PGMI - SULSO - GREMLIN Contacts

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PGMI - Bifunctional phosphoglucose/phosphomannose isomerase

UniProt:	Q97WE5	Sequences: MDEIYLNWDKMFDEAFRIPIHEIKNDNIVFSGIGGSGIVGEIANILGVELSFKRKFTGKESLIAVSYSGTTSETINDVENAVKAGSEVIIITSGGILEKLAKEKSLKLIKIPSGFQTRYAFPYLFTPLIKMTTKRRGIKINEMELKEGVIEAKEQIKADATRLAELLINRIPVIYSSKYLAIAKRFKQEINENAKHPAFYGEIPEINHNEIESYVHGPSLVSVIVESSEIDKITEDVLNSIVIKPYFNSDEKNISSLLALAGVTSLEMAKKLNEKPDKLYNIPKARQLTSNLFKIN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	296 (266)
Sequences:	5555 (3459)
Seq/√Len:	212.1

ECOLI - GLMS FRLB AGAS
BACSU - GLMS FRLB
HALSA - GLMS
SULSO - PGMI Q97YQ6 Q980D3 Q97W10

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
26_D	60_E	5.455	1.00
90_I	101_A	4.635	1.00
79_E	100_L	4.049	1.00
117_T	120_A	3.393	1.00
30_F	40_G	3.322	1.00
149_V	153_K	3.045	1.00
82_V	102_K	2.927	1.00
186_F	261_A	2.919	1.00
65_V	128_L	2.833	1.00
165_E	271_K	2.750	1.00
80_N	83_K	2.630	1.00
25_N	62_L	2.589	1.00
153_K	156_I	2.528	1.00
64_A	78_V	2.506	1.00
40_G	65_V	2.457	1.00
78_V	97_L	2.426	1.00
43_A	128_L	2.357	1.00
121_F	182_I	2.356	1.00
270_K	276_P	2.214	1.00
26_D	58_G	2.193	1.00
187_K	198_A	2.174	1.00
168_I	271_K	2.078	1.00
184_K	200_Y	2.070	1.00
148_G	155_Q	2.070	1.00
66_S	97_L	2.052	1.00
80_N	84_A	2.019	1.00
107_K	123_Y	1.980	1.00
37_G	41_E	1.967	1.00
166_L	239_N	1.934	1.00
70_T	96_I	1.931	1.00
58_G	61_S	1.916	1.00
27_N	49_E	1.908	1.00
29_V	61_S	1.887	1.00
148_G	153_K	1.886	1.00
227_S	250_D	1.863	1.00
57_T	86_S	1.844	1.00
137_G	142_E	1.836	1.00
92_T	98_E	1.755	1.00
267_E	271_K	1.739	1.00
245_P	257_L	1.726	1.00
191_N	199_F	1.725	1.00
87_E	103_E	1.689	1.00
49_E	54_R	1.680	1.00
62_L	89_I	1.676	1.00
98_E	104_K	1.654	1.00
28_I	62_L	1.643	1.00
121_F	258_L	1.642	1.00
46_L	129_I	1.638	1.00
146_K	153_K	1.630	1.00
158_A	161_T	1.613	1.00
76_N	79_E	1.590	1.00
151_E	154_E	1.578	1.00
35_G	117_T	1.570	1.00
156_I	259_A	1.569	1.00
134_K	138_I	1.566	1.00
64_A	88_V	1.566	1.00
147_E	150_I	1.561	1.00
275_K	278_K	1.523	1.00
161_T	267_E	1.521	1.00
233_I	238_L	1.515	1.00
52_F	202_E	1.475	1.00
223_V	261_A	1.467	1.00
133_T	136_R	1.417	1.00
159_D	162_R	1.399	1.00
49_E	53_K	1.399	1.00
28_I	63_I	1.390	1.00
30_F	63_I	1.390	1.00
151_E	155_Q	1.388	1.00
154_E	157_K	1.387	1.00
27_N	61_S	1.384	1.00
72_S	76_N	1.375	1.00
41_E	184_K	1.373	1.00
152_A	156_I	1.372	1.00
150_I	153_K	1.363	1.00
263_V	267_E	1.360	1.00
161_T	165_E	1.359	1.00
64_A	74_T	1.357	1.00
167_L	264_T	1.356	1.00
134_K	137_G	1.332	1.00
229_E	232_K	1.330	1.00
182_I	258_L	1.316	1.00
225_V	257_L	1.311	1.00
94_G	98_E	1.304	1.00
78_V	88_V	1.301	1.00
148_G	151_E	1.296	1.00
90_I	97_L	1.290	1.00
185_R	189_E	1.281	1.00
126_T	255_S	1.276	1.00
147_E	151_E	1.270	1.00
228_S	250_D	1.260	1.00
144_E	249_S	1.258	1.00
21_H	87_E	1.248	1.00
27_N	58_G	1.244	1.00
224_I	230_I	1.235	1.00
26_D	61_S	1.232	1.00
153_K	157_K	1.215	1.00
144_E	148_G	1.209	1.00
47_G	54_R	1.200	1.00
61_S	86_S	1.183	1.00
88_V	101_A	1.177	1.00
171_I	217_G	1.176	1.00
176_S	206_I	1.175	1.00
221_V	264_T	1.164	1.00
47_G	53_K	1.156	1.00
81_A	86_S	1.156	1.00
142_E	146_K	1.155	1.00
172_P	197_P	1.145	1.00
269_A	274_E	1.143	1.00
163_L	241_I	1.124	1.00
180_L	253_N	1.112	1.00
214_Y	238_L	1.108	1.00
79_E	83_K	1.107	1.00
226_E	230_I	1.105	1.00
264_T	268_M	1.104	1.00
94_G	99_K	1.096	1.00
64_A	81_A	1.076	1.00
31_S	77_D	1.072	1.00
223_V	257_L	1.069	1.00
105_S	127_P	1.064	1.00
24_K	60_E	1.052	1.00
173_V	196_H	1.051	1.00
171_I	215_V	1.044	1.00
214_Y	220_L	1.038	1.00
44_N	49_E	1.036	1.00
43_A	132_T	1.033	1.00
87_E	102_K	1.032	1.00
146_K	150_I	1.029	1.00
171_I	272_L	1.019	1.00
201_G	210_E	1.015	1.00
149_V	152_A	1.015	1.00
91_I	127_P	1.011	1.00
82_V	100_L	1.011	1.00
133_T	145_L	1.008	1.00
90_I	104_K	0.998	1.00
107_K	124_L	0.994	1.00
31_S	64_A	0.991	1.00
149_V	155_Q	0.991	1.00
47_G	50_L	0.990	1.00
148_G	249_S	0.989	1.00
21_H	24_K	0.984	1.00
162_R	165_E	0.981	1.00
33_I	71_T	0.973	1.00
78_V	101_A	0.970	1.00
25_N	87_E	0.969	1.00
108_L	111_I	0.969	1.00
25_N	61_S	0.966	1.00
30_F	50_L	0.964	1.00
146_K	149_V	0.955	1.00
180_L	257_L	0.953	1.00
98_E	106_L	0.944	0.99
48_V	51_S	0.941	0.99
49_E	52_F	0.939	0.99
164_A	264_T	0.935	0.99
192_E	208_H	0.931	0.99
75_I	79_E	0.931	0.99
76_N	80_N	0.931	0.99
110_K	119_Y	0.926	0.99
249_S	252_K	0.924	0.99
174_I	218_P	0.917	0.99
266_L	270_K	0.916	0.99
39_V	128_L	0.914	0.99
122_P	255_S	0.912	0.99
47_G	52_F	0.909	0.99
248_N	256_S	0.905	0.99
125_F	255_S	0.904	0.99
176_S	222_S	0.904	0.99
220_L	238_L	0.904	0.99
195_K	280_Y	0.904	0.99
175_Y	190_I	0.903	0.99
155_Q	256_S	0.895	0.99
145_L	149_V	0.894	0.99
186_F	223_V	0.884	0.99
132_T	136_R	0.875	0.99
75_I	96_I	0.872	0.99
48_V	54_R	0.872	0.99
234_T	240_S	0.871	0.99
121_F	181_A	0.868	0.99
35_G	189_E	0.864	0.99
47_G	51_S	0.860	0.99
122_P	262_G	0.859	0.99
48_V	53_K	0.853	0.99
186_F	258_L	0.852	0.99
35_G	188_Q	0.849	0.99
96_I	100_L	0.838	0.99
63_I	89_I	0.836	0.99
30_F	43_A	0.830	0.99
35_G	185_R	0.829	0.99
143_M	146_K	0.825	0.99
137_G	141_N	0.822	0.99
215_V	280_Y	0.822	0.99
155_Q	248_N	0.816	0.99
144_E	147_E	0.809	0.98
91_I	128_L	0.807	0.98
117_T	212_E	0.804	0.98
46_L	132_T	0.789	0.98
268_M	272_L	0.787	0.98
22_E	25_N	0.784	0.98
31_S	81_A	0.783	0.98
136_R	140_I	0.783	0.98
36_S	92_T	0.781	0.98
146_K	155_Q	0.781	0.98
51_S	54_R	0.781	0.98
95_G	98_E	0.781	0.98
188_Q	209_N	0.771	0.98
112_P	118_R	0.768	0.98
116_Q	193_N	0.761	0.98
248_N	252_K	0.755	0.98
46_L	179_Y	0.754	0.98
234_T	237_V	0.753	0.97
130_K	133_T	0.748	0.97
32_G	36_S	0.747	0.97
88_V	102_K	0.744	0.97
189_E	212_E	0.738	0.97
67_Y	117_T	0.737	0.97
183_A	223_V	0.736	0.97
196_H	272_L	0.732	0.97
131_M	135_R	0.730	0.97
173_V	190_I	0.728	0.97
133_T	139_K	0.727	0.97
124_L	128_L	0.715	0.97
94_G	106_L	0.715	0.97
207_N	211_I	0.712	0.97
133_T	141_N	0.711	0.96
160_A	263_V	0.711	0.96
167_L	173_V	0.710	0.96
196_H	268_M	0.710	0.96
189_E	262_G	0.708	0.96
112_P	119_Y	0.707	0.96
24_K	87_E	0.706	0.96
152_A	255_S	0.706	0.96
161_T	271_K	0.704	0.96
160_A	260_L	0.702	0.96
150_I	154_E	0.699	0.96
148_G	152_A	0.699	0.96
180_L	223_V	0.698	0.96
194_A	274_E	0.695	0.96
25_N	60_E	0.693	0.96
82_V	88_V	0.687	0.96
206_I	211_I	0.679	0.95
143_M	151_E	0.676	0.95
137_G	140_I	0.676	0.95
233_I	240_S	0.674	0.95
176_S	233_I	0.672	0.95
33_I	205_E	0.672	0.95
67_Y	93_S	0.664	0.95
163_L	264_T	0.663	0.95
185_R	262_G	0.663	0.95
67_Y	119_Y	0.662	0.95
48_V	52_F	0.658	0.95
185_R	188_Q	0.655	0.94
172_P	218_P	0.655	0.94
279_L	282_I	0.654	0.94
267_E	270_K	0.654	0.94
161_T	270_K	0.652	0.94
175_Y	221_V	0.648	0.94
189_E	279_L	0.647	0.94
73_E	204_P	0.647	0.94
136_R	141_N	0.646	0.94
67_Y	112_P	0.645	0.94
29_V	58_G	0.645	0.94
57_T	61_S	0.645	0.94
42_I	182_I	0.644	0.94
30_F	48_V	0.643	0.94
160_A	264_T	0.639	0.94
227_S	230_I	0.639	0.94
145_L	249_S	0.636	0.94
41_E	181_A	0.636	0.94
21_H	25_N	0.635	0.94
113_S	278_K	0.635	0.94
159_D	163_L	0.626	0.93
38_I	185_R	0.622	0.93
64_A	101_A	0.619	0.93
115_F	277_D	0.619	0.93
116_Q	119_Y	0.618	0.93
189_E	277_D	0.618	0.93
35_G	212_E	0.618	0.93
256_S	259_A	0.611	0.92
118_R	189_E	0.608	0.92
33_I	73_E	0.606	0.92
97_L	101_A	0.605	0.92
129_I	145_L	0.604	0.92
129_I	251_E	0.603	0.92
20_I	24_K	0.601	0.92
176_S	183_A	0.601	0.92
207_N	283_P	0.600	0.91
250_D	253_N	0.599	0.91
126_T	152_A	0.599	0.91
132_T	135_R	0.598	0.91
67_Y	116_Q	0.598	0.91
74_T	77_D	0.597	0.91
67_Y	207_N	0.596	0.91
42_I	181_A	0.596	0.91
174_I	206_I	0.594	0.91
248_N	253_N	0.593	0.91
212_E	280_Y	0.592	0.91
178_K	229_E	0.592	0.91
145_L	153_K	0.591	0.91
133_T	142_E	0.590	0.91
180_L	225_V	0.589	0.91
42_I	254_I	0.589	0.91
181_A	184_K	0.588	0.91
115_F	119_Y	0.587	0.91
22_E	135_R	0.587	0.91
37_G	52_F	0.585	0.90
46_L	251_E	0.582	0.90
206_I	214_Y	0.582	0.90
182_I	223_V	0.579	0.90
63_I	131_M	0.578	0.90
185_R	277_D	0.578	0.90
20_I	23_I	0.576	0.90
92_T	126_T	0.575	0.90
64_A	97_L	0.575	0.90
227_S	253_N	0.575	0.90
138_I	141_N	0.575	0.90
143_M	156_I	0.573	0.90
66_S	69_G	0.573	0.90
150_I	156_I	0.573	0.90
152_A	155_Q	0.572	0.89
69_G	192_E	0.572	0.89
38_I	41_E	0.572	0.89
27_N	52_F	0.571	0.89
98_E	101_A	0.571	0.89
150_I	155_Q	0.568	0.89
233_I	236_D	0.563	0.89
120_A	285_A	0.563	0.89
245_P	248_N	0.563	0.89
121_F	125_F	0.562	0.89
164_A	271_K	0.559	0.88
114_G	210_E	0.559	0.88
142_E	153_K	0.558	0.88
158_A	162_R	0.558	0.88
244_K	247_F	0.558	0.88
73_E	207_N	0.557	0.88
118_R	185_R	0.556	0.88
38_I	184_K	0.554	0.88
190_I	194_A	0.552	0.88
162_R	166_L	0.549	0.87
41_E	44_N	0.549	0.87
123_Y	126_T	0.548	0.87
203_I	207_N	0.548	0.87
79_E	99_K	0.547	0.87
207_N	212_E	0.547	0.87
125_F	129_I	0.545	0.87
146_K	152_A	0.543	0.87
146_K	154_E	0.542	0.87
164_A	267_E	0.542	0.87
115_F	282_I	0.542	0.87
206_I	233_I	0.541	0.87
170_R	239_N	0.541	0.87
91_I	107_K	0.539	0.86
30_F	128_L	0.538	0.86
94_G	104_K	0.538	0.86
262_G	279_L	0.537	0.86
163_L	167_L	0.536	0.86
144_E	159_D	0.535	0.86
143_M	147_E	0.534	0.86
220_L	233_I	0.534	0.86
138_I	142_E	0.533	0.86
32_G	40_G	0.531	0.86
112_P	116_Q	0.530	0.86
81_A	85_G	0.530	0.86
126_T	130_K	0.530	0.86
69_G	208_H	0.529	0.85
55_K	80_N	0.529	0.85
104_K	108_L	0.528	0.85
72_S	285_A	0.528	0.85
207_N	213_S	0.526	0.85
181_A	187_K	0.525	0.85
168_I	268_M	0.525	0.85
148_G	248_N	0.524	0.85
205_E	281_N	0.523	0.85
124_L	211_I	0.522	0.85
146_K	156_I	0.521	0.85
136_R	142_E	0.520	0.84
175_Y	186_F	0.520	0.84
36_S	210_E	0.517	0.84
145_L	148_G	0.516	0.84
112_P	185_R	0.516	0.84
133_T	137_G	0.516	0.84
216_H	237_V	0.515	0.84
167_L	268_M	0.514	0.84
195_K	212_E	0.513	0.84
117_T	124_L	0.513	0.84
35_G	210_E	0.513	0.84
75_I	100_L	0.512	0.84
253_N	257_L	0.512	0.84
188_Q	192_E	0.510	0.83
27_N	47_G	0.508	0.83
112_P	115_F	0.508	0.83
26_D	59_K	0.508	0.83
67_Y	185_R	0.508	0.83
187_K	200_Y	0.507	0.83
67_Y	110_K	0.506	0.83
173_V	219_S	0.506	0.83
133_T	138_I	0.504	0.83
144_E	149_V	0.504	0.83
73_E	195_K	0.502	0.82
24_K	83_K	0.501	0.82
268_M	271_K	0.500	0.82

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
3fj1A	2	0.9392	100	0.319	Contact Map
3hbaA	2	0.9054	100	0.319	Contact Map
2zj3A	2	0.9764	100	0.335	Contact Map
1moqA	2	0.973	100	0.339	Contact Map
3tbfA	2	0.9426	100	0.343	Contact Map
3g68A	3	0.9865	100	0.346	Contact Map
3knzA	2	0.8885	100	0.346	Contact Map
4amvA	2	0.9764	100	0.349	Contact Map
2pocA	4	0.9358	100	0.35	Contact Map
4s1wA	2	0.9324	100	0.355	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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