MRAY - BACSU - GREMLIN Contacts

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MRAY - Phospho-N-acetylmuramoyl-pentapeptide-transferase

UniProt:	Q03521	Sequences: MLEQVILFTILMGFLISVLLSPILIPFLRRLKFGQSIREEGPKSHQKKSGTPTMGGVMIILSIIVTTIVMTQKFSEISPEMVLLLFVTLGYGLLGFLDDYIKVVMKRNLGLTSKQKLIGQIIIAVVFYAVYHYYNFATDIRIPGTDLSFDLGWAYFILVLFMLVGGSNAVNLTDGLDGLLSGTAAIAFGAFAILAWNQSQYDVAIFSVAVVGAVLGFLVFNAHPAKVFMGDTGSLALGGAIVTIAILTKLEILLVIIGGVFVIETLSVILQVISFKTTGKRIFKMSPLHHHYELVGWSEWRVVVTFWAAGLLLAVLGIYIEVWL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	324 (296)
Sequences:	6688 (4383)
Seq/√Len:	254.7

ECOLI - MRAY WECA
BACSU - MRAY TAGO
SULSO - GPT

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
270_L	282_I	4.484	1.00
190_A	314_A	4.183	1.00
182_G	307_W	3.969	1.00
192_A	208_V	3.514	1.00
207_S	244_I	3.504	1.00
284_K	295_V	3.481	1.00
112_T	115_Q	3.397	1.00
90_G	123_I	2.764	1.00
185_A	211_V	2.744	1.00
59_I	229_M	2.632	1.00
127_F	243_T	2.536	1.00
88_T	236_A	2.508	1.00
163_L	242_V	2.478	1.00
189_G	211_V	2.395	1.00
97_L	101_I	2.393	1.00
60_I	92_G	2.386	1.00
298_S	301_R	2.219	1.00
60_I	89_L	2.183	1.00
274_S	278_T	2.148	1.00
87_V	239_G	2.132	1.00
181_S	214_V	2.127	1.00
42_P	45_H	2.109	1.00
259_G	313_L	2.086	1.00
62_S	66_T	2.063	1.00
170_V	184_A	2.018	1.00
181_S	218_L	2.004	1.00
210_V	240_A	1.962	1.00
94_L	119_G	1.948	1.00
275_F	279_G	1.934	1.00
64_I	89_L	1.902	1.00
206_F	240_A	1.900	1.00
63_I	210_V	1.840	1.00
274_S	277_T	1.834	1.00
273_I	277_T	1.828	1.00
125_V	129_A	1.827	1.00
29_R	33_F	1.775	1.00
121_I	160_L	1.769	1.00
210_V	237_L	1.762	1.00
116_K	120_Q	1.738	1.00
276_K	282_I	1.733	1.00
184_A	188_F	1.719	1.00
128_Y	160_L	1.698	1.00
188_F	210_V	1.686	1.00
195_A	248_T	1.671	1.00
125_V	160_L	1.639	1.00
192_A	207_S	1.632	1.00
128_Y	159_V	1.629	1.00
288_L	292_Y	1.610	1.00
154_A	157_I	1.608	1.00
183_T	310_G	1.602	1.00
96_F	100_Y	1.575	1.00
59_I	213_A	1.562	1.00
274_S	282_I	1.558	1.00
153_W	157_I	1.552	1.00
87_V	127_F	1.551	1.00
116_K	235_L	1.546	1.00
222_A	304_V	1.538	1.00
297_W	305_T	1.531	1.00
185_A	215_L	1.513	1.00
117_L	120_Q	1.510	1.00
187_A	310_G	1.510	1.00
27_F	30_R	1.495	1.00
181_S	185_A	1.468	1.00
187_A	241_I	1.467	1.00
196_W	204_A	1.464	1.00
121_I	164_V	1.441	1.00
159_V	246_I	1.428	1.00
140_I	143_P	1.427	1.00
266_L	270_L	1.420	1.00
128_Y	156_F	1.418	1.00
175_G	289_H	1.405	1.00
287_P	291_H	1.400	1.00
188_F	211_V	1.394	1.00
60_I	236_A	1.372	1.00
184_A	237_L	1.372	1.00
93_L	97_L	1.369	1.00
186_I	307_W	1.355	1.00
287_P	290_H	1.349	1.00
177_D	224_P	1.348	1.00
21_S	62_S	1.331	1.00
271_Q	274_S	1.323	1.00
188_F	241_I	1.313	1.00
92_G	232_T	1.308	1.00
171_N	231_D	1.297	1.00
66_T	209_A	1.294	1.00
142_I	145_T	1.291	1.00
301_R	305_T	1.289	1.00
124_A	160_L	1.287	1.00
214_V	237_L	1.284	1.00
287_P	292_Y	1.283	1.00
304_V	308_A	1.253	1.00
223_H	300_W	1.244	1.00
59_I	214_V	1.230	1.00
24_L	58_M	1.225	1.00
38_R	41_G	1.222	1.00
18_V	216_G	1.220	1.00
64_I	85_L	1.206	1.00
26_P	29_R	1.203	1.00
263_I	288_L	1.203	1.00
209_A	212_G	1.196	1.00
186_I	314_A	1.195	1.00
162_M	166_G	1.187	1.00
310_G	314_A	1.182	1.00
121_I	125_V	1.177	1.00
124_A	163_L	1.175	1.00
21_S	58_M	1.154	1.00
168_N	171_N	1.153	1.00
94_L	123_I	1.148	1.00
17_S	216_G	1.146	1.00
83_L	130_V	1.143	1.00
163_L	243_T	1.140	1.00
16_I	62_S	1.140	1.00
167_S	235_L	1.136	1.00
117_L	164_V	1.126	1.00
216_G	220_F	1.126	1.00
124_A	164_V	1.124	1.00
91_Y	124_A	1.120	1.00
51_T	228_F	1.119	1.00
188_F	207_S	1.115	1.00
41_G	44_S	1.111	1.00
127_F	163_L	1.111	1.00
187_A	257_I	1.111	1.00
170_V	180_L	1.109	1.00
86_F	126_V	1.106	1.00
268_V	272_V	1.104	1.00
155_Y	159_V	1.103	1.00
26_P	30_R	1.098	1.00
172_L	268_V	1.094	1.00
192_A	211_V	1.094	1.00
181_S	229_M	1.085	1.00
23_I	27_F	1.084	1.00
162_M	245_A	1.082	1.00
84_L	203_V	1.080	1.00
51_T	225_A	1.073	1.00
120_Q	235_L	1.069	1.00
27_F	31_L	1.068	1.00
22_P	26_P	1.066	1.00
184_A	214_V	1.063	1.00
25_I	227_V	1.052	1.00
86_F	90_G	1.048	1.00
88_T	240_A	1.041	1.00
62_S	65_V	1.037	1.00
267_S	275_F	1.037	1.00
184_A	241_I	1.035	1.00
120_Q	167_S	1.030	1.00
95_G	235_L	1.029	1.00
91_Y	123_I	1.023	1.00
91_Y	239_G	1.022	1.00
212_G	216_G	1.019	1.00
47_K	228_F	1.016	1.00
257_I	317_G	1.011	1.00
44_S	47_K	1.011	1.00
186_I	310_G	1.008	1.00
90_G	119_G	1.006	1.00
24_L	61_L	1.002	1.00
236_A	240_A	0.998	1.00
159_V	163_L	0.992	1.00
297_W	301_R	0.990	1.00
173_T	183_T	0.987	1.00
195_A	203_V	0.984	1.00
192_A	195_A	0.983	1.00
120_Q	164_V	0.981	1.00
18_V	219_V	0.980	1.00
12_M	70_M	0.972	1.00
218_L	222_A	0.972	1.00
117_L	121_I	0.970	1.00
29_R	226_K	0.967	1.00
192_A	196_W	0.955	1.00
188_F	214_V	0.952	1.00
264_E	289_H	0.951	1.00
63_I	88_T	0.950	1.00
87_V	123_I	0.950	1.00
116_K	167_S	0.947	1.00
219_V	305_T	0.944	1.00
22_P	220_F	0.940	1.00
190_A	318_I	0.939	1.00
195_A	204_A	0.934	1.00
215_L	219_V	0.934	1.00
129_A	133_Y	0.930	1.00
281_R	284_K	0.925	1.00
138_T	150_D	0.925	1.00
287_P	294_L	0.923	1.00
150_D	154_A	0.920	1.00
165_G	265_T	0.920	1.00
63_I	213_A	0.918	1.00
165_G	269_I	0.918	1.00
190_A	257_I	0.918	1.00
189_G	193_I	0.917	1.00
176_L	303_V	0.908	1.00
116_K	119_G	0.904	1.00
87_V	243_T	0.902	1.00
154_A	158_L	0.901	1.00
53_T	232_T	0.901	1.00
101_I	112_T	0.900	1.00
120_Q	168_N	0.897	1.00
67_T	81_M	0.895	1.00
101_I	110_G	0.891	1.00
274_S	280_K	0.891	1.00
91_Y	167_S	0.890	1.00
165_G	268_V	0.886	1.00
60_I	88_T	0.884	1.00
40_E	50_G	0.884	1.00
185_A	214_V	0.883	1.00
290_H	293_E	0.882	1.00
192_A	204_A	0.881	1.00
39_E	45_H	0.881	1.00
114_K	118_I	0.865	1.00
309_A	313_L	0.859	0.99
291_H	294_L	0.858	0.99
116_K	172_L	0.858	0.99
280_K	284_K	0.856	0.99
101_I	111_L	0.854	0.99
172_L	265_T	0.853	0.99
131_Y	134_Y	0.850	0.99
191_F	245_A	0.850	0.99
303_V	307_W	0.846	0.99
223_H	299_E	0.845	0.99
30_R	34_G	0.844	0.99
258_G	261_F	0.841	0.99
187_A	314_A	0.840	0.99
228_F	231_D	0.831	0.99
186_I	311_L	0.808	0.99
297_W	302_V	0.807	0.99
63_I	236_A	0.806	0.99
9_T	209_A	0.806	0.99
84_L	88_T	0.804	0.99
180_L	237_L	0.797	0.99
272_V	282_I	0.792	0.99
292_Y	306_F	0.791	0.99
38_R	50_G	0.790	0.99
40_E	43_K	0.789	0.99
12_M	69_V	0.788	0.99
91_Y	119_G	0.785	0.99
284_K	294_L	0.784	0.99
139_D	148_S	0.778	0.99
40_E	46_Q	0.778	0.99
181_S	217_F	0.777	0.99
124_A	128_Y	0.777	0.99
14_F	18_V	0.777	0.99
308_A	312_L	0.777	0.99
17_S	21_S	0.776	0.99
299_E	303_V	0.775	0.99
89_L	93_L	0.775	0.99
280_K	288_L	0.774	0.99
67_T	71_T	0.773	0.99
279_G	282_I	0.771	0.99
20_L	66_T	0.769	0.99
171_N	228_F	0.769	0.99
127_F	131_Y	0.769	0.99
18_V	22_P	0.765	0.99
21_S	216_G	0.763	0.99
269_I	272_V	0.762	0.99
223_H	303_V	0.762	0.99
260_V	310_G	0.761	0.99
263_I	306_F	0.761	0.99
84_L	240_A	0.759	0.99
313_L	317_G	0.756	0.99
222_A	300_W	0.752	0.99
91_Y	120_Q	0.752	0.99
20_L	62_S	0.750	0.99
170_V	187_A	0.750	0.99
26_P	220_F	0.748	0.99
206_F	244_I	0.747	0.99
161_F	165_G	0.746	0.99
166_G	242_V	0.742	0.99
158_L	162_M	0.738	0.98
139_D	150_D	0.735	0.98
28_L	227_V	0.731	0.98
115_Q	118_I	0.731	0.98
168_N	231_D	0.726	0.98
96_F	232_T	0.724	0.98
183_T	260_V	0.722	0.98
44_S	285_M	0.721	0.98
90_G	94_L	0.720	0.98
302_V	306_F	0.716	0.98
97_L	100_Y	0.715	0.98
264_E	267_S	0.713	0.98
217_F	229_M	0.712	0.98
25_I	216_G	0.711	0.98
186_I	190_A	0.711	0.98
84_L	243_T	0.710	0.98
57_V	232_T	0.709	0.98
43_K	46_Q	0.708	0.98
169_A	265_T	0.706	0.98
79_P	130_V	0.705	0.98
176_L	302_V	0.705	0.98
29_R	32_K	0.704	0.98
140_I	145_T	0.702	0.98
54_M	96_F	0.701	0.98
14_F	212_G	0.701	0.98
263_I	309_A	0.701	0.98
275_F	281_R	0.700	0.98
130_V	134_Y	0.700	0.98
193_I	197_N	0.700	0.98
67_T	206_F	0.699	0.98
298_S	302_V	0.699	0.98
239_G	243_T	0.696	0.98
11_L	15_L	0.690	0.98
286_S	291_H	0.687	0.98
54_M	100_Y	0.685	0.97
45_H	51_T	0.685	0.97
17_S	212_G	0.683	0.97
180_L	229_M	0.681	0.97
166_G	245_A	0.679	0.97
23_I	26_P	0.674	0.97
116_K	231_D	0.674	0.97
92_G	236_A	0.674	0.97
152_G	157_I	0.673	0.97
16_I	19_L	0.672	0.97
273_I	286_S	0.670	0.97
312_L	316_L	0.670	0.97
13_G	209_A	0.670	0.97
188_F	240_A	0.669	0.97
172_L	271_Q	0.665	0.97
315_V	319_Y	0.661	0.97
10_I	208_V	0.661	0.97
191_F	207_S	0.657	0.97
62_S	213_A	0.655	0.97
41_G	45_H	0.652	0.97
204_A	208_V	0.650	0.97
32_K	38_R	0.647	0.96
203_V	247_L	0.647	0.96
267_S	271_Q	0.646	0.96
88_T	206_F	0.645	0.96
63_I	188_F	0.645	0.96
41_G	50_G	0.644	0.96
273_I	276_K	0.644	0.96
151_L	155_Y	0.643	0.96
205_I	209_A	0.639	0.96
20_L	24_L	0.639	0.96
94_L	235_L	0.639	0.96
174_D	229_M	0.636	0.96
46_Q	299_E	0.632	0.96
267_S	286_S	0.630	0.96
183_T	261_F	0.628	0.96
272_V	276_K	0.627	0.96
112_T	116_K	0.626	0.96
229_M	237_L	0.625	0.96
63_I	67_T	0.621	0.96
127_F	239_G	0.620	0.96
275_F	278_T	0.619	0.95
182_G	303_V	0.619	0.95
191_F	248_T	0.618	0.95
173_T	271_Q	0.617	0.95
167_S	239_G	0.615	0.95
26_P	31_L	0.614	0.95
177_D	229_M	0.613	0.95
165_G	169_A	0.610	0.95
265_T	269_I	0.609	0.95
92_G	96_F	0.607	0.95
194_L	250_L	0.605	0.95
157_I	160_L	0.604	0.95
42_P	46_Q	0.599	0.95
151_L	154_A	0.597	0.95
300_W	304_V	0.594	0.94
16_I	66_T	0.593	0.94
172_L	286_S	0.593	0.94
185_A	189_G	0.592	0.94
53_T	285_M	0.592	0.94
24_L	28_L	0.589	0.94
169_A	268_V	0.588	0.94
193_I	318_I	0.588	0.94
180_L	217_F	0.587	0.94
219_V	226_K	0.587	0.94
66_T	69_V	0.585	0.94
187_A	261_F	0.583	0.94
314_A	317_G	0.580	0.94
47_K	275_F	0.578	0.94
258_G	262_V	0.570	0.93
174_D	180_L	0.570	0.93
174_D	233_G	0.569	0.93
132_H	156_F	0.568	0.93
124_A	242_V	0.567	0.93
305_T	308_A	0.564	0.93
299_E	302_V	0.563	0.93
21_S	25_I	0.563	0.93
69_V	72_Q	0.563	0.93
60_I	64_I	0.562	0.93
138_T	141_R	0.562	0.93
120_Q	234_S	0.561	0.92
259_G	262_V	0.559	0.92
126_V	130_V	0.558	0.92
55_G	217_F	0.556	0.92
68_I	72_Q	0.553	0.92
71_T	81_M	0.551	0.92
259_G	317_G	0.551	0.92
113_S	172_L	0.550	0.92
265_T	272_V	0.549	0.92
219_V	308_A	0.549	0.92
150_D	157_I	0.547	0.92
66_T	70_M	0.547	0.92
113_S	283_F	0.546	0.91
22_P	25_I	0.544	0.91
91_Y	235_L	0.543	0.91
31_L	34_G	0.542	0.91
167_S	234_S	0.541	0.91
28_L	58_M	0.541	0.91
22_P	216_G	0.539	0.91
182_G	186_I	0.539	0.91
22_P	219_V	0.539	0.91
13_G	205_I	0.539	0.91
35_Q	100_Y	0.537	0.91
156_F	160_L	0.536	0.91
264_E	286_S	0.535	0.91
34_G	37_I	0.534	0.91
288_L	291_H	0.533	0.90
207_S	240_A	0.532	0.90
78_S	202_D	0.531	0.90
282_I	286_S	0.530	0.90
141_R	144_G	0.529	0.90
41_G	46_Q	0.529	0.90
265_T	268_V	0.528	0.90
167_S	242_V	0.528	0.90
297_W	306_F	0.528	0.90
188_F	192_A	0.525	0.90
57_V	92_G	0.525	0.90
146_D	149_F	0.524	0.90
232_T	235_L	0.523	0.90
25_I	28_L	0.520	0.89
217_F	228_F	0.520	0.89
111_L	119_G	0.520	0.89
268_V	286_S	0.519	0.89
13_G	17_S	0.518	0.89
220_F	226_K	0.518	0.89
273_I	278_T	0.516	0.89
177_D	290_H	0.516	0.89
59_I	63_I	0.516	0.89
139_D	143_P	0.515	0.89
45_H	285_M	0.514	0.89
270_L	273_I	0.514	0.89
271_Q	286_S	0.513	0.89
205_I	212_G	0.513	0.89
257_I	261_F	0.511	0.89
242_V	245_A	0.510	0.88
125_V	156_F	0.509	0.88
128_Y	132_H	0.508	0.88
122_I	129_A	0.507	0.88
60_I	63_I	0.506	0.88
110_G	283_F	0.505	0.88
163_L	167_S	0.502	0.88
43_K	294_L	0.502	0.88
276_K	281_R	0.502	0.88
145_T	149_F	0.500	0.88
260_V	264_E	0.500	0.88

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
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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
4j72A	2	0.9198	100	0.164	Contact Map
4dx5A	3	0.1451	11	0.964	Contact Map
2ls4A	1	0.0741	8.9	0.965	Contact Map
2i68A	2	0.2284	6.8	0.967	Contact Map
3ux4A	3	0.213	5.4	0.969	Contact Map
1vryA	1	0.1636	5.3	0.969	Contact Map
2xq2A	2	0.2932	4.7	0.969	Contact Map
2mmuA	1	0.0741	3.8	0.971	Contact Map
2lzrA	1	0.1512	3.8	0.971	Contact Map
2mfrA	1	0.1451	3.5	0.971	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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