GUAC - BACSU - GREMLIN Contacts

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GUAC - GMP reductase

UniProt:	O05269	Sequences: MENVFDYEDIQLIPAKCIVNSRSECDTSVRLGGHTFKLPVVPANMQTIIDEKLAISLAENGYFYVMHRFEPETRIDFIKDMNARGLFSSISVGVKDEEYEFVRQLAEENLTPEYVTIDIAHGHSNAVIEMIQHLKKHLPDSFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAASKPIIADGGIRTHGDIAKSIRFGATMVMIGSLFAGHEESPGQTIEKDGKLYKEYFGSASEFQKGEKKNVEGKKMHVAHKGSIKDTLIEMEQDLQSSISYAGGTKLNAIRNVDYVIVKNSIFNGDKY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	326 (264)
Sequences:	3499 (1265)
Seq/√Len:	77.8

ECOLI - IMDH GUAC
BACSU - GUAC IMDH
HALSA - IMDH

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
304_K	307_A	4.403	1.00
217_A	296_S	3.813	1.00
155_R	159_N	3.350	1.00
225_T	309_R	3.207	1.00
125_N	129_E	3.097	1.00
103_R	107_E	2.994	1.00
89_S	114_Y	2.850	1.00
79_K	87_F	2.808	1.00
229_I	233_F	2.719	1.00
155_R	199_A	2.701	1.00
135_K	143_V	2.587	1.00
148_V	154_V	2.577	1.00
106_A	141_S	2.564	1.00
303_T	307_A	2.495	1.00
307_A	310_N	2.492	1.00
211_R	321_F	2.444	1.00
62_Y	67_H	2.432	1.00
220_I	293_L	2.396	1.00
135_K	163_D	2.325	1.00
57_L	61_G	2.317	1.00
64_Y	67_H	2.287	1.00
158_E	200_A	2.279	1.00
193_L	206_A	2.218	1.00
306_N	309_R	2.196	1.00
129_E	132_Q	2.187	1.00
152_E	312_D	2.176	1.00
62_Y	65_V	2.137	1.00
65_V	68_R	2.111	1.00
103_R	137_H	2.102	1.00
98_E	130_M	2.092	1.00
154_V	196_C	2.067	1.00
64_Y	68_R	2.059	1.00
305_L	309_R	2.059	1.00
102_V	134_L	2.045	1.00
153_A	196_C	2.005	1.00
154_V	158_E	1.967	1.00
102_V	115_V	1.964	1.00
216_I	227_V	1.951	1.00
229_I	232_L	1.940	1.00
151_P	199_A	1.933	1.00
62_Y	68_R	1.915	1.00
54_A	57_L	1.869	1.00
119_I	127_V	1.868	1.00
200_A	204_I	1.864	1.00
120_A	299_Y	1.856	1.00
237_E	278_H	1.853	1.00
148_V	153_A	1.852	1.00
217_A	308_I	1.783	1.00
115_V	141_S	1.750	1.00
148_V	196_C	1.740	1.00
156_E	159_N	1.740	1.00
243_T	250_L	1.716	1.00
237_E	281_S	1.697	1.00
154_V	200_A	1.693	1.00
131_I	145_A	1.684	1.00
194_R	198_K	1.672	1.00
63_F	67_H	1.626	1.00
151_P	198_K	1.608	1.00
60_N	65_V	1.599	1.00
92_V	102_V	1.587	1.00
222_F	313_Y	1.566	0.99
238_E	281_S	1.566	0.99
128_I	132_Q	1.549	0.99
167_V	204_I	1.540	0.99
117_I	145_A	1.526	0.99
232_L	289_M	1.524	0.99
197_A	204_I	1.513	0.99
149_G	185_T	1.485	0.99
60_N	67_H	1.473	0.99
154_V	204_I	1.468	0.99
133_H	137_H	1.466	0.99
114_Y	144_I	1.406	0.99
203_P	225_T	1.405	0.99
60_N	63_F	1.380	0.99
100_E	103_R	1.371	0.99
103_R	138_L	1.369	0.99
164_A	203_P	1.362	0.99
164_A	226_M	1.349	0.98
296_S	308_I	1.337	0.98
158_E	202_K	1.333	0.98
63_F	68_R	1.321	0.98
90_I	110_L	1.302	0.98
99_Y	133_H	1.298	0.98
134_L	143_V	1.272	0.98
97_E	100_E	1.250	0.97
236_H	285_T	1.235	0.97
142_F	164_A	1.234	0.97
60_N	68_R	1.229	0.97
246_K	275_H	1.223	0.97
78_I	81_M	1.216	0.97
144_I	205_I	1.209	0.97
56_S	59_E	1.182	0.96
117_I	127_V	1.182	0.96
128_I	156_E	1.179	0.96
158_E	199_A	1.176	0.96
220_I	309_R	1.173	0.96
302_G	311_V	1.168	0.96
151_P	155_R	1.165	0.96
297_I	305_L	1.158	0.96
149_G	169_I	1.158	0.96
216_I	289_M	1.157	0.96
54_A	61_G	1.153	0.96
225_T	306_N	1.136	0.95
220_I	305_L	1.128	0.95
54_A	62_Y	1.123	0.95
191_A	195_W	1.121	0.95
56_S	60_N	1.117	0.95
110_L	141_S	1.113	0.95
190_L	222_F	1.112	0.95
117_I	131_I	1.111	0.95
123_H	156_E	1.105	0.95
60_N	64_Y	1.103	0.95
233_F	282_I	1.100	0.95
151_P	195_W	1.086	0.94
82_N	87_F	1.084	0.94
308_I	311_V	1.078	0.94
233_F	286_L	1.072	0.94
233_F	320_I	1.065	0.94
196_C	200_A	1.060	0.93
317_K	320_I	1.052	0.93
103_R	106_A	1.046	0.93
154_V	199_A	1.025	0.92
145_A	162_A	1.016	0.92
131_I	143_V	1.015	0.92
302_G	307_A	1.014	0.92
267_K	295_S	1.008	0.92
102_V	138_L	1.002	0.91
165_T	200_A	1.001	0.91
265_E	284_D	0.995	0.91
244_I	275_H	0.994	0.91
70_E	74_R	0.990	0.91
117_I	134_L	0.982	0.90
200_A	321_F	0.980	0.90
99_Y	137_H	0.975	0.90
220_I	308_I	0.974	0.90
143_V	162_A	0.973	0.90
71_P	76_D	0.971	0.90
92_V	98_E	0.968	0.90
179_I	321_F	0.963	0.90
295_S	298_S	0.962	0.90
195_W	198_K	0.961	0.89
92_V	115_V	0.956	0.89
54_A	60_N	0.943	0.89
190_L	311_V	0.940	0.88
196_C	199_A	0.936	0.88
128_I	160_A	0.934	0.88
119_I	126_A	0.919	0.87
184_G	189_Q	0.917	0.87
316_V	321_F	0.902	0.86
76_D	80_D	0.887	0.85
142_F	226_M	0.878	0.85
130_M	133_H	0.877	0.85
71_P	80_D	0.876	0.85
131_I	162_A	0.872	0.84
229_I	289_M	0.866	0.84
61_G	81_M	0.863	0.84
296_S	300_A	0.862	0.84
132_Q	159_N	0.861	0.84
193_L	204_I	0.861	0.84
151_P	154_V	0.858	0.83
94_V	126_A	0.856	0.83
246_K	249_K	0.854	0.83
96_D	100_E	0.854	0.83
154_V	165_T	0.848	0.83
164_A	202_K	0.845	0.82
236_H	282_I	0.838	0.82
95_K	265_E	0.832	0.81
54_A	67_H	0.830	0.81
95_K	98_E	0.825	0.81
67_H	81_M	0.825	0.81
92_V	117_I	0.816	0.80
200_A	225_T	0.809	0.80
58_A	81_M	0.807	0.79
164_A	167_V	0.807	0.79
245_E	250_L	0.806	0.79
56_S	62_Y	0.805	0.79
171_P	189_Q	0.805	0.79
244_I	253_E	0.799	0.79
98_E	102_V	0.795	0.78
281_S	284_D	0.794	0.78
227_V	233_F	0.792	0.78
58_A	61_G	0.792	0.78
54_A	81_M	0.789	0.78
142_F	203_P	0.787	0.78
216_I	293_L	0.776	0.77
102_V	106_A	0.776	0.77
100_E	104_Q	0.773	0.76
148_V	165_T	0.772	0.76
181_T	320_I	0.768	0.76
213_H	289_M	0.768	0.76
276_V	279_K	0.759	0.75
57_L	62_Y	0.757	0.75
221_R	311_V	0.749	0.74
70_E	247_D	0.747	0.74
166_K	171_P	0.746	0.74
282_I	286_L	0.745	0.74
94_V	130_M	0.744	0.74
81_M	85_G	0.744	0.74
163_D	202_K	0.741	0.73
258_A	298_S	0.740	0.73
229_I	282_I	0.739	0.73
135_K	162_A	0.737	0.73
87_F	114_Y	0.732	0.72
69_F	73_T	0.732	0.72
75_I	78_I	0.732	0.72
61_G	67_H	0.729	0.72
217_A	293_L	0.728	0.72
104_Q	107_E	0.719	0.71
144_I	164_A	0.717	0.71
152_E	156_E	0.717	0.71
214_G	218_K	0.716	0.71
99_Y	103_R	0.714	0.71
63_F	66_M	0.713	0.70
267_K	287_I	0.712	0.70
134_L	303_T	0.710	0.70
67_H	78_I	0.708	0.70
129_E	133_H	0.708	0.70
135_K	139_P	0.707	0.70
97_E	130_M	0.707	0.70
318_N	321_F	0.702	0.69
171_P	215_D	0.702	0.69
61_G	65_V	0.700	0.69
151_P	197_A	0.699	0.69
237_E	243_T	0.689	0.68
76_D	81_M	0.686	0.68
155_R	200_A	0.686	0.68
312_D	315_I	0.680	0.67
62_Y	81_M	0.680	0.67
71_P	75_I	0.679	0.67
101_F	104_Q	0.676	0.66
216_I	229_I	0.676	0.66
314_V	318_N	0.676	0.66
86_L	113_E	0.674	0.66
54_A	65_V	0.673	0.66
151_P	196_C	0.673	0.66
123_H	152_E	0.673	0.66
178_K	184_G	0.672	0.66
120_A	181_T	0.672	0.66
56_S	67_H	0.668	0.65
57_L	65_V	0.668	0.65
99_Y	102_V	0.667	0.65
75_I	81_M	0.666	0.65
142_F	305_L	0.665	0.65
127_V	298_S	0.665	0.65
79_K	83_A	0.663	0.65
56_S	81_M	0.663	0.65
243_T	284_D	0.662	0.65
135_K	164_A	0.660	0.65
105_L	110_L	0.653	0.64
58_A	67_H	0.652	0.64
126_A	129_E	0.651	0.63
131_I	160_A	0.650	0.63
171_P	178_K	0.650	0.63
54_A	78_I	0.648	0.63
89_S	92_V	0.646	0.63
198_K	312_D	0.645	0.63
72_E	75_I	0.644	0.63
107_E	132_Q	0.643	0.63
302_G	308_I	0.643	0.63
87_F	226_M	0.637	0.62
94_V	300_A	0.636	0.62
153_A	156_E	0.634	0.61
132_Q	136_K	0.634	0.61
196_C	204_I	0.632	0.61
90_I	105_L	0.632	0.61
96_D	133_H	0.629	0.61
197_A	201_S	0.628	0.61
176_I	213_H	0.627	0.61
254_Y	259_S	0.626	0.60
58_A	86_L	0.623	0.60
81_M	84_R	0.622	0.60
119_I	153_A	0.621	0.60
189_Q	192_A	0.620	0.60
297_I	308_I	0.620	0.60
305_L	310_N	0.620	0.60
171_P	176_I	0.618	0.59
191_A	194_R	0.618	0.59
257_S	260_E	0.617	0.59
162_A	165_T	0.612	0.59
261_F	266_K	0.611	0.59
61_G	82_N	0.609	0.58
136_K	140_D	0.607	0.58
119_I	258_A	0.607	0.58
205_I	228_M	0.606	0.58
57_L	76_D	0.605	0.58
178_K	189_Q	0.604	0.58
57_L	81_M	0.604	0.58
158_E	203_P	0.604	0.58
96_D	99_Y	0.603	0.58
103_R	133_H	0.603	0.58
284_D	287_I	0.602	0.57
61_G	78_I	0.602	0.57
175_C	259_S	0.602	0.57
127_V	258_A	0.601	0.57
57_L	64_Y	0.601	0.57
247_D	275_H	0.600	0.57
174_V	274_M	0.599	0.57
214_G	291_Q	0.599	0.57
104_Q	108_E	0.596	0.57
115_V	119_I	0.592	0.56
172_G	209_G	0.592	0.56
217_A	220_I	0.589	0.56
59_E	62_Y	0.589	0.56
125_N	156_E	0.585	0.55
67_H	75_I	0.585	0.55
131_I	153_A	0.585	0.55
132_Q	160_A	0.584	0.55
202_K	225_T	0.584	0.55
211_R	249_K	0.582	0.55
55_I	64_Y	0.581	0.55
54_A	58_A	0.581	0.55
175_C	209_G	0.581	0.55
302_G	310_N	0.581	0.55
232_L	285_T	0.579	0.55
125_N	128_I	0.578	0.54
300_A	313_Y	0.576	0.54
202_K	224_A	0.575	0.54
69_F	81_M	0.575	0.54
56_S	65_V	0.574	0.54
188_W	291_Q	0.572	0.54
293_L	296_S	0.569	0.53
141_S	163_D	0.567	0.53
211_R	264_G	0.566	0.53
155_R	307_A	0.565	0.53
54_A	59_E	0.565	0.53
137_H	140_D	0.565	0.53
251_Y	300_A	0.564	0.53
315_I	320_I	0.564	0.53
61_G	79_K	0.564	0.53
206_A	225_T	0.564	0.53
56_S	61_G	0.562	0.52
173_K	257_S	0.562	0.52
102_V	141_S	0.560	0.52
181_T	299_Y	0.560	0.52
184_G	209_G	0.560	0.52
171_P	184_G	0.559	0.52
106_A	110_L	0.557	0.52
93_G	102_V	0.556	0.52
174_V	258_A	0.555	0.52
217_A	289_M	0.553	0.51
253_E	275_H	0.553	0.51
55_I	81_M	0.552	0.51
155_R	158_E	0.551	0.51
72_E	247_D	0.551	0.51
194_R	197_A	0.550	0.51
257_S	261_F	0.549	0.51
178_K	270_E	0.548	0.51
183_F	314_V	0.547	0.50
171_P	192_A	0.545	0.50
136_K	198_K	0.545	0.50
278_H	281_S	0.545	0.50
244_I	247_D	0.544	0.50
81_M	86_L	0.541	0.50
57_L	67_H	0.540	0.50
72_E	194_R	0.539	0.49
152_E	159_N	0.536	0.49
170_G	184_G	0.535	0.49
57_L	78_I	0.533	0.49
132_Q	152_E	0.533	0.49
70_E	73_T	0.531	0.48
76_D	79_K	0.531	0.48
176_I	258_A	0.528	0.48
266_K	298_S	0.526	0.48
203_P	226_M	0.525	0.48
117_I	162_A	0.524	0.48
204_I	306_N	0.524	0.48
94_V	124_S	0.519	0.47
185_T	191_A	0.519	0.47
262_Q	285_T	0.519	0.47
234_A	239_S	0.519	0.47
57_L	60_N	0.517	0.47
209_G	259_S	0.517	0.47
217_A	265_E	0.517	0.47
66_M	81_M	0.517	0.47
158_E	204_I	0.516	0.47
241_G	264_G	0.515	0.46
92_V	134_L	0.515	0.46
288_E	291_Q	0.514	0.46
250_L	284_D	0.514	0.46
167_V	176_I	0.507	0.45
58_A	78_I	0.507	0.45
184_G	208_G	0.506	0.45
93_G	97_E	0.506	0.45
137_H	141_S	0.505	0.45
214_G	292_D	0.504	0.45
67_H	71_P	0.504	0.45
94_V	267_K	0.504	0.45
179_I	320_I	0.504	0.45
247_D	250_L	0.503	0.45
133_H	136_K	0.503	0.45
128_I	145_A	0.502	0.45
159_N	198_K	0.501	0.45
120_A	294_Q	0.501	0.45
194_R	315_I	0.501	0.45
118_D	121_H	0.500	0.45
148_V	204_I	0.500	0.45

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
3usbA	4	0.9049	100	0.492	Contact Map
2cu0A	4	0.9663	100	0.503	Contact Map
4zqmA	3	0.9571	100	0.516	Contact Map
4af0A	3	0.9632	100	0.517	Contact Map
1vrdA	3	0.9141	100	0.519	Contact Map
1jcnA	6	0.862	100	0.542	Contact Map
1zfjA	4	0.9785	100	0.549	Contact Map
2c6qA	4	0.9509	100	0.554	Contact Map
1eepA	4	0.9049	100	0.555	Contact Map
1me8A	3	0.9601	100	0.565	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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