Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: NU6_A_2(5M51) / Model_6(5M51/A) = [4.0]	Download	1031.66	19.00	MEEQDQRKPNGGNNGLPVPPSTTETGQGPLQDILGRTPNCQYVKKRLLGQGSFGSAWRVEESATGNVFAAKVMDLNSMSEKDRGFVTNEVKCLSRCCNPHVVRCENAIEREGQLLIVMEYADGGDLYKQIKARVREMKFFREHEVVFIFLQLCLALDHIHSNKMMHRDLKTANILLTTTGLVKLGDFGFSRQYEDSLSNAVGSTFCGTPYYLSPELWHRQPYSKKSEMWALGVVLYEVMALRRPFTGKNMDELITNICHGRRSDLPSSYSASLRDVCNRLLSVDSNTRPTIHELFHEPFIRSNLETLKRSVEKHNRIPADVREAIARCITQSLNTEEPPAHLEEPEPLIGTVKRHTALRGWQKCLLSFDKKQISIRDPSGVDPEEVVPVATLTSVCPIDVMMAGEEFVFAMKNQAGKAFWFMAPTQRAYEQWLTTLQEAAP
Consensus [pKd Mean = 4.00]	-	1031 (s=0)	19 (s=0)	MEEQDQRKPNGGNNGLPVPPSTTETGQGPLQDILGRTPNCQYVKKRLLGQGSFGSAWRVEESATGNVFAAKVMDLNSMSEKDRGFVTNEVKCLSRCCNPHVVRCENAIEREGQLLIVMEYADGGDLYKQIKARVREMKFFREHEVVFIFLQLCLALDHIHSNKMMHRDLKTANILLTTTGLVKLGDFGFSRQYEDSLSNAVGSTFCGTPYYLSPELWHRQPYSKKSEMWALGVVLYEVMALRRPFTGKNMDELITNICHGRRSDLPSSYSASLRDVCNRLLSVDSNTRPTIHELFHEPFIRSNLETLKRSVEKHNRIPADVREAIARCITQSLNTEEPPAHLEEPEPLIGTVKRHTALRGWQKCLLSFDKKQISIRDPSGVDPEEVVPVATLTSVCPIDVMMAGEEFVFAMKNQAGKAFWFMAPTQRAYEQWLTTLQEAAP

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	48	O	12	1	1[O], 1[N], 10[C],
LEU	48	CB	25	1	2[O], 5[N], 18[C],
LEU	48	CG	25	1	2[O], 5[N], 18[C],
LEU	48	N	8	1	1[O], 7[C],
LEU	48	CD2	23	1	2[O], 4[N], 17[C],
LEU	48	CA	21	1	2[O], 3[N], 16[C],
LEU	48	C	17	1	2[O], 2[N], 13[C],
LEU	48	CD1	25	1	2[O], 5[N], 18[C],
GLY	49	CA	11	1	2[O], 1[N], 8[C],
GLY	49	N	15	1	2[O], 2[N], 11[C],
GLY	49	O	9	1	1[O], 8[C],
GLY	49	C	9	1	2[O], 7[C],
GLN	50	CA	7	1	7[C],
GLN	50	CG	3	1	3[C],
GLN	50	O	7	1	7[C],
GLN	50	C	7	1	7[C],
GLN	50	CB	4	1	4[C],
GLN	50	N	8	1	1[O], 7[C],
GLY	51	C	5	1	5[C],
GLY	51	O	3	1	3[C],
GLY	51	N	8	1	1[O], 7[C],
GLY	51	CA	7	1	7[C],
SER	52	C	2	1	2[C],
SER	52	N	4	1	4[C],
SER	52	CA	2	1	2[C],
SER	52	CB	2	1	2[C],
PHE	53	N	2	1	2[C],
GLY	54	N	2	1	2[C],
GLY	54	C	3	1	3[C],
GLY	54	O	6	1	6[C],
GLY	54	CA	1	1	1[C],
SER	55	C	6	1	6[C],
SER	55	CA	3	1	3[C],
SER	55	O	3	1	3[C],
SER	55	N	3	1	3[C],
ALA	56	N	8	1	1[O], 7[C],
ALA	56	CA	12	1	1[O], 9[C], 2[N],
ALA	56	O	10	1	1[O], 1[N], 8[C],
ALA	56	C	12	1	1[O], 9[C], 2[N],
ALA	56	CB	17	1	1[O], 4[N], 12[C],
TRP	57	CA	1	1	1[C],
TRP	57	C	1	1	1[C],
TRP	57	O	3	1	3[C],
TRP	57	N	6	1	1[O], 5[C],
ARG	58	CZ	9	1	1[O], 1[N], 7[C],
ARG	58	NE	10	1	1[O], 1[N], 8[C],
ARG	58	CB	5	1	2[N], 3[C],
ARG	58	CD	13	1	1[O], 3[N], 9[C],
ARG	58	CA	2	1	1[C], 1[N],
ARG	58	CG	16	1	1[O], 3[N], 12[C],
PHE	68	C	8	1	4[C], 4[N],
PHE	68	O	5	1	2[C], 3[N],
PHE	68	CA	3	1	1[C], 2[N],
ALA	69	CA	11	1	1[O], 5[C], 5[N],
ALA	69	C	7	1	4[C], 3[N],
ALA	69	O	6	1	3[C], 3[N],
ALA	69	N	10	1	5[C], 5[N],
ALA	69	CB	14	1	1[O], 5[N], 8[C],
ALA	70	CA	3	1	1[C], 2[N],
ALA	70	C	3	1	1[N], 2[C],
ALA	70	N	5	1	2[N], 3[C],
ALA	70	O	5	1	1[O], 1[N], 3[C],
LYS	71	NZ	18	1	1[O], 12[C], 5[N],
LYS	71	CE	17	1	1[O], 4[N], 12[C],
LYS	71	CB	3	1	1[N], 2[C],
LYS	71	CD	17	1	1[O], 4[N], 12[C],
LYS	71	N	2	1	1[N], 1[C],
LYS	71	CA	2	1	1[N], 1[C],
LYS	71	CG	10	1	1[O], 2[N], 7[C],
VAL	102	C	3	1	1[C], 2[N],
VAL	102	N	2	1	1[C], 1[N],
VAL	102	CG1	9	1	4[N], 5[C],
VAL	102	CG2	10	1	1[O], 4[N], 5[C],
VAL	102	O	2	1	1[C], 1[N],
VAL	102	CB	7	1	4[C], 3[N],
VAL	102	CA	5	1	2[N], 3[C],
ARG	103	O	2	1	1[C], 1[N],
ARG	103	C	2	1	1[C], 1[N],
ARG	103	N	2	1	1[C], 1[N],
ILE	116	O	2	1	1[N], 1[C],
VAL	117	C	2	1	1[C], 1[N],
MET	118	O	7	1	3[N], 4[C],
MET	118	SD	5	1	2[N], 3[C],
MET	118	CB	6	1	3[C], 3[N],
MET	118	CG	5	1	2[N], 3[C],
MET	118	C	6	1	3[C], 3[N],
MET	118	N	4	1	2[N], 2[C],
MET	118	CE	8	1	1[O], 4[C], 3[N],
MET	118	CA	5	1	2[N], 3[C],
GLU	119	OE2	1	1	1[N],
GLU	119	CB	6	1	3[C], 3[N],
GLU	119	CA	7	1	3[N], 4[C],
GLU	119	N	6	1	3[C], 3[N],
GLU	119	CG	6	1	3[C], 3[N],
GLU	119	OE1	3	1	1[N], 2[C],
GLU	119	O	12	1	1[O], 5[N], 6[C],
GLU	119	C	10	1	5[C], 5[N],
GLU	119	CD	4	1	2[C], 2[N],
TYR	120	CZ	16	1	1[O], 4[N], 11[C],
TYR	120	N	11	1	5[N], 6[C],
TYR	120	CG	16	1	5[N], 11[C],
TYR	120	CD1	19	1	1[O], 5[N], 13[C],
TYR	120	O	12	1	5[N], 7[C],
TYR	120	CE1	21	1	2[O], 6[N], 13[C],
TYR	120	CA	14	1	1[O], 5[N], 8[C],
TYR	120	CB	13	1	5[N], 8[C],
TYR	120	C	14	1	5[N], 9[C],
TYR	120	CD2	12	1	4[N], 8[C],
TYR	120	CE2	12	1	4[N], 8[C],
ALA	121	O	21	1	2[O], 6[N], 13[C],
ALA	121	N	18	1	1[O], 5[N], 12[C],
ALA	121	CA	17	1	1[O], 5[N], 11[C],
ALA	121	CB	18	1	1[O], 5[N], 12[C],
ALA	121	C	18	1	1[O], 5[N], 12[C],
ASP	122	CG	5	1	1[N], 4[C],
ASP	122	CA	11	1	3[N], 8[C],
ASP	122	O	11	1	3[N], 8[C],
ASP	122	OD1	5	1	1[N], 4[C],
ASP	122	CB	7	1	2[N], 5[C],
ASP	122	C	10	1	3[N], 7[C],
ASP	122	OD2	2	1	2[C],
ASP	122	N	14	1	4[N], 10[C],
GLY	123	C	12	1	4[N], 8[C],
GLY	123	N	10	1	3[N], 7[C],
GLY	123	CA	9	1	2[N], 7[C],
GLY	123	O	10	1	2[N], 8[C],
GLY	124	O	18	1	1[O], 5[N], 12[C],
GLY	124	C	19	1	2[O], 4[N], 13[C],
GLY	124	N	16	1	1[O], 4[N], 11[C],
GLY	124	CA	19	1	2[O], 4[N], 13[C],
ASP	125	O	4	1	1[N], 3[C],
ASP	125	CA	18	1	2[O], 4[N], 12[C],
ASP	125	OD1	9	1	1[O], 1[N], 7[C],
ASP	125	OD2	22	1	2[O], 3[N], 17[C],
ASP	125	N	20	1	2[O], 4[N], 14[C],
ASP	125	CG	19	1	2[O], 3[N], 14[C],
ASP	125	C	4	1	1[N], 3[C],
ASP	125	CB	20	1	2[O], 4[N], 14[C],
LYS	128	CE	14	1	1[O], 3[N], 10[C],
LYS	128	CB	5	1	1[O], 1[N], 3[C],
LYS	128	CA	1	1	1[N],
LYS	128	NZ	18	1	2[O], 3[N], 13[C],
LYS	128	CG	7	1	1[O], 1[N], 5[C],
LYS	128	N	1	1	1[N],
LYS	128	CD	10	1	1[O], 1[N], 8[C],
ALA	172	C	8	1	1[O], 7[C],
ALA	172	CA	6	1	5[C], 1[N],
ALA	172	O	13	1	1[O], 9[C], 3[N],
ALA	172	CB	6	1	6[C],
ASN	173	CA	5	1	1[O], 3[C], 1[N],
ASN	173	C	3	1	1[O], 1[C], 1[N],
ASN	173	O	4	1	1[N], 3[C],
ASN	173	N	3	1	3[C],
ASN	173	CG	2	1	2[C],
ASN	173	CB	1	1	1[C],
ASN	173	OD1	3	1	3[C],
LEU	175	CB	18	1	1[O], 5[N], 12[C],
LEU	175	C	8	1	4[C], 4[N],
LEU	175	N	10	1	1[O], 4[N], 5[C],
LEU	175	CA	13	1	1[O], 5[N], 7[C],
LEU	175	CG	21	1	1[O], 14[C], 6[N],
LEU	175	CD2	27	1	2[O], 6[N], 19[C],
LEU	175	CD1	21	1	1[O], 14[C], 6[N],
LEU	176	CA	2	1	2[N],
LEU	176	N	11	1	4[N], 7[C],
LEU	176	O	11	1	4[N], 7[C],
LEU	176	C	5	1	2[N], 3[C],
LYS	183	C	2	1	1[C], 1[N],
LYS	183	O	6	1	3[C], 3[N],
LYS	183	CG	3	1	1[C], 2[N],
LYS	183	CB	4	1	2[C], 2[N],
LEU	184	C	2	1	1[N], 1[C],
LEU	184	O	1	1	1[C],
GLY	185	N	4	1	2[C], 2[N],
GLY	185	C	4	1	2[C], 2[N],
GLY	185	O	2	1	1[N], 1[C],
GLY	185	CA	5	1	2[N], 3[C],
ASP	186	OD1	16	1	1[O], 11[C], 4[N],
ASP	186	CA	5	1	1[N], 4[C],
ASP	186	CB	9	1	1[O], 1[N], 7[C],
ASP	186	CG	15	1	1[O], 3[N], 11[C],
ASP	186	OD2	15	1	1[O], 3[N], 11[C],
ASP	186	N	7	1	1[O], 2[N], 4[C],
Total = 183


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