SUMT - BACSU - GREMLIN Contacts

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SUMT - Uroporphyrinogen-III C-methyltransferase

UniProt:	O34744	Sequences: MGKVYIVGAGPGDPDLLTIKALKAIEKADVILYDRLVNKEILQYAKEQADLIYCGKLPDFHTMKQETINRFLVKYAQKGKMVVRLKGGDPFVFGRGGEEAECLSENGIPFEIIPGITSGIAAAAYAGIPVTHRDAGSNVAFVTGHYKKEEDFEEKWKALATGIDTLVIYMGIKNVQQIERKLLENGRDGSTPAAFIHWGTTDKQKSVFCTVDTLSETVIKENITNPSLIVIGNVVNYHYKLEWFESELKKQDLSEAL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	257 (220)
Sequences:	12754 (8233)
Seq/√Len:	555.1

ECOLI - CYSG RSMI
BACSU - SUMT NASF RSMI
HALSA - Q9HPM9 Q9HPN2 Q9HMY4 Q9HPN0 Q9HPM0 Q9HPN3
SULSO - Q97WC9 Q97UT5 Q97W12 Q97WC5 Q97WD1 Q97WC8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_D	23_K	3.856	1.00
22_L	26_E	3.298	1.00
5_Y	24_A	2.593	1.00
189_G	212_D	2.528	1.00
75_Y	80_K	2.528	1.00
125_Y	204_Q	2.527	1.00
209_C	213_T	2.523	1.00
28_A	83_V	2.476	1.00
3_K	111_E	2.463	1.00
197_H	205_K	2.413	1.00
3_K	109_P	2.324	1.00
23_K	27_K	2.204	1.00
38_N	85_L	2.203	1.00
7_V	83_V	2.172	1.00
77_Q	106_N	2.109	1.00
19_I	22_L	2.090	1.00
5_Y	81_M	2.079	1.00
118_S	169_Y	2.045	1.00
50_D	75_Y	2.037	1.00
122_A	199_G	2.027	1.00
196_I	199_G	1.995	1.00
29_D	81_M	1.988	1.00
210_T	213_T	1.959	1.00
198_W	203_K	1.859	1.00
7_V	21_A	1.849	1.00
75_Y	78_K	1.839	1.00
209_C	217_T	1.837	1.00
73_V	106_N	1.836	1.00
193_A	214_L	1.798	1.00
102_C	106_N	1.735	1.00
29_D	80_K	1.711	1.00
8_G	113_I	1.707	1.00
23_K	26_E	1.682	1.00
30_V	75_Y	1.672	1.00
155_K	158_A	1.671	1.00
181_K	184_E	1.645	1.00
3_K	81_M	1.606	1.00
24_A	113_I	1.601	1.00
102_C	105_E	1.598	1.00
5_Y	111_E	1.580	1.00
15_D	20_K	1.569	1.00
196_I	206_S	1.552	1.00
74_K	78_K	1.550	1.00
39_K	43_Q	1.539	1.00
192_P	232_G	1.506	1.00
117_T	120_I	1.448	1.00
209_C	214_L	1.441	1.00
217_T	221_E	1.436	1.00
179_E	183_L	1.422	1.00
77_Q	108_I	1.415	1.00
13_D	20_K	1.410	1.00
125_Y	206_S	1.401	1.00
71_F	75_Y	1.399	1.00
73_V	77_Q	1.391	1.00
126_A	194_A	1.391	1.00
20_K	111_E	1.388	1.00
213_T	217_T	1.382	1.00
187_R	191_T	1.375	1.00
119_G	169_Y	1.367	1.00
176_Q	219_I	1.367	1.00
71_F	74_K	1.354	1.00
198_W	201_T	1.345	1.00
31_I	45_A	1.340	1.00
27_K	81_M	1.335	1.00
190_S	212_D	1.332	1.00
149_E	181_K	1.321	1.00
17_L	22_L	1.307	1.00
122_A	196_I	1.307	1.00
70_R	74_K	1.298	1.00
182_L	211_V	1.294	1.00
180_R	184_E	1.292	1.00
233_N	236_N	1.277	1.00
216_E	220_K	1.275	1.00
117_T	169_Y	1.274	1.00
8_G	89_D	1.267	1.00
76_A	108_I	1.266	1.00
168_I	231_I	1.257	1.00
91_F	96_G	1.253	1.00
22_L	44_Y	1.252	1.00
50_D	80_K	1.232	1.00
179_E	215_S	1.226	1.00
33_Y	51_L	1.213	1.00
112_I	124_A	1.203	1.00
4_V	76_A	1.201	1.00
18_T	116_I	1.199	1.00
69_N	102_C	1.181	1.00
140_A	163_I	1.180	1.00
4_V	103_L	1.173	1.00
24_A	83_V	1.171	1.00
195_F	227_S	1.164	1.00
67_T	70_R	1.163	1.00
217_T	220_K	1.135	1.00
32_L	82_V	1.134	1.00
157_K	184_E	1.122	1.00
32_L	72_L	1.121	1.00
207_V	217_T	1.117	1.00
141_F	169_Y	1.114	1.00
193_A	211_V	1.109	1.00
17_L	21_A	1.083	1.00
73_V	102_C	1.071	1.00
176_Q	180_R	1.067	1.00
167_V	230_V	1.065	1.00
142_V	155_K	1.064	1.00
140_A	164_D	1.064	1.00
84_R	99_E	1.053	1.00
182_L	231_I	1.053	1.00
194_A	208_F	1.048	1.00
30_V	82_V	1.043	1.00
205_K	221_E	1.037	1.00
6_I	96_G	1.035	1.00
194_A	206_S	1.028	1.00
174_N	177_Q	1.028	1.00
37_V	40_E	1.026	1.00
16_L	20_K	1.024	1.00
134_D	164_D	1.009	1.00
103_L	108_I	1.003	1.00
28_A	81_M	1.003	1.00
183_L	212_D	0.993	1.00
157_K	161_T	0.988	1.00
38_N	42_L	0.987	1.00
223_I	227_S	0.986	1.00
68_I	71_F	0.983	1.00
183_L	189_G	0.979	1.00
65_Q	98_E	0.975	1.00
89_D	124_A	0.972	1.00
32_L	75_Y	0.966	1.00
180_R	215_S	0.953	1.00
15_D	19_I	0.949	1.00
142_V	156_W	0.947	1.00
197_H	224_T	0.939	1.00
153_E	181_K	0.934	1.00
5_Y	113_I	0.933	1.00
168_I	171_G	0.930	1.00
32_L	52_I	0.928	1.00
176_Q	215_S	0.925	1.00
61_H	64_K	0.920	1.00
177_Q	181_K	0.920	1.00
40_E	43_Q	0.903	1.00
104_S	208_F	0.898	1.00
38_N	45_A	0.898	1.00
8_G	90_P	0.897	1.00
65_Q	69_N	0.896	1.00
21_A	113_I	0.896	1.00
104_S	127_G	0.894	1.00
100_A	110_F	0.894	1.00
19_I	23_K	0.891	1.00
158_A	161_T	0.891	1.00
41_I	44_Y	0.890	1.00
157_K	181_K	0.890	1.00
121_A	200_T	0.883	1.00
5_Y	28_A	0.881	1.00
52_I	71_F	0.877	1.00
179_E	211_V	0.877	1.00
64_K	67_T	0.874	1.00
112_I	206_S	0.874	1.00
171_G	174_N	0.869	1.00
17_L	41_I	0.866	1.00
134_D	139_V	0.865	1.00
30_V	80_K	0.861	1.00
190_S	210_T	0.859	1.00
167_V	228_L	0.857	1.00
32_L	71_F	0.856	1.00
128_I	194_A	0.854	1.00
183_L	215_S	0.844	1.00
147_K	154_E	0.842	1.00
157_K	160_A	0.841	1.00
11_P	16_L	0.841	1.00
139_V	164_D	0.839	1.00
91_F	112_I	0.836	1.00
143_T	155_K	0.827	1.00
139_V	155_K	0.827	1.00
101_E	105_E	0.824	1.00
7_V	24_A	0.820	1.00
53_Y	61_H	0.814	1.00
177_Q	180_R	0.813	1.00
123_A	130_V	0.811	1.00
183_L	211_V	0.809	1.00
7_V	113_I	0.807	1.00
219_I	222_N	0.805	1.00
175_V	214_L	0.801	1.00
97_G	101_E	0.800	1.00
69_N	73_V	0.798	1.00
158_A	162_G	0.795	1.00
24_A	27_K	0.795	1.00
92_V	120_I	0.782	1.00
175_V	229_I	0.780	1.00
24_A	111_E	0.780	1.00
122_A	230_V	0.780	1.00
192_P	210_T	0.779	1.00
90_P	94_G	0.770	1.00
42_L	45_A	0.766	1.00
188_D	191_T	0.764	1.00
195_F	214_L	0.762	1.00
178_I	229_I	0.761	1.00
30_V	52_I	0.758	1.00
182_L	187_R	0.758	1.00
66_E	102_C	0.749	1.00
104_S	110_F	0.747	1.00
24_A	81_M	0.746	1.00
170_M	174_N	0.743	1.00
70_R	102_C	0.736	1.00
74_K	77_Q	0.735	1.00
112_I	125_Y	0.733	1.00
26_E	44_Y	0.729	1.00
20_K	23_K	0.726	1.00
97_G	129_P	0.726	1.00
134_D	162_G	0.721	1.00
146_Y	153_E	0.718	1.00
194_A	230_V	0.717	1.00
76_A	82_V	0.717	1.00
52_I	75_Y	0.717	1.00
132_H	139_V	0.713	1.00
89_D	112_I	0.712	1.00
70_R	106_N	0.712	1.00
169_Y	228_L	0.704	1.00
125_Y	200_T	0.703	1.00
191_T	233_N	0.701	1.00
14_P	40_E	0.699	1.00
20_K	113_I	0.698	1.00
163_I	187_R	0.697	1.00
96_G	100_A	0.697	1.00
31_I	49_A	0.696	1.00
207_V	223_I	0.696	1.00
46_K	49_A	0.690	1.00
97_G	132_H	0.689	1.00
197_H	227_S	0.688	1.00
172_I	227_S	0.688	1.00
8_G	121_A	0.688	1.00
207_V	214_L	0.687	1.00
39_K	42_L	0.686	1.00
40_E	44_Y	0.686	1.00
216_E	219_I	0.685	1.00
67_T	71_F	0.682	1.00
5_Y	83_V	0.681	1.00
45_A	49_A	0.679	1.00
121_A	199_G	0.674	1.00
119_G	167_V	0.674	1.00
166_L	231_I	0.671	1.00
97_G	131_T	0.664	1.00
24_A	28_A	0.660	1.00
146_Y	181_K	0.659	1.00
13_D	16_L	0.656	1.00
91_F	124_A	0.655	1.00
142_V	168_I	0.651	1.00
92_V	130_V	0.649	1.00
66_E	70_R	0.649	1.00
86_K	94_G	0.648	1.00
28_A	31_I	0.646	1.00
20_K	24_A	0.641	1.00
176_Q	216_E	0.640	1.00
25_I	83_V	0.640	1.00
25_I	31_I	0.633	1.00
100_A	104_S	0.632	1.00
135_A	236_N	0.630	1.00
21_A	83_V	0.625	1.00
13_D	200_T	0.625	1.00
158_A	163_I	0.623	1.00
63_M	67_T	0.623	1.00
175_V	179_E	0.622	1.00
157_K	186_G	0.622	1.00
52_I	68_I	0.622	1.00
21_A	41_I	0.620	1.00
153_E	184_E	0.620	1.00
73_V	103_L	0.612	1.00
215_S	219_I	0.611	1.00
17_L	45_A	0.611	1.00
32_L	54_C	0.608	1.00
8_G	116_I	0.604	1.00
6_I	100_A	0.603	1.00
35_R	53_Y	0.598	1.00
213_T	216_E	0.596	1.00
49_A	52_I	0.594	1.00
19_I	44_Y	0.591	1.00
207_V	221_E	0.590	1.00
25_I	45_A	0.586	1.00
123_A	230_V	0.583	1.00
22_L	45_A	0.582	1.00
38_N	41_I	0.575	0.99
155_K	159_L	0.573	0.99
66_E	98_E	0.573	0.99
122_A	228_L	0.573	0.99
41_I	45_A	0.572	0.99
69_N	72_L	0.571	0.99
103_L	110_F	0.570	0.99
172_I	223_I	0.569	0.99
175_V	227_S	0.565	0.99
171_G	178_I	0.563	0.99
73_V	108_I	0.563	0.99
53_Y	62_T	0.561	0.99
217_T	223_I	0.560	0.99
63_M	71_F	0.555	0.99
144_G	174_N	0.555	0.99
66_E	69_N	0.554	0.99
180_R	219_I	0.553	0.99
121_A	125_Y	0.551	0.99
140_A	162_G	0.550	0.99
93_F	135_A	0.550	0.99
196_I	230_V	0.549	0.99
155_K	161_T	0.547	0.99
153_E	157_K	0.547	0.99
175_V	178_I	0.546	0.99
154_E	157_K	0.544	0.99
29_D	46_K	0.544	0.99
193_A	215_S	0.542	0.99
69_N	98_E	0.539	0.99
130_V	167_V	0.539	0.99
65_Q	68_I	0.537	0.99
91_F	100_A	0.536	0.99
135_A	233_N	0.533	0.99
156_W	178_I	0.530	0.99
132_H	135_A	0.529	0.99
14_P	44_Y	0.529	0.99
31_I	42_L	0.528	0.99
144_G	148_K	0.526	0.99
188_D	212_D	0.524	0.99
232_G	235_V	0.522	0.99
212_D	215_S	0.521	0.99
198_W	226_P	0.518	0.99
35_R	225_N	0.517	0.99
101_E	132_H	0.517	0.99
34_D	38_N	0.514	0.99
72_L	76_A	0.513	0.99
178_I	181_K	0.513	0.99
162_G	166_L	0.512	0.99
36_L	41_I	0.511	0.99
116_I	121_A	0.507	0.99
6_I	110_F	0.502	0.99
119_G	141_F	0.501	0.99
54_C	65_Q	0.501	0.99
19_I	26_E	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
1pjqA	2	0.9377	100	0.207	Contact Map
2yboA	2	0.9222	100	0.211	Contact Map
1s4dA	4	0.9689	100	0.213	Contact Map
4e16A	2	0.8872	100	0.241	Contact Map
1ve2A	2	0.8833	100	0.249	Contact Map
3kwpA	2	0.8755	100	0.262	Contact Map
1cbfA	2	0.8988	100	0.27	Contact Map
2zvbA	2	0.8521	100	0.275	Contact Map
1va0A	2	0.9066	100	0.279	Contact Map
1vhvA	2	0.9144	100	0.301	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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