Q9HQE3 - HALSA - GREMLIN Contacts

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Q9HQE3 - Fuculose-1-phosphate aldolase

UniProt:	Q9HQE3	Sequences: MLARERVDVVDYAPALSDLTPGRTGNLSVRDGDRFAATPTGVPYDGFDASDVPVVTLDGDVVAGEMTPTSEVPMHTGIYQRLDAGAIVHTHSPWASTLAVLGDELPPIHYMITAVGRRVPVAEYAPYGSDDLAELVVTEMADADSDACILAHHGLVVVGDDLADAVENTIHVEELCKVYLRARRHGDPDTLTDDQLAAVERRFQSYGQGGD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	211 (193)
Sequences:	6322 (3817)
Seq/√Len:	274.8

ECOLI - FUCA SGBE ARAD ULAF YGBL RHAD
BACSU - ARAD MTNB
HALSA - Q9HQE3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
56_T	60_D	4.907	1.00
160_D	164_D	3.216	1.00
177_K	181_R	3.073	1.00
94_W	181_R	3.035	1.00
34_R	54_V	2.897	1.00
5_E	29_V	2.686	1.00
103_D	183_R	2.640	1.00
8_D	163_A	2.539	1.00
35_F	76_T	2.463	1.00
36_A	52_V	2.391	1.00
130_D	134_E	2.212	1.00
84_A	158_V	2.201	1.00
94_W	177_K	2.121	1.00
77_G	134_E	2.118	1.00
31_D	34_R	2.043	1.00
97_T	181_R	2.040	1.00
193_D	197_A	2.024	1.00
192_T	195_Q	2.020	1.00
120_P	145_S	2.011	1.00
93_P	177_K	2.003	1.00
34_R	62_V	1.940	1.00
94_W	180_L	1.912	1.00
36_A	54_V	1.900	1.00
48_D	51_D	1.884	1.00
10_V	49_A	1.881	1.00
147_A	172_V	1.874	1.00
77_G	80_Q	1.855	1.00
7_V	11_D	1.824	1.00
29_V	162_L	1.780	1.00
181_R	184_R	1.771	1.00
88_V	165_A	1.748	1.00
123_E	151_A	1.746	1.00
141_A	144_D	1.674	1.00
55_V	72_V	1.632	1.00
86_A	162_L	1.608	1.00
85_G	161_D	1.594	1.00
161_D	164_D	1.581	1.00
159_G	164_D	1.566	1.00
9_V	27_L	1.566	1.00
12_Y	166_V	1.516	1.00
110_Y	116_G	1.507	1.00
58_D	80_Q	1.506	1.00
124_Y	127_Y	1.496	1.00
17_S	170_I	1.472	1.00
102_G	151_A	1.463	1.00
125_A	135_L	1.440	1.00
155_L	172_V	1.423	1.00
104_E	118_R	1.405	1.00
90_T	169_T	1.383	1.00
29_V	86_A	1.350	1.00
10_V	14_P	1.347	1.00
91_H	153_H	1.345	1.00
106_P	179_Y	1.342	1.00
9_V	52_V	1.316	1.00
7_V	49_A	1.313	1.00
61_V	64_G	1.307	1.00
93_P	97_T	1.304	1.00
157_V	169_T	1.290	1.00
10_V	52_V	1.288	1.00
35_F	57_L	1.260	1.00
28_S	87_I	1.241	1.00
98_L	183_R	1.229	1.00
89_H	153_H	1.215	1.00
30_R	85_G	1.213	1.00
76_T	80_Q	1.207	1.00
96_S	99_A	1.199	1.00
146_D	168_N	1.194	1.00
134_E	138_T	1.188	1.00
180_L	185_H	1.186	1.00
93_P	174_E	1.163	1.00
135_L	138_T	1.154	1.00
28_S	79_Y	1.150	1.00
95_A	155_L	1.143	1.00
105_L	176_C	1.138	1.00
16_L	27_L	1.138	1.00
123_E	138_T	1.133	1.00
42_V	51_D	1.125	1.00
79_Y	87_I	1.122	1.00
195_Q	198_A	1.120	1.00
54_V	63_A	1.116	1.00
150_L	156_V	1.109	1.00
101_L	185_H	1.106	1.00
90_T	155_L	1.105	1.00
37_A	69_T	1.103	1.00
179_Y	183_R	1.098	1.00
94_W	173_E	1.098	1.00
173_E	177_K	1.089	1.00
140_M	158_V	1.085	1.00
12_Y	162_L	1.063	1.00
39_P	42_V	1.060	1.00
110_Y	113_T	1.046	1.00
111_M	114_A	1.039	1.00
180_L	184_R	1.039	1.00
104_E	121_V	1.032	1.00
147_A	157_V	1.031	1.00
102_G	189_D	1.024	1.00
42_V	66_M	1.015	1.00
95_A	172_V	1.002	1.00
174_E	177_K	1.001	1.00
35_F	72_V	0.990	1.00
109_H	112_I	0.989	1.00
111_M	116_G	0.988	1.00
81_R	84_A	0.974	1.00
117_R	197_A	0.974	1.00
140_M	148_C	0.967	1.00
51_D	66_M	0.965	1.00
159_G	168_N	0.954	1.00
105_L	149_I	0.947	1.00
57_L	80_Q	0.947	1.00
16_L	88_V	0.946	1.00
195_Q	199_V	0.944	1.00
131_D	134_E	0.943	1.00
92_S	95_A	0.939	1.00
13_A	27_L	0.935	1.00
39_P	52_V	0.934	1.00
108_I	179_Y	0.931	1.00
78_I	140_M	0.924	1.00
155_L	169_T	0.921	1.00
136_V	150_L	0.919	1.00
74_M	136_V	0.913	1.00
17_S	166_V	0.910	1.00
119_V	172_V	0.909	1.00
194_D	198_A	0.906	1.00
189_D	192_T	0.905	1.00
123_E	135_L	0.904	1.00
56_T	62_V	0.903	1.00
47_F	51_D	0.901	1.00
12_Y	27_L	0.889	1.00
53_P	67_T	0.888	1.00
93_P	181_R	0.887	1.00
122_A	135_L	0.883	1.00
97_T	180_L	0.882	1.00
15_A	166_V	0.878	1.00
92_S	169_T	0.877	1.00
74_M	156_V	0.877	1.00
10_V	47_F	0.875	1.00
88_V	169_T	0.873	1.00
8_D	11_D	0.865	1.00
37_A	71_E	0.862	1.00
6_R	36_A	0.861	1.00
51_D	65_E	0.854	1.00
8_D	29_V	0.854	1.00
81_R	158_V	0.846	1.00
78_I	84_A	0.841	1.00
151_A	189_D	0.840	1.00
77_G	137_V	0.822	0.99
30_R	33_D	0.820	0.99
16_L	166_V	0.814	0.99
92_S	173_E	0.786	0.99
164_D	168_N	0.782	0.99
122_A	139_E	0.778	0.99
35_F	55_V	0.777	0.99
120_P	148_C	0.775	0.99
40_T	67_T	0.770	0.99
38_T	47_F	0.769	0.99
46_G	163_A	0.768	0.99
30_R	57_L	0.767	0.99
42_V	47_F	0.766	0.99
38_T	79_Y	0.766	0.99
104_E	120_P	0.763	0.99
118_R	145_S	0.759	0.99
139_E	148_C	0.757	0.99
196_L	199_V	0.748	0.99
11_D	46_G	0.747	0.99
98_L	179_Y	0.740	0.99
122_A	150_L	0.739	0.99
117_R	193_D	0.726	0.99
33_D	57_L	0.725	0.99
85_G	160_D	0.722	0.99
114_A	171_H	0.721	0.99
112_I	116_G	0.716	0.99
25_G	44_Y	0.712	0.98
114_A	168_N	0.709	0.98
28_S	37_A	0.708	0.98
21_P	174_E	0.706	0.98
100_V	108_I	0.706	0.98
72_V	76_T	0.705	0.98
9_V	36_A	0.702	0.98
6_R	63_A	0.697	0.98
191_L	195_Q	0.696	0.98
192_T	198_A	0.693	0.98
26_N	69_T	0.691	0.98
190_T	193_D	0.683	0.98
73_P	130_D	0.679	0.98
131_D	135_L	0.678	0.98
5_E	8_D	0.674	0.98
96_S	178_V	0.674	0.98
188_P	191_L	0.666	0.98
188_P	195_Q	0.666	0.98
110_Y	115_V	0.665	0.98
31_D	54_V	0.662	0.98
164_D	167_E	0.658	0.97
172_V	176_C	0.658	0.97
138_T	141_A	0.657	0.97
182_A	186_G	0.656	0.97
13_A	44_Y	0.654	0.97
46_G	51_D	0.654	0.97
105_L	175_L	0.653	0.97
81_R	141_A	0.653	0.97
101_L	182_A	0.652	0.97
71_E	132_L	0.651	0.97
23_R	40_T	0.650	0.97
152_H	189_D	0.649	0.97
34_R	57_L	0.646	0.97
81_R	140_M	0.644	0.97
193_D	196_L	0.644	0.97
99_A	149_I	0.643	0.97
126_P	198_A	0.643	0.97
21_P	24_T	0.639	0.97
9_V	13_A	0.639	0.97
22_G	167_E	0.638	0.97
157_V	168_N	0.636	0.97
80_Q	137_V	0.634	0.97
43_P	46_G	0.630	0.97
183_R	187_D	0.629	0.97
98_L	180_L	0.627	0.97
30_R	35_F	0.622	0.96
97_T	178_V	0.619	0.96
86_A	165_A	0.619	0.96
59_G	76_T	0.618	0.96
124_Y	150_L	0.617	0.96
98_L	176_C	0.616	0.96
137_V	140_M	0.616	0.96
77_G	130_D	0.615	0.96
101_L	180_L	0.613	0.96
146_D	164_D	0.613	0.96
137_V	141_A	0.610	0.96
57_L	76_T	0.609	0.96
26_N	71_E	0.609	0.96
40_T	69_T	0.607	0.96
94_W	97_T	0.605	0.96
106_P	190_T	0.605	0.96
92_S	155_L	0.605	0.96
194_D	197_A	0.604	0.96
103_D	187_D	0.600	0.96
6_R	49_A	0.590	0.95
135_L	139_E	0.589	0.95
187_D	196_L	0.588	0.95
73_P	77_G	0.588	0.95
54_V	62_V	0.588	0.95
148_C	156_V	0.587	0.95
24_T	174_E	0.586	0.95
95_A	176_C	0.585	0.95
18_D	177_K	0.582	0.95
83_D	160_D	0.582	0.95
188_P	192_T	0.579	0.95
109_H	113_T	0.577	0.95
98_L	103_D	0.574	0.94
78_I	156_V	0.570	0.94
96_S	109_H	0.567	0.94
183_R	186_G	0.567	0.94
95_A	169_T	0.566	0.94
108_I	183_R	0.565	0.94
119_V	147_A	0.564	0.94
96_S	154_G	0.564	0.94
149_I	155_L	0.563	0.94
122_A	125_A	0.559	0.94
13_A	38_T	0.558	0.94
15_A	22_G	0.558	0.94
6_R	52_V	0.558	0.94
121_V	151_A	0.555	0.93
182_A	188_P	0.551	0.93
103_D	106_P	0.551	0.93
9_V	29_V	0.548	0.93
38_T	52_V	0.544	0.93
78_I	87_I	0.544	0.93
5_E	36_A	0.541	0.93
79_Y	86_A	0.538	0.92
20_T	27_L	0.538	0.92
114_A	167_E	0.536	0.92
40_T	70_S	0.535	0.92
167_E	174_E	0.530	0.92
61_V	67_T	0.529	0.92
88_V	157_V	0.528	0.92
26_N	38_T	0.527	0.92
13_A	47_F	0.526	0.92
185_H	188_P	0.524	0.91
146_D	160_D	0.523	0.91
16_L	19_L	0.521	0.91
26_N	40_T	0.521	0.91
47_F	52_V	0.519	0.91
110_Y	114_A	0.518	0.91
29_V	52_V	0.515	0.91
49_A	52_V	0.510	0.90
8_D	162_L	0.509	0.90
146_D	158_V	0.509	0.90
189_D	193_D	0.508	0.90
144_D	196_L	0.508	0.90
188_P	196_L	0.504	0.90
187_D	191_L	0.500	0.89

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
4c24A	3	0.9573	100	0.14	Contact Map
1e4cP	3	0.9479	100	0.149	Contact Map
1k0wA	3	0.9479	100	0.184	Contact Map
2opiA	3	0.9336	100	0.195	Contact Map
3ocrA	4	0.981	100	0.201	Contact Map
2fk5A	4	0.8815	100	0.215	Contact Map
2z7bA	3	0.9763	100	0.224	Contact Map
4xxfA	3	0.9431	100	0.232	Contact Map
2v9lA	3	0.9763	100	0.243	Contact Map
4m6rA	3	0.9384	100	0.244	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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