NADK1 - BACSU - GREMLIN Contacts

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NADK1 - NAD kinase 1

UniProt:	O31612	Sequences: MKFAVSSKGDQVSDTLKSKIQAYLLDFDMELDENEPEIVISVGGDGTLLYAFHRYSDRLDKTAFVGVHTGHLGFYADWVPHEIEKLVLAIAKTPYHTVEYPLLEVIVTYHENEREERYLALNECTIKSIEGSLVADVEIKGQLFETFRGDGLCLSTPSGSTAYNKALGGAIIHPSIRAIQLAEMASINNRVFRTVGSPLLLPSHHDCMIKPRNEVDFQVTIDHLTLLHKDVKSIRCQVASEKVRFARFRPFPFWKRVQDSFIGKGE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	266 (226)
Sequences:	4212 (2807)
Seq/√Len:	186.7

ECOLI - NADK
BACSU - NADK1 NADK2
HALSA - NADK
SULSO - NADK

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
206_D	237_Q	4.065	1.00
99_E	244_R	3.919	1.00
208_M	233_S	3.860	1.00
140_K	205_H	3.567	1.00
136_D	210_K	3.241	1.00
177_R	203_S	3.171	1.00
208_M	235_R	3.111	1.00
89_A	94_P	3.043	1.00
164_N	182_A	2.978	1.00
135_A	209_I	2.944	1.00
104_E	237_Q	2.881	1.00
210_K	233_S	2.837	1.00
104_E	117_R	2.718	1.00
106_I	235_R	2.689	1.00
48_L	245_F	2.559	1.00
138_E	143_L	2.456	1.00
206_D	235_R	2.440	1.00
172_I	180_Q	2.377	1.00
99_E	242_K	2.323	1.00
138_E	210_K	2.297	1.00
141_G	208_M	2.175	1.00
131_G	134_V	2.139	1.00
82_E	85_K	2.136	1.00
181_L	201_L	2.100	1.00
138_E	208_M	2.048	1.00
88_L	92_K	2.019	1.00
100_Y	158_S	1.890	1.00
105_V	124_C	1.874	1.00
137_V	181_L	1.857	1.00
142_Q	252_P	1.845	1.00
106_I	117_R	1.829	1.00
39_V	55_Y	1.826	1.00
110_H	232_K	1.816	1.00
98_V	247_R	1.723	1.00
124_C	219_V	1.722	1.00
126_I	209_I	1.719	1.00
119_L	239_A	1.680	1.00
53_H	224_L	1.678	1.00
141_G	206_D	1.675	1.00
139_I	207_C	1.675	1.00
48_L	66_G	1.669	1.00
97_T	244_R	1.659	1.00
108_T	114_R	1.636	1.00
167_L	182_A	1.614	1.00
42_V	69_T	1.584	1.00
106_I	237_Q	1.577	1.00
102_L	243_V	1.553	1.00
161_T	171_I	1.541	1.00
139_I	205_H	1.515	1.00
108_T	233_S	1.482	1.00
57_D	60_D	1.470	1.00
143_L	146_T	1.455	1.00
167_L	185_A	1.444	1.00
170_A	180_Q	1.443	1.00
103_L	179_I	1.425	1.00
154_L	209_I	1.389	1.00
137_V	152_L	1.375	1.00
77_D	247_R	1.373	1.00
78_W	86_L	1.349	1.00
136_D	146_T	1.314	1.00
48_L	76_A	1.311	1.00
123_E	153_C	1.283	1.00
110_H	115_E	1.277	1.00
104_E	239_A	1.268	1.00
120_A	221_I	1.258	1.00
40_I	87_V	1.209	1.00
172_I	200_L	1.206	1.00
170_A	200_L	1.198	1.00
108_T	235_R	1.197	1.00
201_L	207_C	1.190	1.00
142_Q	255_K	1.180	1.00
124_C	236_C	1.175	1.00
102_L	239_A	1.172	1.00
173_H	202_P	1.170	1.00
253_F	257_V	1.164	1.00
124_C	221_I	1.163	1.00
72_L	187_I	1.159	1.00
172_I	178_A	1.153	1.00
68_H	73_G	1.150	1.00
61_K	244_R	1.149	1.00
114_R	117_R	1.143	1.00
173_H	254_W	1.130	1.00
38_I	90_I	1.129	1.00
155_S	180_Q	1.126	1.00
57_D	241_E	1.108	1.00
154_L	181_L	1.106	1.00
203_S	238_V	1.103	1.00
104_E	240_S	1.102	1.00
102_L	242_K	1.101	1.00
150_D	163_Y	1.090	1.00
52_F	64_F	1.089	1.00
153_C	167_L	1.086	1.00
105_V	221_I	1.075	1.00
34_N	60_D	1.068	1.00
85_K	89_A	1.067	1.00
61_K	241_E	1.063	1.00
154_L	179_I	1.058	1.00
211_P	217_F	1.042	1.00
94_P	249_R	1.037	1.00
65_V	90_I	1.033	1.00
177_R	242_K	1.031	1.00
100_Y	103_L	1.023	1.00
255_K	259_D	1.016	1.00
38_I	246_A	1.003	0.99
101_P	177_R	0.997	0.99
90_I	95_Y	0.995	0.99
229_K	232_K	0.986	0.99
136_D	143_L	0.986	0.99
101_P	203_S	0.980	0.99
216_D	229_K	0.978	0.99
138_E	141_G	0.976	0.99
67_V	78_W	0.972	0.99
201_L	205_H	0.965	0.99
165_K	190_R	0.961	0.99
85_K	88_L	0.953	0.99
104_E	119_L	0.946	0.99
96_H	250_P	0.940	0.99
106_I	114_R	0.939	0.99
180_Q	200_L	0.938	0.99
89_A	248_F	0.934	0.99
108_T	232_K	0.933	0.99
123_E	127_K	0.932	0.99
177_R	238_V	0.928	0.99
52_F	243_V	0.924	0.99
119_L	241_E	0.920	0.99
101_P	238_V	0.915	0.99
158_S	174_P	0.909	0.99
125_T	153_C	0.908	0.99
173_H	205_H	0.907	0.99
154_L	236_C	0.906	0.99
129_I	132_S	0.906	0.99
74_F	254_W	0.903	0.99
65_V	246_A	0.898	0.99
179_I	207_C	0.890	0.99
100_Y	174_P	0.885	0.99
165_K	187_I	0.882	0.99
175_S	202_P	0.882	0.99
68_H	260_S	0.880	0.99
108_T	115_E	0.874	0.99
84_E	88_L	0.872	0.99
32_D	36_P	0.871	0.99
39_V	64_F	0.869	0.98
173_H	253_F	0.869	0.98
216_D	227_L	0.866	0.98
189_N	223_H	0.864	0.98
238_V	242_K	0.863	0.98
57_D	61_K	0.861	0.98
251_F	256_R	0.860	0.98
139_I	201_L	0.859	0.98
67_V	83_I	0.859	0.98
110_H	229_K	0.852	0.98
135_A	149_G	0.848	0.98
140_K	206_D	0.842	0.98
38_I	65_V	0.841	0.98
135_A	152_L	0.840	0.98
65_V	78_W	0.835	0.98
177_R	204_H	0.826	0.98
101_P	157_P	0.825	0.98
165_K	170_A	0.825	0.98
152_L	181_L	0.824	0.98
110_H	113_E	0.820	0.98
108_T	111_E	0.817	0.98
202_P	205_H	0.815	0.98
41_S	51_A	0.810	0.98
118_Y	221_I	0.806	0.98
121_L	243_V	0.805	0.98
111_E	114_R	0.797	0.97
86_L	248_F	0.797	0.97
144_F	254_W	0.797	0.97
101_P	179_I	0.796	0.97
190_R	193_R	0.794	0.97
98_V	175_S	0.794	0.97
46_G	70_G	0.791	0.97
42_V	67_V	0.785	0.97
36_P	166_A	0.784	0.97
252_P	255_K	0.783	0.97
105_V	234_I	0.778	0.97
139_I	144_F	0.777	0.97
90_I	93_T	0.774	0.97
56_S	239_A	0.771	0.97
52_F	121_L	0.764	0.97
254_W	257_V	0.764	0.97
137_V	209_I	0.763	0.97
154_L	207_C	0.763	0.97
217_F	222_D	0.759	0.96
31_L	34_N	0.749	0.96
182_A	198_P	0.746	0.96
77_D	248_F	0.744	0.96
77_D	162_A	0.730	0.96
218_Q	227_L	0.728	0.96
101_P	105_V	0.727	0.96
175_S	204_H	0.726	0.95
191_V	198_P	0.718	0.95
189_N	236_C	0.714	0.95
33_E	36_P	0.714	0.95
123_E	224_L	0.712	0.95
147_F	171_I	0.707	0.95
86_L	90_I	0.706	0.95
101_P	178_A	0.703	0.95
137_V	147_F	0.703	0.95
209_I	236_C	0.698	0.94
165_K	261_F	0.697	0.94
85_K	250_P	0.696	0.94
151_G	184_M	0.694	0.94
96_H	247_R	0.691	0.94
253_F	256_R	0.689	0.94
71_H	148_R	0.686	0.94
108_T	112_N	0.685	0.94
186_S	189_N	0.685	0.94
140_K	204_H	0.679	0.94
121_L	158_S	0.676	0.93
32_D	35_E	0.673	0.93
252_P	256_R	0.672	0.93
144_F	201_L	0.670	0.93
134_V	148_R	0.670	0.93
107_V	228_H	0.669	0.93
167_L	184_M	0.666	0.93
103_L	120_A	0.666	0.93
48_L	64_F	0.665	0.93
33_E	55_Y	0.664	0.93
83_I	86_L	0.662	0.93
133_L	162_A	0.662	0.93
77_D	251_F	0.659	0.93
102_L	121_L	0.655	0.92
55_Y	64_F	0.654	0.92
152_L	209_I	0.653	0.92
174_P	253_F	0.653	0.92
228_H	234_I	0.652	0.92
40_I	65_V	0.647	0.92
63_A	244_R	0.646	0.92
55_Y	62_T	0.639	0.91
98_V	107_V	0.638	0.91
56_S	102_L	0.636	0.91
107_V	234_I	0.635	0.91
82_E	86_L	0.635	0.91
175_S	225_T	0.630	0.91
50_Y	224_L	0.628	0.91
103_L	158_S	0.627	0.91
178_A	200_L	0.624	0.90
80_P	84_E	0.624	0.90
259_D	262_I	0.624	0.90
187_I	190_R	0.623	0.90
50_Y	53_H	0.619	0.90
150_D	185_A	0.618	0.90
49_L	164_N	0.617	0.90
51_A	133_L	0.616	0.90
125_T	223_H	0.612	0.90
220_T	223_H	0.608	0.89
39_V	62_T	0.605	0.89
113_E	232_K	0.605	0.89
132_S	135_A	0.604	0.89
73_G	76_A	0.604	0.89
61_K	102_L	0.604	0.89
218_Q	222_D	0.602	0.89
64_F	243_V	0.597	0.88
95_Y	246_A	0.597	0.88
77_D	256_R	0.597	0.88
56_S	241_E	0.596	0.88
111_E	115_E	0.595	0.88
227_L	230_D	0.595	0.88
114_R	240_S	0.590	0.88
106_I	115_E	0.588	0.88
44_G	70_G	0.588	0.88
129_I	134_V	0.587	0.87
105_V	219_V	0.587	0.87
130_E	133_L	0.584	0.87
102_L	119_L	0.582	0.87
33_E	60_D	0.582	0.87
102_L	105_V	0.580	0.87
145_E	162_A	0.572	0.86
128_S	131_G	0.571	0.86
110_H	234_I	0.570	0.86
48_L	75_Y	0.568	0.86
65_V	86_L	0.568	0.86
56_S	61_K	0.567	0.86
164_N	180_Q	0.564	0.85
165_K	186_S	0.560	0.85
214_E	219_V	0.560	0.85
178_A	198_P	0.559	0.85
217_F	223_H	0.559	0.85
123_E	166_A	0.559	0.85
47_T	100_Y	0.555	0.84
66_G	73_G	0.555	0.84
134_V	146_T	0.553	0.84
79_V	82_E	0.553	0.84
67_V	86_L	0.551	0.84
176_I	203_S	0.551	0.84
36_P	62_T	0.551	0.84
150_D	182_A	0.551	0.84
125_T	149_G	0.550	0.84
100_Y	253_F	0.549	0.84
31_L	35_E	0.549	0.84
53_H	56_S	0.549	0.84
95_Y	99_E	0.547	0.84
246_A	256_R	0.544	0.83
123_E	155_S	0.542	0.83
192_F	261_F	0.540	0.83
41_S	48_L	0.540	0.83
80_P	152_L	0.540	0.83
95_Y	248_F	0.539	0.83
64_F	171_I	0.539	0.83
166_A	240_S	0.538	0.83
131_G	220_T	0.538	0.83
90_I	248_F	0.537	0.82
79_V	253_F	0.536	0.82
115_E	118_Y	0.536	0.82
68_H	153_C	0.536	0.82
48_L	225_T	0.535	0.82
56_S	119_L	0.534	0.82
102_L	107_V	0.533	0.82
135_A	211_P	0.532	0.82
85_K	91_A	0.532	0.82
38_I	41_S	0.532	0.82
97_T	102_L	0.531	0.82
219_V	228_H	0.529	0.82
39_V	65_V	0.525	0.81
161_T	183_E	0.524	0.81
258_Q	261_F	0.523	0.81
123_E	220_T	0.523	0.81
128_S	184_M	0.520	0.80
94_P	98_V	0.520	0.80
192_F	198_P	0.519	0.80
127_K	218_Q	0.519	0.80
126_I	217_F	0.517	0.80
145_E	256_R	0.513	0.80
55_Y	60_D	0.512	0.79
107_V	232_K	0.510	0.79
49_L	121_L	0.509	0.79
30_E	115_E	0.508	0.79
36_P	39_V	0.508	0.79
204_H	238_V	0.508	0.79
77_D	98_V	0.506	0.79
147_F	183_E	0.506	0.79
78_W	125_T	0.506	0.79
69_T	180_Q	0.502	0.78
112_N	233_S	0.501	0.78
44_G	73_G	0.501	0.78
89_A	95_Y	0.500	0.78
64_F	167_L	0.500	0.78

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
3pfnA	4	0.9586	100	0.177	Contact Map
3afoA	4	0.9737	100	0.208	Contact Map
2i2cA	3	0.9925	100	0.285	Contact Map
2an1A	4	0.9474	100	0.322	Contact Map
1u0tA	4	0.9699	100	0.334	Contact Map
1yt5A	4	0.9248	100	0.336	Contact Map
1z0sA	4	0.8947	100	0.346	Contact Map
2qv7A	2	0.9098	100	0.647	Contact Map
3s40A	3	0.8835	99.9	0.671	Contact Map
4werA	2	0.8571	99.9	0.68	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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