Q980X4 - SULSO - GREMLIN Contacts

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Q980X4 - D-arabino 3-hexulose 6-phosphate formaldehyde lyase (HpS-1)

UniProt:	Q980X4	Sequences: MSSSLDDYPLSLKTMYDIAEFILRAAKAIKPEQTIKMVNELENFYKNNRNGKVLVMGAGRSGLVGRAFAMRLLHLGFNSYVLGETIVPAIGKNDIVVAISGSGRTKLILTAAEAAKEAGAKLISITSYFDSPLAKISDVVIEIPGRTKYSKNEDYFARQILGITEPLAPLGTLFEDTTQIFLDGIVAELMIRLKKTEEDLRLIHANIEL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	209 (169)
Sequences:	10628 (7115)
Seq/√Len:	547.3

ECOLI - KDSD GUTQ RPIR GLMS MURR YFHH HEXR AGAS FRLB
BACSU - PHI YBBH GLMS GLVR
HALSA - GLMS
SULSO - Q980X4 Q980D3 Q97YQ6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
104_R	132_P	3.836	1.00
124_S	137_S	3.355	1.00
51_G	93_N	3.221	1.00
116_K	138_D	3.034	1.00
113_E	136_I	2.910	1.00
44_F	121_K	2.717	1.00
114_A	117_E	2.278	1.00
24_R	28_A	2.249	1.00
23_L	27_K	2.210	1.00
169_P	172_T	2.170	1.00
52_K	78_N	1.974	1.00
51_G	91_G	1.961	1.00
98_A	112_A	1.900	1.00
106_K	110_T	1.886	1.00
99_I	182_L	1.850	1.00
56_M	96_V	1.808	1.00
96_V	115_A	1.760	1.00
121_K	139_V	1.714	1.00
55_V	65_G	1.711	1.00
143_I	178_T	1.707	1.00
55_V	97_V	1.697	1.00
121_K	138_D	1.652	1.00
100_S	133_L	1.639	1.00
51_G	94_D	1.609	1.00
65_G	99_I	1.590	1.00
68_F	72_L	1.576	1.00
67_A	70_M	1.573	1.00
95_I	123_I	1.548	1.00
143_I	181_F	1.546	1.00
112_A	122_L	1.540	1.00
112_A	133_L	1.535	1.00
67_A	71_R	1.511	1.00
124_S	140_V	1.509	1.00
10_L	13_K	1.504	1.00
12_L	16_Y	1.480	1.00
141_I	181_F	1.477	1.00
26_A	180_I	1.477	1.00
71_R	74_H	1.463	1.00
36_K	39_N	1.404	1.00
134_A	142_E	1.385	1.00
68_F	182_L	1.380	1.00
99_I	178_T	1.378	1.00
122_L	137_S	1.376	1.00
188_E	192_R	1.361	1.00
91_G	94_D	1.353	1.00
134_A	140_V	1.353	1.00
90_I	120_A	1.339	1.00
41_L	123_I	1.338	1.00
50_N	93_N	1.337	1.00
114_A	118_A	1.326	1.00
16_Y	20_E	1.325	1.00
129_F	142_E	1.324	1.00
24_R	27_K	1.318	1.00
68_F	71_R	1.301	1.00
58_A	85_T	1.290	1.00
60_R	169_P	1.287	1.00
115_A	120_A	1.277	1.00
126_T	140_V	1.239	1.00
23_L	30_K	1.235	1.00
126_T	134_A	1.215	1.00
48_N	192_R	1.197	1.00
69_A	73_L	1.193	1.00
56_M	98_A	1.192	1.00
20_E	24_R	1.182	1.00
11_S	39_N	1.179	1.00
131_S	134_A	1.172	1.00
124_S	133_L	1.160	1.00
53_V	97_V	1.158	1.00
22_I	26_A	1.142	1.00
56_M	111_A	1.140	1.00
23_L	26_A	1.139	1.00
63_L	66_R	1.138	1.00
50_N	95_I	1.137	1.00
98_A	108_I	1.129	1.00
20_E	30_K	1.124	1.00
27_K	31_P	1.110	1.00
44_F	139_V	1.103	1.00
35_I	39_N	1.100	1.00
22_I	25_A	1.098	1.00
20_E	23_L	1.093	1.00
41_L	44_F	1.092	1.00
52_K	94_D	1.085	1.00
55_V	68_F	1.081	1.00
40_E	44_F	1.074	1.00
66_R	69_A	1.069	1.00
19_A	22_I	1.062	1.00
70_M	73_L	1.057	1.00
37_M	40_E	1.054	1.00
19_A	26_A	1.052	1.00
42_E	192_R	1.035	1.00
32_E	142_E	1.006	1.00
64_V	67_A	1.004	1.00
28_A	31_P	0.995	1.00
99_I	125_I	0.989	1.00
13_K	16_Y	0.985	1.00
109_L	113_E	0.980	1.00
96_V	120_A	0.973	1.00
14_T	191_I	0.972	1.00
109_L	132_P	0.971	1.00
143_I	177_T	0.967	1.00
98_A	122_L	0.959	1.00
42_E	48_N	0.959	1.00
56_M	108_I	0.956	1.00
116_K	136_I	0.956	1.00
130_D	135_K	0.952	1.00
43_N	192_R	0.948	1.00
48_N	193_L	0.943	1.00
40_E	139_V	0.941	1.00
27_K	30_K	0.931	1.00
49_R	93_N	0.926	1.00
76_G	84_E	0.926	1.00
66_R	70_M	0.922	1.00
19_A	180_I	0.921	1.00
97_V	125_I	0.917	1.00
17_D	21_F	0.917	1.00
71_R	186_V	0.917	1.00
173_L	176_D	0.912	1.00
28_A	32_E	0.911	1.00
40_E	43_N	0.904	1.00
188_E	191_I	0.898	1.00
49_R	95_I	0.887	1.00
17_D	191_I	0.869	1.00
110_T	113_E	0.862	1.00
37_M	44_F	0.858	1.00
84_E	87_V	0.849	1.00
58_A	84_E	0.841	1.00
81_V	84_E	0.839	1.00
14_T	17_D	0.833	1.00
132_P	136_I	0.830	1.00
52_K	91_G	0.826	1.00
18_I	22_I	0.826	1.00
58_A	105_T	0.824	1.00
64_V	179_Q	0.820	1.00
94_D	120_A	0.818	1.00
19_A	23_L	0.803	1.00
125_I	181_F	0.802	1.00
98_A	115_A	0.788	1.00
21_F	171_G	0.788	1.00
95_I	121_K	0.784	1.00
25_A	177_T	0.783	1.00
12_L	15_M	0.781	1.00
39_N	192_R	0.781	1.00
54_L	94_D	0.777	1.00
39_N	43_N	0.776	1.00
44_F	95_I	0.771	1.00
125_I	182_L	0.766	1.00
145_G	177_T	0.765	1.00
69_A	79_S	0.758	1.00
29_I	177_T	0.757	1.00
68_F	183_D	0.753	1.00
14_T	18_I	0.752	1.00
90_I	96_V	0.748	1.00
16_Y	30_K	0.748	1.00
124_S	131_S	0.739	1.00
80_Y	84_E	0.738	1.00
77_F	80_Y	0.736	1.00
72_L	189_L	0.733	1.00
41_L	139_V	0.729	1.00
36_K	40_E	0.726	1.00
101_G	127_S	0.725	1.00
20_E	27_K	0.721	1.00
22_I	176_D	0.719	1.00
62_G	66_R	0.710	1.00
66_R	71_R	0.707	1.00
37_M	139_V	0.702	1.00
38_V	41_L	0.701	1.00
113_E	117_E	0.700	1.00
18_I	170_L	0.697	1.00
82_L	85_T	0.697	1.00
32_E	144_P	0.697	1.00
11_S	15_M	0.695	1.00
25_A	28_A	0.693	1.00
70_M	74_H	0.686	1.00
14_T	188_E	0.685	1.00
37_M	41_L	0.678	1.00
124_S	134_A	0.677	1.00
127_S	145_G	0.677	1.00
28_A	146_R	0.676	1.00
29_I	32_E	0.675	1.00
132_P	135_K	0.674	1.00
74_H	89_A	0.674	1.00
97_V	185_I	0.673	1.00
100_S	105_T	0.668	1.00
25_A	171_G	0.665	1.00
75_L	78_N	0.659	1.00
82_L	87_V	0.655	1.00
54_L	88_P	0.651	1.00
116_K	122_L	0.649	1.00
61_S	178_T	0.647	1.00
21_F	24_R	0.644	1.00
38_V	42_E	0.644	1.00
53_V	95_I	0.643	1.00
12_L	35_I	0.640	1.00
76_G	82_L	0.640	1.00
12_L	33_Q	0.635	1.00
129_F	144_P	0.635	1.00
77_F	84_E	0.630	1.00
109_L	136_I	0.628	1.00
35_I	38_V	0.623	1.00
187_A	190_M	0.623	1.00
67_A	74_H	0.622	1.00
43_N	49_R	0.621	1.00
127_S	143_I	0.620	1.00
49_R	121_K	0.618	1.00
75_L	84_E	0.616	1.00
92_K	119_G	0.613	1.00
69_A	186_V	0.612	1.00
76_G	83_G	0.610	1.00
21_F	28_A	0.603	1.00
83_G	86_I	0.599	1.00
53_V	77_F	0.598	1.00
40_E	121_K	0.598	1.00
101_G	143_I	0.594	1.00
21_F	147_T	0.594	1.00
45_Y	193_L	0.592	1.00
11_S	14_T	0.589	1.00
61_S	99_I	0.584	1.00
39_N	188_E	0.584	1.00
13_K	17_D	0.582	0.99
76_G	79_S	0.578	0.99
123_I	139_V	0.576	0.99
166_P	173_L	0.574	0.99
186_V	190_M	0.565	0.99
75_L	193_L	0.565	0.99
54_L	90_I	0.564	0.99
37_M	123_I	0.564	0.99
15_M	18_I	0.562	0.99
86_I	110_T	0.560	0.99
69_A	77_F	0.553	0.99
129_F	134_A	0.551	0.99
35_I	188_E	0.550	0.99
123_I	141_I	0.550	0.99
19_A	25_A	0.549	0.99
52_K	76_G	0.548	0.99
68_F	74_H	0.540	0.99
37_M	42_E	0.538	0.99
50_N	94_D	0.538	0.99
42_E	188_E	0.536	0.99
76_G	85_T	0.536	0.99
74_H	88_P	0.532	0.99
137_S	140_V	0.531	0.99
64_V	68_F	0.531	0.99
78_N	81_V	0.528	0.99
80_Y	83_G	0.524	0.99
112_A	136_I	0.521	0.99
110_T	114_A	0.519	0.99
187_A	191_I	0.519	0.99
30_K	34_T	0.514	0.99
109_L	133_L	0.511	0.99
179_Q	183_D	0.509	0.99
104_R	128_Y	0.504	0.99
83_G	87_V	0.501	0.98
43_N	139_V	0.500	0.98
76_G	89_A	0.500	0.98

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
1m3sA	4	0.8852	100	0.332	Contact Map
1vimA	4	0.9091	100	0.353	Contact Map
3fxaA	4	0.89	100	0.371	Contact Map
2xhzA	4	0.8038	100	0.382	Contact Map
3etnA	4	0.8804	100	0.385	Contact Map
4amvA	2	0.9043	100	0.385	Contact Map
2pocA	4	0.866	100	0.393	Contact Map
1moqA	2	0.8804	100	0.397	Contact Map
3tbfA	2	0.8852	100	0.4	Contact Map
1jeoA	4	0.823	100	0.404	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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