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: TMP_C_3(1CY2) / Model_4(1CY2/A) = [4.4]	Download	1067.74	0.23	MANTSRSASQSTASSASAAHKRALVIVESPAKAKTINKYLGSQYIVKSSVGHVRDLPTGGSKATEKKPAARTKLTEAEKEQKANQALINRMGVDPEHGWQAHYEVLSGKENVVAELKKLAKDADAIYLATDLDREGEAIAWHLREVIGGDDSRYHRVVFNEITKNAIQEAFKQPTRLDLNRVNAQQARRFLDRVVGFMVSPLLWEKIARGLSAGRVQSVAVKLVVEREREIRAFIPEEYWQVFADTKAKKDDIRLEAVKQAGKTLKLKNKAETDALLDVLKGAEYKVAQREDKPTKVNPSAPYITSTLQQAASTRLGFSVKKTMMLAQRLYEAGFITYMRTDSTFLSDDAVSMVRAHIESQYGEKYLPAKPNRYGNKAGAQEAHEAIRPSNVALTGDQLAGVERDAQRLYDLIWRQFVACQMTPAEYLSSTLTVEAGNVELKAKGRTLVFDGFTKVRGANKSDDDIILPAIKVGEILKLEKLDPSQHFTKPPARFTEASLVKELEKRGIGRPSTYAAIISTIQERGYVKLENRRLFAEKMGEIVTDRLDESFNNLMNYAFTADLEGQLDRVATGERNWKELLDTFYGDFKKRLTNAQGEQGMRRNQPVEVPAVHCPECSRPMQIRTGTTGVFLGCSGYNLPPKERCKGTLNLTPVESLAALSDDDSAETADLMSKHRCPKCGTAMDSYVIDGGRKLHVCGNNPDCDGYELEEGEFKIKGYDGPTIPCDKCDGEMQLKTGRFGPYFACTSCDNTRKVLKNGQPAPPRVEPIKMEHLRSTKHDDYFVLRDGAAGLFLAASKFPKIRETRAPKVAELRSVADQLDPKYQFILQAPDVDPEGNPTIVKFSRKNQSQYVGSETPEGKQTKWSLIYQDGKWIEG
Complex: T3P_C_3(1CY8) / Model_6(1CY8/A) = [4.4]	Download	882.67	-0.82	MANTSRSASQSTASSASAAHKRALVIVESPAKAKTINKYLGSQYIVKSSVGHVRDLPTGGSKATEKKPAARTKLTEAEKEQKANQALINRMGVDPEHGWQAHYEVLSGKENVVAELKKLAKDADAIYLATDLDREGEAIAWHLREVIGGDDSRYHRVVFNEITKNAIQEAFKQPTRLDLNRVNAQQARRFLDRVVGFMVSPLLWEKIARGLSAGRVQSVAVKLVVEREREIRAFIPEEYWQVFADTKAKKDDIRLEAVKQAGKTLKLKNKAETDALLDVLKGAEYKVAQREDKPTKVNPSAPYITSTLQQAASTRLGFSVKKTMMLAQRLYEAGFITYMRTDSTFLSDDAVSMVRAHIESQYGEKYLPAKPNRYGNKAGAQEAHEAIRPSNVALTGDQLAGVERDAQRLYDLIWRQFVACQMTPAEYLSSTLTVEAGNVELKAKGRTLVFDGFTKVRGANKSDDDIILPAIKVGEILKLEKLDPSQHFTKPPARFTEASLVKELEKRGIGRPSTYAAIISTIQERGYVKLENRRLFAEKMGEIVTDRLDESFNNLMNYAFTADLEGQLDRVATGERNWKELLDTFYGDFKKRLTNAQGEQGMRRNQPVEVPAVHCPECSRPMQIRTGTTGVFLGCSGYNLPPKERCKGTLNLTPVESLAALSDDDSAETADLMSKHRCPKCGTAMDSYVIDGGRKLHVCGNNPDCDGYELEEGEFKIKGYDGPTIPCDKCDGEMQLKTGRFGPYFACTSCDNTRKVLKNGQPAPPRVEPIKMEHLRSTKHDDYFVLRDGAAGLFLAASKFPKIRETRAPKVAELRSVADQLDPKYQFILQAPDVDPEGNPTIVKFSRKNQSQYVGSETPEGKQTKWSLIYQDGKWIEG
Consensus [pKd Mean = 4.40]	-	975 (s=92)	0 (s=0)	MANTSRSASQSTASSASAAHKRALVIVESPAKAKTINKYLGSQYIVKSSVGHVRDLPTGGSKATEKKPAARTKLTEAEKEQKANQALINRMGVDPEHGWQAHYEVLSGKENVVAELKKLAKDADAIYLATDLDREGEAIAWHLREVIGGDDSRYHRVVFNEITKNAIQEAFKQPTRLDLNRVNAQQARRFLDRVVGFMVSPLLWEKIARGLSAGRVQSVAVKLVVEREREIRAFIPEEYWQVFADTKAKKDDIRLEAVKQAGKTLKLKNKAETDALLDVLKGAEYKVAQREDKPTKVNPSAPYITSTLQQAASTRLGFSVKKTMMLAQRLYEAGFITYMRTDSTFLSDDAVSMVRAHIESQYGEKYLPAKPNRYGNKAGAQEAHEAIRPSNVALTGDQLAGVERDAQRLYDLIWRQFVACQMTPAEYLSSTLTVEAGNVELKAKGRTLVFDGFTKVRGANKSDDDIILPAIKVGEILKLEKLDPSQHFTKPPARFTEASLVKELEKRGIGRPSTYAAIISTIQERGYVKLENRRLFAEKMGEIVTDRLDESFNNLMNYAFTADLEGQLDRVATGERNWKELLDTFYGDFKKRLTNAQGEQGMRRNQPVEVPAVHCPECSRPMQIRTGTTGVFLGCSGYNLPPKERCKGTLNLTPVESLAALSDDDSAETADLMSKHRCPKCGTAMDSYVIDGGRKLHVCGNNPDCDGYELEEGEFKIKGYDGPTIPCDKCDGEMQLKTGRFGPYFACTSCDNTRKVLKNGQPAPPRVEPIKMEHLRSTKHDDYFVLRDGAAGLFLAASKFPKIRETRAPKVAELRSVADQLDPKYQFILQAPDVDPEGNPTIVKFSRKNQSQYVGSETPEGKQTKWSLIYQDGKWIEG

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	132	CD2	1	2	1[O],
LEU	132	CG	2	2	1[O], 1[C],
LEU	132	O	9	2	4[O], 5[C],
LEU	132	CB	2	2	1[C], 1[O],
LEU	132	CA	2	2	1[C], 1[O],
LEU	132	CD1	5	2	2[O], 3[C],
LEU	132	C	3	2	2[C], 1[O],
ASP	133	C	16	2	1[N], 12[C], 3[O],
ASP	133	O	7	2	6[C], 1[O],
ASP	133	CA	18	2	12[C], 4[O], 2[N],
ASP	133	OD1	8	2	1[O], 6[C], 1[N],
ASP	133	CB	22	2	2[N], 3[O], 17[C],
ASP	133	N	7	2	5[C], 2[O],
ASP	133	OD2	14	2	1[N], 4[O], 9[C],
ASP	133	CG	13	2	10[C], 2[O], 1[N],
ARG	134	CB	30	2	19[C], 7[O], 4[N],
ARG	134	CA	24	2	3[N], 15[C], 6[O],
ARG	134	CD	37	2	2[P], 19[C], 12[O], 4[N],
ARG	134	NE	37	2	2[P], 17[C], 14[O], 4[N],
ARG	134	CZ	33	2	14[O], 14[C], 2[P], 3[N],
ARG	134	CG	39	2	2[P], 19[C], 14[O], 4[N],
ARG	134	C	14	2	2[N], 2[O], 10[C],
ARG	134	O	3	2	3[C],
ARG	134	N	30	2	3[N], 19[C], 8[O],
GLU	135	N	16	2	2[N], 10[C], 4[O],
GLU	135	CB	11	2	2[O], 7[C], 2[N],
GLU	135	CG	6	2	1[O], 5[C],
GLU	135	OE2	4	2	3[C], 1[O],
GLU	135	OE1	6	2	1[O], 4[C], 1[N],
GLU	135	CA	10	2	2[N], 1[O], 7[C],
GLU	135	CD	4	2	3[C], 1[O],
GLU	135	C	5	2	1[O], 4[C],
GLY	136	N	3	2	3[C],
ASP	178	OD2	1	2	1[O],
ARG	181	CG	9	2	2[P], 7[O],
ARG	181	N	1	2	1[O],
ARG	181	CB	4	2	2[P], 2[O],
ARG	181	CZ	18	2	2[P], 6[C], 10[O],
ARG	181	CD	11	2	8[O], 1[C], 2[P],
ARG	181	NE	17	2	2[P], 6[C], 9[O],
ARG	181	CA	2	2	2[O],
ALA	184	O	1	2	1[O],
ALA	184	C	1	2	1[O],
GLN	185	CB	5	2	2[C], 2[O], 1[N],
GLN	185	N	1	2	1[O],
GLN	185	CA	4	2	1[O], 2[C], 1[N],
GLN	185	CG	5	2	1[N], 3[C], 1[O],
GLN	185	OE1	11	2	2[N], 3[O], 6[C],
GLN	185	CD	11	2	6[C], 3[O], 2[N],
GLN	185	O	1	2	1[N],
GLN	185	NE2	16	2	3[N], 4[O], 9[C],
ARG	188	CD	10	2	4[C], 3[O], 3[N],
ARG	188	NE	15	2	3[O], 9[C], 3[N],
ARG	188	CZ	14	2	3[N], 7[C], 4[O],
ARG	188	CG	6	2	1[N], 3[O], 2[C],
ARG	188	CB	4	2	1[N], 2[O], 1[C],
TYR	338	CZ	1	2	1[O],
TYR	338	CE2	2	2	1[C], 1[O],
TYR	338	CD2	1	2	1[O],
ARG	340	CG	1	2	1[C],
ARG	340	O	3	2	2[O], 1[C],
ARG	340	C	1	2	1[O],
ARG	340	CB	1	2	1[O],
ARG	340	CZ	2	2	2[C],
ARG	340	CD	4	2	4[C],
ARG	340	NE	2	2	2[C],
THR	341	CA	1	2	1[O],
ASP	342	CG	1	2	1[O],
ASP	342	OD2	2	2	1[C], 1[O],
ASP	342	OD1	1	2	1[O],
HIS	384	CD2	7	2	3[O], 3[C], 1[P],
HIS	384	CE1	15	2	7[O], 6[C], 2[P],
HIS	384	CG	3	2	2[C], 1[O],
HIS	384	ND1	8	2	5[O], 3[C],
HIS	384	NE2	15	2	8[O], 5[C], 2[P],
ARG	511	CD	10	2	5[C], 3[O], 2[N],
ARG	511	CZ	8	2	2[N], 4[C], 2[O],
ARG	511	CB	13	2	6[C], 4[O], 3[N],
ARG	511	CA	3	2	1[N], 1[O], 1[C],
ARG	511	NE	10	2	2[N], 2[O], 6[C],
ARG	511	CG	16	2	3[N], 9[C], 4[O],
ARG	511	C	1	2	1[N],
PRO	512	CG	3	2	1[C], 2[O],
PRO	512	CB	2	2	2[O],
PRO	512	N	1	2	1[C],
PRO	512	CD	9	2	3[O], 4[C], 2[N],
SER	513	OG	25	2	4[N], 15[C], 6[O],
SER	513	CA	11	2	2[O], 8[C], 1[N],
SER	513	N	13	2	3[N], 1[O], 9[C],
SER	513	O	7	2	1[N], 4[C], 2[O],
SER	513	CB	19	2	4[N], 3[O], 12[C],
SER	513	C	9	2	2[O], 6[C], 1[N],
THR	514	N	1	2	1[O],
THR	514	CB	1	2	1[O],
THR	514	CG2	11	2	3[O], 5[C], 3[N],
GLU	565	CD	1	2	1[O],
GLU	565	OE1	6	2	1[N], 2[C], 3[O],
LEU	568	CD1	1	2	1[O],
LEU	568	CB	1	2	1[O],
ASP	569	CA	2	2	2[O],
ASP	569	C	1	2	1[O],
ASP	569	O	2	2	2[O],
ASP	569	OD2	1	2	1[O],
ASP	569	CB	2	2	2[O],
ASP	569	CG	8	2	4[C], 4[O],
ASP	569	OD1	17	2	7[O], 7[C], 1[P], 2[N],
ALA	572	CA	6	2	2[P], 4[O],
ALA	572	O	6	2	4[O], 2[P],
ALA	572	C	5	2	4[O], 1[P],
ALA	572	CB	10	2	2[P], 8[O],
THR	573	CG2	4	2	2[P], 2[O],
THR	573	N	1	2	1[O],
Total = 112


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