Q9HMG5 - HALSA - GREMLIN Contacts

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Q9HMG5 - 6-phosphogluconate dehydrogenase

UniProt:	Q9HMG5	Sequences: MELGVVGLGRMGRIVVDRCLDAGHDVVAFDIDATAREDAADAGATPADTLDALAAELGAEKRIWLMVPAGDPVDAALDELAPHLDSDDVVVDGGNSHFEDSTRRAEEHDFAYLDCGTSGGPAGAELGFSLMVGGPEWAYDDLVPVFDAVATGPDGHDRMGPAGAGHYVKMVHNGVEYALMQTYGEGFELLHEGRYDLDLEAVARTWNNGAVIRSWLLELCEEAFREEGSDLGTVADHVAGGSTGTWTVQEALEQEVPVPLVSQALSERFGSRSTGGDTGRFARRLANRLRYGFGRHEVARTGDDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	305 (270)
Sequences:	11365 (7383)
Seq/√Len:	449.3

ECOLI - GARR YGBJ GLXR SQUU 6PGD
BACSU - YQEC YKWC YFJR 6PGD 6PGDH
HALSA - Q9HMG5
SULSO - Q97XZ7 Q97ZE5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
143_V	147_D	3.780	1.00
136_E	140_D	3.478	1.00
74_D	103_R	3.389	1.00
27_V	47_A	3.227	1.00
111_A	138_A	3.001	1.00
40_A	46_P	2.971	1.00
2_E	25_D	2.920	1.00
111_A	141_D	2.821	1.00
17_D	42_A	2.773	1.00
4_G	53_L	2.356	1.00
36_R	46_P	2.330	1.00
37_E	41_D	2.289	1.00
48_D	52_A	2.274	1.00
140_D	143_V	2.242	1.00
89_V	142_L	2.147	1.00
20_L	44_A	2.079	1.00
13_R	38_D	2.042	1.00
49_T	52_A	2.016	1.00
24_H	148_A	2.007	1.00
25_D	45_T	1.980	1.00
136_E	158_R	1.980	1.00
51_D	55_A	1.909	1.00
99_E	253_E	1.900	1.00
65_L	90_V	1.890	1.00
111_A	135_P	1.863	1.00
18_R	21_D	1.858	1.00
22_A	148_A	1.841	1.00
250_E	253_E	1.812	1.00
85_D	88_D	1.808	1.00
2_E	27_V	1.798	1.00
105_A	162_A	1.797	1.00
32_D	35_A	1.781	1.00
34_T	37_E	1.749	1.00
33_A	37_E	1.742	1.00
198_D	201_A	1.725	1.00
28_A	44_A	1.721	1.00
27_V	56_E	1.711	1.00
135_P	138_A	1.711	1.00
213_R	218_E	1.704	1.00
77_L	90_V	1.704	1.00
130_L	149_V	1.687	1.00
66_M	93_G	1.671	1.00
113_L	134_G	1.661	1.00
89_V	138_A	1.635	1.00
130_L	150_A	1.596	1.00
262_S	266_S	1.586	1.00
84_L	88_D	1.579	1.00
113_L	142_L	1.541	1.00
107_E	135_P	1.534	1.00
139_Y	143_V	1.525	1.00
27_V	45_T	1.509	1.00
64_W	93_G	1.507	1.00
200_E	204_R	1.505	1.00
139_Y	158_R	1.496	1.00
190_L	202_V	1.495	1.00
51_D	83_H	1.493	1.00
115_C	130_L	1.483	1.00
37_E	40_A	1.454	1.00
18_R	127_G	1.442	1.00
222_E	226_E	1.432	1.00
178_A	182_T	1.430	1.00
69_A	72_P	1.428	1.00
70_G	100_D	1.426	1.00
265_L	269_F	1.425	1.00
159_M	168_V	1.417	1.00
121_P	125_E	1.416	1.00
122_A	126_L	1.406	1.00
263_Q	266_S	1.404	1.00
61_K	85_D	1.398	1.00
53_L	60_E	1.393	1.00
21_D	42_A	1.390	1.00
170_M	246_W	1.354	1.00
102_T	162_A	1.338	1.00
33_A	48_D	1.334	1.00
101_S	112_Y	1.329	1.00
89_V	141_D	1.324	1.00
54_A	83_H	1.302	1.00
81_A	108_H	1.278	1.00
17_D	125_E	1.276	1.00
207_N	218_E	1.273	1.00
50_L	83_H	1.272	1.00
52_A	55_A	1.262	1.00
39_A	44_A	1.258	1.00
128_F	151_T	1.258	1.00
113_L	139_Y	1.253	1.00
252_L	262_S	1.252	1.00
84_L	110_F	1.252	1.00
66_M	117_T	1.251	1.00
91_V	142_L	1.245	1.00
21_D	125_E	1.241	1.00
14_I	125_E	1.234	1.00
142_L	146_F	1.233	1.00
88_D	110_F	1.228	1.00
71_D	75_A	1.222	1.00
62_R	89_V	1.219	1.00
102_T	167_Y	1.218	1.00
16_V	26_V	1.212	1.00
188_E	192_E	1.199	1.00
5_V	15_V	1.189	1.00
62_R	145_V	1.184	1.00
233_T	237_H	1.183	1.00
135_P	161_P	1.177	1.00
4_G	60_E	1.174	1.00
236_D	272_R	1.167	1.00
79_E	82_P	1.165	1.00
38_D	41_D	1.163	1.00
5_V	64_W	1.159	1.00
67_V	76_A	1.152	1.00
249_Q	253_E	1.151	1.00
191_H	199_L	1.150	1.00
193_G	254_Q	1.148	1.00
251_A	258_V	1.147	1.00
177_Y	244_G	1.142	1.00
74_D	100_D	1.138	1.00
93_G	130_L	1.135	1.00
276_G	279_G	1.130	1.00
52_A	56_E	1.124	1.00
17_D	21_D	1.120	1.00
20_L	43_G	1.115	1.00
5_V	16_V	1.114	1.00
257_P	262_S	1.112	1.00
161_P	164_A	1.111	1.00
97_H	100_D	1.105	1.00
201_A	204_R	1.104	1.00
82_P	108_H	1.100	1.00
266_S	269_F	1.097	1.00
93_G	149_V	1.095	1.00
248_V	262_S	1.085	1.00
102_T	106_E	1.077	1.00
70_G	97_H	1.075	1.00
234_V	237_H	1.074	1.00
237_H	241_G	1.073	1.00
10_R	121_P	1.072	1.00
132_V	139_Y	1.066	1.00
33_A	46_P	1.038	1.00
53_L	56_E	1.037	1.00
51_D	79_E	1.036	1.00
235_A	271_S	1.030	1.00
105_A	135_P	1.027	1.00
64_W	145_V	1.023	1.00
30_D	35_A	1.022	1.00
84_L	90_V	1.014	1.00
147_D	156_H	1.010	1.00
38_D	42_A	1.010	1.00
56_E	85_D	1.006	1.00
272_R	277_D	1.004	1.00
113_L	132_V	1.003	1.00
233_T	240_G	1.002	1.00
45_T	56_E	0.996	1.00
47_A	52_A	0.994	1.00
239_A	272_R	0.989	1.00
175_V	186_G	0.988	1.00
77_L	80_L	0.987	1.00
27_V	60_E	0.981	1.00
64_W	91_V	0.977	1.00
245_T	265_L	0.976	1.00
114_D	163_G	0.974	1.00
249_Q	252_L	0.972	1.00
158_R	161_P	0.970	1.00
215_W	219_L	0.969	1.00
100_D	103_R	0.962	1.00
245_T	249_Q	0.962	1.00
171_V	190_L	0.957	1.00
74_D	104_R	0.956	1.00
31_I	72_P	0.953	1.00
73_V	96_S	0.944	1.00
178_A	260_L	0.930	1.00
118_S	131_M	0.927	1.00
8_L	39_A	0.921	1.00
72_P	75_A	0.920	1.00
234_V	241_G	0.918	1.00
18_R	149_V	0.916	1.00
34_T	38_D	0.916	1.00
118_S	172_H	0.915	1.00
86_S	109_D	0.912	1.00
140_D	158_R	0.911	1.00
237_H	240_G	0.908	1.00
171_V	186_G	0.908	1.00
78_D	82_P	0.900	1.00
233_T	241_G	0.899	1.00
89_V	111_A	0.898	1.00
47_A	53_L	0.897	1.00
181_Q	260_L	0.895	1.00
167_Y	193_G	0.891	1.00
159_M	164_A	0.888	1.00
101_S	166_H	0.886	1.00
159_M	205_T	0.883	1.00
167_Y	250_E	0.880	1.00
245_T	269_F	0.879	1.00
203_A	221_E	0.876	1.00
233_T	238_V	0.875	1.00
134_G	139_Y	0.874	1.00
62_R	141_D	0.873	1.00
192_E	256_V	0.872	1.00
13_R	17_D	0.871	1.00
131_M	205_T	0.864	1.00
56_E	60_E	0.864	1.00
8_L	28_A	0.862	1.00
280_R	283_R	0.860	1.00
35_A	38_D	0.860	1.00
269_F	273_S	0.855	1.00
15_V	149_V	0.855	1.00
97_H	249_Q	0.852	1.00
203_A	207_N	0.850	1.00
5_V	26_V	0.848	1.00
3_L	24_H	0.837	1.00
96_S	100_D	0.837	1.00
136_E	161_P	0.834	1.00
144_P	147_D	0.832	1.00
91_V	115_C	0.831	1.00
99_E	102_T	0.829	1.00
2_E	61_K	0.825	1.00
179_L	183_Y	0.822	1.00
102_T	163_G	0.818	1.00
279_G	283_R	0.815	1.00
19_C	64_W	0.814	1.00
235_A	241_G	0.814	1.00
114_D	165_G	0.810	1.00
200_E	226_E	0.810	1.00
174_G	261_V	0.806	1.00
113_L	138_A	0.804	1.00
65_L	73_V	0.801	1.00
20_L	42_A	0.800	1.00
270_G	273_S	0.797	1.00
271_S	276_G	0.797	1.00
139_Y	156_H	0.793	1.00
187_F	203_A	0.784	1.00
63_I	80_L	0.779	1.00
168_V	197_L	0.776	1.00
234_V	238_V	0.774	1.00
138_A	141_D	0.771	1.00
192_E	254_Q	0.771	1.00
234_V	240_G	0.770	1.00
92_D	112_Y	0.767	1.00
103_R	106_E	0.766	1.00
68_P	72_P	0.764	1.00
67_V	72_P	0.764	1.00
5_V	66_M	0.763	1.00
15_V	93_G	0.762	1.00
81_A	110_F	0.762	1.00
138_A	142_L	0.762	1.00
95_N	246_W	0.760	1.00
221_E	225_R	0.759	1.00
27_V	53_L	0.759	1.00
146_F	156_H	0.759	1.00
223_A	228_G	0.758	1.00
270_G	274_T	0.750	1.00
133_G	165_G	0.750	1.00
120_G	123_G	0.749	1.00
111_A	137_W	0.749	1.00
177_Y	238_V	0.749	1.00
65_L	77_L	0.746	1.00
55_A	83_H	0.746	1.00
104_R	112_Y	0.742	1.00
236_D	241_G	0.741	1.00
260_L	264_A	0.739	1.00
200_E	225_R	0.734	1.00
143_V	156_H	0.734	1.00
31_I	35_A	0.733	1.00
19_C	26_V	0.730	1.00
248_V	265_L	0.729	1.00
15_V	66_M	0.728	1.00
175_V	183_Y	0.727	1.00
6_V	29_F	0.722	1.00
28_A	36_R	0.721	1.00
13_R	42_A	0.714	1.00
174_G	247_T	0.713	1.00
250_E	254_Q	0.712	1.00
252_L	265_L	0.711	1.00
62_R	91_V	0.710	1.00
157_D	205_T	0.707	1.00
24_H	145_V	0.705	1.00
221_E	224_F	0.704	1.00
235_A	240_G	0.700	1.00
3_L	145_V	0.697	1.00
188_E	191_H	0.693	1.00
73_V	94_G	0.690	1.00
137_W	140_D	0.687	1.00
6_V	50_L	0.682	1.00
20_L	26_V	0.677	1.00
232_G	235_A	0.673	1.00
205_T	208_N	0.669	1.00
151_T	155_G	0.666	1.00
3_L	19_C	0.666	1.00
236_D	277_D	0.666	1.00
100_D	104_R	0.661	1.00
175_V	179_L	0.655	1.00
207_N	213_R	0.654	1.00
183_Y	217_L	0.652	1.00
175_V	182_T	0.652	1.00
67_V	73_V	0.650	1.00
36_R	40_A	0.649	1.00
171_V	189_L	0.647	1.00
215_W	218_E	0.646	1.00
11_M	15_V	0.646	1.00
112_Y	162_A	0.645	1.00
133_G	158_R	0.645	1.00
115_C	132_V	0.643	0.99
33_A	36_R	0.642	0.99
143_V	158_R	0.642	0.99
37_E	46_P	0.639	0.99
85_D	110_F	0.639	0.99
97_H	246_W	0.638	0.99
63_I	84_L	0.633	0.99
13_R	39_A	0.633	0.99
77_L	104_R	0.632	0.99
238_V	241_G	0.631	0.99
51_D	78_D	0.631	0.99
132_V	146_F	0.629	0.99
245_T	252_L	0.628	0.99
75_A	78_D	0.627	0.99
244_G	268_R	0.626	0.99
96_S	166_H	0.625	0.99
50_L	54_A	0.622	0.99
248_V	252_L	0.619	0.99
202_V	206_W	0.618	0.99
63_I	88_D	0.617	0.99
75_A	79_E	0.614	0.99
179_L	214_S	0.614	0.99
47_A	56_E	0.613	0.99
30_D	33_A	0.611	0.99
257_P	270_G	0.611	0.99
96_S	101_S	0.610	0.99
8_L	16_V	0.610	0.99
266_S	270_G	0.610	0.99
73_V	92_D	0.604	0.99
29_F	50_L	0.603	0.99
263_Q	267_E	0.603	0.99
73_V	100_D	0.603	0.99
209_G	212_I	0.600	0.99
155_G	208_N	0.596	0.99
123_G	128_F	0.594	0.99
17_D	20_L	0.593	0.99
189_L	258_V	0.591	0.99
178_A	264_A	0.591	0.99
206_W	212_I	0.586	0.99
219_L	222_E	0.586	0.99
30_D	72_P	0.586	0.99
16_V	28_A	0.583	0.99
6_V	53_L	0.583	0.99
207_N	217_L	0.583	0.99
180_M	281_F	0.579	0.99
9_G	68_P	0.579	0.99
71_D	74_D	0.578	0.99
14_I	121_P	0.576	0.99
51_D	82_P	0.576	0.99
146_F	150_A	0.575	0.99
257_P	273_S	0.572	0.99
168_V	202_V	0.571	0.99
115_C	146_F	0.571	0.99
181_Q	267_E	0.568	0.99
98_F	167_Y	0.566	0.99
157_D	201_A	0.564	0.99
197_L	202_V	0.562	0.99
170_M	247_T	0.560	0.99
65_L	92_D	0.560	0.99
132_V	156_H	0.559	0.99
86_S	108_H	0.558	0.99
17_D	38_D	0.557	0.99
136_E	139_Y	0.554	0.98
55_A	85_D	0.553	0.98
2_E	56_E	0.553	0.98
179_L	216_L	0.552	0.98
236_D	240_G	0.552	0.98
36_R	39_A	0.544	0.98
73_V	104_R	0.541	0.98
212_I	215_W	0.540	0.98
204_R	221_E	0.540	0.98
188_E	256_V	0.537	0.98
62_R	142_L	0.537	0.98
2_E	60_E	0.534	0.98
64_W	149_V	0.532	0.98
138_A	162_A	0.531	0.98
18_R	22_A	0.531	0.98
189_L	251_A	0.530	0.98
81_A	104_R	0.530	0.98
91_V	146_F	0.529	0.98
144_P	148_A	0.527	0.98
76_A	79_E	0.527	0.98
174_G	189_L	0.526	0.98
80_L	84_L	0.524	0.98
92_D	101_S	0.524	0.98
164_A	167_Y	0.523	0.98
14_I	127_G	0.522	0.98
239_A	269_F	0.522	0.98
60_E	63_I	0.521	0.98
16_V	39_A	0.519	0.98
50_L	79_E	0.518	0.98
169_K	173_N	0.516	0.98
123_G	126_L	0.514	0.98
130_L	146_F	0.514	0.98
204_R	225_R	0.513	0.98
36_R	48_D	0.511	0.97
137_W	141_D	0.510	0.97
232_G	238_V	0.509	0.97
279_G	282_A	0.509	0.97
50_L	53_L	0.506	0.97
175_V	206_W	0.506	0.97
4_G	27_V	0.504	0.97
231_L	234_V	0.504	0.97
199_L	225_R	0.503	0.97
176_E	216_L	0.503	0.97
145_V	148_A	0.502	0.97
99_E	103_R	0.501	0.97
204_R	208_N	0.500	0.97

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
3ckyA	4	0.9443	100	0.401	Contact Map
3obbA	4	0.918	100	0.401	Contact Map
1vpdA	1	0.941	100	0.402	Contact Map
3pduA	4	0.9148	100	0.402	Contact Map
3pefA	5	0.9148	100	0.404	Contact Map
2zydA	2	0.9639	100	0.405	Contact Map
3dojA	3	0.9213	100	0.405	Contact Map
4gbjA	2	0.9344	100	0.406	Contact Map
1yb4A	4	0.9311	100	0.411	Contact Map
3g0oA	3	0.9082	100	0.415	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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