CITG - ECOLI - GREMLIN Contacts

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CITG - 2-(5''-triphosphoribosyl)-3'-dephosphocoenzyme-A synthase

UniProt:	P77231	Sequences: MSMPATSTKTTKLATSLIDEYALLGWRAMLTEVNLSPKPGLVDRINCGAHKDMALEDFHRSALAIQGWLPRFIEFGACSAEMAPEAVLHGLRPIGMACEGDMFRATAGVNTHKGSIFSLGLLCAAIGRLLQLNQPVTPTTVCSTAASFCRGLTDRELRTNNSQLTAGQRLYQQLGLTGARGEAEAGYPLVINHALPHYLTLLDQGLDPELALLDTLLLLMAINGDTNVASRGGEGGLRWLQREAQTLLQKGGIRTPADLDYLRQFDRECIERNLSPGGSADLLILTWFLAQI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13539
Length:	292 (263)
Sequences:	1100 (816)
Seq/√Len:	50.3

ECOLI - CITG
SULSO - Q980R8

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
142_C	191_I	3.530	1.00
194_A	286_T	3.368	1.00
233_G	236_G	3.300	1.00
228_V	240_L	3.269	1.00
185_A	188_P	3.128	1.00
51_K	273_N	3.008	1.00
46_N	266_D	2.974	1.00
68_W	98_C	2.966	1.00
36_S	45_I	2.963	1.00
255_T	258_D	2.737	1.00
91_L	124_A	2.701	1.00
75_F	94_I	2.631	1.00
251_G	258_D	2.623	1.00
240_L	269_C	2.595	1.00
36_S	43_D	2.542	1.00
265_F	269_C	2.440	1.00
228_V	274_L	2.425	1.00
232_G	236_G	2.389	1.00
21_Y	123_C	2.381	1.00
166_A	230_S	2.321	1.00
36_S	44_R	2.307	1.00
243_E	268_E	2.305	1.00
232_G	274_L	2.300	1.00
220_M	240_L	2.295	1.00
123_C	127_G	2.290	1.00
151_G	184_E	2.224	1.00
29_M	115_S	2.201	1.00
252_G	258_D	2.147	1.00
34_N	59_H	2.079	1.00
176_L	229_A	2.006	1.00
142_C	145_A	1.999	1.00
34_N	55_L	1.963	0.99
219_L	223_N	1.958	0.99
182_E	189_L	1.947	0.99
214_D	252_G	1.935	0.99
189_L	223_N	1.928	0.99
76_G	127_G	1.925	0.99
212_L	287_W	1.922	0.99
216_L	220_M	1.912	0.99
214_D	251_G	1.885	0.99
166_A	170_L	1.882	0.99
277_G	281_D	1.872	0.99
49_A	270_I	1.833	0.99
207_D	210_L	1.824	0.99
195_L	286_T	1.823	0.99
141_V	144_T	1.806	0.99
177_T	181_G	1.776	0.99
23_L	66_Q	1.773	0.99
197_H	201_L	1.735	0.99
61_S	102_M	1.725	0.99
34_N	44_R	1.714	0.99
247_L	258_D	1.705	0.99
149_C	152_L	1.694	0.98
25_G	119_L	1.656	0.98
22_A	26_W	1.636	0.98
103_F	113_K	1.601	0.98
79_S	87_V	1.597	0.98
53_M	109_V	1.593	0.98
141_V	289_L	1.584	0.98
71_R	97_A	1.572	0.97
266_D	270_I	1.556	0.97
126_I	141_V	1.549	0.97
21_Y	127_G	1.484	0.96
30_L	62_A	1.481	0.96
110_N	281_D	1.480	0.96
36_S	46_N	1.459	0.96
153_T	157_L	1.455	0.96
197_H	218_L	1.453	0.96
25_G	288_F	1.449	0.96
118_S	179_A	1.436	0.96
214_D	258_D	1.428	0.96
151_G	155_R	1.419	0.95
193_H	222_I	1.381	0.95
43_D	46_N	1.358	0.94
153_T	156_E	1.353	0.94
53_M	58_F	1.331	0.93
65_I	69_L	1.325	0.93
224_G	241_Q	1.317	0.93
65_I	98_C	1.315	0.93
31_T	60_R	1.308	0.93
238_R	241_Q	1.300	0.93
183_A	187_Y	1.296	0.93
266_D	269_C	1.294	0.92
229_A	237_L	1.267	0.92
61_S	112_H	1.264	0.92
223_N	279_S	1.259	0.91
170_L	230_S	1.242	0.91
119_L	284_I	1.226	0.90
26_W	66_Q	1.210	0.90
121_L	183_A	1.206	0.90
215_T	286_T	1.199	0.89
76_G	124_A	1.196	0.89
50_H	227_N	1.194	0.89
236_G	274_L	1.190	0.89
115_S	179_A	1.185	0.89
102_M	106_T	1.184	0.89
53_M	111_T	1.183	0.89
25_G	65_I	1.174	0.88
243_E	265_F	1.171	0.88
217_L	262_L	1.150	0.87
67_G	101_D	1.147	0.87
251_G	255_T	1.129	0.86
106_T	109_V	1.128	0.86
43_D	266_D	1.113	0.85
73_I	123_C	1.108	0.85
118_S	285_L	1.106	0.85
239_W	243_E	1.097	0.85
144_T	148_F	1.093	0.84
270_I	273_N	1.077	0.83
37_P	43_D	1.075	0.83
110_N	277_G	1.055	0.82
194_A	218_L	1.054	0.82
252_G	255_T	1.049	0.82
277_G	280_A	1.042	0.81
26_W	62_A	1.035	0.81
237_L	241_Q	1.035	0.81
262_L	266_D	1.034	0.81
153_T	184_E	1.027	0.80
140_T	144_T	1.023	0.80
61_S	111_T	1.011	0.79
88_L	92_R	1.009	0.79
92_R	117_F	1.007	0.79
194_A	219_L	1.005	0.79
145_A	149_C	1.002	0.79
220_M	244_A	0.981	0.77
102_M	111_T	0.981	0.77
181_G	185_A	0.980	0.77
44_R	55_L	0.978	0.77
74_E	78_C	0.968	0.76
247_L	250_K	0.966	0.76
122_L	285_L	0.966	0.76
250_K	261_Y	0.965	0.76
30_L	34_N	0.963	0.76
88_L	117_F	0.959	0.76
117_F	227_N	0.959	0.76
102_M	231_R	0.957	0.75
71_R	94_I	0.950	0.75
21_Y	73_I	0.947	0.75
236_G	239_W	0.946	0.75
91_L	228_V	0.939	0.74
178_G	231_R	0.925	0.73
50_H	53_M	0.919	0.72
247_L	252_G	0.918	0.72
112_H	115_S	0.916	0.72
285_L	289_L	0.916	0.72
43_D	113_K	0.914	0.72
219_L	279_S	0.914	0.72
79_S	128_R	0.911	0.72
229_A	234_E	0.901	0.71
190_V	289_L	0.900	0.71
19_D	70_P	0.898	0.71
221_A	244_A	0.883	0.69
217_L	244_A	0.883	0.69
190_V	196_P	0.881	0.69
122_L	145_A	0.879	0.69
33_V	55_L	0.878	0.69
148_F	157_L	0.877	0.69
147_S	150_R	0.869	0.68
242_R	246_T	0.865	0.68
37_P	213_L	0.861	0.67
64_A	101_D	0.859	0.67
122_L	289_L	0.858	0.67
38_K	187_Y	0.857	0.67
30_L	63_L	0.849	0.66
216_L	283_L	0.847	0.66
99_E	116_I	0.836	0.65
112_H	116_I	0.834	0.65
149_C	156_E	0.834	0.65
33_V	62_A	0.830	0.65
200_T	204_Q	0.829	0.64
46_N	270_I	0.828	0.64
62_A	67_G	0.828	0.64
189_L	219_L	0.826	0.64
73_I	126_I	0.825	0.64
49_A	274_L	0.823	0.64
115_S	288_F	0.823	0.64
128_R	144_T	0.821	0.64
123_C	288_F	0.819	0.64
152_L	157_L	0.815	0.63
206_L	210_L	0.813	0.63
220_M	228_V	0.813	0.63
40_G	111_T	0.810	0.63
149_C	183_A	0.808	0.62
52_D	110_N	0.806	0.62
138_P	141_V	0.795	0.61
58_F	110_N	0.791	0.61
56_E	209_E	0.787	0.60
42_V	52_D	0.783	0.60
33_V	58_F	0.782	0.60
167_G	171_Y	0.779	0.60
147_S	157_L	0.779	0.60
87_V	128_R	0.778	0.60
49_A	266_D	0.778	0.60
189_L	279_S	0.769	0.59
243_E	246_T	0.765	0.58
55_L	59_H	0.763	0.58
178_G	181_G	0.763	0.58
95_G	178_G	0.763	0.58
205_G	211_A	0.754	0.57
131_Q	267_R	0.753	0.57
268_E	272_R	0.751	0.57
52_D	231_R	0.750	0.57
102_M	110_N	0.749	0.57
88_L	96_M	0.744	0.56
42_V	53_M	0.742	0.56
91_L	123_C	0.741	0.56
169_R	230_S	0.741	0.56
170_L	220_M	0.738	0.55
92_R	227_N	0.736	0.55
95_G	117_F	0.735	0.55
234_E	238_R	0.733	0.55
145_A	150_R	0.733	0.55
112_H	278_G	0.733	0.55
170_L	226_T	0.732	0.55
278_G	283_L	0.731	0.55
92_R	180_R	0.729	0.55
68_W	101_D	0.728	0.54
197_H	214_D	0.717	0.53
145_A	148_F	0.716	0.53
55_L	262_L	0.715	0.53
118_S	191_I	0.712	0.53
198_Y	286_T	0.709	0.53
129_L	144_T	0.709	0.53
109_V	118_S	0.704	0.52
263_R	267_R	0.704	0.52
214_D	253_I	0.703	0.52
230_S	284_I	0.700	0.52
43_D	112_H	0.697	0.51
42_V	110_N	0.694	0.51
182_E	224_G	0.691	0.51
179_A	226_T	0.690	0.51
233_G	262_L	0.688	0.50
242_R	245_Q	0.687	0.50
88_L	149_C	0.686	0.50
154_D	157_L	0.683	0.50
208_P	290_A	0.683	0.50
32_E	110_N	0.682	0.50
63_L	66_Q	0.682	0.50
95_G	283_L	0.680	0.50
95_G	278_G	0.679	0.49
219_L	282_L	0.675	0.49
50_H	231_R	0.675	0.49
38_K	43_D	0.673	0.49
32_E	281_D	0.673	0.49
93_P	97_A	0.668	0.48
258_D	261_Y	0.666	0.48
92_R	156_E	0.666	0.48
65_I	106_T	0.665	0.48
112_H	183_A	0.664	0.48
198_Y	290_A	0.664	0.48
190_V	285_L	0.663	0.48
220_M	269_C	0.662	0.48
32_E	277_G	0.659	0.47
218_L	221_A	0.659	0.47
40_G	276_P	0.658	0.47
191_I	289_L	0.654	0.47
246_T	264_Q	0.653	0.47
47_C	54_A	0.653	0.47
137_T	147_S	0.653	0.47
50_H	106_T	0.652	0.47
152_L	156_E	0.651	0.47
176_L	226_T	0.651	0.47
52_D	281_D	0.649	0.46
35_L	38_K	0.648	0.46
164_L	172_Q	0.644	0.46
95_G	120_G	0.641	0.46
92_R	152_L	0.641	0.46
126_I	288_F	0.641	0.46
40_G	274_L	0.640	0.45
216_L	279_S	0.640	0.45
143_S	147_S	0.639	0.45
26_W	63_L	0.638	0.45
95_G	102_M	0.631	0.45
29_M	183_A	0.628	0.44
112_H	227_N	0.628	0.44
213_L	258_D	0.625	0.44
50_H	178_G	0.622	0.44
62_A	191_I	0.622	0.44
244_A	269_C	0.620	0.43
117_F	278_G	0.619	0.43
136_V	140_T	0.616	0.43
178_G	278_G	0.616	0.43
113_K	278_G	0.616	0.43
102_M	112_H	0.612	0.43
115_S	230_S	0.612	0.43
28_A	69_L	0.611	0.43
176_L	230_S	0.611	0.43
35_L	212_L	0.611	0.43
49_A	276_P	0.610	0.42
198_Y	208_P	0.607	0.42
171_Y	180_R	0.605	0.42
227_N	275_S	0.603	0.42
136_V	161_N	0.603	0.42
194_A	215_T	0.602	0.42
247_L	265_F	0.602	0.42
57_D	109_V	0.601	0.42
57_D	111_T	0.599	0.41
206_L	214_D	0.594	0.41
204_Q	245_Q	0.594	0.41
217_L	247_L	0.591	0.41
239_W	272_R	0.589	0.40
228_V	276_P	0.588	0.40
198_Y	287_W	0.587	0.40
228_V	269_C	0.586	0.40
41_L	275_S	0.586	0.40
72_F	116_I	0.585	0.40
68_W	72_F	0.585	0.40
99_E	278_G	0.584	0.40
100_G	256_P	0.584	0.40
265_F	274_L	0.583	0.40
247_L	262_L	0.583	0.40
195_L	199_L	0.581	0.40
32_E	42_V	0.581	0.40
100_G	199_L	0.581	0.40
102_M	167_G	0.581	0.40
27_R	31_T	0.580	0.39
111_T	281_D	0.574	0.39
214_D	254_R	0.574	0.39
32_E	52_D	0.574	0.39
144_T	149_C	0.573	0.39
88_L	148_F	0.572	0.39
101_D	104_R	0.571	0.39
112_H	230_S	0.571	0.39
141_V	145_A	0.570	0.38
35_L	213_L	0.569	0.38
92_R	168_Q	0.568	0.38
185_A	260_D	0.566	0.38
118_S	227_N	0.566	0.38
149_C	170_L	0.566	0.38
155_R	184_E	0.566	0.38
97_A	100_G	0.563	0.38
189_L	229_A	0.562	0.38
72_F	76_G	0.562	0.38
92_R	157_L	0.562	0.38
41_L	99_E	0.561	0.38
35_L	232_G	0.559	0.37
42_V	58_F	0.558	0.37
220_M	279_S	0.557	0.37
145_A	157_L	0.556	0.37
29_M	119_L	0.555	0.37
95_G	231_R	0.554	0.37
267_R	271_E	0.552	0.37
106_T	275_S	0.551	0.37
149_C	153_T	0.550	0.37
102_M	281_D	0.550	0.37
29_M	69_L	0.549	0.36
245_Q	249_Q	0.547	0.36
78_C	90_G	0.546	0.36
44_R	209_E	0.546	0.36
221_A	245_Q	0.545	0.36
35_L	209_E	0.544	0.36
53_M	117_F	0.544	0.36
31_T	212_L	0.544	0.36
91_L	199_L	0.544	0.36
132_L	250_K	0.543	0.36
25_G	112_H	0.543	0.36
122_L	288_F	0.539	0.35
95_G	99_E	0.539	0.35
25_G	102_M	0.538	0.35
41_L	50_H	0.537	0.35
71_R	260_D	0.536	0.35
113_K	171_Y	0.534	0.35
190_V	282_L	0.532	0.35
276_P	284_I	0.532	0.35
75_F	90_G	0.532	0.35
102_M	116_I	0.532	0.35
177_T	185_A	0.532	0.35
117_F	180_R	0.532	0.35
128_R	217_L	0.527	0.34
53_M	110_N	0.526	0.34
141_V	155_R	0.520	0.34
19_D	67_G	0.520	0.34
38_K	227_N	0.520	0.34
122_L	187_Y	0.518	0.34
170_L	228_V	0.518	0.34
213_L	262_L	0.516	0.33
204_Q	267_R	0.515	0.33
99_E	102_M	0.510	0.33
286_T	290_A	0.510	0.33
142_C	149_C	0.508	0.33
101_D	126_I	0.508	0.33
141_V	152_L	0.507	0.33
21_Y	47_C	0.507	0.33
218_L	248_L	0.506	0.32
121_L	244_A	0.506	0.32
107_A	150_R	0.506	0.32
145_A	152_L	0.505	0.32
174_L	234_E	0.505	0.32
50_H	109_V	0.504	0.32
35_L	283_L	0.503	0.32
232_G	286_T	0.503	0.32
108_G	145_A	0.501	0.32
118_S	187_Y	0.500	0.32
262_L	269_C	0.500	0.32

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
3h9pA	2	0.7158	100	0.355	Contact Map
2w4sA	2	0.2158	13.7	0.968	Contact Map
2xc7A	1	0.2397	11.3	0.969	Contact Map
4a4zA	1	0.3836	9.3	0.97	Contact Map
4qu4A	1	0.3459	7.1	0.972	Contact Map
1e91A	1	0.2808	6.5	0.972	Contact Map
4u4cA	1	0.3801	6.3	0.972	Contact Map
2cr7A	1	0.2705	6.1	0.972	Contact Map
1g1eB	1	0.2842	5.2	0.973	Contact Map
2czyA	1	0.2568	5.1	0.973	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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