Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: G6I_A_3(4EQU) / Model_9(4EQU/A) = [11.3] Download1528.7123.56MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA
Complex: B6E_B_9(6EIM) / Model_42(6EIM/B) = [10.7] Download1245.5127.54MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA
Complex: 274_A_10(2J7T) / Model_7(2J7T/A) = [8.5] Download1323.9126.27MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA
Complex: 6UI_A_3(4USF) / Model_16(4USF/A) = [7.3] Download579.7933.58MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA
Complex: 5BS_A_3(5DH3) / Model_2(5DH3/A) = [6.6] Download847.8410.43MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA
Consensus
[pKd Mean = 8.88]		-1105
(s=343)		24
(s=7)		MMKPSALDRIHVREDDPKELFEIVESVGIGNFGVVLKARNRATDDIVAIKQVPLSDTDKEDLDTIVKEVEILQECDHPNIVRFYGTYHSMGVLWIVMEYCEGGSVDTAYDLLRRPLSEPLIAYVCRQTLLGLRYLHERHVIHRDIKGSNLLLTKNGQVKLADFGVSTELKHTLSRRNSFIGTALWMAPEALTEKDYDSRADMWSLGITTIELAEGQPPYLGMHIARAVFFIPLNDPPTLQAKERWSPQMNMFIRRLLTKDKELRPSAATMLMDPFVDPSAVASQEEMAAVVEQLLTRRRSMDERRDGNNKGSNTSAMTIVTRTSSVVGAIEGAGEEEGEGVAAIPTDEAAAQWIDEHVAPQRRASPAAGRVVARGGGGAVAAGAAAGDRGAPLGGRLMLLPLLHLEDMSFDALNGGGRTLFCGSTAGVSGCAGTVGGATLSSGGAANGAAGGGPRVGGPGAAQAALDGAYTGDGNGSTTMMASVNRYCHPSHLLPTSGGGGVTPMVSAFPPVYGPPSHEARMAAAAAHGDALAESLHLLGYSAEGVSPLYLRCFETTTLNTVREVFLYNQYLPYTRAVSEAEAKHAQRMKLLCGTVLKNVYAATCESTRNA



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
GLU25CD22104[O], 1[N], 17[C],
GLU25OE19102[N], 7[C],
GLU25O6101[S], 1[O], 1[N], 3[C],
GLU25OE241102[S], 6[O], 6[N], 27[C],
GLU25CG1101[N],
SER26CA3101[O], 1[N], 1[C],
SER26O63103[S], 6[O], 12[N], 42[C],
SER26N1101[N],
SER26OG3102[N], 1[C],
SER26C59103[S], 6[O], 39[C], 11[N],
SER26CB1101[N],
VAL27C162102[F], 3[S], 14[O], 30[N], 113[C],
VAL27CB212102[F], 3[S], 17[O], 47[N], 143[C],
VAL27CG2205102[F], 3[S], 13[O], 47[N], 140[C],
VAL27CA164102[F], 3[S], 13[O], 33[N], 113[C],
VAL27N113101[F], 3[S], 9[O], 23[N], 77[C],
VAL27CG1228103[F], 5[S], 18[O], 48[N], 153[C], 1[P],
VAL27O148101[F], 3[S], 14[O], 27[N], 103[C],
GLY28O50102[F], 1[S], 8[O], 9[N], 29[C], 1[P],
GLY28CA110102[F], 4[S], 11[O], 19[N], 73[C], 1[P],
GLY28C67102[F], 2[S], 11[O], 12[N], 38[C], 2[P],
GLY28N135102[F], 3[S], 12[O], 28[N], 89[C], 1[P],
ILE29CG29103[O], 5[C], 1[P],
ILE29CA34101[F], 1[S], 9[O], 4[N], 17[C], 2[P],
ILE29C40101[S], 10[O], 5[N], 21[C], 3[P],
ILE29CB15105[O], 8[C], 2[P],
ILE29CG19105[O], 3[C], 1[P],
ILE29CD12101[O], 1[P],
ILE29N55101[F], 1[S], 11[O], 8[N], 32[C], 2[P],
ILE29O44101[S], 12[O], 6[N], 22[C], 3[P],
GLY30N39102[F], 1[S], 11[O], 4[N], 19[C], 2[P],
GLY30O25101[S], 9[O], 2[N], 10[C], 3[P],
GLY30CA38101[F], 1[S], 10[O], 4[N], 19[C], 3[P],
GLY30C30101[S], 9[O], 3[N], 14[C], 3[P],
ASN31CB20101[S], 9[O], 2[N], 5[C], 3[P],
ASN31C18109[O], 3[C], 3[N], 3[P],
ASN31OD117109[O], 3[C], 2[N], 3[P],
ASN31CG17109[O], 3[C], 2[N], 3[P],
ASN31O9104[O], 1[C], 1[N], 3[P],
ASN31ND218109[O], 4[C], 2[N], 3[P],
ASN31CA21101[S], 9[O], 2[N], 6[C], 3[P],
ASN31N28101[S], 10[O], 2[N], 12[C], 3[P],
PHE32O19101[F], 3[O], 1[N], 13[C], 1[P],
PHE32CA15105[O], 5[C], 2[N], 3[P],
PHE32N20109[O], 4[C], 4[N], 3[P],
PHE32C13104[O], 1[N], 7[C], 1[P],
PHE32CD214103[O], 1[N], 9[C], 1[P],
PHE32CE115102[N], 13[C],
PHE32CG18104[O], 1[N], 11[C], 2[P],
PHE32CZ11101[N], 10[C],
PHE32CE211101[N], 10[C],
PHE32CD119102[O], 2[N], 15[C],
PHE32CB22107[O], 10[C], 2[N], 3[P],
GLY33N11105[O], 2[N], 3[C], 1[P],
GLY33CA6104[O], 1[N], 1[P],
GLY33C10105[O], 2[N], 2[C], 1[P],
GLY33O29101[F], 1[S], 6[O], 4[N], 15[C], 2[P],
VAL34CG21101[O],
VAL34CB1101[O],
VAL34CA8101[F], 3[O], 3[C], 1[P],
VAL34CG11101[O],
VAL34N3101[O], 1[C], 1[P],
VAL34C40102[F], 6[O], 4[N], 27[C], 1[P],
VAL34O37101[F], 5[O], 4[N], 26[C], 1[P],
VAL35O90101[S], 2[F], 6[O], 19[N], 61[C], 1[P],
VAL35CB189103[F], 4[S], 12[O], 35[N], 133[C], 2[P],
VAL35CG2175103[F], 3[S], 12[O], 30[N], 126[C], 1[P],
VAL35CA121102[F], 1[S], 8[O], 19[N], 90[C], 1[P],
VAL35CG1219103[F], 4[S], 17[O], 44[N], 149[C], 2[P],
VAL35C101102[F], 5[O], 18[N], 75[C], 1[P],
VAL35N75102[F], 1[S], 8[O], 13[N], 50[C], 1[P],
LEU36C71101[S], 1[F], 2[O], 17[N], 50[C],
LEU36O122101[S], 1[F], 5[O], 34[N], 81[C],
LEU36N72102[F], 4[O], 10[N], 56[C],
LEU36CA24101[F], 2[O], 4[N], 17[C],
LYS37CE42102[S], 4[O], 30[C], 6[N],
LYS37CB61101[S], 3[O], 42[C], 15[N],
LYS37CD57101[S], 4[O], 43[C], 9[N],
LYS37CG52101[S], 3[O], 11[N], 37[C],
LYS37CA45101[S], 2[O], 31[C], 11[N],
LYS37N38101[S], 12[N], 25[C],
LYS37NZ39101[S], 4[O], 4[N], 30[C],
ILE46CG11101[O],
ILE46CG230102[O], 14[C], 14[N],
ILE46O13101[O], 8[N], 4[C],
ILE46CB3102[O], 1[N],
ILE46C9102[O], 1[C], 6[N],
ILE46CD14101[O], 1[N], 2[C],
VAL47CG25101[O], 1[N], 3[C],
VAL47CG110101[S], 4[C], 5[N],
VAL47N21102[O], 10[N], 9[C],
VAL47CA53102[O], 18[N], 33[C],
VAL47O86103[O], 25[N], 58[C],
VAL47CB20101[O], 7[N], 12[C],
VAL47C95101[S], 4[O], 28[N], 62[C],
ALA48C145102[F], 2[S], 6[O], 33[N], 102[C],
ALA48CB203103[F], 3[S], 10[O], 43[N], 144[C],
ALA48CA169102[F], 3[S], 6[O], 39[N], 119[C],
ALA48O137102[F], 2[S], 6[O], 26[N], 101[C],
ALA48N130101[S], 1[F], 4[O], 35[N], 89[C],
ILE49CG29109[C],
ILE49O76102[F], 5[O], 10[N], 59[C],
ILE49C80101[S], 1[F], 4[O], 10[N], 64[C],
ILE49CG17107[C],
ILE49CB13101[O], 12[C],
ILE49CA66101[S], 1[F], 3[O], 9[N], 52[C],
ILE49N133101[F], 2[S], 6[O], 27[N], 97[C],
ILE49CD13103[C],
LYS50CB100102[F], 2[S], 9[O], 14[N], 72[C], 1[P],
LYS50CG109102[F], 3[S], 14[O], 15[N], 73[C], 2[P],
LYS50CA78101[S], 2[F], 7[O], 9[N], 58[C], 1[P],
LYS50N81101[S], 2[F], 4[O], 10[N], 64[C],
LYS50NZ121104[F], 3[S], 17[O], 14[N], 80[C], 3[P],
LYS50CD114104[F], 3[S], 16[O], 15[N], 73[C], 3[P],
LYS50C29101[F], 2[O], 2[N], 24[C],
LYS50O23101[F], 1[O], 21[C],
LYS50CE116103[F], 3[S], 16[O], 13[N], 78[C], 3[P],
GLN51CA2101[O], 1[C],
GLN51O4103[O], 1[P],
GLN51C1101[O],
GLN51N20101[F], 3[O], 15[C], 1[P],
VAL52CG25101[O], 4[C],
THR64O1101[C],
ILE65C1101[C],
ILE65O3101[F], 2[C],
ILE65N1101[C],
ILE65CB2102[C],
ILE65CA2102[C],
ILE65CG24104[C],
ILE65CG12102[C],
ILE65CD12102[C],
LYS67CB1101[F],
LYS67O8101[F], 1[N], 6[C],
LYS67C6101[F], 5[C],
LYS67CA1101[F],
GLU68OE158103[F], 2[S], 5[O], 6[N], 42[C],
GLU68CD51101[F], 1[S], 5[O], 38[C], 6[N],
GLU68CG42103[F], 1[S], 3[O], 30[C], 5[N],
GLU68CB27101[F], 1[O], 3[N], 22[C],
GLU68CA21101[F], 3[N], 17[C],
GLU68C21101[F], 3[N], 17[C],
GLU68O30104[F], 2[O], 3[N], 21[C],
GLU68OE260101[F], 2[S], 4[O], 8[N], 45[C],
GLU68N9101[F], 1[N], 7[C],
VAL69CB3101[O], 2[C],
VAL69C1101[F],
VAL69O1101[C],
VAL69CG26101[O], 5[C],
VAL69CA7101[F], 1[O], 5[C],
VAL69N13101[F], 2[N], 10[C],
VAL69CG12101[O], 1[C],
GLU70C1101[C],
ILE71O21107[F], 1[N], 13[C],
ILE71CA19105[F], 1[N], 13[C],
ILE71CG224107[F], 1[O], 1[N], 15[C],
ILE71CB22107[F], 1[N], 14[C],
ILE71N12103[F], 9[C],
ILE71CD120106[F], 1[N], 13[C],
ILE71CG119105[F], 1[N], 13[C],
ILE71C21107[F], 1[N], 13[C],
LEU72CG54107[F], 2[S], 4[O], 4[N], 37[C],
LEU72O9102[F], 7[C],
LEU72N26107[F], 1[O], 15[C], 3[N],
LEU72CD268107[F], 2[S], 5[O], 6[N], 48[C],
LEU72C14102[F], 12[C],
LEU72CB38106[F], 4[O], 3[N], 25[C],
LEU72CA30107[F], 2[O], 3[N], 18[C],
LEU72CD165106[F], 2[S], 5[O], 6[N], 46[C],
GLN73N2102[F],
GLU74C2102[F],
CYS75CA10106[F], 4[C],
CYS75C4102[F], 2[C],
CYS75N4102[F], 2[C],
CYS75SG19106[F], 13[C],
CYS75O10106[F], 4[C],
CYS75CB18106[F], 12[C],
ASP76N2102[F],
ASN79O6104[F], 2[C],
ASN79C4104[F],
ILE80CD113106[F], 7[C],
ILE80CB15106[F], 1[O], 8[C],
ILE80C17106[F], 2[O], 9[C],
ILE80O7104[F], 3[C],
ILE80CG112106[F], 6[C],
ILE80N6104[F], 2[C],
ILE80CA14106[F], 2[O], 6[C],
ILE80CG224106[F], 2[O], 1[N], 15[C],
VAL81N42101[S], 6[F], 4[O], 7[N], 24[C],
VAL81O37105[F], 4[O], 5[N], 23[C],
VAL81CA68104[F], 2[S], 5[O], 13[N], 44[C],
VAL81CB129105[F], 3[S], 10[O], 26[N], 85[C],
VAL81CG2143108[F], 3[S], 8[O], 25[N], 99[C],
VAL81CG1148106[F], 3[S], 10[O], 28[N], 101[C],
VAL81C44101[S], 4[F], 4[O], 9[N], 26[C],
ARG82CA3103[C],
ARG82N25101[F], 2[O], 5[N], 17[C],
ARG82C9101[O], 3[N], 5[C],
ARG82O30101[S], 2[O], 7[N], 20[C],
PHE83CA5101[O], 4[C],
PHE83CD113101[O], 1[N], 11[C],
PHE83CZ3101[O], 1[C], 1[N],
PHE83N3101[O], 2[C],
PHE83CE112101[O], 11[C],
PHE83CE22102[N],
PHE83CB3101[O], 2[C],
PHE83CG4101[O], 3[C],
TYR84CZ1101[N],
TYR84CE24104[N],
GLY85O6101[O], 5[C],
THR86OG12101[O], 1[C],
LEU93O2102[C],
LEU93CG1101[C],
LEU93CD21101[C],
TRP94C10101[O], 9[C],
TRP94O4101[O], 3[C],
TRP94CA3101[O], 2[C],
ILE95CA23101[O], 22[C],
ILE95CB30101[O], 3[N], 26[C],
ILE95O56101[S], 1[F], 3[O], 7[N], 44[C],
ILE95CG245101[S], 3[O], 35[C], 6[N],
ILE95CD132101[F], 1[O], 3[N], 27[C],
ILE95N17101[O], 16[C],
ILE95C31101[O], 2[N], 28[C],
ILE95CG125101[O], 2[N], 22[C],
VAL96C46101[S], 2[O], 5[N], 38[C],
VAL96CA30101[O], 1[N], 28[C],
VAL96N24101[O], 23[C],
VAL96O29101[O], 2[N], 26[C],
VAL96CG27101[O], 6[C],
VAL96CG17101[O], 6[C],
VAL96CB9101[O], 8[C],
MET97N92101[S], 4[O], 18[N], 69[C],
MET97CB138102[F], 2[S], 10[O], 28[N], 96[C],
MET97C108102[S], 7[O], 21[N], 78[C],
MET97SD147104[F], 3[S], 11[O], 28[N], 101[C],
MET97CG139102[F], 2[S], 8[O], 28[N], 99[C],
MET97CA111102[S], 8[O], 25[N], 76[C],
MET97O113101[S], 6[O], 26[N], 80[C],
MET97CE149105[F], 3[S], 12[O], 26[N], 102[C], 1[P],
GLU98N86101[S], 6[O], 19[N], 60[C],
GLU98C107101[S], 5[O], 32[N], 69[C],
GLU98CD22102[O], 9[N], 11[C],
GLU98CG46103[O], 15[N], 28[C],
GLU98OE210101[O], 6[N], 3[C],
GLU98CB40102[O], 16[N], 22[C],
GLU98OE112106[N], 6[C],
GLU98O141101[F], 2[S], 6[O], 37[N], 95[C],
GLU98CA69101[S], 4[O], 19[N], 45[C],
TYR99CD2112101[S], 4[O], 30[N], 77[C],
TYR99CG127101[S], 5[O], 32[N], 89[C],
TYR99CZ138103[S], 7[O], 36[N], 92[C],
TYR99CD1154102[S], 7[O], 38[N], 107[C],
TYR99C121102[S], 5[O], 33[N], 81[C],
TYR99CB106101[S], 5[O], 30[N], 70[C],
TYR99O91101[S], 3[O], 29[N], 58[C],
TYR99CE2119101[S], 5[O], 32[N], 81[C],
TYR99N99101[S], 4[O], 31[N], 63[C],
TYR99CE1163103[S], 10[O], 44[N], 106[C],
TYR99CA125102[S], 7[O], 36[N], 80[C],
CYS100CA140102[S], 5[O], 37[N], 96[C],
CYS100O177104[S], 12[O], 44[N], 117[C],
CYS100SG140102[S], 1[F], 7[O], 37[N], 93[C],
CYS100N156102[S], 6[O], 38[N], 110[C],
CYS100C146102[S], 8[O], 38[N], 98[C],
CYS100CB159102[S], 1[F], 8[O], 38[N], 110[C],
GLU101N121101[S], 5[O], 32[N], 83[C],
GLU101O112103[S], 11[O], 71[C], 27[N],
GLU101C118103[S], 11[O], 76[C], 28[N],
GLU101OE29101[S], 1[O], 5[C], 2[N],
GLU101CG43101[S], 3[O], 28[C], 11[N],
GLU101CD14103[O], 9[C], 2[N],
GLU101CA116103[S], 8[O], 29[N], 76[C],
GLU101OE117104[O], 4[N], 9[C],
GLU101CB63101[S], 4[O], 42[C], 16[N],
GLY102C123103[S], 11[O], 80[C], 29[N],
GLY102O105103[S], 9[O], 72[C], 21[N],
GLY102N108103[S], 10[O], 69[C], 26[N],
GLY102CA101103[S], 10[O], 63[C], 25[N],
GLY103O155101[F], 3[S], 12[O], 37[N], 102[C],
GLY103C180101[F], 3[S], 14[O], 42[N], 120[C],
GLY103N161103[S], 12[O], 42[N], 104[C],
GLY103CA185101[F], 3[S], 14[O], 46[N], 121[C],
SER104CB160102[F], 4[S], 12[O], 30[N], 111[C], 1[P],
SER104O79103[S], 8[O], 12[N], 56[C],
SER104N189102[F], 4[S], 15[O], 42[N], 126[C],
SER104CA164102[F], 4[S], 11[O], 34[N], 113[C],
SER104C81101[F], 3[S], 6[O], 55[C], 16[N],
SER104OG184103[F], 5[S], 15[O], 34[N], 125[C], 2[P],
VAL105N19101[F], 3[O], 13[C], 2[N],
VAL105C3103[O],
VAL105CA3103[O],
VAL105O1101[O],
ASP106OD122101[F], 4[O], 3[N], 14[C],
ASP106CG14105[O], 1[N], 7[C], 1[P],
ASP106C9104[O], 4[C], 1[N],
ASP106N6103[O], 3[C],
ASP106CA6104[O], 2[C],
ASP106CB9104[O], 4[C], 1[P],
ASP106OD217107[O], 7[C], 2[N], 1[P],
ASP106O4103[O], 1[N],
THR107CA50102[S], 7[O], 10[N], 31[C],
THR107N32101[S], 6[O], 5[N], 20[C],
THR107CB95103[S], 11[O], 65[C], 16[N],
THR107O26102[S], 7[O], 5[N], 12[C],
THR107CG294103[S], 11[O], 14[N], 66[C],
THR107C34102[S], 7[O], 6[N], 19[C],
THR107OG1120103[S], 13[O], 21[N], 83[C],
ALA108CA13101[S], 2[O], 6[C], 4[N],
ALA108CB7101[O], 4[C], 2[N],
ALA108O2101[C], 1[N],
ALA108C4103[C], 1[N],
ALA108N26102[S], 6[O], 5[N], 13[C],
ASP110OD21101[O],
ASP110CB1101[N],
LEU111CG25102[S], 5[O], 6[N], 12[C],
LEU111CD221102[S], 4[O], 4[N], 11[C],
LEU111CD138102[S], 7[O], 6[N], 23[C],
LEU111CA5103[C], 2[N],
LEU111C1101[C],
LEU111N5103[C], 2[N],
LEU111CB12101[S], 2[O], 6[C], 3[N],
GLY131O5104[F], 1[C],
GLY131C1101[F],
LEU132CD23103[F],
TYR134CE22102[F],
TYR134CD23103[F],
LEU135N2102[F],
LEU135C1101[F],
LEU135CA5104[F], 1[C],
LEU135CD115106[F], 9[C],
LEU135CB10106[F], 4[C],
LEU135CD215106[F], 9[C],
LEU135CG13106[F], 7[C],
VAL140CG29104[F], 5[C],
VAL140CA3102[F], 1[C],
VAL140C4102[F], 2[C],
VAL140CB10104[F], 6[C],
VAL140O2102[F],
VAL140CG115106[F], 9[C],
ILE141O15106[F], 9[C],
ILE141N4102[F], 2[C],
ILE141CA4102[F], 2[C],
ILE141C11105[F], 6[C],
HIS142O15105[F], 10[C],
HIS142CE124106[F], 5[O], 13[C],
HIS142N13106[F], 7[C],
HIS142CG18106[F], 12[C],
HIS142CD224106[F], 2[O], 1[N], 15[C],
HIS142NE228106[F], 1[S], 5[O], 1[N], 15[C],
HIS142C11104[F], 7[C],
HIS142CA15106[F], 9[C],
HIS142ND117106[F], 11[C],
HIS142CB15106[F], 9[C],
ARG143N3102[F], 1[C],
ASP144CB6104[O], 1[N], 1[P],
ASP144CA3102[O], 1[P],
ASP144OD212105[O], 3[C], 2[N], 2[P],
ASP144CG6104[O], 1[N], 1[P],
ASP144OD15103[O], 1[N], 1[P],
ASP144C2102[O],
ASP144N1101[O],
ILE145N3102[O], 1[P],
ILE145O1101[O],
ILE145CA2102[O],
ILE145C2102[O],
LYS146CB7104[O], 1[N], 2[P],
LYS146CG10107[O], 1[N], 2[P],
LYS146NZ11107[O], 1[N], 3[P],
LYS146CA5104[O], 1[N],
LYS146CE14107[O], 3[C], 1[N], 3[P],
LYS146C5103[O], 1[N], 1[P],
LYS146N3103[O],
LYS146CD10107[O], 1[N], 2[P],
LYS146O6101[F], 3[O], 1[N], 1[P],
GLY147O15101[F], 4[O], 1[N], 8[C], 1[P],
GLY147N2102[O],
GLY147C9101[F], 3[O], 1[N], 3[C], 1[P],
GLY147CA1101[O],
SER148C69102[F], 1[S], 13[O], 9[N], 41[C], 3[P],
SER148O119103[F], 3[S], 16[O], 18[N], 76[C], 3[P],
SER148CB46101[F], 1[S], 12[O], 2[N], 27[C], 3[P],
SER148CA47101[F], 1[S], 12[O], 3[N], 27[C], 3[P],
SER148N21101[F], 7[O], 2[N], 9[C], 2[P],
SER148OG36101[F], 11[O], 3[N], 18[C], 3[P],
ASN149CA77104[F], 3[S], 15[O], 8[N], 44[C], 3[P],
ASN149CB55104[F], 2[S], 13[O], 4[N], 29[C], 3[P],
ASN149C53104[F], 3[S], 10[O], 4[N], 30[C], 2[P],
ASN149OD1105105[F], 3[S], 18[O], 63[C], 13[N], 3[P],
ASN149O56104[F], 3[S], 8[O], 37[C], 4[N],
ASN149ND242104[F], 2[S], 11[O], 3[N], 19[C], 3[P],
ASN149CG70104[F], 2[S], 14[O], 5[N], 42[C], 3[P],
ASN149N54102[F], 1[S], 12[O], 4[N], 32[C], 3[P],
LEU150N23101[F], 1[S], 3[O], 1[N], 17[C],
LEU150CB1101[F],
LEU150CA8101[F], 1[S], 6[C],
LEU150O27101[F], 1[S], 3[O], 1[N], 21[C],
LEU150C20101[F], 1[S], 1[O], 1[N], 16[C],
LEU151CD2225103[F], 4[S], 21[O], 44[N], 151[C], 2[P],
LEU151CA139101[F], 1[S], 7[O], 37[N], 93[C],
LEU151CB181102[F], 4[S], 11[O], 41[N], 123[C],
LEU151C69101[F], 2[O], 24[N], 42[C],
LEU151CG213103[F], 4[S], 17[O], 44[N], 145[C],
LEU151CD1226103[F], 4[S], 18[O], 46[N], 155[C],
LEU151N88101[F], 1[S], 2[O], 24[N], 60[C],
LEU151O7101[C], 6[N],
LEU152O93101[S], 3[O], 27[N], 62[C],
LEU152CA14101[O], 5[C], 8[N],
LEU152N83101[S], 4[O], 24[N], 54[C],
LEU152C35101[S], 3[O], 18[C], 13[N],
LEU152CB2101[O], 1[C],
THR153CA3101[C], 2[N],
THR153CG21101[N],
LYS159O40101[S], 3[F], 3[O], 9[N], 24[C],
LYS159C12105[F], 2[O], 1[N], 4[C],
LYS159CB241010[N], 14[C],
LYS159CD5104[N], 1[C],
LYS159CA1101[N],
LYS159CG11106[C], 5[N],
LEU160CA20107[F], 3[O], 10[C],
LEU160CB14106[F], 2[O], 6[C],
LEU160O64107[F], 3[S], 6[O], 8[N], 40[C],
LEU160CD214106[F], 8[C],
LEU160CG17106[F], 2[O], 9[C],
LEU160CD113106[F], 1[O], 6[C],
LEU160N13106[F], 2[O], 5[C],
LEU160C64107[F], 3[S], 6[O], 7[N], 41[C],
ALA161O88109[F], 3[S], 10[O], 7[N], 58[C], 1[P],
ALA161CB182109[F], 3[S], 12[O], 32[N], 126[C],
ALA161N91108[F], 3[S], 7[O], 10[N], 63[C],
ALA161CA138109[F], 3[S], 10[O], 21[N], 95[C],
ALA161C115109[F], 3[S], 11[O], 13[N], 78[C], 1[P],
ASP162CB1151010[F], 3[S], 15[O], 11[N], 73[C], 3[P],
ASP162OD199109[F], 3[S], 15[O], 10[N], 59[C], 3[P],
ASP162N1371010[F], 3[S], 13[O], 16[N], 94[C], 1[P],
ASP162CA1181010[F], 3[S], 12[O], 12[N], 80[C], 1[P],
ASP162OD21051010[F], 2[S], 17[O], 59[C], 14[N], 3[P],
ASP162O94108[F], 2[S], 11[O], 9[N], 63[C], 1[P],
ASP162C100108[F], 3[S], 10[O], 8[N], 70[C], 1[P],
ASP162CG1091010[F], 3[S], 17[O], 63[C], 13[N], 3[P],
PHE163CD158101[S], 6[O], 9[N], 42[C],
PHE163CZ56106[O], 11[N], 39[C],
PHE163N83103[F], 3[S], 8[O], 8[N], 61[C],
PHE163CB52101[S], 6[O], 6[N], 39[C],
PHE163CE160101[S], 7[O], 12[N], 40[C],
PHE163C51101[F], 1[S], 5[O], 37[C], 7[N],
PHE163CG53101[S], 5[O], 39[C], 8[N],
PHE163CE253106[O], 11[N], 36[C],
PHE163O36101[F], 5[O], 4[N], 26[C],
PHE163CD248101[S], 6[O], 33[C], 8[N],
PHE163CA61101[F], 1[S], 6[O], 46[C], 7[N],
GLY164O6101[N], 5[C],
GLY164CA25102[O], 20[C], 3[N],
GLY164C11101[F], 1[N], 9[C],
GLY164N47101[F], 1[S], 5[O], 32[C], 8[N],
VAL165CG15101[F], 4[C],
VAL165N16101[F], 2[N], 13[C],
VAL165CB17101[F], 4[O], 2[N], 9[C], 1[P],
VAL165CA15101[F], 3[O], 2[N], 8[C], 1[P],
VAL165C14101[F], 4[O], 1[N], 7[C], 1[P],
VAL165CG215101[F], 4[O], 2[N], 7[C], 1[P],
VAL165O18101[F], 4[O], 8[C], 3[N], 2[P],
SER166CB16101[F], 4[O], 1[N], 9[C], 1[P],
SER166N9101[F], 3[O], 3[C], 1[N], 1[P],
SER166OG10101[O], 1[N], 8[C],
SER166O5101[F], 2[O], 2[C],
SER166C8101[F], 2[O], 5[C],
SER166CA12104[O], 6[C], 1[N], 1[P],
THR167OG18101[F], 1[N], 6[C],
THR167N10102[F], 1[N], 7[C],
THR167O2101[F], 1[C],
THR167C5101[F], 4[C],
THR167CG21101[C],
THR167CA6102[F], 1[N], 3[C],
THR167CB2101[C], 1[N],
GLU168OE213103[F], 1[O], 1[N], 8[C],
GLU168OE113103[F], 1[O], 1[N], 8[C],
GLU168O5101[F], 4[C],
GLU168N9103[F], 6[C],
GLU168CA9103[F], 6[C],
GLU168CG12103[F], 1[O], 7[C], 1[N],
GLU168C7103[F], 4[C],
GLU168CD12103[F], 1[O], 7[C], 1[N],
GLU168CB10103[F], 7[C],
LEU169O1101[C],
LEU169CA2101[F], 1[C],
LEU169N4101[F], 3[C],
LYS170O4101[F], 3[C],
LYS170N3101[F], 2[C],
LYS170CD6101[F], 1[N], 4[C],
LYS170CA4101[F], 3[C],
LYS170C4101[F], 3[C],
LYS170NZ7101[F], 2[N], 4[C],
LYS170CE8101[F], 2[N], 5[C],
LYS170CG6101[F], 1[N], 4[C],
LYS170CB5101[F], 4[C],
LEU173C2102[C],
LEU173N2102[C],
LEU173O3101[F], 2[C],
LEU173CD112104[F], 1[N], 7[C],
LEU173CA3101[F], 2[C],
LEU173CG9102[F], 7[C],
LEU173CB9102[F], 7[C],
LEU173CD26102[F], 4[C],
SER174N2102[C],
SER174OG1101[C],
THR182CG22101[O], 1[N],
TRP185CZ31101[N],
ASP201OD22102[F],
GLU211OE21101[O],
ARG298CZ5101[S], 1[O], 1[N], 2[C],
ARG298CA2101[O], 1[N],
ARG298CG6101[S], 2[O], 1[N], 2[C],
ARG298C3101[S], 1[O], 1[N],
ARG298O4101[S], 2[O], 1[N],
ARG298CD7101[S], 2[O], 1[N], 3[C],
ARG298CB3101[S], 1[O], 1[N],
ARG298NE8101[S], 2[O], 1[N], 4[C],
ARG299CA3101[S], 1[O], 1[N],
ARG299CG1101[O],
ARG299N3101[S], 1[O], 1[N],
ARG299CD1101[O],
ARG299O1101[O],
ARG299CB1101[O],
ARG299C1101[O],
ASP302O2102[O],
ASP302N3101[S], 1[O], 1[N],
ASP302OD17101[S], 2[O], 1[N], 3[C],
ASP302CA4101[S], 2[O], 1[N],
ASP302CB6101[S], 2[O], 1[N], 2[C],
ASP302OD27101[S], 2[O], 1[N], 3[C],
ASP302CG7101[S], 2[O], 1[N], 3[C],
ASP302C3101[S], 2[O],
GLU303N1101[O],
Total = 533



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