Q9HSU9 - HALSA - GREMLIN Contacts

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Q9HSU9 - GDP-D-mannose dehydratase

UniProt:	Q9HSU9	Sequences: MPTALVTGVAGFIGSHLAAALLDRGYDVRGVDNFATGHDQNLEPLRGTGDFSFYEADIRDADLVADVTNGVDYVFHQAADSSVPRSVEDPVTTTDVNCTGTATVIDAAREADVDTVVVASSAAIYGSTETFPKVESMTEQPESPYALSKHYTEKLALQASELYDIDTAALRYFNIYGPRQDPNGDYAAVIPKFISLMLDGERPVIYGDGEQSRDFTFIDNAIQANIRAAEGDVTGEAFNVGCGGRVTVNELVDVLNDLLDTDIDPIYDDPRPGDVRHSHADISKARELLSYEPEVGFSEGLEQTIPYYR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	309 (287)
Sequences:	59220 (40958)
Seq/√Len:	2417.7

ECOLI - RMLB2 RMLB1 GALE GM4D HLDD FCL YBJS YFCH RMLD YEEZ QOR2 ARNA YRAR YBJT
BACSU - RMLB YFNG YTCB GALE YFHF SPSK YTBQ YESF YWNB YHFK YHEG EPSC
HALSA - Q9HSU9 Q9HSV1 Q9HRD1 Q9HS50 Q9HSE7 Q9HML4 Q9HSQ3 Q9HNV3 Q9HPF1 Q9HR86
SULSO - Q97VN5 Q980W1 Q7LXG5 Q97XJ9 Q97XG1 Q7LXE8 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
254_V	298_S	2.870	1.00
9_V	30_G	2.864	1.00
20_A	223_Q	2.601	1.00
3_T	27_D	2.525	1.00
95_D	99_T	2.477	1.00
224_A	240_V	2.425	1.00
73_Y	229_A	2.322	1.00
119_A	225_N	2.307	1.00
236_E	284_K	2.289	1.00
20_A	226_I	2.243	1.00
89_D	92_T	2.240	1.00
296_G	299_E	2.213	1.00
65_A	110_E	2.175	1.00
283_S	287_E	2.118	1.00
258_L	302_E	2.111	1.00
115_T	166_D	2.045	1.00
20_A	24_R	2.030	1.00
31_V	56_A	2.021	1.00
257_D	298_S	1.982	1.00
76_H	118_V	1.950	1.00
75_F	229_A	1.945	1.00
223_Q	294_E	1.945	1.00
249_N	253_D	1.932	1.00
29_R	71_V	1.902	1.00
3_T	29_R	1.887	1.00
172_Y	225_N	1.884	1.00
29_R	52_S	1.826	1.00
254_V	257_D	1.801	1.00
286_R	292_E	1.793	1.00
24_R	226_I	1.791	1.00
247_T	250_E	1.789	1.00
102_A	155_L	1.784	1.00
29_R	54_Y	1.771	1.00
170_L	228_A	1.769	1.00
5_L	71_V	1.757	1.00
7_T	76_H	1.756	1.00
156_A	167_T	1.754	1.00
56_A	63_L	1.745	1.00
219_D	303_Q	1.743	1.00
223_Q	227_R	1.742	1.00
60_D	63_L	1.733	1.00
243_G	286_R	1.721	1.00
65_A	107_A	1.641	1.00
150_H	154_K	1.639	1.00
226_I	230_E	1.630	1.00
24_R	230_E	1.629	1.00
27_D	52_S	1.624	1.00
176_Y	300_G	1.623	1.00
6_V	18_A	1.617	1.00
17_L	222_I	1.616	1.00
102_A	106_D	1.594	1.00
99_T	102_A	1.588	1.00
94_T	151_Y	1.572	1.00
217_F	303_Q	1.569	1.00
134_V	137_M	1.563	1.00
17_L	75_F	1.558	1.00
4_A	26_Y	1.549	1.00
195_S	199_D	1.539	1.00
59_R	95_D	1.515	1.00
101_T	152_T	1.511	1.00
61_A	106_D	1.509	1.00
227_R	231_G	1.496	1.00
17_L	77_Q	1.492	1.00
285_A	289_L	1.487	1.00
254_V	258_L	1.485	1.00
109_R	163_Y	1.485	1.00
282_I	286_R	1.481	1.00
135_E	284_K	1.453	1.00
61_A	103_T	1.442	1.00
115_T	168_A	1.441	1.00
20_A	222_I	1.440	1.00
91_V	95_D	1.434	1.00
20_A	23_D	1.430	1.00
63_L	66_D	1.395	1.00
77_Q	119_A	1.395	1.00
13_I	175_I	1.393	1.00
172_Y	221_A	1.390	1.00
34_F	53_F	1.382	1.00
74_V	108_A	1.378	1.00
65_A	111_A	1.371	1.00
72_D	114_D	1.347	1.00
212_S	245_R	1.344	1.00
119_A	172_Y	1.330	1.00
120_S	124_I	1.327	1.00
61_A	65_A	1.322	1.00
216_T	221_A	1.318	1.00
139_E	150_H	1.315	1.00
18_A	30_G	1.308	1.00
154_K	157_L	1.289	1.00
9_V	18_A	1.289	1.00
204_V	266_I	1.286	1.00
26_Y	230_E	1.285	1.00
217_F	300_G	1.278	1.00
157_L	169_A	1.271	1.00
75_F	225_N	1.270	1.00
19_A	179_R	1.268	1.00
196_L	201_E	1.263	1.00
202_R	266_I	1.260	1.00
69_N	111_A	1.259	1.00
145_Y	149_K	1.253	1.00
170_L	225_N	1.251	1.00
173_F	280_A	1.240	1.00
147_L	151_Y	1.227	1.00
250_E	253_D	1.223	1.00
118_V	152_T	1.212	1.00
299_E	302_E	1.209	1.00
218_I	222_I	1.201	1.00
160_S	167_T	1.200	1.00
299_E	303_Q	1.188	1.00
58_I	100_G	1.172	1.00
76_H	101_T	1.166	1.00
210_E	247_T	1.162	1.00
155_L	158_Q	1.159	1.00
20_A	219_D	1.154	1.00
105_I	159_A	1.153	1.00
68_T	71_V	1.152	1.00
106_D	109_R	1.148	1.00
21_L	226_I	1.147	1.00
16_H	219_D	1.137	1.00
30_G	51_F	1.132	1.00
5_L	31_V	1.130	1.00
249_N	267_Y	1.123	1.00
97_N	148_S	1.122	1.00
166_D	234_T	1.120	1.00
246_V	297_F	1.112	1.00
4_A	21_L	1.111	1.00
171_R	237_A	1.103	1.00
106_D	110_E	1.100	1.00
157_L	237_A	1.097	1.00
16_H	218_I	1.097	1.00
118_V	169_A	1.094	1.00
134_V	281_D	1.093	1.00
108_A	116_V	1.085	1.00
85_R	89_D	1.084	1.00
117_V	170_L	1.083	1.00
125_Y	239_N	1.079	1.00
210_E	249_N	1.074	1.00
256_N	262_D	1.067	1.00
241_G	280_A	1.065	1.00
282_I	293_P	1.065	1.00
58_I	78_A	1.059	1.00
104_V	116_V	1.058	1.00
19_A	23_D	1.057	1.00
118_V	156_A	1.057	1.00
214_D	243_G	1.050	1.00
253_D	256_N	1.048	1.00
107_A	111_A	1.034	1.00
130_T	134_V	1.033	1.00
158_Q	162_L	1.033	1.00
107_A	110_E	1.030	1.00
136_S	284_K	1.025	1.00
105_I	116_V	1.021	1.00
245_R	279_H	1.021	1.00
245_R	277_H	1.017	1.00
34_F	37_G	1.017	1.00
133_K	137_M	1.016	1.00
22_L	51_F	1.015	1.00
10_A	32_D	1.014	1.00
22_L	50_D	1.013	1.00
224_A	285_A	1.011	1.00
4_A	73_Y	1.010	1.00
94_T	98_C	1.010	1.00
298_S	302_E	1.003	1.00
80_D	96_V	1.002	1.00
157_L	167_T	0.999	1.00
246_V	250_E	0.996	1.00
99_T	103_T	0.995	1.00
65_A	69_N	0.991	1.00
66_D	69_N	0.989	1.00
212_S	277_H	0.988	1.00
212_S	247_T	0.984	1.00
168_A	228_A	0.984	1.00
103_T	106_D	0.982	1.00
175_I	221_A	0.973	1.00
94_T	99_T	0.969	1.00
108_A	113_V	0.963	1.00
116_V	156_A	0.955	1.00
157_L	161_E	0.954	1.00
15_S	179_R	0.951	1.00
77_Q	225_N	0.950	1.00
7_T	104_V	0.940	1.00
12_F	218_I	0.938	1.00
73_Y	115_T	0.937	1.00
232_D	235_G	0.936	1.00
68_T	107_A	0.933	1.00
227_R	230_E	0.929	1.00
98_C	151_Y	0.928	1.00
12_F	177_G	0.928	1.00
3_T	72_D	0.927	1.00
96_V	100_G	0.925	1.00
64_V	107_A	0.921	1.00
109_R	165_I	0.920	1.00
283_S	286_R	0.916	1.00
220_N	242_C	0.914	1.00
153_E	171_R	0.914	1.00
256_N	263_I	0.912	1.00
105_I	156_A	0.912	1.00
202_R	264_D	0.912	1.00
3_T	71_V	0.911	1.00
16_H	19_A	0.906	1.00
171_R	239_N	0.904	1.00
223_Q	226_I	0.902	1.00
284_K	287_E	0.902	1.00
258_L	298_S	0.902	1.00
35_A	55_E	0.901	1.00
3_T	26_Y	0.901	1.00
169_A	237_A	0.895	1.00
68_T	74_V	0.891	1.00
62_D	66_D	0.886	1.00
31_V	63_L	0.885	1.00
238_F	284_K	0.882	1.00
217_F	220_N	0.879	1.00
62_D	65_A	0.877	1.00
241_G	282_I	0.875	1.00
54_Y	67_V	0.875	1.00
34_F	55_E	0.873	1.00
18_A	28_V	0.870	1.00
223_Q	291_Y	0.869	1.00
31_V	64_V	0.867	1.00
151_Y	154_K	0.866	1.00
61_A	110_E	0.865	1.00
17_L	21_L	0.855	1.00
209_G	249_N	0.852	1.00
250_E	254_V	0.849	1.00
176_Y	217_F	0.849	1.00
32_D	53_F	0.849	1.00
224_A	291_Y	0.848	1.00
63_L	67_V	0.847	1.00
68_T	111_A	0.846	1.00
194_I	198_L	0.845	1.00
170_L	240_V	0.843	1.00
103_T	107_A	0.842	1.00
268_D	271_R	0.837	1.00
192_K	195_S	0.837	1.00
74_V	104_V	0.836	1.00
93_T	148_S	0.836	1.00
192_K	196_L	0.834	1.00
130_T	137_M	0.834	1.00
16_H	20_A	0.833	1.00
189_V	193_F	0.833	1.00
33_N	57_D	0.831	1.00
114_D	166_D	0.830	1.00
101_T	156_A	0.829	1.00
256_N	261_T	0.827	1.00
175_I	216_T	0.826	1.00
154_K	158_Q	0.826	1.00
29_R	70_G	0.825	1.00
227_R	289_L	0.823	1.00
31_V	67_V	0.823	1.00
228_A	289_L	0.817	1.00
80_D	92_T	0.817	1.00
22_L	28_V	0.816	1.00
7_T	78_A	0.811	1.00
4_A	75_F	0.808	1.00
244_G	296_G	0.806	1.00
195_S	198_L	0.802	1.00
188_A	191_P	0.802	1.00
204_V	268_D	0.793	1.00
120_S	153_E	0.789	1.00
197_M	256_N	0.787	1.00
159_A	163_Y	0.784	1.00
92_T	95_D	0.783	1.00
101_T	105_I	0.778	1.00
17_L	225_N	0.774	1.00
90_P	147_L	0.773	1.00
4_A	229_A	0.772	1.00
59_R	96_V	0.769	1.00
16_H	222_I	0.766	1.00
92_T	96_V	0.757	1.00
151_Y	155_L	0.755	1.00
13_I	221_A	0.753	1.00
80_D	93_T	0.753	1.00
76_H	104_V	0.749	1.00
109_R	164_D	0.747	1.00
243_G	282_I	0.744	1.00
47_G	51_F	0.739	1.00
105_I	155_L	0.736	1.00
228_A	285_A	0.735	1.00
122_A	173_F	0.734	1.00
258_L	301_L	0.731	1.00
143_S	146_A	0.730	1.00
138_T	141_P	0.729	1.00
222_I	226_I	0.727	1.00
227_R	290_S	0.726	1.00
57_D	60_D	0.720	1.00
253_D	257_D	0.719	1.00
106_D	159_A	0.715	1.00
144_P	147_L	0.713	1.00
286_R	293_P	0.710	1.00
178_P	217_F	0.710	1.00
172_Y	175_I	0.708	1.00
60_D	64_V	0.707	1.00
147_L	154_K	0.702	1.00
227_R	291_Y	0.698	1.00
86_S	93_T	0.697	1.00
122_A	280_A	0.697	1.00
15_S	19_A	0.693	1.00
254_V	297_F	0.693	1.00
129_E	137_M	0.689	1.00
124_I	139_E	0.688	1.00
126_G	140_Q	0.685	1.00
26_Y	72_D	0.683	1.00
240_V	285_A	0.681	1.00
100_G	103_T	0.680	1.00
74_V	116_V	0.675	1.00
24_R	223_Q	0.673	1.00
233_V	236_E	0.672	1.00
94_T	148_S	0.672	1.00
109_R	159_A	0.669	1.00
246_V	251_L	0.669	1.00
135_E	285_A	0.665	1.00
68_T	108_A	0.665	1.00
269_D	272_P	0.665	1.00
117_V	229_A	0.663	1.00
128_T	133_K	0.660	1.00
275_V	278_S	0.658	1.00
124_I	153_E	0.658	1.00
26_Y	73_Y	0.657	1.00
115_T	232_D	0.657	1.00
220_N	223_Q	0.649	1.00
251_L	297_F	0.647	1.00
27_D	50_D	0.647	1.00
148_S	152_T	0.646	1.00
178_P	303_Q	0.643	1.00
64_V	68_T	0.642	1.00
24_R	227_R	0.642	1.00
117_V	225_N	0.641	1.00
174_N	213_R	0.637	1.00
87_V	144_P	0.635	1.00
123_A	146_A	0.634	1.00
134_V	283_S	0.633	1.00
158_Q	161_E	0.633	1.00
173_F	241_G	0.629	1.00
246_V	254_V	0.626	1.00
5_L	74_V	0.625	1.00
137_M	140_Q	0.625	1.00
21_L	229_A	0.624	1.00
131_F	277_H	0.623	1.00
268_D	273_G	0.623	1.00
155_L	159_A	0.623	1.00
211_Q	248_V	0.620	1.00
152_T	156_A	0.620	1.00
252_V	256_N	0.617	1.00
73_Y	117_V	0.616	1.00
194_I	255_L	0.613	1.00
5_L	67_V	0.612	1.00
294_E	299_E	0.612	1.00
16_H	179_R	0.611	1.00
18_A	22_L	0.611	1.00
196_L	199_D	0.611	1.00
25_G	28_V	0.610	1.00
200_G	261_T	0.610	1.00
6_V	21_L	0.609	1.00
76_H	116_V	0.608	1.00
5_L	56_A	0.607	1.00
147_L	158_Q	0.607	1.00
212_S	279_H	0.605	1.00
94_T	147_L	0.605	1.00
214_D	242_C	0.604	1.00
90_P	144_P	0.602	1.00
266_I	269_D	0.601	1.00
117_V	228_A	0.601	1.00
144_P	148_S	0.600	1.00
170_L	224_A	0.599	1.00
30_G	53_F	0.595	1.00
139_E	154_K	0.594	1.00
64_V	103_T	0.592	1.00
256_N	259_L	0.591	1.00
188_A	192_K	0.591	1.00
191_P	195_S	0.591	1.00
168_A	238_F	0.590	1.00
262_D	265_P	0.590	1.00
47_G	50_D	0.586	1.00
3_T	70_G	0.584	1.00
79_A	97_N	0.581	1.00
48_T	51_F	0.580	1.00
73_Y	114_D	0.579	1.00
5_L	68_T	0.578	1.00
17_L	226_I	0.577	1.00
270_P	273_G	0.576	1.00
159_A	165_I	0.573	1.00
214_D	245_R	0.570	1.00
54_Y	63_L	0.568	1.00
196_L	200_G	0.565	1.00
61_A	107_A	0.564	1.00
221_A	240_V	0.563	1.00
19_A	219_D	0.562	1.00
135_E	239_N	0.561	1.00
56_A	64_V	0.560	1.00
156_A	169_A	0.558	1.00
226_I	229_A	0.554	1.00
238_F	285_A	0.552	1.00
10_A	34_F	0.552	1.00
285_A	293_P	0.552	1.00
98_C	102_A	0.551	1.00
178_P	219_D	0.550	1.00
141_P	146_A	0.550	1.00
217_F	304_T	0.549	1.00
160_S	165_I	0.547	1.00
149_K	152_T	0.546	1.00
256_N	265_P	0.543	1.00
21_L	26_Y	0.539	1.00
244_G	298_S	0.537	1.00
220_N	294_E	0.537	1.00
80_D	97_N	0.536	1.00
254_V	301_L	0.536	1.00
268_D	272_P	0.536	1.00
90_P	94_T	0.535	1.00
157_L	160_S	0.534	1.00
255_L	301_L	0.530	1.00
101_T	118_V	0.528	1.00
194_I	259_L	0.524	1.00
147_L	150_H	0.522	1.00
121_S	149_K	0.522	1.00
190_I	251_L	0.515	1.00
67_V	71_V	0.515	1.00
124_I	171_R	0.514	1.00
176_Y	242_C	0.513	1.00
29_R	67_V	0.510	1.00
26_Y	226_I	0.510	1.00
269_D	273_G	0.509	1.00
285_A	291_Y	0.508	1.00
145_Y	148_S	0.508	1.00
108_A	111_A	0.507	1.00
74_V	113_V	0.504	1.00
68_T	104_V	0.503	1.00
19_A	22_L	0.502	1.00
197_M	203_P	0.502	1.00
173_F	214_D	0.502	1.00
131_F	137_M	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
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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
1sb8A	2	1	100	0.131	Contact Map
3rufA	2	0.9935	100	0.136	Contact Map
1orrA	3	0.9935	100	0.151	Contact Map
1rkxA	3	0.9741	100	0.158	Contact Map
1oc2A	2	0.9838	100	0.158	Contact Map
2hunA	2	0.9871	100	0.16	Contact Map
2q1sA	2	0.9547	100	0.162	Contact Map
1rpnA	4	0.9935	100	0.165	Contact Map
2c20A	2	0.9806	100	0.166	Contact Map
3m2pA	2	0.932	100	0.166	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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