Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NAP_B_8(2DBZ) / Model_22(2DBZ/B) = [8.6]	Download	1697.45	11.85	MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNMNIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQESALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV
Complex: NDP_L_12(2GCG) / Model_31(2GCG/C) = [7.3]	Download	2154.67	13.24	MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNMNIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQESALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV
Complex: 8YV_C_23(5V7N) / Model_34(5V7N/C) = [3.9]	Download	609.65	15.58	MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNMNIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQESALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV
Complex: MLA_A_6(5V6Q) / Model_13(5V6Q/A) = [3.1]	Download	268.90	15.18	MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNMNIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQESALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV
Consensus [pKd Mean = 5.72]	-	1182 (s=770)	13 (s=1)	MKKVVVFSQIDEEILSRLQQDYHVVVLNPKLGDINEQIRQEVVDADGMIGAGRLLNESNLSPAQKLKIISSVTVGYDNYDVGYLNQKKIWLANTPHVLTETTADLAFTLLLSAARKVPFLDHWTKQGEWKRTVGPQQFGLDVFGKTLGIIGLGNIGAAIARRGFYGFNMNIVYHNRREKPELAEPLKAQYLGLEELLQQSDFVVTAVGLNAESKALMGKAQFELMQKHAIFINIARGSVVDEQALIEALQNEVIFAAGLDVYEKEPLQESALFNLPNVVTLPHVGSATAETRKKMANLAYKNLVEALEDKTPRYLVNPNFV

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ALA	51	CA	2	4	1[O], 1[C],
ALA	51	CB	4	4	2[C], 2[O],
ALA	51	C	2	4	1[O], 1[C],
ALA	51	O	2	4	1[C], 1[O],
GLY	52	O	1	4	1[O],
GLY	52	C	2	4	1[C], 1[O],
GLY	52	CA	3	4	1[O], 2[C],
GLY	52	N	3	4	1[O], 2[C],
ARG	53	N	1	4	1[O],
VAL	72	O	17	4	8[O], 9[C],
VAL	72	CG1	3	4	1[O], 2[C],
VAL	72	CB	1	4	1[C],
VAL	72	C	11	4	5[O], 6[C],
VAL	72	CA	1	4	1[C],
THR	73	CB	20	4	9[C], 11[O],
THR	73	O	7	4	3[C], 4[O],
THR	73	CG2	20	4	11[O], 9[C],
THR	73	C	13	4	8[C], 5[O],
THR	73	OG1	26	4	15[C], 1[N], 10[O],
THR	73	CA	20	4	11[O], 9[C],
THR	73	N	13	4	6[O], 7[C],
VAL	74	N	17	4	6[O], 11[C],
VAL	74	C	18	4	8[O], 10[C],
VAL	74	CB	29	4	12[O], 13[C], 2[N], 2[P],
VAL	74	CA	18	4	8[O], 10[C],
VAL	74	O	13	4	7[O], 6[C],
VAL	74	CG2	31	4	14[C], 1[N], 2[P], 14[O],
VAL	74	CG1	34	4	17[C], 1[N], 2[P], 14[O],
GLY	75	N	29	4	11[O], 16[C], 2[N],
GLY	75	C	16	4	10[O], 6[C],
GLY	75	O	15	4	8[O], 7[C],
GLY	75	CA	25	4	10[O], 2[N], 13[C],
TYR	76	CE2	1	4	1[O],
TYR	76	N	5	4	5[O],
ASP	77	CG	1	4	1[O],
ASP	77	OD1	4	4	1[C], 3[O],
ASN	78	OD1	1	4	1[O],
ASN	78	CB	1	4	1[O],
ASN	78	ND2	4	4	2[C], 2[O],
ASN	78	CG	1	4	1[O],
THR	94	OG1	3	4	1[C], 2[O],
THR	94	O	2	4	2[O],
PRO	95	CB	2	4	2[O],
PRO	95	CA	2	4	2[O],
HIS	96	N	2	4	2[O],
LEU	98	CG	11	4	3[O], 8[C],
LEU	98	CD1	11	4	7[C], 4[O],
LEU	98	CD2	19	4	6[O], 13[C],
LEU	98	CB	7	4	4[C], 3[O],
LEU	98	O	4	4	4[C],
THR	99	CG2	1	4	1[O],
THR	99	CB	1	4	1[O],
THR	99	OG1	2	4	2[O],
THR	102	CA	9	4	8[C], 1[O],
THR	102	CB	18	4	2[O], 12[C], 4[N],
THR	102	OG1	20	4	12[C], 4[N], 4[O],
THR	102	CG2	22	4	4[O], 14[C], 4[N],
LEU	105	CD2	6	4	2[C], 2[N], 2[O],
ILE	149	O	1	4	1[C],
ILE	150	CG1	2	4	1[N], 1[C],
ILE	150	N	1	4	1[C],
ILE	150	C	11	4	5[C], 4[N], 2[O],
ILE	150	CB	3	4	2[N], 1[C],
ILE	150	CG2	9	4	5[C], 4[N],
ILE	150	CA	3	4	2[N], 1[C],
ILE	150	O	10	4	3[N], 5[C], 2[O],
GLY	151	N	22	4	5[O], 12[C], 5[N],
GLY	151	CA	30	4	18[C], 5[N], 7[O],
GLY	151	O	16	4	9[C], 1[N], 6[O],
GLY	151	C	22	4	4[N], 12[C], 6[O],
LEU	152	CA	9	4	6[C], 3[O],
LEU	152	N	19	4	6[O], 2[N], 11[C],
LEU	152	CB	2	4	2[O],
LEU	152	O	10	4	5[O], 5[C],
LEU	152	C	17	4	8[O], 9[C],
GLY	153	N	24	4	10[C], 2[P], 12[O],
GLY	153	CA	29	4	9[C], 4[P], 16[O],
GLY	153	O	9	4	1[P], 2[C], 6[O],
GLY	153	C	22	4	4[P], 6[C], 12[O],
ASN	154	CA	12	4	8[O], 3[P], 1[C],
ASN	154	C	11	4	3[P], 8[O],
ASN	154	CB	13	4	9[O], 4[P],
ASN	154	CG	10	4	8[O], 2[P],
ASN	154	N	23	4	4[C], 4[P], 15[O],
ASN	154	OD1	6	4	4[O], 2[P],
ASN	154	ND2	10	4	2[P], 8[O],
ASN	154	O	4	4	1[P], 3[O],
ILE	155	CG1	27	4	11[O], 12[C], 2[P], 2[N],
ILE	155	O	2	4	2[O],
ILE	155	C	3	4	1[P], 2[O],
ILE	155	CD1	27	4	9[O], 14[C], 2[P], 2[N],
ILE	155	CA	10	4	1[C], 2[P], 7[O],
ILE	155	N	18	4	3[C], 4[P], 11[O],
ILE	155	CG2	11	4	3[C], 2[P], 6[O],
ILE	155	CB	18	4	10[O], 6[C], 2[P],
GLY	156	N	4	4	1[C], 1[P], 2[O],
GLY	156	CA	2	4	2[O],
HIS	174	CD2	10	4	5[N], 5[C],
HIS	174	CE1	5	4	3[C], 2[N],
HIS	174	CG	7	4	3[C], 4[N],
HIS	174	NE2	9	4	4[C], 5[N],
HIS	174	O	15	4	8[C], 5[N], 2[O],
HIS	174	C	9	4	1[O], 5[C], 3[N],
HIS	174	ND1	3	4	2[C], 1[N],
HIS	174	CA	3	4	2[N], 1[C],
HIS	174	CB	4	4	2[N], 2[C],
HIS	174	N	1	4	1[C],
ASN	175	CA	28	4	6[O], 1[P], 8[N], 13[C],
ASN	175	OD1	25	4	4[N], 2[P], 10[C], 9[O],
ASN	175	O	14	4	2[O], 1[P], 5[N], 6[C],
ASN	175	C	27	4	8[N], 2[P], 10[C], 7[O],
ASN	175	CG	24	4	9[O], 3[N], 2[P], 10[C],
ASN	175	N	15	4	1[P], 5[N], 6[C], 3[O],
ASN	175	ND2	19	4	2[P], 2[N], 6[C], 9[O],
ASN	175	CB	28	4	9[O], 5[N], 2[P], 12[C],
ARG	176	C	10	4	6[O], 1[C], 2[P], 1[N],
ARG	176	CZ	14	4	1[P], 3[N], 5[C], 5[O],
ARG	176	NE	21	4	7[C], 5[N], 2[P], 7[O],
ARG	176	CB	26	4	8[O], 2[P], 7[N], 9[C],
ARG	176	CD	20	4	6[O], 2[P], 5[N], 7[C],
ARG	176	CG	22	4	8[O], 7[C], 5[N], 2[P],
ARG	176	O	4	4	4[O],
ARG	176	N	34	4	8[O], 2[P], 9[N], 15[C],
ARG	176	CA	24	4	7[O], 2[P], 6[N], 9[C],
ARG	177	C	2	4	2[O],
ARG	177	CB	4	4	1[P], 3[O],
ARG	177	O	4	4	3[O], 1[P],
ARG	177	CG	5	4	3[O], 2[P],
ARG	177	CA	4	4	3[O], 1[P],
ARG	177	CD	2	4	2[O],
ARG	177	N	8	4	6[O], 2[P],
ARG	177	NE	1	4	1[O],
LYS	179	CG	3	4	3[O],
LYS	179	NZ	19	4	11[O], 5[C], 3[P],
LYS	179	CE	12	4	1[P], 4[C], 7[O],
LYS	179	CD	6	4	4[O], 1[C], 1[P],
THR	205	O	1	4	1[O],
ALA	206	CA	12	4	8[C], 4[O],
ALA	206	O	38	4	16[O], 16[C], 2[N], 4[P],
ALA	206	CB	12	4	6[O], 6[C],
ALA	206	C	25	4	10[O], 14[C], 1[P],
VAL	207	N	20	4	2[N], 12[C], 6[O],
VAL	207	CA	37	4	9[O], 6[N], 22[C],
VAL	207	CG2	20	4	2[O], 11[C], 7[N],
VAL	207	C	39	4	12[O], 5[N], 22[C],
VAL	207	CG1	33	4	20[C], 10[N], 3[O],
VAL	207	CB	33	4	20[C], 10[N], 3[O],
VAL	207	O	25	4	1[N], 13[C], 11[O],
GLY	208	CA	28	4	2[N], 15[C], 11[O],
GLY	208	C	15	4	5[O], 8[C], 2[N],
GLY	208	N	44	4	5[N], 2[P], 23[C], 14[O],
GLY	208	O	13	4	4[O], 3[N], 6[C],
LEU	209	CB	2	4	2[O],
LEU	209	N	9	4	5[C], 4[O],
LEU	209	CA	2	4	2[O],
ASN	210	CG	7	4	4[C], 3[N],
ASN	210	CB	4	4	1[C], 3[N],
ASN	210	ND2	15	4	1[O], 8[C], 6[N],
ASN	210	OD1	5	4	2[N], 3[C],
GLU	212	CG	3	4	1[C], 2[N],
GLU	212	OE1	6	4	3[C], 3[N],
GLU	212	C	4	4	2[N], 2[C],
GLU	212	N	1	4	1[N],
GLU	212	OE2	2	4	2[N],
GLU	212	CA	2	4	2[N],
GLU	212	CD	3	4	3[N],
GLU	212	O	3	4	2[N], 1[C],
GLU	212	CB	9	4	4[C], 5[N],
SER	213	N	6	4	3[C], 3[N],
SER	213	CB	12	4	6[N], 6[C],
SER	213	CA	6	4	3[N], 3[C],
SER	213	OG	3	4	2[N], 1[C],
LEU	216	CD1	5	4	1[C], 4[N],
LEU	216	CG	2	4	2[N],
LEU	216	CD2	5	4	2[N], 3[C],
ASN	233	O	1	4	1[N],
ILE	234	CB	10	4	2[O], 2[N], 6[C],
ILE	234	N	1	4	1[N],
ILE	234	CG2	3	4	1[C], 2[N],
ILE	234	CG1	7	4	1[O], 3[C], 3[N],
ILE	234	C	20	4	12[C], 4[N], 4[O],
ILE	234	CD1	16	4	2[O], 4[N], 10[C],
ILE	234	O	29	4	18[C], 4[N], 7[O],
ILE	234	CA	8	4	2[N], 6[C],
ALA	235	CB	14	4	2[N], 8[C], 4[O],
ALA	235	CA	19	4	12[C], 3[N], 4[O],
ALA	235	C	19	4	3[N], 12[C], 4[O],
ALA	235	N	16	4	4[O], 4[N], 8[C],
ALA	235	O	29	4	4[N], 17[C], 8[O],
ARG	236	CB	3	4	1[C], 2[O],
ARG	236	CZ	35	4	2[N], 21[C], 12[O],
ARG	236	NE	21	4	9[O], 10[C], 2[N],
ARG	236	CA	3	4	2[O], 1[C],
ARG	236	CD	8	4	4[O], 4[C],
ARG	236	CG	8	4	3[O], 5[C],
ARG	236	N	9	4	1[N], 5[C], 3[O],
ASP	260	CG	6	4	2[C], 2[N], 2[O],
ASP	260	OD1	6	4	2[O], 2[C], 2[N],
ASP	260	OD2	11	4	2[N], 7[C], 2[O],
ASP	260	CA	2	4	2[N],
ASP	260	C	2	4	2[N],
ASP	260	O	3	4	2[N], 1[C],
ASP	260	CB	5	4	2[C], 2[N], 1[O],
VAL	261	CB	2	4	2[N],
VAL	261	CA	1	4	1[N],
VAL	261	N	2	4	2[N],
VAL	261	CG2	1	4	1[N],
VAL	261	CG1	12	4	4[O], 2[N], 6[C],
HIS	283	CB	7	4	2[N], 2[C], 3[O],
HIS	283	CD2	25	4	8[O], 15[C], 2[N],
HIS	283	CE1	26	4	14[C], 2[N], 10[O],
HIS	283	O	10	4	2[N], 3[C], 5[O],
HIS	283	CG	17	4	6[O], 2[N], 9[C],
HIS	283	C	6	4	2[O], 2[N], 2[C],
HIS	283	ND1	15	4	7[C], 2[N], 6[O],
HIS	283	CA	6	4	2[C], 2[N], 2[O],
HIS	283	NE2	33	4	12[O], 4[N], 17[C],
VAL	284	N	6	4	2[O], 2[C], 2[N],
VAL	284	CA	4	4	2[O], 1[C], 1[N],
VAL	284	O	4	4	2[C], 2[O],
VAL	284	C	6	4	2[N], 2[C], 2[O],
GLY	285	O	8	4	2[O], 5[C], 1[N],
GLY	285	N	11	4	2[N], 6[C], 3[O],
GLY	285	C	13	4	7[C], 2[N], 4[O],
GLY	285	CA	11	4	2[O], 2[N], 7[C],
SER	286	N	15	4	4[O], 9[C], 2[N],
SER	286	O	1	4	1[O],
SER	286	CA	11	4	7[C], 4[O],
SER	286	CB	20	4	13[C], 7[O],
SER	286	OG	24	4	15[C], 9[O],
SER	286	C	4	4	4[O],
ALA	287	N	1	4	1[O],
ARG	292	CD	2	4	2[O],
ARG	292	CZ	7	4	4[C], 3[O],
ARG	292	NE	6	4	3[C], 3[O],
MET	295	CE	13	4	5[O], 8[C],
MET	295	SD	7	4	2[C], 5[O],
Total = 237


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