Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 4T5_A_3(4ZY5) / Model_20(4ZY5/A) = [6.0]	Download	1212.68	14.93	MIRNATIPAYIQSSPNHSNHNNMSLSLSLQKQKDANADGEDYADGRRILMHNPLKGHLFSSTSDSSLHSSIGQPEMIAAASSSVQKGSSGAGNRLDTALGFCGEETAQGLVAEQVEGPCDEKHVNLIEVRAIDSDDDPSSLEEQEHQVCCTIPSLPAVAFIMCFGAIIVGLLGFLPFYFVGVQSNAHTTEYLLSEAMKGVASITQNSLAMLPAFVHIVTFNYIKRHNTTLEETNLPQDPDQLLVSLLTVLTRFNEAISYLRFVYEGGLYTNAGYTDPKPTDANQTRKIYGGYSRTHNTVPMLEMYNESVTAVEPPNVLGYFDFHREVTLPEGAMNQIVKTWVADPQNNTRWLLASDNTTPTYFNFVMPFTVNGSLGYFAAGSSSDTIIEETTTLVSFLRKNGRIFLVDATRNIVVGNSWNQSVQSRTEDSAIGATIYTPTRIYEITEPIILAAMQVVNESGSLTEVLKDKDTALITFRYKGNNAFLNLTKVKDSYGLDLVLGVVVVRADFEKAFSTARTAAFTVTVLVVVIAAVVAVVIAWFVVREMKRLIPQLIRASNLEVSRGDGKDHRVQGWLAYITEIRGIHEAFVRVERSLREMRTFVPAAVMTLAPSDGSHSDADLADGKTRRVRTRFNANIVKDNTNEFSRVDVAMVLVDVHRAMDTTEACFIMDIISQRAEEYTGYIESVSSSSFFVNFGTQSQNPLVVSKICRFALEVYQSVPDFMRNRVVCFAVRMPFLVGTCGARHSKARVVFDTQRMLDISKVLWDIGCHVASTTDTLSHFATSSAQIPWYRIDCVRFPDEVSQVTLCELRDPRSSLQDNEDMPKKMGDGLSKMCKGEYKQALMIFDSAHSENVQLKRLRKICIDRIASGDTSKYIHLIQDVYALDATPSNHEDMAVGGGAAMYDYDAGSPAGVATSSGEVCDPSNEPPLLACSSFENGAGMPAPVLSQPAAHASPPVAPHTTPICHSKTSPTPSVTTGGEAAEPSHLTERAVTAAMGPREFPPCGASQVVGASGAGPGLPPFHPRTPGATTTAASVPGSSPPWGARDDNASEAPSFLTNAFVFDSSMASADAVGATVQAADEPQVLRDVNQHEWQVSLYPIGSGAFSFIYLGMSDDGVQVAIKRIPRLHRGIKEEEMVSEVCTCAKLRHPNIVPYISCCVTQSYLAIIMEYMPGGSLHDIIDNFGKLPRTVVRRFMLDIVNGLAYLHESTTHGDVKPHNILLGVDGVCKLSDFGSASDRLTEACCVNEDRLMRGTAVYISPEGARNLPLTSASDIYSLGISFLEMVLGRLPWKWADPESTDELPLRHDHEFVQCLTANAIVVDIPDDLDNDMRELALASCAENPEKRPTAQELLSFAFLI
Complex: 4T3_A_3(4ZY4) / Model_19(4ZY4/A) = [5.6]	Download	1283.38	14.74	MIRNATIPAYIQSSPNHSNHNNMSLSLSLQKQKDANADGEDYADGRRILMHNPLKGHLFSSTSDSSLHSSIGQPEMIAAASSSVQKGSSGAGNRLDTALGFCGEETAQGLVAEQVEGPCDEKHVNLIEVRAIDSDDDPSSLEEQEHQVCCTIPSLPAVAFIMCFGAIIVGLLGFLPFYFVGVQSNAHTTEYLLSEAMKGVASITQNSLAMLPAFVHIVTFNYIKRHNTTLEETNLPQDPDQLLVSLLTVLTRFNEAISYLRFVYEGGLYTNAGYTDPKPTDANQTRKIYGGYSRTHNTVPMLEMYNESVTAVEPPNVLGYFDFHREVTLPEGAMNQIVKTWVADPQNNTRWLLASDNTTPTYFNFVMPFTVNGSLGYFAAGSSSDTIIEETTTLVSFLRKNGRIFLVDATRNIVVGNSWNQSVQSRTEDSAIGATIYTPTRIYEITEPIILAAMQVVNESGSLTEVLKDKDTALITFRYKGNNAFLNLTKVKDSYGLDLVLGVVVVRADFEKAFSTARTAAFTVTVLVVVIAAVVAVVIAWFVVREMKRLIPQLIRASNLEVSRGDGKDHRVQGWLAYITEIRGIHEAFVRVERSLREMRTFVPAAVMTLAPSDGSHSDADLADGKTRRVRTRFNANIVKDNTNEFSRVDVAMVLVDVHRAMDTTEACFIMDIISQRAEEYTGYIESVSSSSFFVNFGTQSQNPLVVSKICRFALEVYQSVPDFMRNRVVCFAVRMPFLVGTCGARHSKARVVFDTQRMLDISKVLWDIGCHVASTTDTLSHFATSSAQIPWYRIDCVRFPDEVSQVTLCELRDPRSSLQDNEDMPKKMGDGLSKMCKGEYKQALMIFDSAHSENVQLKRLRKICIDRIASGDTSKYIHLIQDVYALDATPSNHEDMAVGGGAAMYDYDAGSPAGVATSSGEVCDPSNEPPLLACSSFENGAGMPAPVLSQPAAHASPPVAPHTTPICHSKTSPTPSVTTGGEAAEPSHLTERAVTAAMGPREFPPCGASQVVGASGAGPGLPPFHPRTPGATTTAASVPGSSPPWGARDDNASEAPSFLTNAFVFDSSMASADAVGATVQAADEPQVLRDVNQHEWQVSLYPIGSGAFSFIYLGMSDDGVQVAIKRIPRLHRGIKEEEMVSEVCTCAKLRHPNIVPYISCCVTQSYLAIIMEYMPGGSLHDIIDNFGKLPRTVVRRFMLDIVNGLAYLHESTTHGDVKPHNILLGVDGVCKLSDFGSASDRLTEACCVNEDRLMRGTAVYISPEGARNLPLTSASDIYSLGISFLEMVLGRLPWKWADPESTDELPLRHDHEFVQCLTANAIVVDIPDDLDNDMRELALASCAENPEKRPTAQELLSFAFLI
Consensus [pKd Mean = 5.80]	-	1248 (s=35)	14 (s=0)	MIRNATIPAYIQSSPNHSNHNNMSLSLSLQKQKDANADGEDYADGRRILMHNPLKGHLFSSTSDSSLHSSIGQPEMIAAASSSVQKGSSGAGNRLDTALGFCGEETAQGLVAEQVEGPCDEKHVNLIEVRAIDSDDDPSSLEEQEHQVCCTIPSLPAVAFIMCFGAIIVGLLGFLPFYFVGVQSNAHTTEYLLSEAMKGVASITQNSLAMLPAFVHIVTFNYIKRHNTTLEETNLPQDPDQLLVSLLTVLTRFNEAISYLRFVYEGGLYTNAGYTDPKPTDANQTRKIYGGYSRTHNTVPMLEMYNESVTAVEPPNVLGYFDFHREVTLPEGAMNQIVKTWVADPQNNTRWLLASDNTTPTYFNFVMPFTVNGSLGYFAAGSSSDTIIEETTTLVSFLRKNGRIFLVDATRNIVVGNSWNQSVQSRTEDSAIGATIYTPTRIYEITEPIILAAMQVVNESGSLTEVLKDKDTALITFRYKGNNAFLNLTKVKDSYGLDLVLGVVVVRADFEKAFSTARTAAFTVTVLVVVIAAVVAVVIAWFVVREMKRLIPQLIRASNLEVSRGDGKDHRVQGWLAYITEIRGIHEAFVRVERSLREMRTFVPAAVMTLAPSDGSHSDADLADGKTRRVRTRFNANIVKDNTNEFSRVDVAMVLVDVHRAMDTTEACFIMDIISQRAEEYTGYIESVSSSSFFVNFGTQSQNPLVVSKICRFALEVYQSVPDFMRNRVVCFAVRMPFLVGTCGARHSKARVVFDTQRMLDISKVLWDIGCHVASTTDTLSHFATSSAQIPWYRIDCVRFPDEVSQVTLCELRDPRSSLQDNEDMPKKMGDGLSKMCKGEYKQALMIFDSAHSENVQLKRLRKICIDRIASGDTSKYIHLIQDVYALDATPSNHEDMAVGGGAAMYDYDAGSPAGVATSSGEVCDPSNEPPLLACSSFENGAGMPAPVLSQPAAHASPPVAPHTTPICHSKTSPTPSVTTGGEAAEPSHLTERAVTAAMGPREFPPCGASQVVGASGAGPGLPPFHPRTPGATTTAASVPGSSPPWGARDDNASEAPSFLTNAFVFDSSMASADAVGATVQAADEPQVLRDVNQHEWQVSLYPIGSGAFSFIYLGMSDDGVQVAIKRIPRLHRGIKEEEMVSEVCTCAKLRHPNIVPYISCCVTQSYLAIIMEYMPGGSLHDIIDNFGKLPRTVVRRFMLDIVNGLAYLHESTTHGDVKPHNILLGVDGVCKLSDFGSASDRLTEACCVNEDRLMRGTAVYISPEGARNLPLTSASDIYSLGISFLEMVLGRLPWKWADPESTDELPLRHDHEFVQCLTANAIVVDIPDDLDNDMRELALASCAENPEKRPTAQELLSFAFLI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	1104	CG1	24	2	1[S], 8[N], 15[C],
ILE	1104	C	27	2	1[S], 8[N], 18[C],
ILE	1104	O	37	2	1[S], 9[N], 27[C],
ILE	1104	CB	23	2	1[S], 7[N], 15[C],
ILE	1104	CA	19	2	1[S], 6[N], 12[C],
ILE	1104	CD1	13	2	1[S], 2[N], 10[C],
ILE	1104	CG2	29	2	1[S], 11[N], 17[C],
ILE	1104	N	10	2	3[N], 7[C],
GLY	1105	C	19	2	5[N], 14[C],
GLY	1105	O	13	2	3[N], 10[C],
GLY	1105	CA	24	2	6[N], 18[C],
GLY	1105	N	21	2	1[S], 6[N], 14[C],
SER	1106	CB	3	2	1[N], 2[C],
SER	1106	CA	11	2	3[N], 8[C],
SER	1106	N	17	2	5[N], 12[C],
SER	1106	C	10	2	2[N], 8[C],
SER	1106	O	8	2	2[N], 6[C],
GLY	1107	C	3	2	1[N], 2[C],
GLY	1107	CA	8	2	1[N], 7[C],
GLY	1107	N	13	2	3[N], 10[C],
GLY	1107	O	3	2	1[N], 2[C],
SER	1110	OG	4	2	4[C],
PHE	1111	O	4	2	4[C],
PHE	1111	C	6	2	1[N], 5[C],
PHE	1111	CA	1	2	1[C],
ILE	1112	CB	46	2	1[S], 12[N], 33[C],
ILE	1112	CG2	45	2	1[S], 12[N], 32[C],
ILE	1112	CD1	46	2	1[S], 13[N], 32[C],
ILE	1112	CA	27	2	6[N], 21[C],
ILE	1112	C	17	2	4[N], 13[C],
ILE	1112	N	14	2	3[N], 11[C],
ILE	1112	O	11	2	3[N], 8[C],
ILE	1112	CG1	46	2	14[N], 32[C],
TYR	1113	CA	2	2	2[C],
TYR	1113	N	13	2	2[N], 11[C],
TYR	1113	C	10	2	10[C],
TYR	1113	O	25	2	8[N], 17[C],
GLN	1122	O	1	2	1[N],
VAL	1123	C	12	2	4[N], 8[C],
VAL	1123	CB	1	2	1[N],
VAL	1123	O	12	2	4[N], 8[C],
VAL	1123	CA	6	2	4[N], 2[C],
ALA	1124	N	18	2	6[N], 12[C],
ALA	1124	CA	21	2	7[N], 14[C],
ALA	1124	C	18	2	6[N], 12[C],
ALA	1124	CB	30	2	1[S], 9[N], 20[C],
ALA	1124	O	16	2	4[N], 12[C],
ILE	1125	N	16	2	4[N], 12[C],
ILE	1125	O	10	2	10[C],
ILE	1125	CA	12	2	2[N], 10[C],
ILE	1125	CB	3	2	3[C],
ILE	1125	C	12	2	2[N], 10[C],
LYS	1126	CE	12	2	12[C],
LYS	1126	CB	14	2	14[C],
LYS	1126	CA	9	2	9[C],
LYS	1126	O	1	2	1[C],
LYS	1126	N	12	2	2[N], 10[C],
LYS	1126	NZ	16	2	1[N], 15[C],
LYS	1126	CG	11	2	11[C],
LYS	1126	C	4	2	4[C],
LYS	1126	CD	15	2	15[C],
ARG	1133	N	2	2	2[C],
GLU	1143	CD	2	2	2[C],
GLU	1143	OE1	6	2	6[C],
VAL	1156	CA	10	2	4[N], 6[C],
VAL	1156	CB	16	2	4[N], 12[C],
VAL	1156	O	8	2	2[N], 6[C],
VAL	1156	N	4	2	2[C], 2[N],
VAL	1156	CG1	19	2	7[N], 12[C],
VAL	1156	CG2	21	2	7[N], 14[C],
VAL	1156	C	9	2	3[N], 6[C],
PRO	1157	CD	3	2	3[N],
PRO	1157	C	3	2	1[N], 2[C],
PRO	1157	O	8	2	2[N], 6[C],
PRO	1157	N	5	2	2[N], 3[C],
ILE	1170	CB	4	2	4[C],
ILE	1170	CG2	6	2	6[C],
ILE	1170	O	6	2	6[C],
ILE	1170	C	5	2	5[C],
ILE	1171	CA	3	2	3[C],
ILE	1171	O	3	2	3[C],
ILE	1171	C	10	2	2[N], 8[C],
MET	1172	O	16	2	4[N], 12[C],
MET	1172	SD	18	2	4[N], 14[C],
MET	1172	CG	15	2	4[N], 11[C],
MET	1172	CA	15	2	4[N], 11[C],
MET	1172	N	14	2	4[N], 10[C],
MET	1172	CE	14	2	2[N], 12[C],
MET	1172	CB	16	2	4[N], 12[C],
MET	1172	C	16	2	4[N], 12[C],
GLU	1173	CG	14	2	4[N], 10[C],
GLU	1173	O	22	2	8[N], 14[C],
GLU	1173	C	20	2	6[N], 14[C],
GLU	1173	OE2	4	2	4[N],
GLU	1173	OE1	2	2	2[N],
GLU	1173	CA	16	2	4[N], 12[C],
GLU	1173	N	16	2	4[N], 12[C],
GLU	1173	CD	6	2	4[N], 2[C],
GLU	1173	CB	11	2	4[N], 7[C],
TYR	1174	CD1	35	2	1[S], 11[N], 23[C],
TYR	1174	CA	25	2	1[S], 8[N], 16[C],
TYR	1174	N	20	2	6[N], 14[C],
TYR	1174	CE1	34	2	1[S], 12[N], 21[C],
TYR	1174	CE2	23	2	1[S], 8[N], 14[C],
TYR	1174	CB	22	2	1[S], 8[N], 13[C],
TYR	1174	CG	24	2	1[S], 8[N], 15[C],
TYR	1174	O	18	2	1[S], 6[N], 11[C],
TYR	1174	C	23	2	1[S], 8[N], 14[C],
TYR	1174	CZ	27	2	1[S], 10[N], 16[C],
TYR	1174	CD2	20	2	1[S], 7[N], 12[C],
MET	1175	CB	29	2	1[S], 9[N], 19[C],
MET	1175	O	35	2	1[S], 12[N], 22[C],
MET	1175	CE	8	2	2[C], 6[N],
MET	1175	CG	23	2	1[S], 8[N], 14[C],
MET	1175	SD	16	2	7[N], 9[C],
MET	1175	CA	27	2	1[S], 8[N], 18[C],
MET	1175	N	30	2	1[S], 8[N], 21[C],
MET	1175	C	29	2	1[S], 10[N], 18[C],
PRO	1176	CA	25	2	1[S], 10[N], 14[C],
PRO	1176	O	21	2	1[S], 8[N], 12[C],
PRO	1176	C	21	2	1[S], 8[N], 12[C],
PRO	1176	CD	14	2	1[S], 6[N], 7[C],
PRO	1176	CG	11	2	1[S], 4[N], 6[C],
PRO	1176	N	25	2	1[S], 9[N], 15[C],
PRO	1176	CB	15	2	1[S], 4[N], 10[C],
GLY	1177	O	16	2	1[S], 6[N], 9[C],
GLY	1177	N	19	2	1[S], 7[N], 11[C],
GLY	1177	C	20	2	1[S], 7[N], 12[C],
GLY	1177	CA	15	2	1[S], 4[N], 10[C],
GLY	1178	O	30	2	1[S], 10[N], 19[C],
GLY	1178	N	26	2	1[S], 10[N], 15[C],
GLY	1178	CA	31	2	1[S], 10[N], 20[C],
GLY	1178	C	34	2	1[S], 10[N], 23[C],
SER	1179	N	36	2	1[S], 10[N], 25[C],
SER	1179	CB	34	2	1[S], 10[N], 23[C],
SER	1179	OG	31	2	1[S], 8[N], 22[C],
SER	1179	O	8	2	1[N], 7[C],
SER	1179	C	23	2	6[N], 17[C],
SER	1179	CA	35	2	1[S], 10[N], 24[C],
LEU	1180	N	6	2	2[N], 4[C],
HIS	1181	CG	2	2	1[N], 1[C],
HIS	1181	CB	5	2	1[N], 4[C],
ASP	1182	CG	6	2	2[N], 4[C],
ASP	1182	OD1	1	2	1[C],
ASP	1182	OD2	14	2	1[S], 3[N], 10[C],
ASP	1182	CB	1	2	1[C],
ASP	1217	O	1	2	1[N],
ASP	1217	OD2	1	2	1[N],
ASP	1217	CG	1	2	1[N],
LYS	1219	CG	2	2	2[N],
LYS	1219	CE	4	2	2[C], 2[N],
LYS	1219	C	1	2	1[N],
LYS	1219	CD	2	2	2[N],
LYS	1219	NZ	3	2	1[C], 2[N],
LYS	1219	O	3	2	1[C], 2[N],
PRO	1220	C	7	2	2[N], 5[C],
PRO	1220	O	8	2	2[N], 6[C],
HIS	1221	ND1	10	2	2[N], 8[C],
HIS	1221	CE1	7	2	2[N], 5[C],
HIS	1221	CG	9	2	2[N], 7[C],
HIS	1221	C	16	2	3[N], 13[C],
HIS	1221	N	8	2	2[N], 6[C],
HIS	1221	CD2	6	2	2[N], 4[C],
HIS	1221	CA	14	2	3[N], 11[C],
HIS	1221	O	21	2	7[N], 14[C],
HIS	1221	CB	13	2	2[N], 11[C],
HIS	1221	NE2	3	2	1[C], 2[N],
ASN	1222	CG	11	2	2[N], 9[C],
ASN	1222	CB	9	2	2[N], 7[C],
ASN	1222	N	13	2	3[N], 10[C],
ASN	1222	C	11	2	2[N], 9[C],
ASN	1222	O	8	2	2[N], 6[C],
ASN	1222	ND2	7	2	2[N], 5[C],
ASN	1222	CA	13	2	3[N], 10[C],
ASN	1222	OD1	13	2	3[N], 10[C],
ILE	1223	O	20	2	7[N], 13[C],
ILE	1223	C	14	2	4[N], 10[C],
ILE	1223	N	11	2	2[N], 9[C],
ILE	1223	CA	5	2	2[N], 3[C],
LEU	1224	CD2	49	2	1[S], 14[N], 34[C],
LEU	1224	CA	35	2	1[S], 11[N], 23[C],
LEU	1224	N	27	2	11[N], 16[C],
LEU	1224	CG	48	2	1[S], 14[N], 33[C],
LEU	1224	CB	46	2	1[S], 13[N], 32[C],
LEU	1224	C	18	2	8[N], 10[C],
LEU	1224	CD1	48	2	1[S], 14[N], 33[C],
LEU	1224	O	6	2	2[C], 4[N],
LEU	1225	CA	8	2	1[S], 4[N], 3[C],
LEU	1225	C	11	2	1[S], 4[N], 6[C],
LEU	1225	N	20	2	1[S], 9[N], 10[C],
LEU	1225	O	19	2	1[S], 8[N], 10[C],
GLY	1226	N	2	2	2[N],
LYS	1232	CB	2	2	2[N],
LYS	1232	CD	3	2	3[N],
LEU	1233	C	2	2	2[C],
LEU	1233	O	2	2	2[C],
SER	1234	CA	12	2	1[N], 11[C],
SER	1234	C	9	2	2[N], 7[C],
SER	1234	O	6	2	1[N], 5[C],
SER	1234	N	6	2	1[N], 5[C],
SER	1234	CB	30	2	8[N], 22[C],
SER	1234	OG	34	2	9[N], 25[C],
ASP	1235	N	14	2	2[N], 12[C],
ASP	1235	CA	9	2	2[N], 7[C],
ASP	1235	OD2	8	2	2[N], 6[C],
ASP	1235	CB	11	2	2[N], 9[C],
ASP	1235	CG	8	2	2[N], 6[C],
ASP	1235	OD1	4	2	1[N], 3[C],
ASP	1235	C	2	2	1[N], 1[C],
ASP	1235	O	1	2	1[N],
Total = 210


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