Query sequence : H_NR1H4_FXR: (2019-08-14 ) MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ

Atome Classification :

	(126 SA)										Binding Score for complex ligand / Scwrl (Unconserved SChains Recalculated) model (Only selected ligand are displayed)
			(Atome)	(Ident)	(Tito)	(Num)		(pKd)	(Uniprot)		9LP_A_5(5Q0U) NR1H4_HUMAN [Raw transfer] 9LP_C_6(5Q0U) [Raw transfer] OOF_C_6(3OOF) [Raw transfer] OOK_A_5(3OOK) NR1H4_HUMAN [Raw transfer] 9L4_C_6(5Q0N) [Raw transfer] 9ND_A_5(5Q1D) NR1H4_HUMAN [Raw transfer] 9ND_C_6(5Q1D) [Raw transfer] OMK_A_5(3OMK) NR1H4_HUMAN [Raw transfer] OOK_C_6(3OOK) [Raw transfer] 9LS_C_6(5Q0V) [Raw transfer] 9LS_A_5(5Q0V) NR1H4_HUMAN [Raw transfer] OOF_A_5(3OOF) NR1H4_HUMAN [Raw transfer] 9LJ_C_6(5Q0S) [Raw transfer] OMK_C_6(3OMK) [Raw transfer] 9LJ_A_5(5Q0S) NR1H4_HUMAN [Raw transfer] 9MY_A_5(5Q18) NR1H4_HUMAN [Raw transfer] 9NA_A_5(5Q1C) NR1H4_HUMAN [Raw transfer] 9MY_C_6(5Q18) [Raw transfer] 9MM_A_5(5Q14) NR1H4_HUMAN [Raw transfer] 9LA_C_6(5Q0P) [Raw transfer] 9MS_C_6(5Q16) [Raw transfer] OLF_A_5(3OLF) NR1H4_HUMAN [Raw transfer] 9MP_A_5(5Q15) NR1H4_HUMAN [Raw transfer] 9LA_A_5(5Q0P) NR1H4_HUMAN [Raw transfer] 9N7_A_5(5Q1B) NR1H4_HUMAN [Raw transfer] OMM_C_6(3OMM) [Raw transfer] 9L4_A_5(5Q0N) NR1H4_HUMAN [Raw transfer] OMM_A_5(3OMM) NR1H4_HUMAN [Raw transfer] 9MP_C_6(5Q15) [Raw transfer] OLF_C_6(3OLF) [Raw transfer] 9N7_C_6(5Q1B) [Raw transfer] 9R3_H_11(6A5Z) [Raw transfer] 9NJ_C_6(5Q1F) [Raw transfer] 9MS_A_5(5Q16) NR1H4_HUMAN [Raw transfer] 9LY_C_6(5Q0Y) [Raw transfer] 9NP_G_12(5Q1H) [Raw transfer] 9NP_C_10(5Q1H) NR1H4_HUMAN [Raw transfer] 9MM_C_6(5Q14) [Raw transfer] 9NA_C_6(5Q1C) [Raw transfer] OKI_A_5(3OKI) NR1H4_HUMAN [Raw transfer] 9M1_A_5(5Q0Z) NR1H4_HUMAN [Raw transfer] 9NP_A_9(5Q1H) NR1H4_HUMAN [Raw transfer] 9NJ_A_5(5Q1F) NR1H4_HUMAN [Raw transfer] 9KV_C_6(5Q0J) [Raw transfer] 9NP_E_11(5Q1H) NR1H4_HUMAN [Raw transfer] 9LY_A_5(5Q0Y) NR1H4_HUMAN [Raw transfer] 9MD_C_6(5Q13) [Raw transfer] 9M1_C_6(5Q0Z) [Raw transfer] 9KV_A_5(5Q0J) NR1H4_HUMAN [Raw transfer] OKI_C_6(3OKI) [Raw transfer] 9N4_A_5(5Q1A) NR1H4_HUMAN [Raw transfer] 9L7_A_6(5Q0O) NR1H4_HUMAN [Raw transfer] 9MD_A_5(5Q13) NR1H4_HUMAN [Raw transfer] 9L7_C_7(5Q0O) [Raw transfer] 9N4_C_6(5Q1A) [Raw transfer] OKH_A_4(3OKH) [Raw transfer] 0X0_A_3(5Q0I) [Raw transfer] 33Y_A_2(3FLI) [Raw transfer] 33Y_D_11(5Z12) RXRA_HUMAN [Raw transfer] 9KY_A_5(5Q0L) NR1H4_HUMAN [Raw transfer] 9N1_C_6(5Q19) [Raw transfer] 9N1_A_5(5Q19) NR1H4_HUMAN [Raw transfer] 31D_A_5(4QE8) NR1H4_HUMAN [Raw transfer] 9LD_C_6(5Q0Q) [Raw transfer] 9KY_C_6(5Q0L) [Raw transfer] 635_A_2(3L1B) [Raw transfer] 33Y_A_9(5Z12) NR1H4_HUMAN [Raw transfer] MUF_A_7(3BEJ) NR1H4_HUMAN [Raw transfer] 9LG_A_3(5Q0R) [Raw transfer] 9LD_A_5(5Q0Q) NR1H4_HUMAN [Raw transfer] MUF_B_8(3BEJ) [Raw transfer] IU5_F_6(1OT7) [Raw transfer] CHC_G_7(1OT7) NR1H4_RAT [Raw transfer] CHC_G_7(1OSV) NR1H4_RAT [Raw transfer] 9L1_A_3(5Q0M) [Raw transfer] XX9_A_3(4OIV) NR1H4_HUMAN [Raw transfer] CHC_F_6(1OSV) [Raw transfer] XD4_A_3(5Y44) ? [Raw transfer] 59G_A_5(3RUT) [Raw transfer] FEZ_B_7(5ICK) [Raw transfer] 37G_A_5(3RUU) [Raw transfer] 82X_A_3(3HC5) [Raw transfer] T73_B_7(5IAW) [Raw transfer] O62_A_3(3DCU) [Raw transfer] P88_A_3(3P88) [Raw transfer] XX9_B_4(4OIV) [Raw transfer] JN3_A_3(4QE6) [Raw transfer] 088_A_3(3HC6) [Raw transfer] FEZ_A_5(5ICK) NR1H4_HUMAN [Raw transfer] 93U_B_6(5YXJ) ? [Raw transfer] 9MA_A_3(5Q12) [Raw transfer] 89P_A_3(3P89) [Raw transfer] 643_A_3(5Q0X) [Raw transfer] 643_A_3(3FXV) [Raw transfer] 9NM_A_3(5Q1G) [Raw transfer] FEX_B_2(1OSH) [Raw transfer] 9R0_A_5(6A5W) NR1H4_HUMAN [Raw transfer] D5H_A_3(5Y1J) [Raw transfer] 9O1_A_3(5Q1I) [Raw transfer] 708_A_3(3GD2) [Raw transfer] 9LM_A_3(5Q0T) [Raw transfer] 034_A_4(3RVF) [Raw transfer] XD5_A_5(5Y49) ? [Raw transfer] NIW_C_6(5YXL) ? [Raw transfer] 064_A_5(6A60) [Raw transfer] IVM_A_9(4WVD) NR1H4_HUMAN [Raw transfer] 9NG_A_3(5Q1E) [Raw transfer] 9R3_A_9(6A5Z) NR1H4_HUMAN [Raw transfer] 31D_B_10(4QE8) [Raw transfer] 9M4_A_3(5Q10) [Raw transfer] 064_A_3(3DCT) [Raw transfer] 9R0_A_5(6A5Y) RXRA_HUMAN [Raw transfer] 9R0_C_6(6A5W) [Raw transfer] 9R3_A_7(6A5X) [Raw transfer] 9LV_A_3(5Q0W) [Raw transfer] XD5_B_6(5Y49) ? [Raw transfer] T73_A_6(5IAW) NR1H4_HUMAN [Raw transfer] 7VX_B_9(5WZX) [Raw transfer] 93O_A_3(5YXB) ? [Raw transfer] 7VX_A_5(5WZX) NR1H4_HUMAN [Raw transfer] IVM_B_14(4WVD) [Raw transfer] 9M7_A_3(5Q11) [Raw transfer] 9MV_A_3(5Q17) [Raw transfer] 93R_A_3(5YXD) ? [Raw transfer] 93U_A_5(5YXJ) ? [Raw transfer] NIW_A_5(5YXL) ? [Raw transfer]
96	Blastp_CBE		86.18	99%	-154	- C1 -	3OMK	11.7
91	Blastp_CBE		84.93	99%	-147	- C1 -	3OOK	12.1	NR1H4_HUMAN
92	Blastp_CBE		84.86	99%	-149	- C1 -	3OOF	11.7
18	PsiBlast_PDB		84.79	100%	-154	- C1 -	5IAW	6.5	NR1H4_HUMAN
9	PsiBlast_PDB		84.25	100%	-154	- C1 -	5ICK	5.9	NR1H4_HUMAN
81	Blastp_CBE		83.58	99%	-151	- C1 -	5Q0P	12.0	NR1H4_HUMAN
76	Blastp_CBE		83.45	99%	-148	- C1 -	5Q0S	11.4	NR1H4_HUMAN
51	Blastp_CBE		83.29	99%	-148	- C1 -	5Q18	11.2	NR1H4_HUMAN
45	Blastp_CBE		83.20	99%	-142	- C1 -	5Q1B	12.1	NR1H4_HUMAN
59	Blastp_CBE		83.04	99%	-151	- C1 -	5Q13	11.3
72	Blastp_CBE		83.02	99%	-150	- C1 -	5Q0U	11.8
73	Blastp_CBE		82.82	99%	-147	- C1 -	5Q0U	11.6	NR1H4_HUMAN
95	Blastp_CBE		82.75	99%	-147	- C1 -	3OMM	11.6	NR1H4_HUMAN
56	Blastp_CBE		82.31	99%	-147	- C1 -	5Q15	11.1	NR1H4_HUMAN
38	Blastp_CBE		82.10	99%	-151	- C1 -	5Q1F	11.0	NR1H4_HUMAN
33	Blastp_CBE		82.10	99%	-148	- C1 -	5Q1H	12.2	NR1H4_HUMAN
75	Blastp_CBE		81.68	99%	-150	- C1 -	5Q0S	11.5
41	Blastp_CBE		81.66	99%	-148	- C1 -	5Q1D	11.1	NR1H4_HUMAN
97	Blastp_CBE		81.36	99%	-146	- C1 -	3OMK	11.7	NR1H4_HUMAN
88	Blastp_CBE		81.31	99%	-146	- C1 -	5Q0J	11.7	NR1H4_HUMAN
58	Blastp_CBE		81.21	99%	-149	- C1 -	5Q14	11.7	NR1H4_HUMAN
90	Blastp_CBE		81.15	99%	-146	- C1 -	3OOK	12.1
98	Blastp_CBE		81.08	99%	-147	- C1 -	3OLF	11.9
32	Blastp_CBE		80.92	99%	-152	- C1 -	5Q1H	12.3
27	Blastp_CBE		80.89	100%	-156	- C1 -	5IAW	5.5
47	Blastp_CBE		80.70	99%	-147	- C1 -	5Q1A	11.8	NR1H4_HUMAN
99	Blastp_CBE		80.66	99%	-142	- C1 -	3OLF	11.7	NR1H4_HUMAN
87	Blastp_CBE		80.58	99%	-143	- C1 -	5Q0J	11.8
80	Blastp_CBE		80.45	99%	-143	- C1 -	5Q0P	11.5
101	Blastp_CBE		80.09	99%	-142	- C1 -	3OKI	10.8	NR1H4_HUMAN
71	Blastp_CBE		80.05	99%	-146	- C1 -	5Q0V	11.3	NR1H4_HUMAN
60	Blastp_CBE		80.01	99%	-153	- C1 -	5Q13	11.4	NR1H4_HUMAN
83	Blastp_CBE		79.98	99%	-141	- C1 -	5Q0O	12.8	NR1H4_HUMAN
85	Blastp_CBE		79.78	99%	-146	- C1 -	5Q0N	12.1	NR1H4_HUMAN
55	Blastp_CBE		79.35	99%	-146	* C1 *	5Q15	11.1
70	Blastp_CBE		79.23	99%	-145	- C1 -	5Q0V	11.5
53	Blastp_CBE		79.21	99%	-144	- C1 -	5Q16	11.7
89	Blastp_CBE		79.18	99%	-156	- C1 -	5Q0I	9.5
64	Blastp_CBE		79.09	99%	-146	- C1 -	5Q0Z	10.1
66	Blastp_CBE		78.96	99%	-144	- C1 -	5Q0Y	11.9
48	Blastp_CBE		78.90	99%	-147	- C1 -	5Q19	11.2
49	Blastp_CBE		78.89	99%	-146	- C1 -	5Q19	11.2	NR1H4_HUMAN
67	Blastp_CBE		78.88	99%	-142	- C1 -	5Q0Y	12.0	NR1H4_HUMAN
94	Blastp_CBE		78.79	99%	-143	- C1 -	3OMM	11.9
65	Blastp_CBE		78.65	99%	-146	- C1 -	5Q0Z	9.7	NR1H4_HUMAN
19	PsiBlast_PDB		78.43	100%	-156	- C1 -	5Z12	9.5	NR1H4_HUMAN (first)
93	Blastp_CBE		78.41	99%	-142	- C1 -	3OOF	11.7	NR1H4_HUMAN
54	Blastp_CBE		78.39	99%	-141	- C1 -	5Q16	11.9	NR1H4_HUMAN
40	Blastp_CBE		78.38	99%	-148	- C1 -	5Q1D	11.1
100	Blastp_CBE		78.33	99%	-144	- C1 -	3OKI	10.5
46	Blastp_CBE		78.27	99%	-146	- C1 -	5Q1A	11.7
24	Blastp_CBE		78.16	100%	-151	- C1 -	5ICK	5.3
43	Blastp_CBE		78.08	99%	-141	- C1 -	5Q1C	11.0	NR1H4_HUMAN
44	Blastp_CBE		77.83	99%	-142	- C1 -	5Q1B	11.9
35	Blastp_CBE		77.44	99%	-146	- C1 -	5Q1H	12.0	NR1H4_HUMAN
82	Blastp_CBE		76.72	99%	-145	- C1 -	5Q0O	12.6
42	Blastp_CBE		76.60	99%	-144	- C1 -	5Q1C	11.2
110	Blastp_CBE		75.92	99%	-146	- C1 -	6A5Y	11.8	RXRA_HUMAN
57	Blastp_CBE		75.92	99%	-140	- C1 -	5Q14	11.1
84	Blastp_CBE		75.67	99%	-146	- C1 -	5Q0N	12.0
50	Blastp_CBE		75.51	99%	-142	- C1 -	5Q18	10.8
34	Blastp_CBE		74.98	99%	-142	- C1 -	5Q1H	12.0	NR1H4_HUMAN
37	Blastp_CBE		74.94	99%	-143	- C1 -	5Q1F	10.6
26	Blastp_CBE		74.93	100%	-157	- C1 -	5Z12	9.1	RXRA_HUMAN
11	PsiBlast_PDB		74.66	100%	-141	- C1 -	5YXD	7.4	?
4	PsiBlast_PDB		73.66	100%	-140	- C1 -	3HC5	11.8
102	Blastp_CBE		73.28	99%	-150	- C1 -	3OKH	10.5
8	PsiBlast_PDB		73.19	100%	-136	- C1 -	3RUU	12.2
21	Blastp_CBE		72.69	100%	-139	- C1 -	3BEJ	9.9
2	PsiBlast_PDB		72.38	100%	-136	- C1 -	3DCT	11.3
3	PsiBlast_PDB		72.29	100%	-136	- C1 -	3DCU	11.4
14	PsiBlast_PDB		72.08	100%	-141	- C1 -	4QE6	9.3
112	Blastp_CBE		72.01	99%	-147	- C1 -	6A5W	11.3	NR1H4_HUMAN
12	PsiBlast_PDB		71.84	100%	-137	- C1 -	5YXJ	9.0	?
29	Blastp_CBE		70.98	100%	-143	- C1 -	5Y49	5.4	?
10	PsiBlast_PDB		70.81	100%	-161	- C1 -	5YXB	5.3	?
7	PsiBlast_PDB		70.67	100%	-127	- C1 -	3RUT	11.6
111	Blastp_CBE		70.25	99%	-141	- C1 -	6A5W	11.1
30	Blastp_CBE		69.72	100%	-144	- C1 -	5Y49	4.4	?
61	Blastp_CBE		69.53	99%	-144	- C1 -	5Q12	8.9
5	PsiBlast_PDB		68.89	100%	-135	- C1 -	3RVF	10.8
36	Blastp_CBE		68.62	99%	-163	- C1 -	5Q1G	9.5
1	PsiBlast_PDB		68.20	100%	-144	- C1 -	3BEJ	10.0	NR1H4_HUMAN
118	Blastp_CBE		66.49	98%	-146	- C1 -	5Y44	7.0	?
69	Blastp_CBE		66.25	99%	-140	- C1 -	5Q0W	11.0
63	Blastp_CBE		66.12	99%	-142	- C1 -	5Q10	10.6
74	Blastp_CBE		64.53	99%	-153	- C1 -	5Q0T	8.9
68	Blastp_CBE		64.02	99%	-163	- C1 -	5Q0X	12.3
106	Blastp_CBE		63.87	99%	-146	- C1 -	6A5Z	9.2
39	Blastp_CBE		63.49	99%	-148	- C1 -	5Q1E	10.2
78	Blastp_CBE		63.34	99%	-149	- C1 -	5Q0Q	10.7
113	Blastp_CBE		63.28	99%	-131	- C1 -	3P88	11.1
104	Blastp_CBE		61.66	99%	-125	- C1 -	3HC6	11.7
6	PsiBlast_PDB		61.51	99%	-155	- C1 -	3FLI	9.6
31	Blastp_CBE		61.22	99%	-136	- C1 -	5Q1I	10.3
108	Blastp_CBE		61.08	99%	-130	- C1 -	6A5X	11.7
126	Blastp_CBE		60.49	95%	-149	- C1 -	5Q0L	8.6	NR1H4_HUMAN
115	Blastp_CBE		60.31	98%	-141	- C1 -	5Y1J	9.1
125	Blastp_CBE		59.81	95%	-145	- C1 -	5Q0L	7.7
13	PsiBlast_PDB		59.02	100%	-141	- C1 -	5YXL	6.9	?
62	Blastp_CBE		58.81	99%	-154	- C1 -	5Q11	9.5
86	Blastp_CBE		57.99	99%	-139	- C1 -	5Q0M	10.6
119	Blastp_CBE		57.45	94%	-140	- C1 -	1OSV	9.9
52	Blastp_CBE		57.17	99%	-143	- C1 -	5Q17	9.5
114	Blastp_CBE		56.66	99%	-132	- C1 -	3GD2	12.1
77	Blastp_CBE		56.59	99%	-143	- C1 -	5Q0R	10.7
79	Blastp_CBE		56.51	99%	-148	- C1 -	5Q0Q	10.5	NR1H4_HUMAN
120	Blastp_CBE		56.11	94%	-143	- C1 -	1OSV	9.3	NR1H4_RAT
15	PsiBlast_PDB		55.88	100%	-140	- C1 -	4QE8	5.5	NR1H4_HUMAN
107	Blastp_CBE		55.85	99%	-148	- C1 -	6A5Z	10.2	NR1H4_HUMAN
103	Blastp_CBE		55.05	99%	-158	- C1 -	3FXV	11.5
121	Blastp_CBE		52.59	95%	-137	- C1 -	1OT7	8.6
25	Blastp_CBE		52.43	100%	-137	- C1 -	4QE8	4.9
23	Blastp_CBE		50.82	100%	-137	- C1 -	5YXJ	9.7	?
122	Blastp_CBE		50.55	95%	-130	- C1 -	1OT7	8.8	NR1H4_RAT
109	Blastp_CBE		47.67	99%	-134	- C1 -	3P89	12.2
17	PsiBlast_PDB		44.22	100%	-150	- C1 -	3L1B	10.6
16	PsiBlast_PDB		43.28	100%	-158	- C1 -	1OSH	11.1
22	Blastp_CBE		40.27	100%	-155	- C1 -	5YXL	7.3	?
105	Blastp_CBE		38.36	99%	-142	- C1 -	6A60	10.6
116	Blastp_CBE		37.47	99%	-138	- C1 -	4OIV	9.2
20	PsiBlast_PDB		36.71	100%	-152	- C1 -	5WZX	8.4	NR1H4_HUMAN
28	Blastp_CBE		31.63	100%	-142	- C1 -	5WZX	7.5
117	Blastp_CBE		26.30	99%	-153	- C1 -	4OIV	8.8	NR1H4_HUMAN
123	Blastp_CBE		9.05	100%	-130	- C1 -	4WVD	5.4
124	Blastp_CBE		6.65	100%	-128	- C1 -	4WVD	8.8	NR1H4_HUMAN