DHPS - BACSU - GREMLIN Contacts

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DHPS - Dihydropteroate synthase

UniProt:	P28822	Sequences: MAQHTIDQTQVIHTKPSALSYKEKTLVMGILNVTPDSFSDGGKYDSLDKALLHAKEMIDDGAHIIDIGGESTRPGAECVSEDEEMSRVIPVIERITKELGVPISVDTYKASVADEAVKAGASIINDIWGAKHDPKMASVAAEHNVPIVLMHNRPERNYNDLLPDMLSDLMESVKIAVEAGVDEKNIILDPGIGFAKTYHDNLAVMNKLEIFSGLGYPVLLATSRKRFIGRVLDLPPEERAEGTGATVCLGIQKGCDIVRVHDVKQIARMAKMMDAMLNKGGVHHG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	285 (255)
Sequences:	4512 (3155)
Seq/√Len:	197.6

ECOLI - DHPS
BACSU - DHPS
HALSA - FOLCP Q9HQ38

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_E	60_D	2.961	1.00
117_V	145_V	2.920	1.00
207_K	210_I	2.861	1.00
267_A	271_K	2.855	1.00
81_E	111_S	2.781	1.00
69_G	88_V	2.729	1.00
222_T	246_T	2.715	1.00
228_I	242_G	2.658	1.00
96_T	122_S	2.579	1.00
58_I	101_V	2.548	1.00
209_E	253_K	2.538	1.00
114_D	142_E	2.425	1.00
177_V	183_E	2.399	1.00
117_V	143_H	2.358	1.00
82_D	86_S	2.211	1.00
234_L	268_R	2.199	1.00
241_E	268_R	2.170	1.00
172_S	175_I	2.167	1.00
124_I	140_A	2.085	1.00
229_G	239_R	2.070	1.00
105_V	116_A	2.012	1.00
135_K	138_S	1.988	1.00
27_V	267_A	1.968	1.00
220_L	250_G	1.967	1.00
55_K	98_E	1.966	1.00
85_M	89_I	1.948	1.00
173_V	216_Y	1.934	1.00
53_H	56_E	1.876	1.00
226_R	230_R	1.873	1.00
240_A	265_Q	1.845	1.00
29_G	57_M	1.837	1.00
139_V	143_H	1.804	1.00
247_V	266_I	1.792	1.00
244_G	269_M	1.757	1.00
110_A	133_D	1.733	1.00
248_C	273_M	1.730	1.00
240_A	262_D	1.721	1.00
83_E	86_S	1.712	1.00
60_D	264_K	1.706	1.00
54_A	95_I	1.699	1.00
44_Y	53_H	1.694	1.00
249_L	252_Q	1.691	1.00
123_I	148_V	1.662	1.00
114_D	118_K	1.654	1.00
174_K	178_E	1.646	1.00
26_L	63_H	1.623	1.00
243_T	247_V	1.615	1.00
70_E	109_K	1.615	1.00
115_E	118_K	1.608	1.00
212_S	256_D	1.597	1.00
251_I	270_A	1.594	1.00
72_T	127_I	1.593	1.00
130_A	147_I	1.586	1.00
165_M	204_V	1.586	1.00
85_M	115_E	1.581	1.00
31_L	57_M	1.577	1.00
113_A	136_M	1.530	1.00
24_K	63_H	1.527	1.00
80_S	83_E	1.527	1.00
156_R	200_D	1.522	1.00
203_A	207_K	1.521	1.00
43_K	237_E	1.513	1.00
240_A	244_G	1.501	1.00
187_I	257_I	1.477	1.00
85_M	112_V	1.448	1.00
235_P	238_E	1.433	1.00
107_T	113_A	1.425	1.00
55_K	99_L	1.413	1.00
46_S	49_K	1.401	1.00
50_A	91_V	1.401	1.00
118_K	143_H	1.381	1.00
111_S	115_E	1.375	1.00
192_I	222_T	1.375	1.00
28_M	219_L	1.365	1.00
117_V	139_V	1.358	1.00
55_K	59_D	1.353	1.00
153_R	195_A	1.335	1.00
176_A	181_V	1.322	1.00
94_R	98_E	1.313	1.00
198_Y	227_F	1.299	1.00
160_D	163_P	1.298	1.00
138_S	179_A	1.295	1.00
52_L	55_K	1.281	1.00
231_V	272_M	1.274	1.00
208_L	220_L	1.263	1.00
88_V	105_V	1.262	1.00
243_T	266_I	1.257	1.00
48_D	52_L	1.249	1.00
92_I	116_A	1.222	1.00
198_Y	231_V	1.219	1.00
247_V	258_V	1.207	1.00
51_L	55_K	1.203	1.00
166_L	210_I	1.202	1.00
197_T	200_D	1.198	1.00
183_E	216_Y	1.197	1.00
174_K	177_V	1.188	1.00
114_D	143_H	1.187	1.00
67_I	95_I	1.183	1.00
25_T	274_D	1.177	1.00
249_L	276_M	1.170	1.00
212_S	218_V	1.166	1.00
63_H	267_A	1.166	1.00
182_D	185_N	1.164	1.00
128_W	132_H	1.150	1.00
202_L	231_V	1.141	1.00
138_S	142_E	1.132	1.00
54_A	65_I	1.128	1.00
241_E	244_G	1.118	1.00
244_G	266_I	1.117	1.00
165_M	169_L	1.117	1.00
129_G	149_L	1.113	1.00
153_R	156_R	1.101	1.00
248_C	269_M	1.095	1.00
51_L	94_R	1.083	1.00
173_V	188_L	1.079	1.00
40_D	44_Y	1.077	1.00
31_L	65_I	1.076	1.00
144_N	185_N	1.069	1.00
109_K	112_V	1.065	1.00
158_Y	164_D	1.062	1.00
146_P	187_I	1.061	1.00
251_I	258_V	1.061	1.00
166_L	211_F	1.055	1.00
166_L	213_G	1.050	1.00
130_A	137_A	1.049	1.00
92_I	119_A	1.040	1.00
188_L	216_Y	1.038	1.00
49_K	52_L	1.035	1.00
93_E	119_A	1.031	1.00
234_L	238_E	1.031	1.00
81_E	85_M	1.026	1.00
81_E	109_K	1.013	1.00
51_L	54_A	1.009	1.00
110_A	139_V	1.009	1.00
24_K	274_D	1.006	1.00
220_L	255_C	1.002	1.00
222_T	247_V	0.999	1.00
36_D	73_R	0.997	1.00
96_T	103_I	0.997	1.00
252_Q	273_M	0.987	1.00
137_A	175_I	0.986	1.00
146_P	185_N	0.984	1.00
70_E	108_Y	0.978	0.99
166_L	214_L	0.977	0.99
114_D	139_V	0.971	0.99
54_A	99_L	0.971	0.99
156_R	195_A	0.965	0.99
153_R	168_D	0.959	0.99
93_E	97_K	0.956	0.99
173_V	186_I	0.955	0.99
166_L	170_M	0.953	0.99
108_Y	128_W	0.949	0.99
25_T	258_V	0.949	0.99
249_L	253_K	0.948	0.99
210_I	213_G	0.947	0.99
221_A	257_I	0.946	0.99
163_P	167_S	0.944	0.99
64_I	257_I	0.942	0.99
198_Y	230_R	0.940	0.99
27_V	270_A	0.940	0.99
64_I	123_I	0.937	0.99
94_R	97_K	0.930	0.99
248_C	252_Q	0.920	0.99
128_W	133_D	0.918	0.99
93_E	118_K	0.915	0.99
53_H	57_M	0.896	0.99
41_G	44_Y	0.889	0.99
132_H	168_D	0.889	0.99
58_I	99_L	0.886	0.99
51_L	91_V	0.882	0.99
102_P	122_S	0.880	0.99
67_I	103_I	0.875	0.99
202_L	275_A	0.863	0.99
192_I	220_L	0.862	0.99
186_I	216_Y	0.857	0.99
244_G	248_C	0.855	0.99
250_G	255_C	0.852	0.99
133_D	136_M	0.851	0.99
173_V	177_V	0.846	0.99
153_R	200_D	0.844	0.98
192_I	227_F	0.843	0.98
62_A	263_V	0.842	0.98
60_D	265_Q	0.837	0.98
103_I	121_A	0.837	0.98
203_A	206_N	0.836	0.98
105_V	121_A	0.835	0.98
192_I	208_L	0.831	0.98
162_L	204_V	0.830	0.98
188_L	218_V	0.827	0.98
241_E	245_A	0.826	0.98
252_Q	277_L	0.825	0.98
39_S	240_A	0.823	0.98
56_E	59_D	0.823	0.98
161_L	165_M	0.820	0.98
224_R	262_D	0.819	0.98
111_S	114_D	0.815	0.98
266_I	269_M	0.812	0.98
162_L	165_M	0.808	0.98
245_A	248_C	0.807	0.98
269_M	273_M	0.802	0.98
132_H	152_N	0.801	0.98
162_L	207_K	0.800	0.98
79_V	109_K	0.800	0.98
173_V	214_L	0.799	0.98
202_L	227_F	0.797	0.98
262_D	265_Q	0.794	0.98
140_A	147_I	0.792	0.98
33_V	69_G	0.791	0.98
248_C	270_A	0.790	0.98
169_L	188_L	0.788	0.98
149_L	176_A	0.786	0.98
89_I	115_E	0.783	0.98
200_D	203_A	0.777	0.97
188_L	214_L	0.777	0.97
114_D	135_K	0.766	0.97
141_A	179_A	0.753	0.97
52_L	56_E	0.753	0.97
47_L	94_R	0.752	0.97
89_I	119_A	0.750	0.97
156_R	197_T	0.748	0.97
70_E	78_C	0.746	0.97
31_L	53_H	0.745	0.97
151_H	196_K	0.743	0.97
170_M	214_L	0.739	0.97
29_G	263_V	0.738	0.96
198_Y	201_N	0.737	0.96
144_N	182_D	0.736	0.96
163_P	210_I	0.735	0.96
202_L	272_M	0.734	0.96
159_N	164_D	0.732	0.96
95_I	103_I	0.730	0.96
206_N	277_L	0.730	0.96
241_E	265_Q	0.730	0.96
251_I	273_M	0.725	0.96
208_L	250_G	0.724	0.96
176_A	179_A	0.723	0.96
25_T	251_I	0.723	0.96
110_A	135_K	0.722	0.96
57_M	62_A	0.717	0.96
273_M	277_L	0.716	0.96
177_V	216_Y	0.716	0.96
205_M	227_F	0.714	0.96
181_V	185_N	0.714	0.96
28_M	257_I	0.712	0.96
85_M	116_A	0.708	0.96
141_A	181_V	0.705	0.95
115_E	119_A	0.704	0.95
33_V	91_V	0.703	0.95
175_I	179_A	0.702	0.95
40_D	43_K	0.702	0.95
111_S	135_K	0.701	0.95
55_K	58_I	0.699	0.95
129_G	172_S	0.696	0.95
95_I	99_L	0.691	0.95
137_A	176_A	0.685	0.95
147_I	186_I	0.683	0.95
205_M	222_T	0.682	0.95
243_T	260_V	0.680	0.94
229_G	232_L	0.679	0.94
231_V	275_A	0.676	0.94
192_I	205_M	0.676	0.94
80_S	86_S	0.675	0.94
127_I	152_N	0.674	0.94
89_I	93_E	0.670	0.94
85_M	111_S	0.667	0.94
198_Y	202_L	0.663	0.94
247_V	270_A	0.662	0.94
62_A	65_I	0.660	0.94
161_L	204_V	0.659	0.94
153_R	164_D	0.654	0.93
268_R	272_M	0.653	0.93
130_A	176_A	0.651	0.93
63_H	102_P	0.648	0.93
51_L	98_E	0.645	0.93
92_I	96_T	0.644	0.93
264_K	268_R	0.644	0.93
39_S	42_G	0.642	0.93
89_I	116_A	0.639	0.92
228_I	272_M	0.638	0.92
90_P	93_E	0.637	0.92
246_T	272_M	0.635	0.92
226_R	240_A	0.634	0.92
69_G	92_I	0.631	0.92
88_V	92_I	0.630	0.92
110_A	128_W	0.628	0.92
82_D	111_S	0.627	0.92
146_P	217_P	0.626	0.92
89_I	92_I	0.625	0.92
242_G	268_R	0.625	0.92
208_L	255_C	0.624	0.92
171_E	175_I	0.621	0.91
205_M	220_L	0.621	0.91
45_D	49_K	0.621	0.91
169_L	173_V	0.619	0.91
234_L	264_K	0.619	0.91
66_D	104_S	0.616	0.91
202_L	276_M	0.616	0.91
170_M	213_G	0.614	0.91
141_A	176_A	0.612	0.91
249_L	273_M	0.609	0.91
57_M	65_I	0.605	0.90
27_V	263_V	0.605	0.90
270_A	274_D	0.600	0.90
166_L	188_L	0.597	0.90
39_S	224_R	0.597	0.90
51_L	99_L	0.597	0.90
244_G	247_V	0.596	0.90
130_A	140_A	0.594	0.89
78_C	132_H	0.591	0.89
158_Y	200_D	0.587	0.89
21_Y	26_L	0.586	0.89
123_I	146_P	0.582	0.89
229_G	236_P	0.582	0.89
171_E	174_K	0.579	0.88
205_M	246_T	0.578	0.88
164_D	167_S	0.578	0.88
57_M	263_V	0.577	0.88
117_V	124_I	0.576	0.88
136_M	147_I	0.575	0.88
31_L	44_Y	0.574	0.88
271_K	274_D	0.569	0.87
247_V	260_V	0.567	0.87
35_P	87_R	0.566	0.87
137_A	141_A	0.566	0.87
167_S	170_M	0.559	0.86
137_A	179_A	0.558	0.86
232_L	268_R	0.556	0.86
151_H	158_Y	0.555	0.86
130_A	149_L	0.554	0.86
123_I	187_I	0.552	0.86
76_A	154_P	0.551	0.86
266_I	270_A	0.550	0.86
108_Y	127_I	0.549	0.85
160_D	207_K	0.548	0.85
137_A	172_S	0.548	0.85
137_A	147_I	0.545	0.85
153_R	158_Y	0.545	0.85
209_E	212_S	0.544	0.85
67_I	92_I	0.543	0.85
72_T	152_N	0.543	0.85
167_S	171_E	0.542	0.85
150_M	191_G	0.540	0.85
160_D	164_D	0.538	0.84
128_W	152_N	0.536	0.84
109_K	133_D	0.535	0.84
162_L	203_A	0.534	0.84
51_L	95_I	0.534	0.84
47_L	91_V	0.533	0.84
176_A	186_I	0.532	0.84
140_A	181_V	0.529	0.83
47_L	51_L	0.529	0.83
39_S	44_Y	0.528	0.83
228_I	246_T	0.528	0.83
76_A	79_V	0.528	0.83
163_P	166_L	0.527	0.83
58_I	102_P	0.526	0.83
136_M	139_V	0.526	0.83
33_V	88_V	0.524	0.83
28_M	64_I	0.524	0.83
170_M	173_V	0.523	0.83
92_I	103_I	0.518	0.82
168_D	172_S	0.515	0.82
248_C	277_L	0.515	0.82
161_L	200_D	0.513	0.81
208_L	212_S	0.513	0.81
44_Y	50_A	0.510	0.81
128_W	154_P	0.510	0.81
47_L	50_A	0.509	0.81
130_A	136_M	0.507	0.81
152_N	172_S	0.506	0.81
113_A	124_I	0.505	0.80
84_E	109_K	0.505	0.80
73_R	76_A	0.504	0.80
162_L	210_I	0.504	0.80
54_A	58_I	0.504	0.80
157_N	200_D	0.504	0.80
42_G	53_H	0.503	0.80
35_P	83_E	0.502	0.80
170_M	174_K	0.501	0.80
110_A	136_M	0.501	0.80
70_E	79_V	0.500	0.80
129_G	168_D	0.500	0.80

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
2bmbA	1	0.9789	100	0.165	Contact Map
2vefA	1	0.8632	100	0.183	Contact Map
2vp8A	2	0.8105	100	0.187	Contact Map
4nirA	3	0.9614	100	0.203	Contact Map
2dqwA	2	0.8632	100	0.214	Contact Map
3tr9A	3	0.9333	100	0.223	Contact Map
1eyeA	2	0.8491	100	0.225	Contact Map
2y5sA	2	0.9333	100	0.226	Contact Map
4pzvA	1	0.8702	100	0.235	Contact Map
1aj0A	1	0.9579	100	0.236	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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