Atome 2 Filter

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLN	15	O	6	1	1[O], 1[N], 4[C],
GLN	15	CA	1	1	1[O],
GLN	15	C	10	1	1[O], 1[N], 8[C],
ILE	16	CG2	23	1	2[O], 3[N], 18[C],
ILE	16	CD1	34	1	3[O], 4[N], 27[C],
ILE	16	CA	25	1	3[O], 2[N], 20[C],
ILE	16	O	28	1	2[O], 3[N], 23[C],
ILE	16	C	27	1	2[O], 3[N], 22[C],
ILE	16	CG1	33	1	3[O], 4[N], 26[C],
ILE	16	CB	28	1	3[O], 3[N], 22[C],
ILE	16	N	18	1	1[O], 2[N], 15[C],
GLY	17	N	27	1	2[O], 3[N], 22[C],
GLY	17	C	22	1	2[O], 3[N], 17[C],
GLY	17	O	18	1	2[O], 2[N], 14[C],
GLY	17	CA	28	1	2[O], 3[N], 23[C],
SER	18	CA	13	1	1[O], 1[N], 11[C],
SER	18	C	17	1	2[O], 2[N], 13[C],
SER	18	O	9	1	1[O], 1[N], 7[C],
SER	18	N	21	1	2[O], 3[N], 16[C],
SER	18	OG	10	1	1[O], 2[N], 7[C],
SER	18	CB	6	1	1[O], 5[C],
GLY	19	C	16	1	2[O], 2[N], 12[C],
GLY	19	CA	22	1	2[O], 3[N], 17[C],
GLY	19	O	11	1	1[O], 1[N], 9[C],
GLY	19	N	22	1	2[O], 3[N], 17[C],
ASN	20	CA	5	1	5[C],
ASN	20	OD1	9	1	1[O], 8[C],
ASN	20	CG	7	1	7[C],
ASN	20	C	4	1	4[C],
ASN	20	CB	5	1	5[C],
ASN	20	N	15	1	2[O], 1[N], 12[C],
ASN	20	ND2	5	1	5[C],
PHE	21	C	2	1	2[C],
PHE	21	CB	1	1	1[C],
PHE	21	CA	2	1	2[C],
PHE	21	CD2	1	1	1[C],
PHE	21	N	5	1	5[C],
SER	22	O	13	1	1[O], 1[N], 11[C],
SER	22	CB	1	1	1[C],
SER	22	N	4	1	4[C],
SER	22	CA	4	1	4[C],
SER	22	C	7	1	1[N], 6[C],
SER	22	OG	4	1	4[C],
LYS	23	N	3	1	3[C],
LYS	23	CA	6	1	1[O], 5[C],
LYS	23	O	8	1	1[N], 7[C],
LYS	23	C	11	1	1[O], 1[N], 9[C],
VAL	24	O	22	1	1[O], 2[N], 19[C],
VAL	24	CA	22	1	1[O], 2[N], 19[C],
VAL	24	CG2	28	1	2[O], 3[N], 23[C],
VAL	24	N	17	1	1[O], 2[N], 14[C],
VAL	24	CB	31	1	3[O], 3[N], 25[C],
VAL	24	C	22	1	1[O], 2[N], 19[C],
VAL	24	CG1	30	1	3[O], 3[N], 24[C],
ARG	25	O	11	1	1[O], 1[N], 9[C],
ARG	25	N	13	1	1[O], 2[N], 10[C],
ARG	25	C	4	1	4[C],
LEU	26	CD1	8	1	1[O], 7[C],
LEU	26	CB	3	1	1[O], 2[C],
LEU	26	CD2	17	1	1[O], 2[N], 14[C],
LEU	26	CA	2	1	1[O], 1[C],
LEU	26	CG	11	1	1[O], 10[C],
THR	34	C	1	1	1[O],
THR	34	OG1	1	1	1[O],
THR	34	CB	1	1	1[O],
THR	34	O	3	1	1[O], 1[C], 1[N],
TRP	35	CA	4	1	1[O], 1[N], 2[C],
TRP	35	N	3	1	1[O], 1[C], 1[N],
TRP	35	CE3	1	1	1[N],
TRP	35	C	7	1	1[O], 1[N], 5[C],
TRP	35	CB	1	1	1[N],
TRP	35	O	6	1	1[O], 1[N], 4[C],
ALA	36	CA	17	1	1[O], 14[C], 2[N],
ALA	36	N	12	1	1[O], 1[N], 10[C],
ALA	36	CB	24	1	2[O], 3[N], 19[C],
ALA	36	O	10	1	1[O], 1[N], 8[C],
ALA	36	C	14	1	1[O], 1[N], 12[C],
ILE	37	CA	7	1	1[N], 6[C],
ILE	37	O	8	1	8[C],
ILE	37	C	9	1	9[C],
ILE	37	N	13	1	1[O], 1[N], 11[C],
LYS	38	CD	11	1	1[N], 10[C],
LYS	38	N	9	1	9[C],
LYS	38	NZ	8	1	1[N], 7[C],
LYS	38	CB	12	1	1[N], 11[C],
LYS	38	CG	11	1	1[N], 10[C],
LYS	38	CA	10	1	9[C], 1[N],
LYS	38	CE	10	1	1[N], 9[C],
LYS	38	C	3	1	3[C],
GLU	57	OE1	4	1	4[C],
GLU	57	CD	4	1	4[C],
GLU	57	OE2	6	1	6[C],
GLU	57	CG	2	1	2[C],
MET	61	SD	3	1	3[C],
MET	61	CE	5	1	5[C],
VAL	70	CG2	19	1	2[O], 15[C], 2[N],
VAL	70	O	5	1	1[N], 4[C],
VAL	70	CA	9	1	1[O], 1[N], 7[C],
VAL	70	CG1	16	1	1[O], 13[C], 2[N],
VAL	70	CB	14	1	1[O], 1[N], 12[C],
VAL	70	N	3	1	1[N], 2[C],
VAL	70	C	5	1	1[N], 4[C],
LYS	71	N	2	1	1[N], 1[C],
LYS	71	CA	2	1	1[N], 1[C],
LYS	71	O	4	1	1[N], 3[C],
LYS	71	C	2	1	1[N], 1[C],
LEU	84	CD1	3	1	3[C],
LEU	84	CB	2	1	2[C],
LEU	84	CG	1	1	1[C],
LEU	84	O	4	1	4[C],
VAL	85	C	2	1	1[N], 1[C],
LEU	86	CD2	8	1	1[N], 7[C],
LEU	86	N	5	1	1[N], 4[C],
LEU	86	CG	11	1	1[N], 10[C],
LEU	86	CA	8	1	1[O], 1[N], 6[C],
LEU	86	C	8	1	1[O], 1[N], 6[C],
LEU	86	CB	11	1	1[O], 1[N], 9[C],
LEU	86	O	6	1	1[O], 1[N], 4[C],
LEU	86	CD1	16	1	1[O], 13[C], 2[N],
GLU	87	CG	6	1	1[O], 1[N], 4[C],
GLU	87	O	14	1	1[O], 1[N], 12[C],
GLU	87	CB	5	1	1[O], 1[N], 3[C],
GLU	87	OE2	4	1	1[O], 1[N], 2[C],
GLU	87	OE1	2	1	1[N], 1[C],
GLU	87	CA	6	1	1[O], 1[N], 4[C],
GLU	87	CD	4	1	1[O], 1[N], 2[C],
GLU	87	C	10	1	1[O], 1[N], 8[C],
GLU	87	N	6	1	1[O], 1[N], 4[C],
LEU	88	CA	12	1	1[O], 1[N], 10[C],
LEU	88	CD2	11	1	1[O], 1[N], 9[C],
LEU	88	CG	15	1	1[O], 1[N], 13[C],
LEU	88	CD1	18	1	1[O], 2[N], 15[C],
LEU	88	C	10	1	1[O], 1[N], 8[C],
LEU	88	N	10	1	1[O], 1[N], 8[C],
LEU	88	CB	10	1	1[O], 1[N], 8[C],
LEU	88	O	10	1	1[O], 1[N], 8[C],
VAL	89	CB	13	1	1[O], 1[N], 11[C],
VAL	89	N	16	1	1[O], 2[N], 13[C],
VAL	89	C	14	1	1[O], 1[N], 12[C],
VAL	89	O	17	1	1[O], 2[N], 14[C],
VAL	89	CA	14	1	1[O], 1[N], 12[C],
VAL	89	CG1	10	1	1[O], 1[N], 8[C],
VAL	89	CG2	17	1	1[O], 2[N], 14[C],
THR	90	OG1	1	1	1[C],
THR	90	C	8	1	1[O], 7[C],
THR	90	N	11	1	1[O], 1[N], 9[C],
THR	90	CA	7	1	1[O], 6[C],
THR	90	CG2	3	1	1[O], 2[C],
THR	90	CB	4	1	1[O], 3[C],
THR	90	O	7	1	1[O], 6[C],
GLY	91	CA	7	1	1[O], 6[C],
GLY	91	C	8	1	1[O], 7[C],
GLY	91	N	8	1	1[O], 7[C],
GLY	91	O	6	1	6[C],
GLY	92	O	18	1	2[O], 2[N], 14[C],
GLY	92	CA	20	1	3[O], 2[N], 15[C],
GLY	92	C	20	1	2[O], 2[N], 16[C],
GLY	92	N	14	1	1[O], 1[N], 12[C],
GLU	93	OE2	13	1	2[O], 2[N], 9[C],
GLU	93	CA	17	1	1[O], 2[N], 14[C],
GLU	93	N	20	1	2[O], 2[N], 16[C],
GLU	93	CD	19	1	2[O], 3[N], 14[C],
GLU	93	OE1	21	1	2[O], 3[N], 16[C],
GLU	93	C	8	1	1[N], 7[C],
GLU	93	O	3	1	3[C],
GLU	93	CB	17	1	2[O], 2[N], 13[C],
GLU	93	CG	22	1	2[O], 3[N], 17[C],
LEU	94	N	2	1	1[N], 1[C],
PHE	95	CB	2	1	1[C], 1[N],
PHE	95	CD2	2	1	1[C], 1[N],
PHE	95	CG	2	1	1[C], 1[N],
PHE	95	N	1	1	1[N],
ASP	96	OD2	10	1	2[N], 8[C],
ASP	96	CG	4	1	1[N], 3[C],
HIS	130	CE1	1	1	1[C],
HIS	130	NE2	1	1	1[C],
ASP	132	O	1	1	1[C],
ASP	132	OD2	2	1	2[C],
LYS	134	CE	6	1	1[O], 1[N], 4[C],
LYS	134	C	2	1	2[C],
LYS	134	O	3	1	1[N], 2[C],
LYS	134	NZ	3	1	1[N], 2[C],
LYS	134	CG	3	1	1[N], 2[C],
LYS	134	CB	1	1	1[C],
LYS	134	CD	3	1	1[N], 2[C],
PRO	135	C	5	1	1[O], 1[N], 3[C],
PRO	135	O	6	1	1[O], 1[N], 4[C],
PRO	135	CA	1	1	1[C],
GLU	136	CA	7	1	1[O], 1[N], 5[C],
GLU	136	N	7	1	1[O], 1[N], 5[C],
GLU	136	CB	7	1	1[O], 1[N], 5[C],
GLU	136	CG	7	1	1[O], 1[N], 5[C],
GLU	136	CD	2	1	1[C], 1[N],
GLU	136	OE1	2	1	1[C], 1[N],
GLU	136	C	14	1	2[O], 3[N], 9[C],
GLU	136	OE2	2	1	1[C], 1[N],
GLU	136	O	23	1	2[O], 3[N], 18[C],
ASN	137	ND2	8	1	1[O], 1[N], 6[C],
ASN	137	O	14	1	1[O], 2[N], 11[C],
ASN	137	CB	13	1	1[O], 2[N], 10[C],
ASN	137	N	9	1	1[O], 2[N], 6[C],
ASN	137	CA	18	1	1[O], 2[N], 15[C],
ASN	137	OD1	22	1	2[O], 3[N], 17[C],
ASN	137	C	11	1	1[O], 2[N], 8[C],
ASN	137	CG	15	1	1[O], 2[N], 12[C],
LEU	138	CA	4	1	1[O], 1[N], 2[C],
LEU	138	O	6	1	1[O], 1[N], 4[C],
LEU	138	N	7	1	1[O], 1[N], 5[C],
LEU	138	CB	1	1	1[C],
LEU	138	C	5	1	1[O], 1[N], 3[C],
LEU	139	CG	34	1	3[O], 4[N], 27[C],
LEU	139	CA	21	1	2[O], 3[N], 16[C],
LEU	139	CD1	35	1	3[O], 4[N], 28[C],
LEU	139	C	7	1	1[O], 6[C],
LEU	139	CD2	33	1	3[O], 4[N], 26[C],
LEU	139	CB	28	1	2[O], 4[N], 22[C],
LEU	139	N	11	1	1[O], 1[N], 9[C],
LEU	140	N	7	1	1[O], 6[C],
LEU	140	C	3	1	1[O], 2[C],
LEU	140	O	10	1	1[O], 9[C],
ASP	141	CA	1	1	1[O],
LYS	147	CB	4	1	1[O], 1[N], 2[C],
LYS	147	O	6	1	1[O], 1[N], 4[C],
LYS	147	CG	4	1	1[O], 1[N], 2[C],
ILE	148	C	8	1	1[O], 7[C],
ILE	148	CA	1	1	1[C],
ILE	148	O	8	1	1[N], 7[C],
SER	149	N	14	1	1[O], 1[N], 12[C],
SER	149	CB	31	1	3[O], 4[N], 24[C],
SER	149	C	19	1	1[O], 2[N], 16[C],
SER	149	OG	30	1	2[O], 4[N], 24[C],
SER	149	O	19	1	1[O], 2[N], 16[C],
SER	149	CA	20	1	1[O], 2[N], 17[C],
ASP	150	CB	17	1	1[O], 2[N], 14[C],
ASP	150	CA	14	1	1[O], 1[N], 12[C],
ASP	150	OD2	22	1	2[O], 2[N], 18[C],
ASP	150	C	8	1	1[O], 7[C],
ASP	150	CG	18	1	2[O], 2[N], 14[C],
ASP	150	N	18	1	1[O], 2[N], 15[C],
ASP	150	O	5	1	5[C],
ASP	150	OD1	14	1	1[O], 1[N], 12[C],
PHE	151	C	2	1	2[C],
PHE	151	CA	2	1	2[C],
PHE	151	N	7	1	7[C],
PHE	151	CB	2	1	2[C],
PHE	151	CD1	1	1	1[C],
GLY	152	CA	2	1	2[C],
GLY	152	N	3	1	3[C],
Total = 248

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: STU_A_4(4QFG) / Model_18(4QFG/A) = [7.6]	Download	874.42	18.92	MDPSVMVGQYTLGKQIGSGNFSKVRLGTDPQGRTWAIKIVDKRRLKKENMEDQMLREVAIMRSLRQQNVVKLQEVLQSSNHYYLVLELVTGGELFDKIVAAKRFDEPTARRYFHQLIAGMYYCHSKGFAHRDLKPENLLLDANGTLKISDFGLSNLQQDVLLQTICGTPNYVAPEVLMERGYNGLSADIWSCGVVLYVMLAGRLPFEDRNMNVLLGKIERGDYQMIRHISDPAKDLVARMLTVDPRKRISMEDVINHPWFQIDWNPRLLST
Consensus [pKd Mean = 7.60]	-	874 (s=0)	18 (s=0)	MDPSVMVGQYTLGKQIGSGNFSKVRLGTDPQGRTWAIKIVDKRRLKKENMEDQMLREVAIMRSLRQQNVVKLQEVLQSSNHYYLVLELVTGGELFDKIVAAKRFDEPTARRYFHQLIAGMYYCHSKGFAHRDLKPENLLLDANGTLKISDFGLSNLQQDVLLQTICGTPNYVAPEVLMERGYNGLSADIWSCGVVLYVMLAGRLPFEDRNMNVLLGKIERGDYQMIRHISDPAKDLVARMLTVDPRKRISMEDVINHPWFQIDWNPRLLST


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