KDAD - SULSO - GREMLIN Contacts

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KDAD - 2-dehydro-3-deoxy-D-arabinonate dehydratase

UniProt:	Q97UA0	Sequences: MHFIMMKLFRVVKRGYYISYAILDNSTIIRLDEDPIKALMRYSENKEVLGDRVTGIDYQSLLKSFQINDIRITKPIDPPEVWGSGISYEMARERYSEENVAKILGKTIYEKVYDAVRPEIFFKATPNRCVGHGEAIAVRSDSEWTLPEPELAVVLDSNGKILGYTIMDDVSARDLEAENPLYLPQSKIYAGCCAFGPVIVTSDEIKNPYSLDITLKIVREGRVFFEGSVNTNKMRRKIEEQIQYLIRDNPIPDGTILTTGTAIVPGRDKGLKDEDIVEITISNIGTLITPVKKRRKIT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	298 (265)
Sequences:	6307 (4590)
Seq/√Len:	281.9

ECOLI - YCGM
BACSU - YISK
HALSA - Q9HQR6
SULSO - KDAD Q97VT9 Q97V63 Q97UR1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
167_M	258_T	3.650	1.00
218_V	275_D	3.643	1.00
212_D	228_S	3.581	1.00
278_E	288_I	3.572	1.00
280_T	286_T	3.307	1.00
152_A	167_M	3.110	1.00
278_E	286_T	3.017	1.00
135_A	290_P	2.721	1.00
214_T	280_T	2.664	1.00
237_K	240_E	2.649	1.00
212_D	282_S	2.498	1.00
190_A	250_P	2.372	1.00
149_P	215_L	2.317	1.00
276_I	288_I	2.270	1.00
195_F	256_I	2.216	1.00
216_K	278_E	2.206	1.00
214_T	228_S	2.199	1.00
164_Y	202_S	2.132	1.00
152_A	165_T	2.071	1.00
158_N	252_P	2.056	1.00
12_V	71_R	2.037	1.00
229_V	233_K	2.004	1.00
12_V	73_T	1.984	1.00
149_P	279_I	1.961	1.00
84_S	120_I	1.914	1.00
216_K	280_T	1.901	1.00
149_P	213_I	1.900	1.00
158_N	253_D	1.880	1.00
166_I	281_I	1.880	1.00
212_D	230_N	1.833	1.00
135_A	292_K	1.807	1.00
217_I	271_L	1.778	1.00
36_I	43_S	1.771	1.00
120_I	245_L	1.770	1.00
35_P	38_A	1.765	1.00
90_M	233_K	1.743	1.00
167_M	193_C	1.742	1.00
127_N	252_P	1.712	1.00
138_V	145_T	1.707	1.00
153_V	238_I	1.688	1.00
27_T	64_S	1.681	1.00
175_L	189_Y	1.681	1.00
155_L	242_I	1.679	1.00
152_A	258_T	1.677	1.00
66_Q	69_D	1.653	1.00
205_I	211_L	1.636	1.00
162_L	199_I	1.635	1.00
220_E	269_K	1.613	1.00
136_I	277_V	1.589	1.00
151_L	281_I	1.560	1.00
210_S	232_N	1.550	1.00
28_I	70_I	1.547	1.00
130_V	134_E	1.540	1.00
36_I	39_L	1.529	1.00
265_P	269_K	1.518	1.00
160_K	190_A	1.516	1.00
209_Y	239_E	1.489	1.00
71_R	134_E	1.488	1.00
89_E	93_E	1.486	1.00
165_T	195_F	1.485	1.00
273_D	292_K	1.485	1.00
152_A	256_I	1.479	1.00
276_I	290_P	1.475	1.00
122_F	125_T	1.463	1.00
39_L	43_S	1.451	1.00
142_S	174_D	1.443	1.00
265_P	268_D	1.430	1.00
131_G	134_E	1.422	1.00
13_K	16_Y	1.414	1.00
137_A	191_G	1.391	1.00
154_V	199_I	1.378	1.00
209_Y	237_K	1.376	1.00
136_I	170_V	1.371	1.00
79_P	252_P	1.371	1.00
207_N	210_S	1.365	1.00
11_V	20_Y	1.363	1.00
143_E	174_D	1.360	1.00
125_T	188_I	1.359	1.00
128_R	193_C	1.346	1.00
193_C	258_T	1.345	1.00
122_F	184_P	1.338	1.00
84_S	245_L	1.324	1.00
262_A	267_R	1.314	1.00
40_M	43_S	1.310	1.00
81_V	193_C	1.301	1.00
39_L	42_Y	1.289	1.00
89_E	115_A	1.273	1.00
144_W	174_D	1.259	1.00
142_S	145_T	1.254	1.00
35_P	43_S	1.248	1.00
11_V	21_A	1.247	1.00
9_F	28_I	1.242	1.00
10_R	77_D	1.239	1.00
206_K	283_N	1.217	1.00
128_R	250_P	1.211	1.00
145_T	291_V	1.200	1.00
153_V	257_L	1.192	1.00
21_A	28_I	1.189	1.00
216_K	286_T	1.183	1.00
19_S	30_R	1.181	1.00
161_I	238_I	1.180	1.00
211_L	281_I	1.178	1.00
36_I	42_Y	1.170	1.00
165_T	284_I	1.165	1.00
263_I	270_G	1.164	1.00
137_A	292_K	1.163	1.00
51_D	54_T	1.159	1.00
201_T	204_E	1.154	1.00
200_V	284_I	1.142	1.00
37_K	41_R	1.134	1.00
158_N	250_P	1.119	1.00
170_V	194_A	1.119	1.00
9_F	72_I	1.116	1.00
43_S	46_K	1.113	1.00
9_F	22_I	1.111	1.00
38_A	41_R	1.110	1.00
168_D	289_T	1.089	1.00
74_K	129_C	1.086	1.00
262_A	265_P	1.082	1.00
243_Q	247_R	1.076	1.00
209_Y	234_M	1.063	1.00
184_P	188_I	1.060	1.00
167_M	195_F	1.055	1.00
215_L	279_I	1.051	1.00
151_L	231_T	1.049	1.00
133_G	287_L	1.045	1.00
24_D	27_T	1.039	1.00
9_F	198_V	1.039	1.00
84_S	241_Q	1.031	1.00
56_I	59_Q	1.028	1.00
43_S	47_E	1.028	1.00
42_Y	45_N	1.027	1.00
154_V	165_T	1.013	1.00
156_D	162_L	1.006	1.00
86_I	95_Y	0.999	1.00
152_A	195_F	0.995	1.00
72_I	132_H	0.993	1.00
138_V	291_V	0.990	1.00
118_P	241_Q	0.988	1.00
27_T	66_Q	0.987	1.00
160_K	250_P	0.986	1.00
153_V	242_I	0.970	1.00
114_D	235_R	0.969	1.00
80_E	125_T	0.967	1.00
46_K	50_G	0.967	1.00
87_S	241_Q	0.958	1.00
36_I	40_M	0.958	1.00
75_P	165_T	0.942	1.00
65_F	70_I	0.936	1.00
11_V	70_I	0.935	1.00
51_D	55_G	0.930	1.00
133_G	288_I	0.920	1.00
166_I	279_I	0.917	1.00
28_I	67_I	0.909	1.00
29_I	64_S	0.907	1.00
198_V	284_I	0.906	1.00
39_L	46_K	0.906	1.00
144_W	270_G	0.901	1.00
130_V	191_G	0.900	1.00
214_T	282_S	0.898	1.00
138_V	273_D	0.890	1.00
9_F	23_L	0.888	1.00
23_L	198_V	0.886	1.00
174_D	178_E	0.885	1.00
154_V	256_I	0.885	1.00
67_I	72_I	0.883	1.00
129_C	195_F	0.881	1.00
37_K	40_M	0.881	1.00
136_I	291_V	0.880	1.00
82_W	249_N	0.877	1.00
19_S	23_L	0.873	1.00
240_E	243_Q	0.872	1.00
119_E	183_L	0.864	1.00
46_K	49_L	0.863	1.00
45_N	49_L	0.862	1.00
18_I	73_T	0.860	1.00
83_G	128_R	0.859	1.00
18_I	30_R	0.859	1.00
216_K	219_R	0.857	1.00
34_D	38_A	0.856	1.00
212_D	232_N	0.855	1.00
38_A	43_S	0.855	1.00
145_T	192_C	0.853	1.00
41_R	44_E	0.846	1.00
11_V	28_I	0.844	1.00
171_S	176_E	0.843	1.00
262_A	268_D	0.838	1.00
12_V	17_Y	0.837	1.00
88_Y	231_T	0.836	1.00
234_M	241_Q	0.835	1.00
74_K	132_H	0.834	1.00
82_W	122_F	0.827	1.00
144_W	178_E	0.825	1.00
251_I	257_L	0.824	1.00
217_I	277_V	0.823	1.00
49_L	52_R	0.822	1.00
47_E	50_G	0.820	1.00
146_L	173_R	0.818	0.99
98_E	114_D	0.816	0.99
153_V	164_Y	0.814	0.99
168_D	277_V	0.810	0.99
83_G	258_T	0.809	0.99
76_I	154_V	0.807	0.99
45_N	48_V	0.806	0.99
166_I	284_I	0.804	0.99
136_I	192_C	0.802	0.99
80_E	190_A	0.802	0.99
136_I	191_G	0.800	0.99
179_N	248_D	0.799	0.99
80_E	122_F	0.797	0.99
184_P	189_Y	0.793	0.99
35_P	40_M	0.792	0.99
59_Q	63_K	0.790	0.99
8_L	201_T	0.790	0.99
161_I	242_I	0.788	0.99
139_R	192_C	0.788	0.99
57_D	61_L	0.785	0.99
35_P	42_Y	0.777	0.99
35_P	39_L	0.776	0.99
179_N	185_Q	0.775	0.99
44_E	47_E	0.773	0.99
118_P	244_Y	0.772	0.99
92_R	114_D	0.772	0.99
164_Y	208_P	0.763	0.99
263_I	268_D	0.762	0.99
95_Y	171_S	0.759	0.99
163_G	199_I	0.754	0.99
88_Y	259_T	0.754	0.99
116_V	236_R	0.753	0.99
172_A	192_C	0.753	0.99
132_H	287_L	0.753	0.99
47_E	51_D	0.752	0.99
206_K	209_Y	0.750	0.99
117_R	178_E	0.747	0.99
83_G	186_S	0.744	0.99
127_N	190_A	0.740	0.99
66_Q	70_I	0.732	0.99
40_M	162_L	0.731	0.99
57_D	60_S	0.728	0.99
6_M	201_T	0.728	0.99
161_I	239_E	0.725	0.99
236_R	240_E	0.725	0.99
60_S	64_S	0.725	0.99
89_E	114_D	0.724	0.99
23_L	67_I	0.721	0.99
82_W	245_L	0.718	0.99
210_S	230_N	0.718	0.99
147_P	271_L	0.713	0.99
7_K	198_V	0.712	0.99
262_A	266_G	0.711	0.99
216_K	228_S	0.710	0.99
80_E	126_P	0.710	0.99
23_L	26_S	0.709	0.99
204_E	210_S	0.707	0.99
211_L	217_I	0.705	0.99
58_Y	62_L	0.703	0.98
37_K	43_S	0.703	0.98
21_A	31_L	0.702	0.98
43_S	50_G	0.701	0.98
97_E	177_A	0.697	0.98
243_Q	246_I	0.696	0.98
239_E	243_Q	0.683	0.98
219_R	276_I	0.682	0.98
86_I	119_E	0.681	0.98
11_V	30_R	0.680	0.98
238_I	259_T	0.680	0.98
157_S	253_D	0.677	0.98
48_V	52_R	0.676	0.98
141_D	247_R	0.674	0.98
202_S	206_K	0.674	0.98
159_G	246_I	0.670	0.98
67_I	70_I	0.668	0.98
172_A	175_L	0.667	0.98
139_R	189_Y	0.664	0.98
9_F	13_K	0.664	0.98
21_A	24_D	0.663	0.98
40_M	47_E	0.662	0.98
185_Q	248_D	0.661	0.98
209_Y	238_I	0.656	0.98
241_Q	259_T	0.655	0.98
195_F	258_T	0.655	0.98
81_V	167_M	0.655	0.98
242_I	257_L	0.653	0.98
205_I	209_Y	0.653	0.98
115_A	236_R	0.652	0.98
264_V	268_D	0.652	0.98
11_V	72_I	0.651	0.98
74_K	195_F	0.647	0.97
39_L	50_G	0.647	0.97
241_Q	245_L	0.641	0.97
142_S	172_A	0.641	0.97
136_I	289_T	0.640	0.97
149_P	166_I	0.640	0.97
151_L	164_Y	0.638	0.97
18_I	21_A	0.637	0.97
79_P	127_N	0.634	0.97
95_Y	119_E	0.634	0.97
159_G	242_I	0.631	0.97
91_A	146_L	0.631	0.97
182_Y	188_I	0.630	0.97
213_I	281_I	0.627	0.97
42_Y	46_K	0.624	0.97
155_L	251_I	0.623	0.97
202_S	242_I	0.623	0.97
91_A	176_E	0.620	0.97
78_P	252_P	0.617	0.97
208_P	231_T	0.616	0.97
277_V	291_V	0.612	0.96
33_E	63_K	0.611	0.96
205_I	284_I	0.610	0.96
48_V	51_D	0.605	0.96
175_L	247_R	0.603	0.96
187_K	247_R	0.602	0.96
7_K	204_E	0.602	0.96
75_P	199_I	0.602	0.96
284_I	287_L	0.601	0.96
30_R	33_E	0.600	0.96
219_R	278_E	0.599	0.96
48_V	203_D	0.598	0.96
189_Y	248_D	0.598	0.96
165_T	196_G	0.597	0.96
86_I	92_R	0.596	0.96
54_T	57_D	0.596	0.96
131_G	197_P	0.595	0.96
231_T	282_S	0.595	0.96
170_V	277_V	0.593	0.96
117_R	179_N	0.590	0.96
9_F	20_Y	0.587	0.95
145_T	170_V	0.587	0.95
211_L	231_T	0.585	0.95
43_S	162_L	0.584	0.95
74_K	78_P	0.582	0.95
125_T	184_P	0.581	0.95
80_E	184_P	0.578	0.95
63_K	66_Q	0.576	0.95
95_Y	177_A	0.573	0.95
44_E	48_V	0.572	0.95
92_R	235_R	0.571	0.95
147_P	279_I	0.569	0.95
83_G	183_L	0.569	0.95
81_V	129_C	0.567	0.95
18_I	32_D	0.566	0.94
95_Y	264_V	0.566	0.94
90_M	93_E	0.565	0.94
89_E	233_K	0.563	0.94
245_L	249_N	0.563	0.94
38_A	42_Y	0.561	0.94
27_T	65_F	0.561	0.94
208_P	211_L	0.560	0.94
120_I	241_Q	0.560	0.94
30_R	65_F	0.559	0.94
13_K	65_F	0.558	0.94
90_M	229_V	0.558	0.94
36_I	41_R	0.556	0.94
234_M	239_E	0.555	0.94
271_L	277_V	0.555	0.94
170_V	191_G	0.553	0.94
80_E	127_N	0.552	0.94
8_L	31_L	0.550	0.94
120_I	185_Q	0.547	0.93
46_K	51_D	0.547	0.93
173_R	176_E	0.547	0.93
91_A	173_R	0.545	0.93
263_I	266_G	0.545	0.93
79_P	126_P	0.543	0.93
129_C	132_H	0.542	0.93
86_I	171_S	0.541	0.93
178_E	244_Y	0.540	0.93
92_R	96_S	0.540	0.93
35_P	41_R	0.540	0.93
156_D	253_D	0.539	0.93
93_E	233_K	0.538	0.93
59_Q	66_Q	0.535	0.93
139_R	142_S	0.534	0.93
213_I	233_K	0.529	0.92
231_T	238_I	0.528	0.92
179_N	184_P	0.528	0.92
40_M	44_E	0.526	0.92
137_A	160_K	0.526	0.92
86_I	97_E	0.526	0.92
92_R	95_Y	0.524	0.92
146_L	176_E	0.523	0.92
82_W	125_T	0.519	0.92
41_R	45_N	0.519	0.92
127_N	250_P	0.516	0.91
6_M	203_D	0.514	0.91
18_I	23_L	0.511	0.91
170_V	291_V	0.511	0.91
205_I	208_P	0.509	0.91
126_P	129_C	0.507	0.91
60_S	63_K	0.504	0.90
20_Y	23_L	0.504	0.90
77_D	252_P	0.502	0.90
148_E	169_D	0.502	0.90
39_L	47_E	0.501	0.90
10_R	19_S	0.500	0.90
130_V	291_V	0.500	0.90
24_D	29_I	0.500	0.90

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
2q18X	3	0.9195	100	0.264	Contact Map
3r6oA	2	0.8289	100	0.273	Contact Map
3lzkA	2	0.9463	100	0.292	Contact Map
4dbfA	2	0.8121	100	0.306	Contact Map
3rr6A	1	0.8121	100	0.324	Contact Map
4qkuA	2	0.9698	100	0.324	Contact Map
1wzoA	4	0.7718	100	0.33	Contact Map
2dfuA	2	0.7752	100	0.342	Contact Map
1hyoA	2	0.9664	100	0.361	Contact Map
1gttA	1	0.8758	100	0.374	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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