SQUV - ECOLI - GREMLIN Contacts

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SQUV - Sulfofructose kinase

UniProt:	P32143	Sequences: MIRVACVGITVMDRIYYVEGLPTESGKYVARNYTEVGGGPAATAAVAAARLGAQVDFIGRVGDDDTGNSLLAELESWGVNTRYTKRYNQAKSSQSAIMVDTKGERIIINYPSPDLLPDAEWLEEIDFSQWDVVLADVRWHDGAKKAFTLARQAGVMTVLDGDITPQDISELVALSDHAAFSEPGLARLTGVKEMASALKQAQTLTNGHVYVTQGSAGCDWLENGGRQHQPAFKVDVVDTTGAGDVFHGALAVALATSGDLAESVRFASGVAALKCTRPGGRAGIPDCDQTRSFLSLFV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11848
Length:	298 (278)
Sequences:	22519 (16694)
Seq/√Len:	1001.3

ECOLI - SQUV RBSK YDJH YEGV YEII PSUK PFKB K1PF KDGK FRLD INGK HLDE
BACSU - RBSK YDJE KDGK IOLC K1PF FRLD
HALSA - Q9HMJ3 Q9HP13 Q9HSM7
SULSO - KDGK Q981E2 Q97W01 Q980X6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
53_A	252_V	3.070	1.00
134_L	158_V	2.739	1.00
71_L	86_R	2.588	1.00
213_Q	219_D	2.534	1.00
56_D	80_N	2.513	1.00
220_W	264_V	2.499	1.00
253_A	258_G	2.359	1.00
5_A	130_W	2.332	1.00
259_D	262_E	2.306	1.00
218_C	246_F	2.219	1.00
148_T	174_L	2.128	1.00
68_N	86_R	2.092	1.00
202_Q	221_L	2.046	1.00
48_A	53_A	2.014	1.00
60_R	87_Y	1.993	1.00
50_R	77_W	1.973	1.00
158_V	251_A	1.964	1.00
182_E	213_Q	1.954	1.00
150_A	155_V	1.941	1.00
6_C	45_A	1.940	1.00
253_A	266_F	1.925	1.00
227_Q	261_A	1.922	1.00
245_V	270_V	1.885	1.00
286_D	289_Q	1.865	1.00
147_F	157_T	1.849	1.00
46_V	77_W	1.833	1.00
132_V	156_M	1.808	1.00
220_W	227_Q	1.805	1.00
258_G	262_E	1.799	1.00
60_R	121_W	1.797	1.00
179_A	247_H	1.791	1.00
156_M	176_D	1.775	1.00
176_D	207_G	1.762	1.00
75_E	81_T	1.761	1.00
47_A	248_G	1.761	1.00
256_T	287_C	1.749	1.00
198_L	221_L	1.726	1.00
218_C	268_S	1.703	1.00
73_E	76_S	1.673	1.00
132_V	158_V	1.665	1.00
242_A	275_C	1.656	1.00
219_D	228_H	1.650	1.00
271_A	275_C	1.639	1.00
71_L	75_E	1.635	1.00
250_L	263_S	1.623	1.00
261_A	265_R	1.622	1.00
213_Q	228_H	1.619	1.00
72_A	76_S	1.618	1.00
144_K	170_E	1.605	1.00
249_A	270_V	1.598	1.00
177_H	208_H	1.596	1.00
277_R	289_Q	1.589	1.00
145_K	148_T	1.586	1.00
232_F	269_G	1.565	1.00
200_Q	204_L	1.556	1.00
210_Y	250_L	1.541	1.00
149_L	153_A	1.527	1.00
10_T	59_G	1.509	1.00
48_A	252_V	1.491	1.00
208_H	222_E	1.490	1.00
186_A	192_K	1.489	1.00
132_V	251_A	1.482	1.00
200_Q	203_T	1.477	1.00
220_W	260_L	1.477	1.00
68_N	72_A	1.471	1.00
35_E	69_S	1.464	1.00
238_D	279_G	1.462	1.00
63_D	68_N	1.456	1.00
213_Q	216_A	1.455	1.00
222_E	225_G	1.440	1.00
4_V	48_A	1.435	1.00
229_Q	264_V	1.424	1.00
145_K	149_L	1.424	1.00
249_A	266_F	1.419	1.00
37_G	70_L	1.410	1.00
90_A	116_L	1.406	1.00
151_R	176_D	1.397	1.00
195_A	199_K	1.372	1.00
193_E	196_S	1.372	1.00
144_K	148_T	1.366	1.00
160_D	212_T	1.356	1.00
161_G	180_F	1.353	1.00
149_L	152_Q	1.348	1.00
42_A	74_L	1.339	1.00
232_F	265_R	1.332	1.00
175_S	178_A	1.327	1.00
191_V	200_Q	1.326	1.00
12_M	69_S	1.324	1.00
229_Q	268_S	1.320	1.00
156_M	177_H	1.319	1.00
151_R	174_L	1.317	1.00
199_K	203_T	1.314	1.00
195_A	226_R	1.310	1.00
127_F	130_W	1.309	1.00
63_D	86_R	1.308	1.00
54_Q	80_N	1.292	1.00
67_G	92_S	1.279	1.00
14_R	33_Y	1.269	1.00
71_L	84_T	1.266	1.00
169_S	204_L	1.264	1.00
128_S	153_A	1.252	1.00
234_V	276_T	1.237	1.00
249_A	267_A	1.230	1.00
208_H	254_L	1.224	1.00
73_E	77_W	1.223	1.00
218_C	264_V	1.221	1.00
37_G	73_E	1.216	1.00
252_V	256_T	1.216	1.00
156_M	207_G	1.210	1.00
118_D	121_W	1.209	1.00
213_Q	217_G	1.201	1.00
250_L	254_L	1.189	1.00
87_Y	90_A	1.187	1.00
208_H	260_L	1.178	1.00
179_A	212_T	1.177	1.00
212_T	246_F	1.171	1.00
119_A	145_K	1.170	1.00
202_Q	223_N	1.166	1.00
253_A	263_S	1.165	1.00
208_H	250_L	1.160	1.00
232_F	268_S	1.157	1.00
14_R	35_E	1.154	1.00
199_K	221_L	1.151	1.00
234_V	275_C	1.149	1.00
262_E	265_R	1.144	1.00
191_V	196_S	1.141	1.00
69_S	72_A	1.136	1.00
49_A	79_V	1.131	1.00
51_L	249_A	1.130	1.00
68_N	71_L	1.128	1.00
250_L	267_A	1.125	1.00
236_V	275_C	1.122	1.00
65_D	68_N	1.122	1.00
135_A	157_T	1.117	1.00
53_A	255_A	1.115	1.00
273_L	276_T	1.113	1.00
72_A	75_E	1.100	1.00
133_V	150_A	1.099	1.00
185_L	211_V	1.088	1.00
45_A	55_V	1.084	1.00
48_A	55_V	1.081	1.00
177_H	250_L	1.069	1.00
44_A	134_L	1.067	1.00
232_F	272_A	1.065	1.00
273_L	277_R	1.061	1.00
63_D	89_Q	1.059	1.00
134_L	251_A	1.057	1.00
185_L	197_A	1.048	1.00
236_V	239_T	1.044	1.00
196_S	199_K	1.044	1.00
46_V	50_R	1.039	1.00
253_A	256_T	1.034	1.00
177_H	254_L	1.031	1.00
106_I	109_N	1.031	1.00
198_L	211_V	1.027	1.00
53_A	256_T	1.025	1.00
148_T	152_Q	1.017	1.00
182_E	216_A	1.017	1.00
221_L	226_R	1.014	1.00
10_T	70_L	1.006	1.00
208_H	220_W	0.999	1.00
268_S	271_A	0.998	1.00
47_A	245_V	0.996	1.00
56_D	83_Y	0.993	1.00
87_Y	116_L	0.992	1.00
105_R	109_N	0.989	1.00
245_V	274_K	0.986	1.00
159_L	175_S	0.977	1.00
189_T	197_A	0.977	1.00
179_A	250_L	0.976	1.00
250_L	260_L	0.974	1.00
56_D	130_W	0.974	1.00
134_L	247_H	0.969	1.00
207_G	223_N	0.965	1.00
49_A	78_G	0.965	1.00
141_D	145_K	0.963	1.00
133_V	155_V	0.962	1.00
37_G	69_S	0.959	1.00
6_C	41_A	0.959	1.00
15_I	36_V	0.959	1.00
61_V	67_G	0.957	1.00
265_R	269_G	0.956	1.00
69_S	73_E	0.956	1.00
231_A	268_S	0.951	1.00
64_D	92_S	0.950	1.00
199_K	226_R	0.947	1.00
263_S	267_A	0.945	1.00
16_Y	96_A	0.943	1.00
48_A	248_G	0.941	1.00
123_E	145_K	0.940	1.00
252_V	287_C	0.940	1.00
5_A	58_I	0.936	1.00
62_G	92_S	0.931	1.00
51_L	270_V	0.929	1.00
81_T	84_T	0.928	1.00
61_V	71_L	0.927	1.00
14_R	66_T	0.925	1.00
135_A	147_F	0.916	1.00
111_P	114_D	0.914	1.00
10_T	42_A	0.913	1.00
252_V	266_F	0.912	1.00
130_W	155_V	0.910	1.00
258_G	266_F	0.907	1.00
71_L	81_T	0.902	1.00
107_I	110_Y	0.899	1.00
182_E	186_A	0.897	1.00
236_V	276_T	0.897	1.00
49_A	54_Q	0.897	1.00
7_V	133_V	0.891	1.00
61_V	84_T	0.890	1.00
10_T	57_F	0.890	1.00
181_S	184_G	0.889	1.00
14_R	94_Q	0.888	1.00
216_A	228_H	0.872	1.00
225_G	261_A	0.871	1.00
229_Q	265_R	0.868	1.00
237_V	278_P	0.863	1.00
148_T	170_E	0.862	1.00
235_D	276_T	0.856	1.00
254_L	263_S	0.855	1.00
217_G	231_A	0.855	1.00
127_F	155_V	0.852	1.00
71_L	85_K	0.851	1.00
56_D	126_D	0.846	1.00
180_F	185_L	0.840	1.00
259_D	263_S	0.838	1.00
160_D	179_A	0.836	1.00
172_V	175_S	0.824	1.00
42_A	281_R	0.823	1.00
106_I	110_Y	0.821	1.00
246_F	268_S	0.817	1.00
60_R	85_K	0.817	1.00
44_A	247_H	0.808	1.00
245_V	249_A	0.806	1.00
11_V	93_S	0.806	1.00
170_E	173_A	0.806	1.00
199_K	202_Q	0.805	1.00
5_A	56_D	0.805	1.00
249_A	253_A	0.805	1.00
198_L	209_V	0.803	1.00
229_Q	261_A	0.802	1.00
30_A	108_I	0.802	1.00
223_N	226_R	0.798	1.00
70_L	92_S	0.791	1.00
245_V	271_A	0.791	1.00
196_S	200_Q	0.790	1.00
160_D	180_F	0.790	1.00
227_Q	264_V	0.787	1.00
61_V	86_R	0.783	1.00
4_V	255_A	0.776	1.00
158_V	179_A	0.774	1.00
198_L	202_Q	0.773	1.00
13_D	38_G	0.766	1.00
104_E	107_I	0.765	1.00
234_V	272_A	0.764	1.00
135_A	143_A	0.755	1.00
49_A	55_V	0.751	1.00
45_A	57_F	0.749	1.00
12_M	66_T	0.748	1.00
197_A	201_A	0.747	1.00
142_G	146_A	0.744	1.00
222_E	260_L	0.744	1.00
268_S	272_A	0.742	1.00
132_V	255_A	0.737	1.00
85_K	121_W	0.737	1.00
269_G	273_L	0.734	1.00
35_E	66_T	0.734	1.00
56_D	82_R	0.731	1.00
12_M	35_E	0.730	1.00
46_V	281_R	0.726	1.00
7_V	146_A	0.726	1.00
64_D	67_G	0.724	1.00
173_A	204_L	0.724	1.00
51_L	252_V	0.720	1.00
121_W	124_E	0.720	1.00
271_A	274_K	0.719	1.00
137_V	159_L	0.712	1.00
273_L	289_Q	0.699	1.00
266_F	287_C	0.697	1.00
158_V	177_H	0.693	1.00
144_K	174_L	0.693	1.00
100_D	104_E	0.687	1.00
195_A	228_H	0.686	1.00
202_Q	222_E	0.685	1.00
114_D	117_P	0.685	1.00
51_L	266_F	0.682	1.00
97_I	107_I	0.680	1.00
246_F	264_V	0.678	1.00
66_T	94_Q	0.677	1.00
210_Y	220_W	0.673	1.00
104_E	110_Y	0.673	1.00
97_I	240_T	0.671	1.00
222_E	227_Q	0.667	1.00
73_E	281_R	0.666	1.00
215_S	233_K	0.661	1.00
185_L	201_A	0.661	1.00
38_G	43_T	0.660	1.00
158_V	247_H	0.657	1.00
54_Q	131_D	0.653	1.00
146_A	150_A	0.649	1.00
246_F	271_A	0.647	1.00
147_F	174_L	0.647	1.00
34_T	278_P	0.645	1.00
258_G	263_S	0.645	1.00
195_A	221_L	0.640	1.00
246_F	267_A	0.638	1.00
21_L	106_I	0.638	1.00
217_G	228_H	0.636	1.00
120_E	123_E	0.635	1.00
194_M	213_Q	0.635	1.00
65_D	69_S	0.632	1.00
24_E	104_E	0.632	1.00
40_P	162_D	0.631	1.00
169_S	173_A	0.628	1.00
117_P	122_L	0.627	1.00
16_Y	30_A	0.625	1.00
45_A	79_V	0.622	1.00
194_M	197_A	0.619	1.00
264_V	268_S	0.610	1.00
141_D	144_K	0.608	1.00
77_W	286_D	0.607	1.00
131_D	155_V	0.606	1.00
111_P	115_L	0.605	1.00
59_G	84_T	0.603	1.00
98_M	106_I	0.602	1.00
83_Y	86_R	0.600	1.00
9_I	138_R	0.599	1.00
42_A	57_F	0.599	1.00
166_Q	169_S	0.598	1.00
98_M	108_I	0.598	1.00
248_G	252_V	0.596	1.00
144_K	147_F	0.596	1.00
257_S	263_S	0.595	1.00
194_M	198_L	0.593	1.00
191_V	197_A	0.593	1.00
4_V	53_A	0.590	1.00
229_Q	232_F	0.589	1.00
195_A	219_D	0.587	1.00
132_V	177_H	0.586	1.00
5_A	8_G	0.585	1.00
157_T	175_S	0.582	1.00
90_A	113_P	0.580	1.00
48_A	251_A	0.579	1.00
117_P	121_W	0.579	1.00
218_C	229_Q	0.576	1.00
202_Q	205_T	0.576	1.00
178_A	209_V	0.574	1.00
44_A	251_A	0.571	1.00
16_Y	33_Y	0.570	1.00
210_Y	246_F	0.570	1.00
119_A	142_G	0.569	1.00
179_A	210_Y	0.569	1.00
113_P	116_L	0.568	1.00
124_E	149_L	0.568	1.00
65_D	72_A	0.568	1.00
195_A	198_L	0.564	1.00
51_L	248_G	0.564	1.00
119_A	123_E	0.563	1.00
24_E	100_D	0.562	1.00
37_G	281_R	0.560	1.00
68_N	75_E	0.559	1.00
202_Q	224_G	0.558	1.00
262_E	266_F	0.558	1.00
27_K	40_P	0.558	1.00
119_A	141_D	0.556	1.00
93_S	114_D	0.555	1.00
40_P	138_R	0.554	1.00
105_R	110_Y	0.554	1.00
133_V	146_A	0.552	1.00
240_T	280_G	0.551	1.00
185_L	194_M	0.550	1.00
260_L	263_S	0.549	1.00
87_Y	121_W	0.547	1.00
22_P	26_G	0.545	1.00
120_E	124_E	0.543	1.00
150_A	157_T	0.543	1.00
215_S	236_V	0.543	1.00
74_L	79_V	0.541	1.00
63_D	87_Y	0.537	1.00
182_E	214_G	0.536	1.00
54_Q	255_A	0.534	1.00
132_V	254_L	0.532	1.00
9_I	162_D	0.532	1.00
183_P	187_R	0.531	1.00
222_E	226_R	0.531	1.00
125_I	128_S	0.530	1.00
180_F	212_T	0.529	1.00
123_E	126_D	0.526	1.00
44_A	248_G	0.521	1.00
140_H	167_D	0.521	1.00
49_A	77_W	0.521	1.00
160_D	244_D	0.520	1.00
212_T	244_D	0.519	1.00
189_T	200_Q	0.518	1.00
260_L	264_V	0.515	1.00
176_D	208_H	0.515	1.00
55_V	79_V	0.515	1.00
198_L	201_A	0.514	1.00
214_G	239_T	0.512	1.00
254_L	257_S	0.511	1.00
143_A	146_A	0.510	1.00
131_D	156_M	0.510	1.00
202_Q	209_V	0.510	1.00
43_T	280_G	0.510	1.00
185_L	221_L	0.509	1.00
126_D	130_W	0.508	1.00
42_A	46_V	0.507	1.00
151_R	154_G	0.507	1.00
4_V	132_V	0.506	1.00
219_D	226_R	0.504	1.00
147_F	171_L	0.504	1.00
95_S	109_N	0.503	1.00
197_A	200_Q	0.503	1.00
41_A	45_A	0.502	1.00
167_D	170_E	0.502	1.00
112_S	115_L	0.502	1.00
150_A	154_G	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
2rbcA	2	1	100	0.126	Contact Map
3ry7A	2	0.9832	100	0.159	Contact Map
4xdaA	2	1	100	0.162	Contact Map
2fv7A	2	0.9899	100	0.166	Contact Map
1rkdA	2	1	100	0.173	Contact Map
1vm7A	2	0.9765	100	0.173	Contact Map
3ljsA	2	0.9732	100	0.174	Contact Map
3ikhA	2	0.943	100	0.179	Contact Map
3vasA	1	0.9664	100	0.18	Contact Map
3iq0A	2	0.9832	100	0.182	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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