SPSK - BACSU - GREMLIN Contacts

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SPSK - Spore coat polysaccharide biosynthesis protein SpsK

UniProt:	P39631	Sequences: MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	283 (265)
Sequences:	59964 (41701)
Seq/√Len:	2561.7

ECOLI - RMLD RMLB2 FCL GM4D GALE RMLB1 YBJS HLDD YFCH YEEZ QOR2 YRAR YBJT ARNA
BACSU - SPSK GALE YFNG RMLB YTCB YFHF YTBQ YESF YHFK YHEG YWNB EPSC
HALSA - Q9HSU9 Q9HSV1 Q9HRD1 Q9HS50 Q9HSE7 Q9HML4 Q9HPF1 Q9HNV3 Q9HSQ3 Q9HR86
SULSO - Q97VN5 Q980W1 Q7LXG5 Q97XJ9 Q7LXE8 Q97XG1 Q97UM3 Q7LX44 Q7LXE6 Q97XF9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
221_A	268_R	3.112	1.00
9_A	30_A	2.905	1.00
20_Q	192_E	2.594	1.00
77_L	81_I	2.501	1.00
193_A	207_V	2.499	1.00
55_I	198_F	2.441	1.00
100_I	194_V	2.426	1.00
20_Q	195_I	2.412	1.00
71_E	74_K	2.331	1.00
225_E	272_R	2.322	1.00
3_K	27_E	2.318	1.00
203_G	256_A	2.306	1.00
255_R	259_E	2.144	1.00
266_H	269_E	2.120	1.00
84_Y	136_L	2.021	1.00
45_R	92_R	2.020	1.00
3_K	29_I	1.993	1.00
216_Y	220_T	1.986	1.00
58_N	99_H	1.969	1.00
115_R	118_D	1.962	1.00
57_V	198_F	1.927	1.00
214_S	217_E	1.917	1.00
221_A	224_E	1.914	1.00
192_E	265_R	1.904	1.00
149_T	194_V	1.900	1.00
224_E	268_R	1.881	1.00
31_L	36_M	1.862	1.00
36_M	43_S	1.859	1.00
188_K	273_E	1.824	1.00
29_I	51_Y	1.820	1.00
147_I	197_L	1.817	1.00
210_S	258_E	1.816	1.00
20_Q	24_A	1.773	1.00
40_D	43_S	1.770	1.00
131_R	135_E	1.764	1.00
192_E	196_K	1.752	1.00
195_I	199_S	1.740	1.00
24_A	195_I	1.723	1.00
76_Y	132_L	1.717	1.00
196_K	200_H	1.699	1.00
45_R	89_E	1.662	1.00
4_V	26_Y	1.656	1.00
175_R	233_L	1.650	1.00
7_T	58_N	1.630	1.00
83_A	133_G	1.626	1.00
81_I	84_Y	1.622	1.00
258_E	263_R	1.607	1.00
17_L	191_A	1.604	1.00
84_Y	88_L	1.601	1.00
254_H	258_E	1.582	1.00
186_Y	273_E	1.568	1.00
166_K	170_T	1.522	1.00
24_A	199_S	1.514	1.00
153_Y	270_A	1.507	1.00
73_D	77_L	1.501	1.00
17_L	57_V	1.500	1.00
6_V	18_C	1.498	1.00
221_A	225_E	1.496	1.00
17_L	59_S	1.493	1.00
41_Q	88_L	1.487	1.00
181_I	212_I	1.481	1.00
20_Q	191_A	1.470	1.00
116_E	256_A	1.465	1.00
257_I	260_A	1.454	1.00
18_C	30_A	1.437	1.00
20_Q	23_Q	1.422	1.00
149_T	190_L	1.422	1.00
120_L	131_R	1.391	1.00
59_S	100_I	1.387	1.00
41_Q	85_Y	1.375	1.00
45_R	93_I	1.372	1.00
56_V	90_S	1.366	1.00
167_L	172_Q	1.363	1.00
9_A	18_C	1.354	1.00
41_Q	45_R	1.352	1.00
135_E	138_R	1.345	1.00
49_G	93_I	1.344	1.00
43_S	46_H	1.343	1.00
39_A	77_L	1.342	1.00
138_R	146_I	1.338	1.00
185_T	190_L	1.331	1.00
26_Y	199_S	1.331	1.00
13_L	152_V	1.321	1.00
216_Y	234_S	1.313	1.00
101_S	105_V	1.296	1.00
100_I	149_T	1.288	1.00
128_K	132_L	1.278	1.00
87_A	140_T	1.275	1.00
46_H	50_H	1.274	1.00
99_H	133_G	1.272	1.00
136_L	139_L	1.266	1.00
147_I	194_V	1.259	1.00
21_L	195_I	1.250	1.00
187_T	191_A	1.234	1.00
16_E	187_T	1.233	1.00
19_R	156_G	1.225	1.00
186_Y	270_A	1.222	1.00
5_L	31_L	1.216	1.00
90_S	95_A	1.211	1.00
111_T	115_R	1.209	1.00
150_S	252_L	1.202	1.00
126_Y	130_K	1.201	1.00
111_T	118_D	1.197	1.00
57_V	194_V	1.193	1.00
20_Q	188_K	1.191	1.00
16_E	188_K	1.191	1.00
269_E	272_R	1.183	1.00
88_L	91_T	1.175	1.00
217_E	220_T	1.173	1.00
67_Q	71_E	1.162	1.00
91_T	144_S	1.152	1.00
114_Y	118_D	1.149	1.00
269_E	273_E	1.145	1.00
4_V	21_L	1.122	1.00
5_L	51_Y	1.111	1.00
213_C	267_W	1.109	1.00
138_R	204_I	1.103	1.00
79_N	129_S	1.096	1.00
89_E	93_I	1.087	1.00
98_V	147_I	1.081	1.00
89_E	92_R	1.075	1.00
193_A	257_I	1.073	1.00
208_S	252_L	1.070	1.00
88_L	92_R	1.070	1.00
99_H	146_I	1.065	1.00
46_H	49_G	1.065	1.00
220_T	223_M	1.064	1.00
38_I	82_G	1.063	1.00
81_I	85_Y	1.062	1.00
213_C	217_E	1.061	1.00
212_I	251_V	1.058	1.00
58_N	83_A	1.056	1.00
99_H	137_I	1.054	1.00
4_V	55_I	1.052	1.00
76_Y	80_G	1.051	1.00
115_R	253_S	1.046	1.00
88_L	140_T	1.045	1.00
62_F	78_I	1.043	1.00
223_M	229_E	1.042	1.00
223_M	230_T	1.041	1.00
183_S	210_S	1.040	1.00
80_G	132_L	1.034	1.00
181_I	214_S	1.033	1.00
145_T	197_L	1.019	1.00
196_K	199_S	1.017	1.00
212_I	249_Y	1.015	1.00
76_Y	81_I	1.015	1.00
226_S	275_L	1.013	1.00
7_T	86_T	1.013	1.00
38_I	60_A	1.012	1.00
268_R	272_R	1.003	1.00
173_E	231_A	1.000	1.00
85_Y	88_L	0.998	1.00
90_S	97_Y	0.996	1.00
87_A	137_I	0.995	1.00
117_D	256_A	0.992	1.00
10_G	32_T	0.991	1.00
87_A	97_Y	0.990	1.00
16_E	19_R	0.988	1.00
132_L	135_E	0.984	1.00
19_R	23_Q	0.984	1.00
86_T	97_Y	0.983	1.00
175_R	235_V	0.980	1.00
45_R	49_G	0.980	1.00
181_I	249_Y	0.973	1.00
97_Y	137_I	0.972	1.00
75_A	129_S	0.968	1.00
225_E	275_L	0.966	1.00
54_D	96_Q	0.960	1.00
152_V	190_L	0.954	1.00
254_H	264_P	0.953	1.00
106_F	206_H	0.951	1.00
225_E	268_R	0.950	1.00
15_L	156_G	0.938	1.00
255_R	258_E	0.937	1.00
173_E	233_L	0.935	1.00
192_E	195_I	0.933	1.00
48_F	89_E	0.928	1.00
12_Q	187_T	0.923	1.00
12_Q	154_G	0.922	1.00
192_E	262_I	0.907	1.00
44_V	89_E	0.904	1.00
91_T	140_T	0.903	1.00
196_K	260_A	0.903	1.00
256_A	259_E	0.901	1.00
83_A	137_I	0.898	1.00
146_I	204_I	0.898	1.00
186_Y	189_D	0.894	1.00
62_F	74_K	0.890	1.00
189_D	209_N	0.887	1.00
140_T	144_S	0.886	1.00
148_R	204_I	0.884	1.00
193_A	262_I	0.883	1.00
3_K	51_Y	0.879	1.00
59_S	194_V	0.877	1.00
85_Y	89_E	0.874	1.00
208_S	254_H	0.868	1.00
160_F	164_M	0.866	1.00
3_K	54_D	0.866	1.00
211_G	266_H	0.865	1.00
31_L	47_S	0.860	1.00
47_S	51_Y	0.857	1.00
16_E	20_Q	0.857	1.00
17_L	21_L	0.855	1.00
217_E	221_A	0.854	1.00
78_I	82_G	0.851	1.00
29_I	50_H	0.848	1.00
163_T	166_K	0.844	1.00
18_C	28_V	0.844	1.00
22_K	28_V	0.843	1.00
31_L	43_S	0.843	1.00
42_R	46_H	0.841	1.00
138_R	142_K	0.841	1.00
141_T	202_P	0.839	1.00
42_R	45_R	0.836	1.00
163_T	167_L	0.832	1.00
112_Q	118_D	0.831	1.00
134_E	148_R	0.826	1.00
74_K	77_L	0.823	1.00
48_F	93_I	0.823	1.00
72_L	128_K	0.822	1.00
3_K	26_Y	0.822	1.00
56_V	86_T	0.821	1.00
147_I	207_V	0.821	1.00
48_F	56_V	0.818	1.00
48_F	51_Y	0.817	1.00
91_T	143_D	0.810	1.00
43_S	47_S	0.808	1.00
13_L	190_L	0.806	1.00
205_Y	256_A	0.802	1.00
135_E	139_L	0.801	1.00
4_V	57_V	0.795	1.00
74_K	78_I	0.795	1.00
41_Q	92_R	0.793	1.00
7_T	60_A	0.792	1.00
159_N	162_E	0.792	1.00
58_N	86_T	0.790	1.00
223_M	228_L	0.787	1.00
4_V	198_F	0.786	1.00
132_L	136_L	0.785	1.00
153_Y	186_Y	0.781	1.00
165_L	169_E	0.779	1.00
196_K	262_I	0.773	1.00
138_R	141_T	0.767	1.00
152_V	185_T	0.763	1.00
210_S	254_H	0.757	1.00
166_K	169_E	0.756	1.00
17_L	194_V	0.748	1.00
31_L	44_V	0.745	1.00
125_I	128_K	0.741	1.00
168_A	223_M	0.738	1.00
39_A	78_I	0.732	1.00
16_E	191_A	0.731	1.00
83_A	87_A	0.727	1.00
62_F	75_A	0.726	1.00
221_A	267_W	0.720	1.00
149_T	152_V	0.719	1.00
128_K	135_E	0.719	1.00
103_D	252_L	0.716	1.00
113_P	253_S	0.715	1.00
191_A	195_I	0.708	1.00
103_D	150_S	0.707	1.00
148_R	206_H	0.706	1.00
33_K	37_N	0.704	1.00
141_T	144_S	0.703	1.00
107_N	121_D	0.703	1.00
136_L	140_T	0.702	1.00
258_E	264_P	0.689	1.00
197_L	260_A	0.688	1.00
225_E	271_L	0.684	1.00
98_V	198_F	0.683	1.00
155_H	186_Y	0.682	1.00
82_G	85_Y	0.676	1.00
197_L	257_I	0.676	1.00
223_M	232_I	0.675	1.00
122_P	127_G	0.674	1.00
101_S	134_E	0.673	1.00
220_T	224_E	0.672	1.00
76_Y	129_S	0.670	1.00
37_N	40_D	0.669	1.00
115_R	255_R	0.668	1.00
15_L	19_R	0.667	1.00
24_A	196_K	0.667	1.00
68_C	75_A	0.665	1.00
18_C	22_K	0.663	1.00
139_L	143_D	0.661	1.00
196_K	261_G	0.660	1.00
110_G	118_D	0.656	1.00
87_A	136_L	0.656	1.00
213_C	218_F	0.655	1.00
55_I	96_Q	0.655	1.00
162_E	166_K	0.652	1.00
189_D	192_E	0.650	1.00
234_S	237_T	0.646	1.00
155_H	273_E	0.642	1.00
16_E	156_G	0.640	1.00
124_T	127_G	0.639	1.00
76_Y	128_K	0.639	1.00
158_S	162_E	0.637	1.00
84_Y	140_T	0.637	1.00
98_V	194_V	0.635	1.00
109_K	114_Y	0.634	1.00
26_Y	55_I	0.633	1.00
44_V	48_F	0.633	1.00
113_P	251_V	0.630	1.00
56_V	97_Y	0.629	1.00
213_C	221_A	0.627	1.00
139_L	142_K	0.626	1.00
72_L	125_I	0.626	1.00
36_M	44_V	0.625	1.00
55_I	98_V	0.622	1.00
128_K	139_L	0.621	1.00
21_L	198_F	0.612	1.00
171_K	228_L	0.612	1.00
69_E	125_I	0.610	1.00
180_Q	215_W	0.608	1.00
145_T	205_Y	0.606	1.00
58_N	97_Y	0.604	1.00
80_G	84_Y	0.600	1.00
146_I	202_P	0.599	1.00
10_G	34_K	0.595	1.00
48_F	90_S	0.594	1.00
150_S	208_S	0.594	1.00
219_A	223_M	0.594	1.00
151_W	182_G	0.593	1.00
104_Y	127_G	0.590	1.00
111_T	116_E	0.588	1.00
120_L	135_E	0.588	1.00
179_D	214_S	0.587	1.00
159_N	163_T	0.586	1.00
218_F	267_W	0.586	1.00
165_L	275_L	0.583	1.00
129_S	133_G	0.583	1.00
207_V	257_I	0.579	1.00
181_I	251_V	0.578	1.00
116_E	257_I	0.578	1.00
44_V	85_Y	0.577	1.00
201_P	205_Y	0.574	1.00
183_S	212_I	0.573	1.00
223_M	226_S	0.573	1.00
26_Y	54_D	0.572	1.00
5_L	56_V	0.572	1.00
147_I	193_A	0.571	1.00
98_V	197_L	0.566	1.00
17_L	195_I	0.565	1.00
61_A	79_N	0.563	1.00
265_R	269_E	0.562	1.00
105_V	120_L	0.561	1.00
10_G	30_A	0.560	1.00
133_G	137_I	0.557	1.00
122_P	131_R	0.557	1.00
5_L	47_S	0.556	1.00
102_T	130_K	0.555	1.00
19_R	188_K	0.555	1.00
175_R	178_S	0.554	1.00
72_L	76_Y	0.554	1.00
105_V	134_E	0.554	1.00
40_D	44_V	0.554	1.00
112_Q	249_Y	0.554	1.00
165_L	222_I	0.551	1.00
160_F	168_A	0.548	1.00
221_A	271_L	0.545	1.00
96_Q	145_T	0.542	1.00
232_I	235_V	0.541	1.00
174_L	177_V	0.541	1.00
155_H	188_K	0.537	1.00
47_S	50_H	0.536	1.00
80_G	136_L	0.532	1.00
195_I	198_F	0.532	1.00
161_V	164_M	0.530	1.00
183_S	209_N	0.529	1.00
190_L	207_V	0.529	1.00
221_A	272_R	0.528	1.00
6_V	21_L	0.528	1.00
247_P	250_S	0.526	1.00
167_L	171_K	0.525	1.00
205_Y	257_I	0.523	1.00
19_R	22_K	0.521	1.00
16_E	155_H	0.520	1.00
21_L	26_Y	0.520	1.00
233_L	236_T	0.519	1.00
120_L	204_I	0.518	1.00
137_I	146_I	0.517	1.00
41_Q	89_E	0.516	1.00
113_P	116_E	0.515	1.00
133_G	136_L	0.514	1.00
5_L	48_F	0.513	1.00
145_T	203_G	0.513	1.00
189_D	265_R	0.508	1.00
254_H	257_I	0.508	1.00
64_S	67_Q	0.508	1.00
90_S	93_I	0.506	1.00
48_F	86_T	0.505	1.00
164_M	168_A	0.504	1.00
108_G	248_A	0.503	1.00
222_I	271_L	0.502	1.00
158_S	161_V	0.501	1.00
83_A	99_H	0.500	1.00

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
3sc6A	3	0.9859	100	0.172	Contact Map
1n2sA	2	0.9929	100	0.189	Contact Map
1vl0A	3	0.9859	100	0.201	Contact Map
1e6uA	2	0.9788	100	0.211	Contact Map
1rkxA	3	0.9682	100	0.211	Contact Map
1sb8A	2	0.9929	100	0.212	Contact Map
3rufA	2	0.9753	100	0.215	Contact Map
2c20A	2	0.9788	100	0.218	Contact Map
2ydyA	1	0.8763	100	0.218	Contact Map
2pzmA	2	0.9682	100	0.22	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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