BTUF - ECOLI - GREMLIN Contacts

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BTUF - Vitamin B12-binding protein

UniProt:	P37028	Sequences: MAKSLFRALVALSFLAPLWLNAAPRVITLSPANTELAFAAGITPVGVSSYSDYPPQAQKIEQVSTWQGMNLERIVALKPDLVIAWRGGNAERQVDQLASLGIKVMWVDATSIEQIANALRQLAPWSPQPDKAEQAAQSLLDQYAQLKAQYADKPKKRVFLQFGINPPFTSGKESIQNQVLEVCGGENIFKDSRVPWPQVSREQVLARSPQAIVITGGPDQIPKIKQYWGEQLKIPVIPLTSDWFERASPRIILAAQQLCNALSQVD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12334
Length:	266 (244)
Sequences:	14747 (11488)
Seq/√Len:	735.4

ECOLI - BTUF FECB FHUD FEPB
BACSU - YVRC YFIY YCLQ FHUD YFMC YHFQ YXEB FEUA BTR
HALSA - BTUFA Q9HMG8 Q9HPB0 Q9HMF9 Q9HSB2
SULSO - Q980Z0 Q97ZU2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
116_A	140_L	4.023	1.00
123_A	132_A	4.022	1.00
120_R	133_E	4.008	1.00
208_S	232_L	3.856	1.00
128_Q	131_K	3.492	1.00
142_Q	256_Q	3.278	1.00
124_P	129_P	2.939	1.00
28_T	34_T	2.904	1.00
120_R	136_A	2.691	1.00
131_K	134_Q	2.610	1.00
144_A	148_A	2.523	1.00
137_Q	141_D	2.516	1.00
73_R	76_A	2.512	1.00
133_E	137_Q	2.471	1.00
180_L	185_G	2.444	1.00
203_Q	206_A	2.244	1.00
177_N	181_E	2.208	1.00
157_R	186_E	2.207	1.00
27_I	74_I	2.206	1.00
140_L	144_A	2.030	1.00
15_L	98_A	2.022	1.00
26_V	126_S	2.013	1.00
96_Q	99_S	2.003	1.00
42_I	126_S	1.981	1.00
134_Q	138_S	1.949	1.00
145_Q	149_Q	1.920	1.00
37_A	126_S	1.915	1.00
36_L	119_L	1.912	1.00
25_R	45_V	1.911	1.00
210_Q	232_L	1.880	1.00
141_D	145_Q	1.840	1.00
231_Q	234_I	1.802	1.00
211_A	237_I	1.783	1.00
94_V	98_A	1.778	1.00
83_I	122_L	1.759	1.00
114_Q	117_N	1.756	1.00
42_I	128_Q	1.746	1.00
144_A	147_K	1.713	1.00
130_D	134_Q	1.698	1.00
211_A	235_P	1.655	1.00
138_S	142_Q	1.632	1.00
46_G	77_L	1.559	1.00
95_D	99_S	1.538	1.00
70_N	73_R	1.528	1.00
105_M	121_Q	1.526	1.00
69_M	74_I	1.521	1.00
131_K	135_A	1.498	1.00
91_E	95_D	1.495	1.00
228_W	234_I	1.473	1.00
117_N	120_R	1.472	1.00
105_M	125_W	1.467	1.00
116_A	136_A	1.460	1.00
28_T	37_A	1.457	1.00
27_I	77_L	1.445	1.00
117_N	121_Q	1.443	1.00
61_E	73_R	1.434	1.00
220_Q	223_K	1.425	1.00
95_D	98_A	1.423	1.00
75_V	100_L	1.413	1.00
40_A	128_Q	1.404	1.00
221_I	224_I	1.404	1.00
84_A	106_W	1.391	1.00
27_I	46_G	1.356	1.00
48_S	51_S	1.345	1.00
148_A	151_A	1.330	1.00
54_P	57_A	1.329	1.00
45_V	77_L	1.324	1.00
120_R	140_L	1.307	1.00
137_Q	140_L	1.307	1.00
129_P	133_E	1.305	1.00
201_R	225_K	1.304	1.00
155_K	186_E	1.289	1.00
38_F	57_A	1.282	1.00
90_A	93_Q	1.267	1.00
219_D	223_K	1.258	1.00
37_A	42_I	1.257	1.00
23_A	80_D	1.255	1.00
130_D	133_E	1.243	1.00
72_E	202_E	1.242	1.00
24_P	43_T	1.239	1.00
19_W	22_A	1.235	1.00
121_Q	124_P	1.228	1.00
218_P	222_P	1.209	1.00
188_I	207_R	1.200	1.00
119_L	132_A	1.199	1.00
203_Q	207_R	1.194	1.00
135_A	138_S	1.192	1.00
141_D	144_A	1.187	1.00
142_Q	145_Q	1.183	1.00
147_K	182_V	1.176	1.00
81_L	105_M	1.174	1.00
146_L	255_A	1.173	1.00
212_I	233_K	1.172	1.00
136_A	140_L	1.167	1.00
143_Y	255_A	1.156	1.00
188_I	191_D	1.155	1.00
53_Y	57_A	1.153	1.00
71_L	96_Q	1.150	1.00
166_P	198_Q	1.148	1.00
161_Q	225_K	1.132	1.00
142_Q	253_L	1.131	1.00
43_T	128_Q	1.122	1.00
24_P	80_D	1.121	1.00
37_A	83_I	1.119	1.00
55_P	58_Q	1.109	1.00
145_Q	148_A	1.109	1.00
157_R	161_Q	1.105	1.00
158_V	185_G	1.102	1.00
82_V	101_G	1.098	1.00
25_R	78_K	1.082	1.00
189_F	207_R	1.078	1.00
172_K	181_E	1.074	1.00
49_S	62_Q	1.066	1.00
157_R	210_Q	1.063	1.00
138_S	141_D	1.060	1.00
154_P	157_R	1.058	1.00
147_K	151_A	1.053	1.00
39_A	135_A	1.040	1.00
47_V	62_Q	1.029	1.00
159_F	169_T	1.024	1.00
107_V	121_Q	1.024	1.00
178_Q	181_E	1.020	1.00
228_W	231_Q	1.018	1.00
158_V	180_L	1.016	1.00
150_Y	259_C	1.008	1.00
213_V	258_L	0.999	1.00
93_Q	96_Q	0.999	1.00
226_Q	229_G	0.994	1.00
123_A	136_A	0.988	1.00
38_F	44_P	0.974	1.00
26_V	81_L	0.972	1.00
120_R	124_P	0.964	1.00
47_V	60_I	0.963	1.00
219_D	222_P	0.962	1.00
186_E	190_K	0.961	1.00
142_Q	146_L	0.961	1.00
44_P	60_I	0.949	1.00
143_Y	147_K	0.944	1.00
19_W	103_K	0.943	1.00
19_W	23_A	0.941	1.00
121_Q	125_W	0.935	1.00
156_K	211_A	0.934	1.00
37_A	44_P	0.934	1.00
191_D	207_R	0.929	1.00
122_L	126_S	0.925	1.00
145_Q	256_Q	0.924	1.00
178_Q	182_V	0.924	1.00
163_G	166_P	0.914	1.00
22_A	128_Q	0.909	1.00
118_A	121_Q	0.908	1.00
40_A	135_A	0.904	1.00
15_L	94_V	0.904	1.00
189_F	192_S	0.898	1.00
139_L	182_V	0.897	1.00
111_S	114_Q	0.897	1.00
159_F	162_F	0.889	1.00
14_F	17_P	0.888	1.00
139_L	143_Y	0.887	1.00
220_Q	224_I	0.883	1.00
132_A	136_A	0.873	1.00
187_N	191_D	0.873	1.00
214_I	238_P	0.869	1.00
243_W	257_Q	0.864	1.00
156_K	235_P	0.859	1.00
98_A	104_V	0.858	1.00
86_R	108_D	0.857	1.00
23_A	81_L	0.854	1.00
35_E	250_R	0.843	1.00
153_K	156_K	0.831	1.00
110_T	113_E	0.828	1.00
172_K	192_S	0.828	1.00
160_L	180_L	0.819	1.00
36_L	122_L	0.816	1.00
40_A	126_S	0.815	1.00
253_L	257_Q	0.812	1.00
21_N	24_P	0.811	1.00
33_N	83_I	0.810	1.00
158_V	161_Q	0.808	1.00
179_V	255_A	0.800	1.00
229_G	234_I	0.798	1.00
63_V	77_L	0.797	1.00
26_V	37_A	0.797	1.00
115_I	139_L	0.796	1.00
155_K	159_F	0.796	1.00
254_A	257_Q	0.796	1.00
120_R	123_A	0.791	1.00
240_T	257_Q	0.790	1.00
28_T	44_P	0.789	1.00
40_A	131_K	0.786	1.00
169_T	189_F	0.785	1.00
213_V	237_I	0.780	1.00
116_A	120_R	0.774	1.00
214_I	236_V	0.772	1.00
133_E	136_A	0.771	1.00
38_F	56_Q	0.764	1.00
135_A	139_L	0.763	1.00
156_K	160_L	0.762	1.00
189_F	203_Q	0.759	1.00
146_L	259_C	0.758	1.00
225_K	229_G	0.757	1.00
83_I	125_W	0.753	1.00
205_L	209_P	0.753	1.00
134_Q	137_Q	0.753	1.00
92_R	95_D	0.751	1.00
173_E	177_N	0.749	1.00
232_L	235_P	0.746	1.00
122_L	125_W	0.740	1.00
149_Q	259_C	0.738	1.00
146_L	150_Y	0.738	1.00
40_A	123_A	0.738	1.00
22_A	127_P	0.737	1.00
17_P	105_M	0.734	1.00
107_V	122_L	0.734	1.00
160_L	215_T	0.729	1.00
30_S	85_W	0.727	1.00
41_G	128_Q	0.727	1.00
174_S	177_N	0.726	1.00
200_S	203_Q	0.725	1.00
113_E	117_N	0.725	1.00
146_L	252_I	0.722	1.00
14_F	94_V	0.721	1.00
46_G	64_S	0.717	1.00
143_Y	182_V	0.713	1.00
116_A	139_L	0.709	1.00
39_A	119_L	0.703	1.00
113_E	116_A	0.699	1.00
29_L	82_V	0.699	1.00
199_V	207_R	0.698	1.00
187_N	190_K	0.696	1.00
35_E	248_S	0.694	1.00
53_Y	56_Q	0.693	1.00
218_P	221_I	0.692	1.00
119_L	135_A	0.689	1.00
126_S	129_P	0.687	1.00
157_R	185_G	0.686	1.00
33_N	107_V	0.682	1.00
170_S	196_W	0.681	1.00
61_E	64_S	0.681	1.00
82_V	100_L	0.680	1.00
107_V	118_A	0.678	1.00
172_K	190_K	0.676	1.00
116_A	143_Y	0.667	1.00
205_L	231_Q	0.667	1.00
157_R	162_F	0.665	1.00
156_K	185_G	0.660	1.00
81_L	125_W	0.658	1.00
25_R	80_D	0.658	1.00
139_L	252_I	0.656	1.00
82_V	104_V	0.654	1.00
185_G	211_A	0.653	1.00
225_K	228_W	0.652	1.00
157_R	188_I	0.650	1.00
149_Q	152_D	0.649	1.00
217_G	241_S	0.648	1.00
74_I	97_L	0.641	1.00
79_P	82_V	0.638	1.00
170_S	176_Q	0.637	1.00
37_A	122_L	0.636	1.00
204_V	231_Q	0.633	1.00
253_L	256_Q	0.630	1.00
136_A	139_L	0.629	1.00
40_A	119_L	0.628	1.00
158_V	162_F	0.628	1.00
161_Q	212_I	0.625	1.00
41_G	131_K	0.624	1.00
183_C	255_A	0.619	1.00
65_T	68_G	0.617	1.00
218_P	224_I	0.615	1.00
116_A	182_V	0.614	1.00
53_Y	250_R	0.614	1.00
109_A	118_A	0.613	1.00
120_R	129_P	0.612	1.00
142_Q	252_I	0.611	1.00
205_L	230_E	0.611	1.00
94_V	106_W	0.610	1.00
34_T	47_V	0.608	1.00
119_L	136_A	0.608	1.00
115_I	251_I	0.603	1.00
113_E	140_L	0.602	1.00
177_N	187_N	0.597	1.00
103_K	106_W	0.593	1.00
22_A	80_D	0.591	1.00
148_A	152_D	0.590	1.00
245_E	248_S	0.590	1.00
173_E	194_V	0.588	1.00
156_K	162_F	0.588	1.00
157_R	160_L	0.587	1.00
156_K	161_Q	0.587	1.00
71_L	74_I	0.587	1.00
240_T	243_W	0.586	1.00
40_A	132_A	0.586	1.00
143_Y	146_L	0.586	1.00
179_V	251_I	0.586	1.00
33_N	122_L	0.582	1.00
72_E	75_V	0.582	1.00
75_V	202_E	0.582	1.00
247_A	254_A	0.582	1.00
169_T	199_V	0.581	1.00
189_F	199_V	0.580	1.00
212_I	228_W	0.579	1.00
250_R	253_L	0.578	1.00
71_L	93_Q	0.578	1.00
215_T	239_L	0.578	1.00
29_L	63_V	0.576	1.00
243_W	253_L	0.571	1.00
82_V	97_L	0.568	1.00
255_A	259_C	0.567	1.00
183_C	259_C	0.566	1.00
58_Q	61_E	0.565	1.00
159_F	209_P	0.563	1.00
177_N	190_K	0.558	1.00
20_L	103_K	0.553	1.00
147_K	183_C	0.553	1.00
98_A	103_K	0.552	1.00
34_T	38_F	0.549	1.00
28_T	33_N	0.549	1.00
28_T	47_V	0.548	1.00
83_I	105_M	0.548	1.00
115_I	119_L	0.547	1.00
84_A	104_V	0.545	1.00
27_I	63_V	0.545	1.00
146_L	149_Q	0.545	1.00
33_N	36_L	0.544	1.00
227_Y	230_E	0.541	1.00
150_Y	153_K	0.541	1.00
244_F	247_A	0.540	1.00
18_L	21_N	0.539	1.00
73_R	77_L	0.535	1.00
19_W	125_W	0.535	1.00
208_S	233_K	0.535	1.00
168_F	198_Q	0.535	1.00
172_K	177_N	0.534	1.00
64_S	69_M	0.534	1.00
97_L	104_V	0.533	1.00
84_A	94_V	0.531	1.00
46_G	63_V	0.530	1.00
19_W	105_M	0.528	1.00
71_L	100_L	0.526	1.00
110_T	114_Q	0.524	1.00
252_I	256_Q	0.524	1.00
69_M	93_Q	0.524	1.00
172_K	191_D	0.524	1.00
247_A	250_R	0.523	1.00
175_I	247_A	0.522	1.00
155_K	161_Q	0.522	1.00
155_K	158_V	0.519	1.00
243_W	246_R	0.519	1.00
52_D	246_R	0.518	1.00
38_F	60_I	0.517	1.00
143_Y	252_I	0.516	1.00
199_V	204_V	0.514	1.00
147_K	184_G	0.512	1.00
17_P	103_K	0.511	1.00
38_F	54_P	0.511	1.00
96_Q	100_L	0.510	1.00
147_K	150_Y	0.510	1.00
170_S	174_S	0.510	1.00
150_Y	155_K	0.509	1.00
179_V	258_L	0.509	1.00
140_L	143_Y	0.508	1.00
156_K	210_Q	0.508	1.00
72_E	76_A	0.506	1.00
27_I	79_P	0.504	1.00
19_W	81_L	0.504	1.00
94_V	104_V	0.501	0.99
27_I	45_V	0.500	0.99

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
1n2zA	3	0.9211	100	0.217	Contact Map
4hn9A	1	0.9925	100	0.219	Contact Map
4pagA	2	0.9812	100	0.238	Contact Map
4m7oA	1	0.9098	100	0.24	Contact Map
4ovkA	1	0.9737	100	0.24	Contact Map
4mlzA	1	0.9812	100	0.246	Contact Map
3pshA	1	0.9699	100	0.251	Contact Map
4n01A	1	0.9887	100	0.256	Contact Map
2q8pA	1	0.9098	100	0.265	Contact Map
4ljsA	1	0.9812	100	0.265	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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