ISPD - BACSU - GREMLIN Contacts

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ISPD - 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase

UniProt:	Q06755	Sequences: MSYDVVIPAAGQGKRMKAGRNKLFIELKGDPVIIHTLRVFDSHRQCDKIILVINEQEREHFQQLLSDYPFQTSIELVAGGDERQHSVYKGLKAVKQEKIVLVHDGARPFIKHEQIDELIAEAEQTGAAILAVPVKDTIKRVQDLQVSETIERSSLWAVQTPQAFRLSLLMKAHAEAERKGFLGTDDASLVEQMEGGSVRVVEGSYTNIKLTTPDDLTSAEAIMESESGNKHV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	232 (220)
Sequences:	4395 (3474)
Seq/√Len:	234.2

ECOLI - ISPD
BACSU - ISPD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
30_D	38_R	3.620	1.00
140_R	148_E	2.721	1.00
52_V	90_G	2.663	1.00
118_L	163_A	2.608	1.00
31_P	34_I	2.565	1.00
82_E	85_H	2.543	1.00
131_A	200_V	2.430	1.00
102_V	169_L	2.423	1.00
32_V	210_L	2.400	1.00
111_K	204_S	2.382	1.00
55_E	78_A	2.252	1.00
88_Y	92_K	2.181	1.00
114_Q	130_L	2.058	1.00
43_H	116_D	2.053	1.00
141_V	200_V	2.036	1.00
113_E	117_E	2.015	1.00
168_L	190_V	2.004	1.00
166_L	170_M	1.997	1.00
140_R	154_S	1.952	1.00
101_L	163_A	1.941	1.00
45_Q	116_D	1.887	1.00
125_T	199_R	1.805	1.00
151_E	154_S	1.799	1.00
4_D	48_K	1.787	1.00
48_K	75_E	1.776	1.00
138_I	157_A	1.756	1.00
7_I	40_F	1.738	1.00
175_E	179_K	1.736	1.00
16_M	25_I	1.733	1.00
190_V	196_G	1.733	1.00
81_D	85_H	1.719	1.00
99_I	122_A	1.688	1.00
126_G	165_R	1.683	1.00
129_I	187_A	1.633	1.00
171_K	175_E	1.628	1.00
134_V	155_L	1.621	1.00
92_K	174_A	1.620	1.00
8_P	52_V	1.570	1.00
5_V	40_F	1.528	1.00
139_K	191_E	1.492	1.00
58_R	78_A	1.488	1.00
52_V	86_S	1.477	1.00
21_N	57_E	1.469	1.00
168_L	196_G	1.451	1.00
4_D	94_V	1.450	1.00
40_F	115_I	1.430	1.00
7_I	37_L	1.429	1.00
41_D	72_T	1.397	1.00
33_I	61_F	1.392	1.00
38_R	42_S	1.384	1.00
41_D	71_Q	1.377	1.00
129_I	158_V	1.377	1.00
122_A	126_G	1.362	1.00
101_L	119_I	1.360	1.00
138_I	155_L	1.353	1.00
139_K	149_T	1.350	1.00
26_E	29_G	1.350	1.00
149_T	191_E	1.336	1.00
111_K	114_Q	1.315	1.00
179_K	192_Q	1.309	1.00
140_R	150_I	1.301	1.00
137_T	149_T	1.300	1.00
82_E	182_L	1.300	1.00
118_L	201_V	1.294	1.00
134_V	157_A	1.289	1.00
135_K	205_Y	1.276	1.00
193_M	196_G	1.272	1.00
16_M	216_L	1.272	1.00
129_I	146_V	1.270	1.00
109_F	219_A	1.267	1.00
157_A	205_Y	1.264	1.00
141_V	156_W	1.263	1.00
159_Q	203_G	1.259	1.00
58_R	62_Q	1.243	1.00
118_L	130_L	1.241	1.00
131_A	156_W	1.235	1.00
48_K	95_K	1.233	1.00
30_D	35_H	1.233	1.00
34_I	38_R	1.232	1.00
42_S	112_H	1.228	1.00
30_D	34_I	1.217	1.00
18_A	25_I	1.216	1.00
117_E	202_E	1.196	1.00
190_V	193_M	1.195	1.00
145_Q	197_S	1.193	1.00
122_A	128_A	1.185	1.00
114_Q	204_S	1.185	1.00
217_T	221_A	1.184	1.00
173_H	189_L	1.184	1.00
10_A	79_G	1.183	1.00
134_V	138_I	1.179	1.00
121_E	201_V	1.165	1.00
43_H	46_C	1.157	1.00
167_S	171_K	1.153	1.00
137_T	184_T	1.146	1.00
28_K	220_E	1.143	1.00
41_D	73_S	1.142	1.00
181_F	192_Q	1.135	1.00
88_Y	177_E	1.128	1.00
53_I	76_L	1.127	1.00
53_I	61_F	1.121	1.00
110_I	115_I	1.117	1.00
132_V	203_G	1.104	1.00
183_G	189_L	1.102	1.00
91_L	100_V	1.102	1.00
94_V	166_L	1.098	1.00
122_A	163_A	1.096	1.00
28_K	224_E	1.095	1.00
89_K	92_K	1.083	1.00
173_H	186_D	1.083	1.00
171_K	196_G	1.081	1.00
6_V	90_G	1.073	1.00
208_I	218_S	1.069	1.00
170_M	174_A	1.066	1.00
39_V	110_I	1.060	1.00
84_Q	173_H	1.057	1.00
8_P	87_V	1.053	1.00
142_Q	147_S	1.048	1.00
172_A	193_M	1.037	1.00
132_V	159_Q	1.029	1.00
75_E	93_A	1.027	1.00
43_H	112_H	1.026	1.00
92_K	170_M	1.017	1.00
3_Y	119_I	1.016	1.00
77_V	93_A	1.009	1.00
95_K	170_M	1.005	1.00
165_R	168_L	0.999	1.00
14_K	82_E	0.983	1.00
132_V	205_Y	0.981	1.00
58_R	76_L	0.978	1.00
109_F	223_M	0.975	1.00
53_I	58_R	0.975	1.00
100_V	166_L	0.973	1.00
24_F	57_E	0.970	1.00
45_Q	120_A	0.969	1.00
27_L	219_A	0.964	1.00
85_H	177_E	0.964	1.00
130_L	156_W	0.962	1.00
41_D	49_I	0.961	1.00
164_F	190_V	0.954	1.00
220_E	224_E	0.953	1.00
136_D	157_A	0.943	1.00
84_Q	183_G	0.938	1.00
130_L	203_G	0.931	1.00
26_E	31_P	0.931	1.00
126_G	168_L	0.924	1.00
176_A	183_G	0.920	1.00
210_L	219_A	0.918	1.00
126_G	196_G	0.913	1.00
98_K	165_R	0.903	1.00
133_P	202_E	0.901	1.00
24_F	61_F	0.901	1.00
206_T	222_I	0.900	1.00
5_V	46_C	0.898	0.99
12_Q	54_N	0.897	0.99
217_T	220_E	0.895	0.99
99_I	163_A	0.895	0.99
36_T	39_V	0.894	0.99
183_G	188_S	0.894	0.99
110_I	114_Q	0.892	0.99
50_I	94_V	0.890	0.99
99_I	123_E	0.883	0.99
59_E	62_Q	0.882	0.99
183_G	192_Q	0.881	0.99
116_D	120_A	0.880	0.99
121_E	199_R	0.876	0.99
48_K	74_I	0.870	0.99
97_E	167_S	0.853	0.99
25_I	216_L	0.848	0.99
3_Y	46_C	0.843	0.99
109_F	208_I	0.839	0.99
135_K	212_T	0.839	0.99
60_H	63_Q	0.835	0.99
20_R	60_H	0.831	0.99
41_D	74_I	0.830	0.99
145_Q	199_R	0.830	0.99
139_K	146_V	0.822	0.99
85_H	89_K	0.815	0.99
174_A	178_R	0.810	0.99
138_I	150_I	0.806	0.99
98_K	166_L	0.805	0.99
176_A	189_L	0.805	0.99
80_G	85_H	0.805	0.99
208_I	222_I	0.805	0.99
9_A	33_I	0.802	0.99
37_L	65_L	0.800	0.99
121_E	128_A	0.798	0.99
173_H	177_E	0.797	0.99
50_I	77_V	0.794	0.99
171_K	174_A	0.792	0.99
146_V	158_V	0.782	0.99
54_N	57_E	0.778	0.99
34_I	68_Y	0.774	0.98
114_Q	117_E	0.774	0.98
218_S	221_A	0.770	0.98
39_V	112_H	0.768	0.98
169_L	186_D	0.767	0.98
31_P	35_H	0.766	0.98
77_V	89_K	0.765	0.98
175_E	178_R	0.760	0.98
205_Y	214_D	0.760	0.98
34_I	64_L	0.758	0.98
133_P	156_W	0.758	0.98
95_K	166_L	0.757	0.98
121_E	125_T	0.756	0.98
43_H	119_I	0.753	0.98
112_H	116_D	0.746	0.98
45_Q	123_E	0.746	0.98
8_P	36_T	0.745	0.98
176_A	181_F	0.743	0.98
88_Y	170_M	0.742	0.98
13_G	21_N	0.742	0.98
24_F	60_H	0.742	0.98
26_E	220_E	0.741	0.98
176_A	180_G	0.740	0.98
99_I	119_I	0.737	0.98
63_Q	67_D	0.736	0.98
184_T	188_S	0.733	0.98
99_I	165_R	0.729	0.98
62_Q	66_S	0.726	0.98
140_R	155_L	0.716	0.98
13_G	23_L	0.706	0.97
125_T	145_Q	0.703	0.97
21_N	54_N	0.702	0.97
122_A	165_R	0.697	0.97
88_Y	174_A	0.695	0.97
50_I	75_E	0.695	0.97
172_A	190_V	0.694	0.97
218_S	222_I	0.694	0.97
208_I	219_A	0.690	0.97
140_R	147_S	0.689	0.97
37_L	51_L	0.685	0.97
156_W	200_V	0.683	0.97
43_H	115_I	0.680	0.97
127_A	190_V	0.679	0.97
85_H	182_L	0.672	0.96
139_K	158_V	0.672	0.96
44_R	116_D	0.671	0.96
4_D	50_I	0.666	0.96
120_A	123_E	0.663	0.96
41_D	70_F	0.662	0.96
109_F	222_I	0.659	0.96
3_Y	99_I	0.657	0.96
6_V	50_I	0.652	0.96
134_V	150_I	0.651	0.96
127_A	164_F	0.647	0.95
50_I	93_A	0.646	0.95
150_I	155_L	0.643	0.95
114_Q	159_Q	0.639	0.95
31_P	64_L	0.634	0.95
87_V	102_V	0.633	0.95
137_T	152_R	0.632	0.95
169_L	173_H	0.628	0.95
160_T	185_D	0.628	0.95
162_Q	185_D	0.627	0.95
90_G	93_A	0.624	0.95
127_A	196_G	0.623	0.94
61_F	65_L	0.623	0.94
62_Q	76_L	0.622	0.94
10_A	54_N	0.621	0.94
16_M	213_P	0.615	0.94
24_F	53_I	0.613	0.94
35_H	223_M	0.612	0.94
4_D	166_L	0.610	0.94
21_N	24_F	0.610	0.94
84_Q	176_A	0.608	0.94
141_V	146_V	0.608	0.94
46_C	72_T	0.608	0.94
10_A	53_I	0.607	0.94
214_D	218_S	0.606	0.94
142_Q	154_S	0.606	0.94
121_E	124_Q	0.603	0.93
128_A	163_A	0.602	0.93
4_D	98_K	0.600	0.93
127_A	165_R	0.599	0.93
142_Q	145_Q	0.598	0.93
135_K	157_A	0.597	0.93
37_L	70_F	0.595	0.93
168_L	171_K	0.595	0.93
128_A	201_V	0.593	0.93
7_I	105_G	0.589	0.93
51_L	76_L	0.588	0.93
111_K	206_T	0.586	0.93
6_V	91_L	0.584	0.92
120_A	124_Q	0.581	0.92
150_I	154_S	0.580	0.92
36_T	106_A	0.580	0.92
185_D	189_L	0.577	0.92
87_V	173_H	0.570	0.91
129_I	139_K	0.566	0.91
46_C	119_I	0.566	0.91
46_C	101_L	0.562	0.91
34_I	67_D	0.561	0.91
84_Q	189_L	0.559	0.91
63_Q	66_S	0.558	0.91
87_V	186_D	0.558	0.91
12_Q	56_Q	0.555	0.90
8_P	106_A	0.555	0.90
101_L	118_L	0.552	0.90
86_S	90_G	0.552	0.90
130_L	201_V	0.551	0.90
77_V	90_G	0.549	0.90
131_A	158_V	0.547	0.90
184_T	189_L	0.542	0.89
104_D	160_T	0.538	0.89
169_L	190_V	0.535	0.89
45_Q	119_I	0.532	0.88
135_K	214_D	0.531	0.88
101_L	115_I	0.527	0.88
101_L	122_A	0.526	0.88
70_F	73_S	0.525	0.88
119_I	163_A	0.523	0.88
141_V	147_S	0.522	0.87
94_V	97_E	0.521	0.87
37_L	49_I	0.520	0.87
114_Q	207_N	0.518	0.87
7_I	36_T	0.518	0.87
126_G	197_S	0.518	0.87
110_I	130_L	0.517	0.87
99_I	126_G	0.515	0.87
8_P	105_G	0.513	0.87
206_T	217_T	0.512	0.86
94_V	100_V	0.511	0.86
93_A	96_Q	0.508	0.86
185_D	188_S	0.506	0.86
117_E	120_A	0.505	0.86
3_Y	47_D	0.503	0.86
23_L	106_A	0.501	0.85
111_K	207_N	0.501	0.85
186_D	191_E	0.500	0.85

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
4cvhA	2	0.9612	100	0.431	Contact Map
1w55A	4	0.9095	100	0.467	Contact Map
4mybA	2	0.9009	100	0.472	Contact Map
1i52A	2	0.9526	100	0.473	Contact Map
4zdqA	2	0.9569	100	0.475	Contact Map
2yc3A	2	0.9267	100	0.481	Contact Map
1vgwA	2	0.8879	100	0.484	Contact Map
3q80A	2	0.9397	100	0.488	Contact Map
2xwlA	2	0.9483	100	0.498	Contact Map
2vshA	2	0.9138	100	0.504	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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