HEM3 - SULSO - GREMLIN Contacts

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HEM3 - Probable porphobilinogen deaminase

UniProt:	Q980U4	Sequences: MKILIAARGSKLSRVQVDMVGEKLRKIGIEYDVIDIKTKADLFSTEPLSKLGKGVFEKEVNEAVLEGKADVAVHSMKDILSEINPELEIFAVIERDPPYDILIAEKNLHKLDPNTTIGTSSIRRKNFIKYIRPEINTKDIRGNVDTRIRKYLSKEYDGLILAEASIKRLNISISYHRLNVYDFTPEANQGIIVVLGRKKDEKVKEVFKEITHKDTLDEALAERATISVVGGGCHSPIGVLFRKEGKEFYGIASYSDGKKKITVSISKAGDPYTIGSELGLLLKKEMKNEGIIP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	293 (284)
Sequences:	3517 (2310)
Seq/√Len:	137.1

ECOLI - HEM3
BACSU - HEM3
HALSA - HEM3
SULSO - HEM3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
211_T	216_L	4.382	1.00
149_R	153_S	4.014	1.00
6_A	69_A	3.303	1.00
4_L	34_I	3.298	1.00
96_D	167_K	3.034	1.00
21_G	25_R	2.907	1.00
94_E	212_H	2.898	1.00
9_G	35_D	2.774	1.00
191_I	219_A	2.593	1.00
116_T	138_K	2.514	1.00
163_E	177_R	2.460	1.00
254_Y	258_K	2.404	1.00
197_R	200_D	2.395	1.00
152_L	174_S	2.356	1.00
9_G	37_K	2.293	1.00
23_K	26_K	2.266	1.00
86_E	198_K	2.112	1.00
88_E	198_K	2.096	1.00
125_K	129_K	2.096	1.00
228_V	280_L	2.051	1.00
249_Y	264_S	2.030	1.00
138_K	156_Y	2.021	1.00
144_V	169_L	2.016	1.00
43_F	46_E	2.008	1.00
116_T	136_N	1.985	1.00
107_N	110_K	1.959	1.00
11_K	145_D	1.955	1.00
212_H	215_T	1.922	1.00
5_I	21_G	1.914	1.00
140_I	159_L	1.898	1.00
263_V	278_L	1.897	1.00
265_I	281_L	1.894	1.00
88_E	204_K	1.879	1.00
247_E	266_S	1.874	1.00
90_F	196_G	1.868	1.00
62_E	66_E	1.854	1.00
61_N	195_L	1.832	1.00
18_D	22_E	1.817	1.00
93_I	192_I	1.803	1.00
76_M	188_N	1.798	1.00
216_L	220_L	1.759	1.00
225_T	250_G	1.720	1.00
19_M	23_K	1.699	1.00
27_I	209_E	1.686	1.00
263_V	281_L	1.677	1.00
17_V	33_V	1.656	1.00
91_A	211_T	1.651	1.00
14_R	35_D	1.608	1.00
65_L	87_L	1.607	1.00
37_K	42_L	1.591	1.00
270_D	273_T	1.588	1.00
69_A	72_A	1.588	1.00
279_G	283_K	1.579	1.00
179_N	182_D	1.578	1.00
280_L	284_K	1.562	1.00
187_A	239_V	1.525	1.00
131_I	182_D	1.517	1.00
275_G	279_G	1.507	1.00
7_A	33_V	1.505	1.00
201_E	205_E	1.491	1.00
283_K	286_M	1.485	1.00
18_D	21_G	1.484	1.00
63_A	68_K	1.478	1.00
218_E	243_K	1.477	1.00
145_D	171_I	1.465	1.00
271_P	275_G	1.462	1.00
196_G	204_K	1.461	1.00
23_K	27_I	1.448	1.00
129_K	137_T	1.442	1.00
200_D	203_V	1.441	1.00
92_V	191_I	1.437	1.00
281_L	285_E	1.435	1.00
263_V	285_E	1.423	1.00
275_G	283_K	1.422	1.00
25_R	30_E	1.421	1.00
109_H	182_D	1.420	1.00
99_Y	177_R	1.418	1.00
247_E	264_S	1.415	1.00
238_G	251_I	1.407	1.00
21_G	31_Y	1.400	1.00
228_V	276_S	1.398	1.00
4_L	32_D	1.397	1.00
220_L	272_Y	1.394	1.00
99_Y	163_E	1.386	1.00
279_G	286_M	1.356	1.00
90_F	204_K	1.347	1.00
265_I	278_L	1.345	1.00
117_I	158_G	1.342	1.00
167_K	172_S	1.326	1.00
76_M	193_V	1.311	1.00
271_P	274_I	1.303	1.00
221_A	248_F	1.302	1.00
97_P	163_E	1.298	1.00
213_K	217_D	1.296	1.00
101_I	163_E	1.284	1.00
15_V	19_M	1.271	1.00
22_E	26_K	1.258	1.00
217_D	268_A	1.258	1.00
275_G	286_M	1.246	1.00
249_Y	262_T	1.231	1.00
125_K	139_D	1.230	1.00
103_I	148_I	1.222	1.00
156_Y	159_L	1.213	1.00
242_R	249_Y	1.212	1.00
253_S	260_K	1.211	1.00
178_L	183_F	1.210	1.00
138_K	155_E	1.209	1.00
5_I	71_V	1.205	1.00
34_I	68_K	1.199	1.00
163_E	167_K	1.198	1.00
3_I	203_V	1.195	1.00
176_H	182_D	1.181	0.99
203_V	207_F	1.179	0.99
36_I	60_V	1.178	0.99
17_V	21_G	1.177	0.99
277_E	281_L	1.175	0.99
89_I	193_V	1.174	0.99
125_K	137_T	1.171	0.99
276_S	280_L	1.163	0.99
76_M	219_A	1.161	0.99
150_K	155_E	1.161	0.99
117_I	128_I	1.158	0.99
28_G	31_Y	1.152	0.99
111_L	115_T	1.150	0.99
103_I	166_I	1.148	0.99
244_E	247_E	1.146	0.99
126_N	253_S	1.138	0.99
214_D	268_A	1.104	0.99
205_E	208_K	1.092	0.99
36_I	63_A	1.092	0.99
25_R	31_Y	1.090	0.99
14_R	18_D	1.089	0.99
109_H	176_H	1.077	0.99
243_K	268_A	1.077	0.99
225_T	278_L	1.074	0.99
151_Y	159_L	1.070	0.99
83_I	195_L	1.065	0.99
242_R	247_E	1.065	0.99
244_E	266_S	1.061	0.99
107_N	176_H	1.056	0.99
20_V	93_I	1.050	0.99
22_E	25_R	1.046	0.99
171_I	174_S	1.044	0.99
44_S	145_D	1.043	0.99
196_G	207_F	1.039	0.99
265_I	277_E	1.038	0.99
274_I	283_K	1.031	0.99
130_Y	260_K	1.028	0.99
47_P	139_D	1.028	0.99
224_A	228_V	1.020	0.99
273_T	277_E	0.994	0.98
117_I	135_I	0.993	0.98
9_G	36_I	0.989	0.98
268_A	271_P	0.989	0.98
4_L	67_G	0.977	0.98
63_A	69_A	0.974	0.98
144_V	161_L	0.972	0.98
132_R	135_I	0.971	0.98
128_I	135_I	0.969	0.98
18_D	33_V	0.966	0.98
282_L	286_M	0.961	0.98
274_I	286_M	0.957	0.98
172_S	175_Y	0.957	0.98
5_I	17_V	0.955	0.98
144_V	171_I	0.955	0.98
5_I	31_Y	0.950	0.98
272_Y	276_S	0.949	0.98
61_N	87_L	0.941	0.97
51_L	55_V	0.937	0.97
184_T	238_G	0.933	0.97
92_V	219_A	0.932	0.97
225_T	248_F	0.928	0.97
214_D	218_E	0.927	0.97
109_H	131_I	0.918	0.97
145_D	149_R	0.911	0.97
39_K	43_F	0.907	0.97
273_T	276_S	0.905	0.97
87_L	195_L	0.904	0.97
79_I	193_V	0.903	0.97
46_E	50_K	0.903	0.97
98_P	240_L	0.892	0.97
228_V	283_K	0.888	0.96
114_N	135_I	0.871	0.96
248_F	278_L	0.870	0.96
116_T	156_Y	0.868	0.96
163_E	175_Y	0.862	0.96
204_K	208_K	0.853	0.96
115_T	135_I	0.850	0.95
102_L	105_E	0.848	0.95
70_D	197_R	0.848	0.95
97_P	167_K	0.847	0.95
167_K	177_R	0.847	0.95
231_G	237_I	0.845	0.95
53_K	59_E	0.844	0.95
161_L	165_S	0.839	0.95
24_L	29_I	0.837	0.95
99_Y	179_N	0.832	0.95
112_D	115_T	0.825	0.95
191_I	215_T	0.823	0.95
115_T	132_R	0.823	0.95
130_Y	262_T	0.818	0.94
34_I	69_A	0.816	0.94
113_P	134_E	0.813	0.94
88_E	196_G	0.812	0.94
229_V	237_I	0.812	0.94
39_K	51_L	0.811	0.94
84_N	87_L	0.802	0.94
113_P	136_N	0.800	0.94
128_I	137_T	0.796	0.94
272_Y	275_G	0.793	0.93
108_L	176_H	0.791	0.93
254_Y	259_K	0.788	0.93
12_L	144_V	0.786	0.93
271_P	286_M	0.786	0.93
129_K	136_N	0.786	0.93
217_D	271_P	0.784	0.93
7_A	13_S	0.784	0.93
48_L	55_V	0.781	0.93
184_T	249_Y	0.780	0.93
97_P	177_R	0.780	0.93
178_L	182_D	0.778	0.93
251_I	260_K	0.773	0.93
199_K	204_K	0.772	0.92
9_G	14_R	0.771	0.92
201_E	204_K	0.770	0.92
105_E	152_L	0.768	0.92
101_I	166_I	0.766	0.92
3_I	31_Y	0.766	0.92
215_T	219_A	0.763	0.92
251_I	262_T	0.761	0.92
76_M	89_I	0.758	0.92
180_V	240_L	0.756	0.92
281_L	284_K	0.750	0.91
39_K	59_E	0.747	0.91
184_T	240_L	0.745	0.91
206_V	209_E	0.743	0.91
3_I	71_V	0.743	0.91
274_I	279_G	0.740	0.91
126_N	257_G	0.739	0.91
218_E	241_F	0.736	0.91
21_G	33_V	0.736	0.91
140_I	156_Y	0.732	0.90
101_I	175_Y	0.732	0.90
19_M	192_I	0.729	0.90
99_Y	180_V	0.729	0.90
57_E	81_S	0.723	0.90
253_S	262_T	0.723	0.90
102_L	158_G	0.723	0.90
57_E	87_L	0.720	0.90
76_M	92_V	0.720	0.90
118_G	156_Y	0.718	0.90
208_K	211_T	0.718	0.90
67_G	199_K	0.714	0.89
14_R	33_V	0.714	0.89
229_V	252_A	0.711	0.89
229_V	250_G	0.708	0.89
214_D	243_K	0.708	0.89
239_V	248_F	0.707	0.89
270_D	274_I	0.706	0.89
185_P	240_L	0.705	0.89
265_I	274_I	0.704	0.89
12_L	96_D	0.703	0.89
81_S	232_G	0.703	0.89
91_A	207_F	0.703	0.89
85_P	198_K	0.701	0.88
225_T	282_L	0.700	0.88
6_A	34_I	0.699	0.88
151_Y	156_Y	0.697	0.88
127_F	183_F	0.694	0.88
23_K	94_E	0.694	0.88
39_K	42_L	0.693	0.88
11_K	15_V	0.692	0.88
81_S	126_N	0.692	0.88
92_V	216_L	0.691	0.88
225_T	239_V	0.689	0.88
127_F	184_T	0.689	0.88
61_N	83_I	0.688	0.87
61_N	64_V	0.687	0.87
19_M	93_I	0.685	0.87
15_V	18_D	0.684	0.87
7_A	35_D	0.680	0.87
187_A	226_I	0.678	0.87
95_R	218_E	0.678	0.87
65_L	86_E	0.678	0.87
115_T	134_E	0.675	0.86
71_V	207_F	0.674	0.86
24_L	206_V	0.673	0.86
91_A	196_G	0.669	0.86
227_S	272_Y	0.668	0.86
111_L	114_N	0.667	0.86
114_N	132_R	0.666	0.86
102_L	108_L	0.663	0.85
19_M	22_E	0.660	0.85
17_V	31_Y	0.652	0.84
61_N	79_I	0.651	0.84
20_V	194_V	0.651	0.84
29_I	206_V	0.647	0.84
225_T	279_G	0.646	0.84
58_K	61_N	0.645	0.84
267_K	270_D	0.645	0.84
232_G	235_S	0.645	0.84
263_V	282_L	0.644	0.84
20_V	91_A	0.643	0.84
112_D	132_R	0.641	0.83
64_V	67_G	0.641	0.83
55_V	231_G	0.641	0.83
15_V	192_I	0.640	0.83
218_E	242_R	0.636	0.83
87_L	197_R	0.636	0.83
274_I	278_L	0.636	0.83
4_L	70_D	0.632	0.83
188_N	191_I	0.632	0.83
18_D	35_D	0.632	0.83
148_I	152_L	0.631	0.83
51_L	57_E	0.631	0.83
81_S	226_I	0.631	0.83
230_G	237_I	0.630	0.82
217_D	275_G	0.630	0.82
217_D	243_K	0.629	0.82
149_R	152_L	0.626	0.82
24_L	31_Y	0.625	0.82
250_G	278_L	0.625	0.82
144_V	165_S	0.618	0.81
53_K	61_N	0.617	0.81
154_K	158_G	0.616	0.81
227_S	276_S	0.613	0.81
131_I	134_E	0.613	0.81
25_R	28_G	0.613	0.81
36_I	145_D	0.610	0.80
277_E	280_L	0.610	0.80
131_I	178_L	0.609	0.80
246_K	268_A	0.609	0.80
274_I	277_E	0.608	0.80
71_V	196_G	0.607	0.80
148_I	151_Y	0.607	0.80
49_S	234_H	0.606	0.80
47_P	50_K	0.605	0.80
58_K	65_L	0.605	0.80
9_G	38_T	0.602	0.80
50_K	234_H	0.601	0.79
20_V	210_I	0.600	0.79
46_E	49_S	0.595	0.79
271_P	283_K	0.595	0.79
48_L	52_G	0.594	0.79
271_P	279_G	0.594	0.79
96_D	162_A	0.591	0.78
246_K	269_G	0.590	0.78
58_K	63_A	0.590	0.78
17_V	71_V	0.589	0.78
120_S	139_D	0.588	0.78
254_Y	257_G	0.587	0.78
60_V	93_I	0.584	0.77
38_T	59_E	0.584	0.77
181_Y	249_Y	0.581	0.77
11_K	169_L	0.579	0.77
217_D	269_G	0.579	0.77
252_A	257_G	0.576	0.76
164_A	192_I	0.576	0.76
202_K	205_E	0.575	0.76
96_D	164_A	0.574	0.76
235_S	252_A	0.573	0.76
108_L	111_L	0.573	0.76
267_K	271_P	0.570	0.76
160_I	183_F	0.565	0.75
43_F	51_L	0.563	0.75
269_G	274_I	0.562	0.75
151_Y	158_G	0.561	0.75
128_I	160_I	0.559	0.74
42_L	46_E	0.558	0.74
44_S	122_I	0.557	0.74
214_D	217_D	0.557	0.74
83_I	87_L	0.555	0.74
205_E	209_E	0.554	0.74
31_Y	71_V	0.554	0.74
8_R	12_L	0.553	0.74
118_G	154_K	0.552	0.73
148_I	166_I	0.552	0.73
6_A	36_I	0.551	0.73
198_K	204_K	0.551	0.73
44_S	54_G	0.551	0.73
106_K	157_D	0.551	0.73
15_V	166_I	0.548	0.73
203_V	206_V	0.548	0.73
64_V	195_L	0.547	0.73
221_A	239_V	0.545	0.72
43_F	53_K	0.544	0.72
119_T	125_K	0.544	0.72
53_K	235_S	0.542	0.72
113_P	132_R	0.540	0.72
184_T	251_I	0.540	0.72
72_A	185_P	0.540	0.72
113_P	116_T	0.539	0.72
145_D	169_L	0.537	0.71
43_F	55_V	0.536	0.71
269_G	275_G	0.536	0.71
129_K	258_K	0.535	0.71
52_G	122_I	0.534	0.71
280_L	283_K	0.534	0.71
185_P	241_F	0.530	0.70
82_E	227_S	0.530	0.70
111_L	132_R	0.528	0.70
75_S	193_V	0.526	0.70
75_S	194_V	0.525	0.70
50_K	53_K	0.524	0.70
57_E	60_V	0.520	0.69
4_L	69_A	0.518	0.69
11_K	18_D	0.518	0.69
58_K	84_N	0.517	0.69
111_L	117_I	0.515	0.68
234_H	237_I	0.514	0.68
46_E	51_L	0.512	0.68
36_I	69_A	0.510	0.68
171_I	175_Y	0.509	0.67
255_S	259_K	0.509	0.67
39_K	58_K	0.509	0.67
45_T	51_L	0.508	0.67
232_G	252_A	0.506	0.67
57_E	188_N	0.506	0.67
224_A	272_Y	0.505	0.67
111_L	158_G	0.505	0.67
7_A	17_V	0.505	0.67
127_F	229_V	0.504	0.67
46_E	234_H	0.503	0.66
104_A	158_G	0.502	0.66
75_S	162_A	0.501	0.66
18_D	25_R	0.500	0.66

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
1gtkA	1	0.9454	100	0.057	Contact Map
4mlvA	1	0.9283	100	0.059	Contact Map
4htgA	2	0.9693	100	0.064	Contact Map
3ecrA	1	0.9488	100	0.066	Contact Map
4gotA	1	0.7065	97.2	0.928	Contact Map
3un6A	1	0.8464	97	0.93	Contact Map
4ef1A	1	0.7031	96.6	0.934	Contact Map
3l6gA	1	0.7509	96.5	0.935	Contact Map
4ib2A	1	0.7031	96.4	0.935	Contact Map
4qhqA	1	0.686	96.3	0.936	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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