Atome 2 Filter

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]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: WCX_A_2(2XNP) / Model_20(2XNP/A) = [7.0]	Download	1270.95	14.94	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC
Complex: WGZ_A_2(2XNM) / Model_17(2XNM/A) = [6.1]	Download	1176.07	16.80	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC
Complex: T3M_A_2(2XKD) / Model_14(2XKD/A) = [5.3]	Download	1192.17	16.64	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC
Complex: VGK_A_2(2WQO) / Model_7(2WQO/A) = [5.0]	Download	1181.58	18.60	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC
Complex: 4VQ_A_2(2XKC) / Model_13(2XKC/A) = [4.7]	Download	1005.06	14.37	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC
Consensus [pKd Mean = 5.62]	-	1165 (s=87)	16 (s=1)	MRMPSVFTAPSTYMADLEVGAATAYHAHSEAATAGESDTCKPAATTASTRPPLAPHAADADAHNAVELSISSTAVAPAYQLRGELGRGQYGCVYLVEECVRHHLLAVKATYDPIQVAAVRERQRRQERQQQKPSKGSGGCAREAAFSPYAQHEEGHAVVPFPPLLPHFSNEVMCLRECHSPFIVRLEGADKGENGEDLLLMEYVDCGDLRREIRRRCAAGTPFTETEAVFVFLQLCMAVDHLHQLNILHHDLKPENVMLSSTGIIKLGDFGFAKKYREPVSQRVASTGCGTPYYLSPEALRGDRYSLKSEMWALGVILYELLALTGPFAAATRAELRAKVHNSDYAKLPATYSNELRSVCYQLLTLDPDQRPSTRDLFQDNEYLREKLNALRRISECSVNMSTEEKGSMFHSISAALRRKPPSAKGPATASFNLGWGGSCKISSHGHGSARPEAAPKPRVERPAEMTPVARTRSVC

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	175	CG	8	7	6[O], 1[N], 1[C],
LEU	175	CD2	17	7	8[O], 2[N], 7[C],
LEU	175	CD1	11	7	6[O], 2[N], 3[C],
ILE	183	C	3	7	1[O], 2[C],
ILE	183	CG2	1	7	1[O],
VAL	184	O	30	7	2[S], 7[O], 16[C], 5[N],
VAL	184	C	29	7	2[S], 5[O], 17[C], 5[N],
VAL	184	CA	54	7	2[S], 6[O], 7[N], 39[C],
VAL	184	CG1	104	7	2[S], 12[O], 21[N], 69[C],
VAL	184	N	29	7	2[S], 6[O], 16[C], 5[N],
VAL	184	CG2	104	7	2[S], 12[O], 21[N], 69[C],
VAL	184	CB	91	7	2[S], 10[O], 58[C], 21[N],
ARG	185	CA	4	7	4[N],
ARG	185	N	17	7	2[S], 2[O], 9[C], 4[N],
ARG	185	C	5	7	1[O], 4[N],
ARG	185	O	17	7	2[S], 1[O], 9[C], 5[N],
LEU	186	CD1	10	7	5[O], 5[C],
LEU	186	CD2	11	7	4[O], 2[N], 5[C],
LEU	186	CB	3	7	3[O],
LEU	186	CG	6	7	3[O], 3[C],
LEU	199	CD2	6	7	2[O], 4[C],
LEU	199	CA	1	7	1[O],
LEU	199	CG	8	7	6[O], 2[C],
LEU	199	CB	12	7	7[O], 1[N], 4[C],
LEU	199	CD1	12	7	7[O], 1[N], 4[C],
LEU	199	C	1	7	1[O],
LEU	199	O	23	7	5[O], 13[C], 5[N],
LEU	200	C	4	7	4[N],
MET	201	SD	105	7	1[F], 2[S], 13[O], 19[N], 70[C],
MET	201	CG	105	7	1[F], 2[S], 14[O], 20[N], 68[C],
MET	201	O	45	7	2[S], 15[N], 28[C],
MET	201	CA	60	7	2[S], 3[O], 39[C], 16[N],
MET	201	C	48	7	2[S], 31[C], 15[N],
MET	201	CB	87	7	2[S], 11[O], 56[C], 18[N],
MET	201	N	18	7	2[S], 5[N], 11[C],
MET	201	CE	90	7	2[S], 13[O], 58[C], 17[N],
GLU	202	OE1	16	7	7[C], 9[N],
GLU	202	CG	47	7	1[S], 15[N], 31[C],
GLU	202	C	74	7	2[S], 18[N], 54[C],
GLU	202	CA	48	7	2[S], 15[N], 31[C],
GLU	202	OE2	12	7	1[S], 6[C], 5[N],
GLU	202	CD	21	7	10[C], 11[N],
GLU	202	N	50	7	2[S], 1[O], 32[C], 15[N],
GLU	202	O	105	7	2[S], 2[O], 19[N], 82[C],
GLU	202	CB	32	7	2[S], 16[C], 14[N],
TYR	203	N	60	7	2[S], 18[N], 40[C],
TYR	203	CD2	64	7	5[O], 14[N], 45[C],
TYR	203	CE2	61	7	5[O], 8[N], 48[C],
TYR	203	CD1	107	7	6[O], 19[N], 82[C],
TYR	203	CA	86	7	2[S], 1[O], 18[N], 65[C],
TYR	203	C	84	7	2[S], 1[O], 18[N], 63[C],
TYR	203	CE1	108	7	9[O], 19[N], 80[C],
TYR	203	CB	66	7	17[N], 49[C],
TYR	203	O	58	7	17[N], 41[C],
TYR	203	CZ	95	7	6[O], 18[N], 71[C],
TYR	203	CG	81	7	5[O], 17[N], 59[C],
VAL	204	N	107	7	2[S], 6[O], 18[N], 81[C],
VAL	204	CA	104	7	2[S], 6[O], 18[N], 78[C],
VAL	204	CB	120	7	2[S], 6[O], 18[N], 94[C],
VAL	204	CG1	104	7	2[S], 6[O], 18[N], 78[C],
VAL	204	O	125	7	2[S], 12[O], 19[N], 92[C],
VAL	204	CG2	103	7	2[S], 2[O], 18[N], 81[C],
VAL	204	C	109	7	1[S], 7[O], 19[N], 82[C],
ASP	205	CB	48	7	5[O], 8[N], 35[C],
ASP	205	N	89	7	5[O], 18[N], 66[C],
ASP	205	OD2	15	7	2[O], 1[N], 12[C],
ASP	205	CA	87	7	6[O], 14[N], 67[C],
ASP	205	O	82	7	9[O], 8[N], 65[C],
ASP	205	OD1	37	7	3[O], 7[N], 27[C],
ASP	205	C	91	7	9[O], 11[N], 71[C],
ASP	205	CG	32	7	5[O], 2[N], 25[C],
CYS	206	C	91	7	12[O], 12[N], 67[C],
CYS	206	CB	34	7	5[O], 1[N], 28[C],
CYS	206	O	79	7	12[O], 2[N], 65[C],
CYS	206	SG	4	7	4[C],
CYS	206	CA	75	7	9[O], 8[N], 58[C],
CYS	206	N	88	7	9[O], 11[N], 68[C],
GLY	207	O	131	7	1[S], 12[O], 17[N], 101[C],
GLY	207	N	111	7	12[O], 15[N], 84[C],
GLY	207	CA	136	7	3[F], 12[O], 16[N], 105[C],
GLY	207	C	141	7	1[S], 12[O], 16[N], 112[C],
ASP	208	N	149	7	4[F], 1[S], 12[O], 16[N], 116[C],
ASP	208	OD2	80	7	2[F], 7[O], 3[N], 68[C],
ASP	208	CB	147	7	6[F], 2[S], 14[O], 8[N], 117[C],
ASP	208	O	62	7	9[O], 1[N], 52[C],
ASP	208	OD1	121	7	8[F], 12[O], 7[N], 94[C],
ASP	208	C	63	7	8[O], 1[N], 54[C],
ASP	208	CA	121	7	1[S], 12[O], 7[N], 101[C],
ASP	208	CG	112	7	6[F], 12[O], 4[N], 90[C],
LEU	209	N	25	7	4[O], 21[C],
LEU	209	CA	1	7	1[C],
LEU	209	C	1	7	1[C],
ARG	210	C	8	7	2[O], 6[C],
ARG	210	CG	9	7	9[C],
ARG	210	O	1	7	1[C],
ARG	210	CA	8	7	8[C],
ARG	210	CB	16	7	3[O], 13[C],
ARG	210	N	14	7	2[O], 12[C],
ARG	211	CZ	83	7	6[F], 10[O], 2[N], 65[C],
ARG	211	CB	57	7	11[O], 2[N], 44[C],
ARG	211	C	6	7	1[O], 1[N], 4[C],
ARG	211	CD	80	7	2[F], 11[O], 2[N], 65[C],
ARG	211	O	5	7	1[N], 4[C],
ARG	211	CG	61	7	2[F], 12[O], 2[N], 45[C],
ARG	211	NE	83	7	6[F], 11[O], 2[N], 64[C],
ARG	211	N	26	7	6[O], 1[N], 19[C],
ARG	211	CA	29	7	6[O], 1[N], 22[C],
GLU	212	CG	1	7	1[C],
GLU	212	CD	2	7	2[C],
GLU	212	OE2	7	7	1[N], 6[C],
GLU	212	N	3	7	3[C],
ARG	215	NE	11	7	3[O], 1[N], 7[C],
ARG	215	CZ	19	7	6[O], 1[N], 12[C],
ARG	215	CG	2	7	2[C],
ARG	215	CD	2	7	2[C],
HIS	250	ND1	5	7	2[O], 2[N], 1[C],
HIS	250	NE2	1	7	1[O],
HIS	250	CD2	3	7	1[O], 1[N], 1[C],
HIS	250	CG	1	7	1[O],
HIS	250	CE1	2	7	1[O], 1[N],
LYS	253	CE	5	7	5[C],
LYS	253	O	1	7	1[C],
LYS	253	NZ	3	7	3[C],
PRO	254	O	13	7	13[C],
PRO	254	C	9	7	9[C],
GLU	255	OE1	17	7	17[C],
GLU	255	N	11	7	11[C],
GLU	255	CG	22	7	2[O], 20[C],
GLU	255	CB	24	7	2[O], 22[C],
GLU	255	OE2	8	7	8[C],
GLU	255	CA	25	7	4[O], 21[C],
GLU	255	O	126	7	3[F], 2[S], 16[O], 8[N], 97[C],
GLU	255	C	64	7	10[O], 2[N], 52[C],
GLU	255	CD	16	7	16[C],
ASN	256	CA	70	7	2[S], 13[O], 3[N], 52[C],
ASN	256	ND2	59	7	2[S], 12[O], 3[N], 42[C],
ASN	256	O	45	7	2[S], 6[O], 3[N], 34[C],
ASN	256	N	42	7	6[O], 2[N], 34[C],
ASN	256	CG	49	7	2[S], 14[O], 3[N], 30[C],
ASN	256	C	51	7	2[S], 7[O], 3[N], 39[C],
ASN	256	CB	52	7	1[S], 13[O], 3[N], 35[C],
ASN	256	OD1	37	7	8[O], 3[N], 26[C],
VAL	257	O	46	7	1[S], 1[O], 3[N], 41[C],
VAL	257	CA	18	7	1[S], 3[O], 14[C],
VAL	257	C	36	7	2[S], 2[O], 2[N], 30[C],
VAL	257	N	33	7	2[S], 3[O], 1[N], 27[C],
MET	258	CE	195	7	9[F], 2[S], 23[O], 21[N], 140[C],
MET	258	O	1	7	1[C],
MET	258	CA	100	7	2[S], 2[O], 18[N], 78[C],
MET	258	SD	193	7	6[F], 2[S], 20[O], 21[N], 144[C],
MET	258	CB	130	7	2[S], 5[O], 18[N], 105[C],
MET	258	CG	172	7	3[F], 2[S], 15[O], 21[N], 131[C],
MET	258	C	57	7	1[S], 15[N], 41[C],
MET	258	N	56	7	2[S], 2[O], 7[N], 45[C],
LEU	259	N	67	7	14[N], 53[C],
LEU	259	CA	9	7	3[N], 6[C],
LEU	259	O	80	7	5[O], 16[N], 59[C],
LEU	259	C	35	7	7[N], 28[C],
SER	260	CA	11	7	7[N], 4[C],
SER	260	N	9	7	6[N], 3[C],
LYS	266	O	19	7	2[S], 3[O], 14[C],
LYS	266	CD	4	7	4[N],
LYS	266	CB	12	7	1[S], 1[O], 7[C], 3[N],
LYS	266	C	11	7	1[S], 2[O], 8[C],
LEU	267	CG	1	7	1[C],
LEU	267	O	35	7	2[S], 7[O], 3[N], 23[C],
LEU	267	CD1	1	7	1[C],
LEU	267	CB	2	7	1[O], 1[C],
LEU	267	C	35	7	2[S], 7[O], 3[N], 23[C],
LEU	267	N	4	7	2[O], 2[C],
LEU	267	CA	12	7	3[O], 9[C],
GLY	268	N	54	7	2[S], 11[O], 4[N], 37[C],
GLY	268	C	59	7	2[S], 14[O], 4[N], 39[C],
GLY	268	O	45	7	2[S], 11[O], 3[N], 29[C],
GLY	268	CA	79	7	2[S], 14[O], 53[C], 10[N],
ASP	269	N	72	7	2[S], 14[O], 6[N], 50[C],
ASP	269	OD1	53	7	12[O], 3[N], 38[C],
ASP	269	CB	52	7	1[S], 13[O], 4[N], 34[C],
ASP	269	C	57	7	2[S], 14[O], 3[N], 38[C],
ASP	269	O	58	7	2[S], 13[O], 3[N], 40[C],
ASP	269	CG	56	7	1[S], 13[O], 4[N], 38[C],
ASP	269	OD2	58	7	1[S], 14[O], 4[N], 39[C],
ASP	269	CA	56	7	2[S], 14[O], 4[N], 36[C],
PHE	270	CE2	31	7	1[F], 4[O], 2[N], 24[C],
PHE	270	N	33	7	10[O], 3[N], 20[C],
PHE	270	CD1	32	7	7[O], 3[N], 22[C],
PHE	270	CB	26	7	10[O], 3[N], 13[C],
PHE	270	C	26	7	9[O], 3[N], 14[C],
PHE	270	CG	31	7	9[O], 3[N], 19[C],
PHE	270	CZ	28	7	3[F], 4[O], 1[N], 20[C],
PHE	270	CE1	32	7	2[F], 5[O], 1[N], 24[C],
PHE	270	O	22	7	8[O], 3[N], 11[C],
PHE	270	CD2	33	7	7[O], 2[N], 24[C],
PHE	270	CA	31	7	10[O], 3[N], 18[C],
GLY	271	CA	11	7	3[O], 2[N], 6[C],
GLY	271	N	15	7	5[O], 3[N], 7[C],
GLY	271	C	13	7	4[O], 2[N], 7[C],
GLY	271	O	12	7	2[O], 2[N], 8[C],
PHE	272	C	13	7	1[F], 2[O], 1[N], 9[C],
PHE	272	CZ	18	7	2[F], 1[S], 2[O], 2[N], 11[C],
PHE	272	CA	11	7	2[O], 1[N], 8[C],
PHE	272	CE1	14	7	2[F], 1[S], 2[O], 1[N], 8[C],
PHE	272	CB	13	7	1[S], 2[O], 1[N], 9[C],
PHE	272	O	11	7	1[F], 2[O], 1[N], 7[C],
PHE	272	N	8	7	2[O], 1[N], 5[C],
PHE	272	CG	17	7	2[F], 1[S], 2[O], 1[N], 11[C],
PHE	272	CE2	24	7	3[F], 1[S], 2[O], 2[N], 16[C],
PHE	272	CD1	13	7	1[F], 1[S], 2[O], 1[N], 8[C],
PHE	272	CD2	24	7	3[F], 1[S], 2[O], 2[N], 16[C],
ALA	273	CA	18	7	2[F], 2[O], 1[N], 13[C],
ALA	273	N	16	7	1[F], 1[S], 2[O], 1[N], 11[C],
ALA	273	O	7	7	1[F], 1[O], 1[N], 4[C],
ALA	273	CB	18	7	2[F], 2[O], 1[N], 13[C],
ALA	273	C	11	7	1[F], 1[O], 1[N], 8[C],
LYS	274	N	5	7	1[O], 1[N], 3[C],
LYS	274	C	1	7	1[C],
LYS	274	CA	1	7	1[C],
LYS	275	N	1	7	1[C],
LYS	275	C	1	7	1[C],
TYR	276	CB	7	7	1[F], 1[O], 5[C],
TYR	276	O	1	7	1[C],
TYR	276	CG	9	7	3[F], 1[O], 5[C],
TYR	276	CZ	6	7	3[F], 3[C],
TYR	276	CD2	6	7	2[F], 4[C],
TYR	276	N	2	7	2[C],
TYR	276	CA	3	7	1[F], 2[C],
TYR	276	CD1	9	7	3[F], 1[O], 5[C],
TYR	276	CE2	5	7	2[F], 3[C],
TYR	276	C	1	7	1[C],
TYR	276	CE1	8	7	3[F], 5[C],
Total = 230


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