Q9HNK7 - HALSA - GREMLIN Contacts

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Q9HNK7 - ATP-binding protein

UniProt:	Q9HNK7	Sequences: MKVTLLGTGDTTGTPTPGCDCATCQAARERGVERTRFSVHVADEASGDALLIDFSPDFRAQFLRTDALSLPDAGVVTHVHFDHLDGLGNAYRLFDDLPVYAATDTDPTTGESVAETVAGKYDYLDSIALRGVAPRRSFAAAGFDVTLVPVDHPPLLCYGVVVERAGAKLAVSGDTTYAIPEASRDAMRDPDLLVADGIVPAHLTHHHPKGGRHPDADGVPRTFGTKHMTREGALALGDDLDADRTRVVHAAHYYPVEEAFADEIAVDGETIRL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	273 (216)
Sequences:	8081 (6004)
Seq/√Len:	408.5

ECOLI - PHNP RBN
BACSU - YHFI YYCJ RNZ
HALSA - Q9HNK7 Q9HPR7 RNZ
SULSO - RNZ Q981E1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
170_A	190_P	5.133	1.00
191_D	243_D	3.534	1.00
184_R	239_D	3.188	1.00
161_V	168_K	3.001	1.00
98_P	130_R	2.752	1.00
146_T	163_E	2.721	1.00
144_D	163_E	2.708	1.00
194_V	248_V	2.507	1.00
192_L	246_R	2.452	1.00
237_G	245_T	2.427	1.00
52_I	162_V	2.344	1.00
139_A	144_D	2.290	1.00
98_P	128_A	2.263	1.00
106_D	110_G	2.242	1.00
40_H	49_A	2.196	1.00
150_V	157_C	2.194	1.00
150_V	159_G	2.159	1.00
48_D	72_D	2.072	1.00
185_D	188_R	2.026	1.00
170_A	187_M	2.004	1.00
201_A	231_E	1.987	1.00
75_V	145_V	1.986	1.00
148_V	186_A	1.975	1.00
195_A	228_M	1.938	1.00
61_Q	64_R	1.903	1.00
57_D	60_A	1.871	1.00
169_L	194_V	1.859	1.00
189_D	241_D	1.857	1.00
235_A	239_D	1.767	1.00
73_A	98_P	1.765	1.00
44_E	49_A	1.744	1.00
50_L	73_A	1.705	1.00
75_V	160_V	1.701	1.00
232_G	235_A	1.683	1.00
163_E	168_K	1.656	1.00
150_V	172_S	1.597	1.00
54_F	76_V	1.584	1.00
75_V	138_F	1.552	1.00
103_T	131_G	1.548	1.00
101_A	106_D	1.534	1.00
187_M	190_P	1.526	1.00
137_S	140_A	1.505	1.00
52_I	75_V	1.501	1.00
83_H	249_H	1.495	1.00
133_A	136_R	1.491	1.00
137_S	146_T	1.478	1.00
151_D	176_T	1.453	1.00
161_V	190_P	1.445	1.00
237_G	242_A	1.431	1.00
181_E	184_R	1.430	1.00
197_G	247_V	1.398	1.00
188_R	241_D	1.391	1.00
45_A	48_D	1.387	1.00
37_F	171_V	1.382	1.00
48_D	141_A	1.353	1.00
229_T	232_G	1.343	1.00
38_S	58_F	1.343	1.00
76_V	87_L	1.340	1.00
102_A	158_Y	1.338	1.00
168_K	191_D	1.328	1.00
176_T	232_G	1.320	1.00
51_L	58_F	1.316	1.00
50_L	143_F	1.310	1.00
58_F	62_F	1.277	1.00
137_S	144_D	1.271	1.00
172_S	195_A	1.260	1.00
148_V	183_S	1.254	1.00
181_E	239_D	1.254	1.00
73_A	100_Y	1.247	1.00
161_V	170_A	1.243	1.00
24_C	30_R	1.241	1.00
96_D	128_A	1.237	1.00
103_T	107_P	1.226	1.00
57_D	61_Q	1.212	1.00
149_P	156_L	1.210	1.00
157_C	173_G	1.207	1.00
230_R	234_L	1.202	1.00
56_P	59_R	1.200	1.00
172_S	175_T	1.197	1.00
50_L	145_V	1.196	1.00
224_G	227_H	1.163	1.00
100_Y	130_R	1.159	1.00
167_A	191_D	1.159	1.00
184_R	236_L	1.156	1.00
106_D	131_G	1.155	1.00
187_M	240_L	1.154	1.00
231_E	235_A	1.154	1.00
108_T	112_S	1.145	1.00
81_F	85_D	1.142	1.00
197_G	233_A	1.138	1.00
40_H	51_L	1.117	1.00
242_A	245_T	1.107	1.00
134_P	149_P	1.105	1.00
39_V	248_V	1.104	1.00
132_V	160_V	1.090	1.00
49_A	72_D	1.079	1.00
192_L	244_R	1.078	1.00
146_T	186_A	1.072	1.00
74_G	87_L	1.071	1.00
184_R	188_R	1.070	1.00
145_V	162_V	1.068	1.00
56_P	61_Q	1.062	1.00
49_A	70_L	1.060	1.00
180_P	183_S	1.044	1.00
24_C	28_R	1.039	1.00
35_T	60_A	1.038	1.00
168_K	190_P	1.036	1.00
175_T	183_S	1.034	1.00
107_P	114_A	1.030	1.00
235_A	238_D	1.020	1.00
182_A	185_D	1.018	1.00
91_Y	94_F	1.001	1.00
195_A	233_A	0.995	1.00
153_P	226_K	0.991	1.00
169_L	192_L	0.990	1.00
67_A	70_L	0.990	1.00
68_L	90_A	0.988	1.00
59_R	63_L	0.987	1.00
147_L	160_V	0.984	1.00
60_A	64_R	0.980	1.00
54_F	58_F	0.976	1.00
181_E	185_D	0.970	1.00
41_V	162_V	0.969	1.00
188_R	239_D	0.967	1.00
52_I	160_V	0.967	1.00
227_H	230_R	0.966	1.00
35_T	64_R	0.963	1.00
79_V	104_D	0.961	1.00
200_P	203_L	0.955	1.00
120_K	123_Y	0.954	1.00
77_T	160_V	0.950	1.00
132_V	138_F	0.949	1.00
159_G	172_S	0.946	1.00
193_L	237_G	0.939	1.00
39_V	194_V	0.929	1.00
24_C	29_E	0.921	1.00
104_D	156_L	0.917	1.00
195_A	236_L	0.915	1.00
96_D	126_S	0.906	1.00
117_V	120_K	0.902	1.00
148_V	159_G	0.898	1.00
183_S	186_A	0.893	1.00
200_P	230_R	0.891	1.00
102_A	105_T	0.886	1.00
184_R	240_L	0.884	1.00
52_I	171_V	0.883	1.00
35_T	61_Q	0.881	1.00
190_P	242_A	0.879	1.00
234_L	237_G	0.878	1.00
101_A	105_T	0.873	1.00
237_G	247_V	0.872	1.00
176_T	228_M	0.871	1.00
79_V	105_T	0.869	1.00
107_P	110_G	0.862	1.00
27_A	30_R	0.830	1.00
80_H	152_H	0.823	1.00
139_A	142_G	0.821	1.00
119_G	122_D	0.819	1.00
48_D	143_F	0.819	1.00
223_F	227_H	0.818	1.00
50_L	162_V	0.818	1.00
39_V	52_I	0.806	1.00
179_I	235_A	0.803	1.00
136_R	139_A	0.800	1.00
229_T	233_A	0.800	1.00
179_I	184_R	0.797	1.00
172_S	193_L	0.791	1.00
40_H	44_E	0.789	1.00
164_R	168_K	0.789	1.00
150_V	173_G	0.781	1.00
250_A	254_Y	0.778	1.00
111_E	114_A	0.778	1.00
107_P	111_E	0.778	1.00
48_D	73_A	0.776	1.00
258_E	262_D	0.776	1.00
132_V	147_L	0.773	1.00
103_T	133_A	0.773	1.00
151_D	180_P	0.770	1.00
119_G	123_Y	0.768	1.00
104_D	131_G	0.767	1.00
88_G	112_S	0.765	1.00
36_R	56_P	0.764	1.00
172_S	183_S	0.764	1.00
161_V	186_A	0.763	1.00
39_V	171_V	0.760	1.00
164_R	167_A	0.760	1.00
197_G	230_R	0.760	1.00
198_I	251_A	0.759	1.00
199_V	225_T	0.759	1.00
50_L	75_V	0.753	1.00
233_A	237_G	0.744	1.00
196_D	228_M	0.743	1.00
234_L	238_D	0.740	1.00
148_V	161_V	0.739	1.00
106_D	129_L	0.730	1.00
48_D	140_A	0.729	1.00
257_E	260_F	0.725	1.00
41_V	52_I	0.725	1.00
226_K	230_R	0.722	1.00
65_T	68_L	0.720	1.00
151_D	175_T	0.719	1.00
132_V	158_Y	0.717	1.00
32_V	255_P	0.714	1.00
136_R	147_L	0.712	1.00
136_R	140_A	0.706	1.00
78_H	174_D	0.705	1.00
163_E	166_G	0.705	1.00
137_S	147_L	0.705	1.00
62_F	71_P	0.699	1.00
75_V	100_Y	0.697	1.00
228_M	236_L	0.697	1.00
179_I	236_L	0.694	1.00
51_L	54_F	0.692	1.00
80_H	174_D	0.687	1.00
56_P	60_A	0.687	1.00
221_R	225_T	0.683	1.00
48_D	142_G	0.677	0.99
60_A	63_L	0.673	0.99
59_R	89_N	0.672	0.99
72_D	95_D	0.670	0.99
203_L	254_Y	0.664	0.99
78_H	152_H	0.662	0.99
258_E	261_A	0.659	0.99
45_A	142_G	0.656	0.99
87_L	99_V	0.656	0.99
176_T	226_K	0.653	0.99
53_D	78_H	0.648	0.99
173_G	249_H	0.648	0.99
187_M	193_L	0.648	0.99
54_F	74_G	0.648	0.99
38_S	55_S	0.647	0.99
159_G	170_A	0.637	0.99
52_I	77_T	0.637	0.99
41_V	169_L	0.635	0.99
62_F	68_L	0.634	0.99
26_A	30_R	0.633	0.99
26_A	32_V	0.633	0.99
189_D	243_D	0.630	0.99
74_G	97_L	0.628	0.99
110_G	114_A	0.626	0.99
255_P	258_E	0.624	0.99
230_R	254_Y	0.624	0.99
34_R	38_S	0.623	0.99
220_P	224_G	0.623	0.99
79_V	108_T	0.619	0.99
33_E	60_A	0.615	0.99
227_H	234_L	0.615	0.99
204_T	232_G	0.614	0.99
256_V	259_A	0.612	0.99
74_G	90_A	0.609	0.99
190_P	193_L	0.608	0.99
38_S	51_L	0.608	0.99
44_E	47_G	0.608	0.99
259_A	262_D	0.605	0.99
56_P	249_H	0.601	0.99
175_T	195_A	0.600	0.99
196_D	227_H	0.598	0.99
72_D	141_A	0.596	0.99
53_D	80_H	0.594	0.99
150_V	175_T	0.592	0.99
79_V	84_L	0.590	0.99
79_V	102_A	0.590	0.99
152_H	227_H	0.589	0.99
145_V	160_V	0.586	0.99
24_C	27_A	0.584	0.99
50_L	140_A	0.583	0.99
56_P	86_G	0.583	0.99
35_T	38_S	0.581	0.98
28_R	257_E	0.579	0.98
223_F	226_K	0.579	0.98
170_A	193_L	0.576	0.98
136_R	146_T	0.572	0.98
182_A	186_A	0.572	0.98
135_R	182_A	0.572	0.98
25_Q	28_R	0.571	0.98
146_T	161_V	0.568	0.98
227_H	236_L	0.562	0.98
175_T	196_D	0.558	0.98
175_T	180_P	0.557	0.98
51_L	71_P	0.556	0.98
53_D	171_V	0.556	0.98
152_H	174_D	0.554	0.98
147_L	158_Y	0.553	0.98
86_G	251_A	0.553	0.98
75_V	140_A	0.552	0.98
197_G	229_T	0.551	0.98
260_F	263_E	0.551	0.98
45_A	164_R	0.551	0.98
76_V	105_T	0.550	0.98
45_A	143_F	0.548	0.98
193_L	242_A	0.548	0.98
237_G	241_D	0.546	0.98
180_P	184_R	0.544	0.98
227_H	240_L	0.543	0.98
79_V	101_A	0.539	0.98
138_F	147_L	0.539	0.98
228_M	233_A	0.537	0.97
201_A	204_T	0.536	0.97
230_R	233_A	0.536	0.97
234_L	245_T	0.533	0.97
189_D	242_A	0.532	0.97
84_L	109_T	0.531	0.97
102_A	149_P	0.531	0.97
172_S	196_D	0.529	0.97
148_V	187_M	0.524	0.97
143_F	162_V	0.524	0.97
247_V	250_A	0.524	0.97
171_V	194_V	0.521	0.97
109_T	113_V	0.520	0.97
37_F	248_V	0.519	0.97
77_T	171_V	0.518	0.97
53_D	174_D	0.513	0.97
56_P	89_N	0.513	0.97
193_L	233_A	0.508	0.96
38_S	54_F	0.508	0.96
228_M	234_L	0.507	0.96
135_R	149_P	0.506	0.96
56_P	83_H	0.505	0.96
57_D	62_F	0.505	0.96
191_D	241_D	0.503	0.96
172_S	187_M	0.503	0.96
171_V	248_V	0.500	0.96
80_H	227_H	0.500	0.96
88_G	93_L	0.500	0.96

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
3jxpA	2	0.9487	100	0.356	Contact Map
3zwfA	2	0.7949	100	0.368	Contact Map
1y44A	2	0.8535	100	0.383	Contact Map
2cbnA	2	0.8535	100	0.384	Contact Map
3md7A	2	0.8755	100	0.405	Contact Map
3g1pA	2	0.8608	100	0.406	Contact Map
1zkpA	2	0.8242	100	0.455	Contact Map
4ojvA	2	0.8535	100	0.489	Contact Map
2e7yA	2	0.7985	100	0.494	Contact Map
3bk2A	2	0.8242	100	0.54	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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