COTS - BACSU - GREMLIN Contacts

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COTS - Spore coat protein S

UniProt:	P46914	Sequences: MYQKEHEEQIVSEILSYYPFHIDHVALKSNKSGRKIWEVETDHGPKLLKEAQMKPERMLFITQAHAHLQEKGLPIAPIHQTKNGGSCLGTDQVSYSLYDKVTGKEMIYYDAEQMKKVMSFAGHFHHASKGYVCTDESKKRSRLGKWHKLYRWKLQELEGNMQIAASYPDDVFSQTFLKHADKMLARGKEALRALDDSEYETWTKETLEHGGFCFQDFTLARLTEIEGEPFLKELHSITYDLPSRDLRILLNKVMVKLSVWDTDFMVALLAAYDAVYPLTEKQYEVLWIDLAFPHLFCAIGHKYYLKQKKTWSDEKYNWALQNMISVEESKDSFLDKLPELYKKIKAYREAN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	351 (277)
Sequences:	4234 (3376)
Seq/√Len:	202.8

ECOLI - RDOA
BACSU - COTS COTI YSXE YUTH YERI

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
81_T	88_L	4.305	1.00
119_S	274_A	3.818	1.00
55_P	89_G	3.376	1.00
122_G	275_V	3.179	1.00
77_P	99_D	2.817	1.00
48_L	97_L	2.755	1.00
66_A	80_Q	2.742	1.00
115_K	270_A	2.737	1.00
38_E	100_K	2.700	1.00
67_H	131_Y	2.672	1.00
115_K	271_A	2.653	1.00
47_L	100_K	2.649	1.00
273_D	283_Y	2.604	1.00
19_P	82_K	2.497	1.00
121_A	217_F	2.459	1.00
118_M	271_A	2.426	1.00
21_H	42_D	2.379	1.00
67_H	130_G	2.294	1.00
80_Q	86_S	2.259	1.00
213_C	240_D	2.234	1.00
192_R	196_D	2.181	1.00
55_P	94_S	2.122	1.00
101_V	230_F	2.118	1.00
111_A	267_A	2.071	1.00
115_K	274_A	2.034	1.00
116_K	119_S	2.015	1.00
71_K	130_G	1.987	1.00
126_H	276_Y	1.969	1.00
39_V	97_L	1.963	1.00
65_H	234_L	1.960	1.00
126_H	275_V	1.948	1.00
69_Q	77_P	1.935	1.00
223_T	232_K	1.901	1.00
246_L	268_L	1.896	1.00
23_D	42_D	1.864	1.00
211_G	242_P	1.855	1.00
20_F	97_L	1.852	1.00
225_I	228_E	1.850	1.00
129_K	276_Y	1.834	1.00
40_E	45_P	1.814	1.00
81_T	85_G	1.811	1.00
188_K	192_R	1.809	1.00
299_I	303_Y	1.792	1.00
79_H	99_D	1.691	1.00
41_T	46_K	1.690	1.00
46_K	97_L	1.669	1.00
186_R	189_E	1.667	1.00
298_A	301_H	1.650	1.00
266_V	270_A	1.647	1.00
110_D	113_Q	1.646	1.00
24_H	40_E	1.619	1.00
148_K	152_W	1.611	1.00
115_K	119_S	1.604	1.00
59_L	63_Q	1.570	1.00
246_L	269_L	1.565	1.00
50_E	93_V	1.542	1.00
249_L	268_L	1.530	1.00
58_M	61_I	1.529	1.00
120_F	231_L	1.527	1.00
184_L	188_K	1.516	1.00
217_F	231_L	1.513	1.00
26_A	38_E	1.509	1.00
189_E	192_R	1.491	1.00
123_H	275_V	1.475	1.00
121_A	125_H	1.475	1.00
267_A	271_A	1.463	1.00
183_M	186_R	1.451	1.00
122_G	276_Y	1.445	1.00
17_Y	81_T	1.427	1.00
301_H	305_L	1.408	1.00
157_L	160_N	1.403	1.00
50_E	95_Y	1.400	1.00
28_K	47_L	1.397	1.00
216_D	233_E	1.380	1.00
140_R	143_L	1.379	1.00
183_M	191_L	1.371	1.00
63_Q	131_Y	1.368	1.00
41_T	44_G	1.367	1.00
189_E	193_A	1.367	1.00
183_M	187_G	1.339	1.00
64_A	128_S	1.337	1.00
18_Y	88_L	1.337	1.00
152_W	155_Q	1.335	1.00
149_L	153_K	1.319	1.00
62_T	96_S	1.318	1.00
54_K	57_R	1.314	1.00
119_S	275_V	1.309	1.00
185_A	189_E	1.307	1.00
22_I	25_V	1.306	1.00
273_D	277_P	1.303	1.00
17_Y	88_L	1.299	1.00
125_H	272_Y	1.294	1.00
119_S	123_H	1.287	1.00
62_T	86_S	1.287	1.00
64_A	237_I	1.273	1.00
156_E	159_G	1.271	1.00
191_L	194_L	1.251	1.00
89_G	92_Q	1.237	1.00
190_A	194_L	1.236	1.00
152_W	156_E	1.224	1.00
149_L	152_W	1.222	1.00
55_P	59_L	1.222	1.00
148_K	151_R	1.211	1.00
115_K	267_A	1.209	1.00
49_K	61_I	1.203	1.00
66_A	86_S	1.201	1.00
141_S	145_K	1.200	1.00
156_E	160_N	1.199	1.00
271_A	274_A	1.190	1.00
38_E	45_P	1.178	1.00
185_A	188_K	1.163	1.00
298_A	303_Y	1.141	1.00
147_H	150_Y	1.140	1.00
187_G	190_A	1.125	1.00
224_E	229_P	1.105	1.00
294_H	297_C	1.099	1.00
207_L	281_K	1.097	1.00
116_K	229_P	1.096	1.00
67_H	127_A	1.092	1.00
73_L	124_F	1.090	1.00
190_A	193_A	1.082	1.00
16_S	82_K	1.080	1.00
159_G	162_Q	1.079	1.00
15_L	18_Y	1.076	1.00
152_W	157_L	1.068	1.00
38_E	47_L	1.067	1.00
153_K	156_E	1.059	1.00
15_L	22_I	1.054	1.00
216_D	221_R	1.052	1.00
117_V	217_F	1.049	1.00
278_L	283_Y	1.047	1.00
118_M	122_G	1.039	1.00
89_G	94_S	1.023	1.00
181_D	184_L	1.022	1.00
219_L	252_K	1.022	1.00
124_F	231_L	1.013	1.00
87_C	94_S	1.012	1.00
221_R	233_E	1.002	1.00
149_L	156_E	1.001	1.00
153_K	157_L	0.993	1.00
124_F	234_L	0.990	1.00
112_E	115_K	0.990	1.00
248_I	251_N	0.987	1.00
209_H	282_Q	0.986	1.00
34_R	49_K	0.985	1.00
125_H	245_D	0.971	1.00
53_M	61_I	0.969	1.00
20_F	46_K	0.968	1.00
182_K	185_A	0.961	0.99
152_W	160_N	0.957	0.99
117_V	249_L	0.955	0.99
160_N	163_I	0.954	0.99
122_G	126_H	0.952	0.99
51_A	96_S	0.950	0.99
76_A	99_D	0.944	0.99
117_V	222_L	0.939	0.99
153_K	160_N	0.937	0.99
209_H	276_Y	0.930	0.99
15_L	39_V	0.924	0.99
299_I	306_K	0.915	0.99
18_Y	81_T	0.915	0.99
35_K	50_E	0.914	0.99
187_G	191_L	0.914	0.99
101_V	223_T	0.911	0.99
121_A	245_D	0.911	0.99
263_D	267_A	0.907	0.99
65_H	78_I	0.894	0.99
118_M	268_L	0.894	0.99
184_L	187_G	0.888	0.99
250_L	286_L	0.887	0.99
10_I	91_D	0.887	0.99
63_Q	66_A	0.880	0.99
36_I	47_L	0.877	0.99
120_F	123_H	0.877	0.99
59_L	85_G	0.872	0.99
279_T	282_Q	0.871	0.99
157_L	161_M	0.862	0.99
66_A	70_E	0.861	0.99
256_K	261_D	0.860	0.99
15_L	97_L	0.860	0.99
66_A	69_Q	0.858	0.99
243_S	285_V	0.857	0.99
180_A	184_L	0.853	0.99
179_H	183_M	0.850	0.99
146_W	149_L	0.848	0.99
81_T	84_G	0.847	0.99
151_R	155_Q	0.843	0.99
261_D	264_F	0.839	0.99
90_T	95_Y	0.836	0.99
246_L	278_L	0.833	0.98
280_E	284_E	0.832	0.98
250_L	265_M	0.831	0.98
143_L	150_Y	0.827	0.98
10_I	13_E	0.825	0.98
78_I	99_D	0.821	0.98
119_S	271_A	0.820	0.98
114_M	264_F	0.819	0.98
247_R	290_L	0.818	0.98
209_H	242_P	0.817	0.98
299_I	302_K	0.816	0.98
74_P	123_H	0.814	0.98
181_D	185_A	0.810	0.98
214_F	221_R	0.809	0.98
150_Y	153_K	0.806	0.98
106_M	222_L	0.802	0.98
299_I	307_Q	0.800	0.98
154_L	158_E	0.798	0.98
211_G	276_Y	0.793	0.98
296_F	299_I	0.793	0.98
128_S	211_G	0.793	0.98
271_A	275_V	0.789	0.98
148_K	153_K	0.786	0.98
179_H	182_K	0.786	0.98
161_M	164_A	0.784	0.98
270_A	273_D	0.779	0.98
300_G	305_L	0.777	0.98
256_K	259_V	0.776	0.98
147_H	154_L	0.771	0.98
153_K	158_E	0.771	0.98
9_Q	12_S	0.769	0.97
215_Q	244_R	0.769	0.97
192_R	195_D	0.768	0.97
155_Q	158_E	0.768	0.97
178_K	182_K	0.767	0.97
301_H	304_Y	0.761	0.97
13_E	16_S	0.760	0.97
71_K	127_A	0.759	0.97
104_K	223_T	0.757	0.97
126_H	129_K	0.747	0.97
140_R	144_G	0.747	0.97
236_S	293_P	0.741	0.97
48_L	95_Y	0.736	0.97
221_R	235_H	0.735	0.97
14_I	90_T	0.732	0.97
25_V	39_V	0.732	0.97
242_P	276_Y	0.732	0.97
151_R	156_E	0.730	0.97
297_C	301_H	0.726	0.96
72_G	123_H	0.725	0.96
13_E	17_Y	0.724	0.96
46_K	99_D	0.724	0.96
10_I	14_I	0.723	0.96
36_I	235_H	0.721	0.96
102_T	225_I	0.720	0.96
298_A	302_K	0.717	0.96
73_L	127_A	0.716	0.96
61_I	65_H	0.715	0.96
150_Y	154_L	0.715	0.96
64_A	212_F	0.714	0.96
26_A	40_E	0.713	0.96
34_R	235_H	0.709	0.96
67_H	70_E	0.707	0.96
304_Y	307_Q	0.705	0.96
114_M	267_A	0.704	0.96
76_A	230_F	0.701	0.96
151_R	154_L	0.700	0.96
298_A	305_L	0.699	0.96
36_I	218_T	0.699	0.96
81_T	87_C	0.698	0.96
33_G	236_S	0.698	0.96
51_A	58_M	0.698	0.96
34_R	220_A	0.696	0.95
299_I	304_Y	0.696	0.95
20_F	41_T	0.695	0.95
139_K	142_R	0.695	0.95
141_S	144_G	0.694	0.95
66_A	77_P	0.691	0.95
220_A	252_K	0.689	0.95
263_D	266_V	0.689	0.95
150_Y	156_E	0.688	0.95
45_P	100_K	0.687	0.95
303_Y	306_K	0.678	0.95
32_S	49_K	0.677	0.95
65_H	75_I	0.675	0.95
147_H	151_R	0.675	0.95
191_L	195_D	0.671	0.94
218_T	252_K	0.671	0.94
17_Y	82_K	0.670	0.94
31_K	35_K	0.670	0.94
247_R	289_D	0.669	0.94
190_A	195_D	0.667	0.94
149_L	154_L	0.666	0.94
91_D	95_Y	0.666	0.94
295_L	298_A	0.665	0.94
46_K	79_H	0.662	0.94
212_F	239_Y	0.661	0.94
49_K	218_T	0.659	0.94
125_H	128_S	0.653	0.94
129_K	209_H	0.653	0.94
130_G	135_D	0.653	0.94
270_A	274_A	0.650	0.94
267_A	270_A	0.648	0.93
33_G	235_H	0.647	0.93
54_K	58_M	0.645	0.93
47_L	76_A	0.643	0.93
184_L	195_D	0.639	0.93
63_Q	133_C	0.638	0.93
186_R	190_A	0.637	0.93
122_G	274_A	0.637	0.93
61_I	236_S	0.636	0.93
183_M	194_L	0.635	0.93
262_T	266_V	0.635	0.93
103_G	226_E	0.634	0.93
76_A	101_V	0.630	0.92
111_A	263_D	0.628	0.92
45_P	102_T	0.627	0.92
254_M	260_W	0.625	0.92
73_L	120_F	0.625	0.92
296_F	300_G	0.623	0.92
281_K	284_E	0.623	0.92
49_K	247_R	0.623	0.92
14_I	88_L	0.620	0.92
300_G	303_Y	0.620	0.92
241_L	285_V	0.620	0.92
140_R	160_N	0.614	0.91
145_K	148_K	0.613	0.91
32_S	252_K	0.612	0.91
149_L	160_N	0.609	0.91
151_R	160_N	0.607	0.91
54_K	61_I	0.606	0.91
299_I	305_L	0.605	0.91
210_G	241_L	0.602	0.91
34_R	61_I	0.600	0.91
15_L	48_L	0.595	0.90
156_E	163_I	0.595	0.90
210_G	239_Y	0.594	0.90
236_S	248_I	0.593	0.90
118_M	249_L	0.593	0.90
126_H	270_A	0.592	0.90
285_V	288_I	0.589	0.90
31_K	36_I	0.589	0.90
243_S	282_Q	0.588	0.90
238_T	244_R	0.588	0.90
154_L	157_L	0.587	0.90
300_G	307_Q	0.585	0.89
17_Y	83_N	0.585	0.89
298_A	304_Y	0.584	0.89
156_E	161_M	0.584	0.89
30_N	220_A	0.582	0.89
154_L	160_N	0.582	0.89
142_R	145_K	0.581	0.89
269_L	279_T	0.581	0.89
103_G	216_D	0.579	0.89
123_H	127_A	0.576	0.89
113_Q	240_D	0.576	0.89
277_P	280_E	0.576	0.89
126_H	130_G	0.575	0.89
61_I	237_I	0.575	0.89
55_P	61_I	0.575	0.89
39_V	48_L	0.573	0.88
46_K	100_K	0.573	0.88
143_L	147_H	0.567	0.88
112_E	116_K	0.565	0.88
67_H	71_K	0.564	0.88
246_L	286_L	0.563	0.88
54_K	60_F	0.562	0.87
12_S	16_S	0.561	0.87
297_C	300_G	0.560	0.87
43_H	70_E	0.560	0.87
157_L	163_I	0.559	0.87
143_L	151_R	0.558	0.87
49_K	52_Q	0.557	0.87
60_F	212_F	0.555	0.87
11_V	14_I	0.554	0.87
193_A	196_D	0.554	0.87
148_K	156_E	0.554	0.87
147_H	162_Q	0.552	0.87
193_A	288_I	0.548	0.86
215_Q	238_T	0.546	0.86
147_H	191_L	0.544	0.86
290_L	293_P	0.543	0.86
57_R	60_F	0.542	0.86
158_E	161_M	0.542	0.86
157_L	164_A	0.542	0.86
79_H	97_L	0.540	0.85
154_L	188_K	0.539	0.85
182_K	189_E	0.539	0.85
183_M	190_A	0.538	0.85
147_H	156_E	0.537	0.85
300_G	304_Y	0.536	0.85
129_K	181_D	0.536	0.85
58_M	62_T	0.534	0.85
180_A	187_G	0.533	0.85
105_E	226_E	0.532	0.84
178_K	184_L	0.531	0.84
121_A	124_F	0.529	0.84
228_E	269_L	0.525	0.84
158_E	162_Q	0.524	0.84
145_K	150_Y	0.524	0.84
155_Q	159_G	0.523	0.83
245_D	272_Y	0.520	0.83
117_V	231_L	0.520	0.83
35_K	93_V	0.520	0.83
285_V	289_D	0.519	0.83
82_K	91_D	0.516	0.83
49_K	235_H	0.515	0.83
246_L	272_Y	0.515	0.83
144_G	149_L	0.514	0.82
218_T	235_H	0.513	0.82
184_L	191_L	0.511	0.82
49_K	236_S	0.509	0.82
287_W	291_A	0.509	0.82
162_Q	165_A	0.508	0.82
12_S	21_H	0.507	0.82
218_T	236_S	0.506	0.81
59_L	86_S	0.506	0.81
281_K	285_V	0.505	0.81
123_H	126_H	0.504	0.81
151_R	195_D	0.503	0.81
243_S	289_D	0.503	0.81
147_H	157_L	0.503	0.81
298_A	306_K	0.503	0.81
132_V	135_D	0.502	0.81
242_P	282_Q	0.501	0.81
33_G	52_Q	0.500	0.81
23_D	26_A	0.500	0.81

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
2q83A	1	0.9259	100	0.317	Contact Map
4pdyA	1	0.9316	100	0.332	Contact Map
2ppqA	2	0.8661	100	0.423	Contact Map
4ocvA	1	0.9316	100	0.435	Contact Map
1zylA	1	0.9031	100	0.497	Contact Map
3i1aA	1	0.9145	100	0.534	Contact Map
3jr1A	1	0.812	100	0.587	Contact Map
3mesA	2	0.8775	100	0.591	Contact Map
3atsA	1	0.849	100	0.593	Contact Map
3fegA	2	0.8205	100	0.593	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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