Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: SFG_B_6(5GM8) / Model_26(5GM8/B) = [7.2]	Download	747.48	24.48	MSLFDDTAVSKQLAQVRIVMVNTTLPANIGSALRAMKTMGLSKLVLVSPKTYPHPDIQALAAGAQDLLEQVEIVETLEEAIKDCHLVFGTSARSRTIPWPLLDVRPASKEAIKAAAQGQQIAIVFGREDRGLTNEELALANYHLTIPVNSDYGVLNVAQAIQVVCYELRMSVLEQKEVASDAGQMPLAQGQSMQWDEPLVTQQQMEEFYPHLEKVLTEIEFLDPENPRLLPLRLRRLFGRIQLDRMEYHLLRGIFSRVQALTSGKWKKASSDKEDQSNA
Consensus [pKd Mean = 7.20]	-	747 (s=0)	24 (s=0)	MSLFDDTAVSKQLAQVRIVMVNTTLPANIGSALRAMKTMGLSKLVLVSPKTYPHPDIQALAAGAQDLLEQVEIVETLEEAIKDCHLVFGTSARSRTIPWPLLDVRPASKEAIKAAAQGQQIAIVFGREDRGLTNEELALANYHLTIPVNSDYGVLNVAQAIQVVCYELRMSVLEQKEVASDAGQMPLAQGQSMQWDEPLVTQQQMEEFYPHLEKVLTEIEFLDPENPRLLPLRLRRLFGRIQLDRMEYHLLRGIFSRVQALTSGKWKKASSDKEDQSNA

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
THR	90	O	8	1	2[O], 1[N], 5[C],
THR	90	OG1	11	1	6[C], 2[N], 3[O],
THR	90	N	4	1	1[N], 1[O], 2[C],
THR	90	C	10	1	2[O], 3[N], 5[C],
THR	90	CG2	7	1	4[C], 1[O], 2[N],
THR	90	CB	11	1	3[N], 2[O], 6[C],
THR	90	CA	7	1	4[C], 2[N], 1[O],
SER	91	O	10	1	5[N], 5[C],
SER	91	N	12	1	7[C], 2[O], 3[N],
SER	91	CA	12	1	3[N], 3[O], 6[C],
SER	91	C	14	1	8[C], 1[O], 5[N],
SER	91	CB	3	1	1[C], 2[N],
ALA	92	N	20	1	4[O], 5[N], 11[C],
ALA	92	CA	19	1	5[N], 2[O], 12[C],
ALA	92	CB	26	1	15[C], 4[O], 7[N],
ALA	92	C	13	1	2[O], 5[N], 6[C],
ALA	92	O	8	1	4[C], 3[N], 1[O],
ARG	93	N	7	1	2[N], 2[O], 3[C],
ARG	93	CZ	5	1	1[N], 2[O], 2[C],
ARG	93	CD	3	1	2[O], 1[C],
ARG	93	CA	1	1	1[O],
ARG	93	CG	3	1	1[C], 2[O],
ARG	93	CB	1	1	1[O],
ARG	93	NE	4	1	2[O], 2[C],
VAL	124	C	1	1	1[O],
VAL	124	O	2	1	1[C], 1[O],
PHE	125	CZ	1	1	1[O],
PHE	125	CA	7	1	3[O], 4[C],
PHE	125	O	2	1	2[O],
PHE	125	CD1	1	1	1[O],
PHE	125	N	1	1	1[O],
PHE	125	CB	7	1	3[O], 4[C],
PHE	125	CG	4	1	2[C], 2[O],
PHE	125	CD2	8	1	2[N], 2[O], 4[C],
PHE	125	C	7	1	4[C], 3[O],
PHE	125	CE2	4	1	1[O], 1[N], 2[C],
GLY	126	N	8	1	5[C], 3[O],
GLY	126	CA	8	1	5[C], 3[O],
GLY	126	C	9	1	3[O], 6[C],
GLY	126	O	10	1	3[O], 7[C],
ARG	127	N	7	1	5[C], 2[O],
ARG	127	C	9	1	7[C], 1[O], 1[N],
ARG	127	O	13	1	8[C], 2[N], 3[O],
ARG	127	CA	6	1	1[O], 5[C],
GLU	128	CA	6	1	1[N], 5[C],
GLU	128	N	6	1	4[C], 1[N], 1[O],
GLU	128	C	8	1	2[N], 6[C],
GLU	128	CG	2	1	1[N], 1[C],
GLU	128	O	9	1	2[N], 7[C],
GLU	128	CB	4	1	3[C], 1[N],
ASP	129	CA	6	1	4[C], 2[N],
ASP	129	O	9	1	5[C], 2[O], 2[N],
ASP	129	C	9	1	5[C], 2[O], 2[N],
ASP	129	CB	1	1	1[N],
ASP	129	N	7	1	2[N], 5[C],
ARG	130	O	8	1	3[O], 1[N], 4[C],
ARG	130	C	8	1	4[C], 3[O], 1[N],
ARG	130	CA	6	1	1[O], 1[N], 4[C],
ARG	130	N	6	1	4[C], 1[O], 1[N],
GLY	131	C	6	1	2[O], 4[C],
GLY	131	N	12	1	3[O], 1[N], 8[C],
GLY	131	CA	13	1	9[C], 1[N], 3[O],
GLY	131	O	2	1	2[O],
LEU	132	CA	1	1	1[O],
LEU	132	CD2	1	1	1[O],
LEU	132	CG	2	1	2[O],
LEU	132	CD1	2	1	2[O],
LEU	132	N	4	1	2[C], 2[O],
LEU	132	O	1	1	1[O],
LEU	132	CB	1	1	1[O],
LEU	144	CG	1	1	1[C],
LEU	144	CD2	1	1	1[C],
LEU	144	O	5	1	2[N], 3[C],
LEU	144	CB	1	1	1[C],
LEU	144	CA	1	1	1[C],
LEU	144	C	3	1	2[N], 1[C],
THR	145	CA	5	1	3[N], 2[C],
THR	145	C	5	1	2[C], 3[N],
THR	145	OG1	2	1	1[C], 1[N],
THR	145	CG2	4	1	2[C], 2[N],
THR	145	N	3	1	2[N], 1[C],
THR	145	CB	4	1	2[N], 2[C],
THR	145	O	2	1	1[C], 1[N],
ILE	146	CA	6	1	3[N], 3[C],
ILE	146	CG2	5	1	2[N], 3[C],
ILE	146	CG1	8	1	4[N], 4[C],
ILE	146	C	5	1	3[C], 2[N],
ILE	146	CD1	10	1	5[N], 5[C],
ILE	146	CB	8	1	4[N], 4[C],
ILE	146	O	6	1	3[N], 3[C],
ILE	146	N	7	1	4[C], 3[N],
PRO	147	O	1	1	1[N],
PRO	147	CA	1	1	1[N],
PRO	147	C	1	1	1[N],
PRO	147	N	3	1	2[N], 1[C],
VAL	148	CG1	5	1	3[N], 2[C],
VAL	148	CG2	5	1	2[C], 3[N],
VAL	148	N	1	1	1[N],
VAL	148	CA	1	1	1[N],
VAL	148	CB	2	1	1[C], 1[N],
GLY	153	O	2	1	2[N],
VAL	154	CA	10	1	4[N], 6[C],
VAL	154	O	4	1	2[C], 2[N],
VAL	154	CB	18	1	10[C], 3[O], 5[N],
VAL	154	C	9	1	4[N], 5[C],
VAL	154	CG1	14	1	7[C], 5[N], 2[O],
VAL	154	N	4	1	2[N], 2[C],
VAL	154	CG2	11	1	3[N], 1[O], 7[C],
LEU	155	C	11	1	7[C], 3[N], 1[O],
LEU	155	O	14	1	10[C], 3[N], 1[O],
LEU	155	CB	9	1	3[N], 1[O], 5[C],
LEU	155	CD1	8	1	4[N], 4[C],
LEU	155	CA	11	1	6[C], 1[O], 4[N],
LEU	155	CD2	7	1	3[N], 4[C],
LEU	155	CG	7	1	3[N], 4[C],
LEU	155	N	11	1	1[O], 4[N], 6[C],
ASN	156	CA	4	1	2[C], 1[N], 1[O],
ASN	156	O	8	1	4[C], 1[O], 3[N],
ASN	156	N	5	1	1[O], 2[N], 2[C],
ASN	156	C	8	1	2[N], 1[O], 5[C],
VAL	157	CB	6	1	1[O], 1[N], 4[C],
VAL	157	CG1	5	1	2[O], 3[C],
VAL	157	CG2	11	1	1[N], 3[O], 7[C],
VAL	157	N	8	1	1[O], 2[N], 5[C],
VAL	157	CA	9	1	6[C], 1[O], 2[N],
VAL	157	O	3	1	1[O], 2[C],
VAL	157	C	3	1	2[C], 1[O],
ALA	160	CA	8	1	4[C], 1[O], 3[N],
ALA	160	CB	15	1	9[C], 2[O], 4[N],
ALA	160	C	1	1	1[C],
ALA	160	N	4	1	1[N], 1[O], 2[C],
Total = 131


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