T0898_1_169 - CASP12 - GREMLIN Contacts

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T0898_1_169 - T0898 1-169

ID:	50	Sequences: MSNFEKKYILELNDALSHLNHNSTSFDLLKVLISWLSNDIVIDKFKILGYDFSKYIEMNPDDYPVEKSILNREEIIYLKNNIYRKISSGNFKFQYFVQYIRDILEYLFIEHIERVCPYCEWGEMQKLEEQNTHETVYLCTQCGCAFYNDNSQFLLKTPLTIPMKRDEFK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	169 (152)
Sequences:	32 (30)
Seq/√Len:	2.4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
139_C	142_C	4.011	0.63
116_C	139_C	4.011	0.63
116_C	142_C	4.011	0.63
7_K	136_V	3.249	0.46
52_F	124_M	3.120	0.43
36_L	96_F	3.063	0.42
11_E	58_M	2.996	0.40
116_C	119_C	2.252	0.26
119_C	142_C	2.252	0.26
63_Y	74_E	2.252	0.26
119_C	139_C	2.252	0.26
125_Q	135_T	2.061	0.23
29_L	121_W	1.934	0.21
53_S	113_E	1.887	0.20
105_E	123_E	1.873	0.20
16_L	58_M	1.815	0.19
105_E	137_Y	1.791	0.19
14_D	27_D	1.744	0.18
39_D	64_P	1.713	0.18
11_E	56_I	1.709	0.18
32_L	162_P	1.631	0.17
104_L	138_L	1.604	0.16
63_Y	127_L	1.576	0.16
18_H	44_K	1.556	0.16
9_I	100_I	1.494	0.15
35_W	150_N	1.487	0.15
32_L	124_M	1.475	0.15
2_S	6_K	1.471	0.15
31_V	34_S	1.459	0.15
51_D	150_N	1.427	0.14
60_P	64_P	1.408	0.14
131_N	144_C	1.403	0.14
77_Y	123_E	1.387	0.14
9_I	102_D	1.384	0.14
39_D	100_I	1.372	0.14
122_G	125_Q	1.371	0.14
75_I	96_F	1.370	0.14
14_D	149_D	1.370	0.14
76_I	107_L	1.370	0.14
50_Y	145_A	1.319	0.13
52_F	116_C	1.306	0.13
52_F	139_C	1.306	0.13
52_F	142_C	1.306	0.13
27_D	92_K	1.278	0.13
36_L	128_E	1.277	0.13
59_N	107_L	1.272	0.13
15_A	107_L	1.265	0.12
56_I	100_I	1.242	0.12
19_L	111_H	1.241	0.12
20_N	82_I	1.232	0.12
72_R	161_I	1.227	0.12
152_Q	161_I	1.225	0.12
68_S	109_I	1.194	0.12
100_I	140_T	1.190	0.12
29_L	119_C	1.187	0.12
45_F	149_D	1.182	0.12
116_C	124_M	1.174	0.12
124_M	139_C	1.174	0.12
124_M	142_C	1.174	0.12
114_R	117_P	1.173	0.12
28_L	126_K	1.138	0.11
63_Y	137_Y	1.137	0.11
35_W	136_V	1.127	0.11
2_S	5_E	1.123	0.11
123_E	143_G	1.117	0.11
38_N	105_E	1.098	0.11
68_S	126_K	1.090	0.11
25_S	126_K	1.088	0.11
52_F	87_S	1.083	0.11
50_Y	140_T	1.073	0.11
112_I	152_Q	1.072	0.11
7_K	106_Y	1.070	0.11
112_I	122_G	1.051	0.11
9_I	35_W	1.037	0.10
6_K	157_T	1.031	0.10
77_Y	115_V	1.013	0.10
97_V	110_E	1.009	0.10
75_I	92_K	1.001	0.10
68_S	112_I	0.981	0.10
71_N	114_R	0.965	0.10
148_N	157_T	0.959	0.10
7_K	119_C	0.959	0.10
51_D	54_K	0.958	0.10
65_V	102_D	0.953	0.10
52_F	143_G	0.952	0.10
6_K	148_N	0.947	0.10
127_L	141_Q	0.946	0.10
33_I	161_I	0.929	0.10
44_K	57_E	0.926	0.10
50_Y	120_E	0.915	0.09
55_Y	93_F	0.914	0.09
122_G	162_P	0.910	0.09
101_R	141_Q	0.893	0.09
9_I	87_S	0.891	0.09
34_S	151_S	0.886	0.09
32_L	136_V	0.884	0.09
29_L	105_E	0.883	0.09
74_E	105_E	0.878	0.09
2_S	21_H	0.875	0.09
35_W	143_G	0.870	0.09
22_N	81_N	0.864	0.09
3_N	6_K	0.851	0.09
19_L	29_L	0.846	0.09
96_F	153_F	0.838	0.09
27_D	37_S	0.835	0.09
36_L	117_P	0.830	0.09
108_F	138_L	0.827	0.09
100_I	111_H	0.817	0.09
145_A	162_P	0.813	0.09
28_L	128_E	0.811	0.09
117_P	142_C	0.802	0.09
117_P	139_C	0.802	0.09
119_C	136_V	0.802	0.09
61_D	112_I	0.800	0.09
36_L	63_Y	0.800	0.09
11_E	109_I	0.798	0.09
35_W	100_I	0.791	0.09
40_I	99_Y	0.789	0.09
63_Y	114_R	0.788	0.08
13_N	82_I	0.788	0.08
58_M	100_I	0.787	0.08
96_F	114_R	0.785	0.08
12_L	35_W	0.785	0.08
60_P	63_Y	0.785	0.08
53_S	150_N	0.784	0.08
32_L	116_C	0.779	0.08
32_L	139_C	0.779	0.08
32_L	142_C	0.779	0.08
43_D	58_M	0.776	0.08
78_L	154_L	0.773	0.08
72_R	80_N	0.773	0.08
7_K	47_I	0.771	0.08
122_G	135_T	0.769	0.08
75_I	161_I	0.756	0.08
123_E	162_P	0.755	0.08
58_M	122_G	0.753	0.08
4_F	25_S	0.749	0.08
38_N	60_P	0.747	0.08
15_A	38_N	0.746	0.08
6_K	21_H	0.741	0.08
58_M	75_I	0.737	0.08
39_D	63_Y	0.736	0.08
70_L	128_E	0.735	0.08
29_L	68_S	0.732	0.08
3_N	95_Y	0.728	0.08
111_H	158_P	0.727	0.08
32_L	52_F	0.724	0.08
117_P	162_P	0.721	0.08
92_K	149_D	0.718	0.08
121_W	140_T	0.716	0.08
47_I	148_N	0.716	0.08
107_L	113_E	0.700	0.08
80_N	110_E	0.698	0.08
47_I	92_K	0.693	0.08
27_D	46_K	0.687	0.08
24_T	57_E	0.682	0.08
107_L	154_L	0.674	0.08
17_S	134_E	0.672	0.08
12_L	143_G	0.667	0.08
14_D	38_N	0.666	0.08
25_S	106_Y	0.660	0.08
134_E	160_T	0.658	0.08
10_L	26_F	0.654	0.08
55_Y	128_E	0.654	0.08
40_I	53_S	0.651	0.08
107_L	145_A	0.649	0.08
107_L	114_R	0.643	0.08
27_D	149_D	0.641	0.08
28_L	145_A	0.638	0.08
112_I	124_M	0.638	0.08
15_A	133_H	0.629	0.07
109_I	125_Q	0.624	0.07
9_I	127_L	0.615	0.07
30_K	131_N	0.614	0.07
137_Y	143_G	0.608	0.07
123_E	137_Y	0.603	0.07
17_S	160_T	0.601	0.07
13_N	18_H	0.599	0.07
100_I	143_G	0.598	0.07
54_K	80_N	0.597	0.07
142_C	162_P	0.597	0.07
116_C	162_P	0.597	0.07
139_C	162_P	0.597	0.07
76_I	156_K	0.597	0.07
21_H	47_I	0.597	0.07
63_Y	139_C	0.594	0.07
63_Y	142_C	0.594	0.07
63_Y	116_C	0.594	0.07
7_K	16_L	0.585	0.07
16_L	19_L	0.582	0.07
23_S	146_F	0.582	0.07
118_Y	144_C	0.581	0.07
41_V	68_S	0.578	0.07
17_S	131_N	0.577	0.07
63_Y	96_F	0.575	0.07
51_D	143_G	0.569	0.07
67_K	76_I	0.567	0.07
13_N	26_F	0.563	0.07
118_Y	131_N	0.559	0.07
37_S	46_K	0.559	0.07
32_L	112_I	0.559	0.07
33_I	81_N	0.554	0.07
23_S	144_C	0.552	0.07
39_D	58_M	0.550	0.07
33_I	50_Y	0.549	0.07
35_W	116_C	0.547	0.07
35_W	139_C	0.547	0.07
35_W	142_C	0.547	0.07
41_V	118_Y	0.545	0.07
51_D	160_T	0.544	0.07
74_E	161_I	0.543	0.07
21_H	159_L	0.535	0.07
52_F	150_N	0.535	0.07
7_K	21_H	0.529	0.07
100_I	119_C	0.522	0.07
58_M	129_E	0.521	0.07
109_I	150_N	0.521	0.07
77_Y	138_L	0.519	0.07
67_K	131_N	0.518	0.07
20_N	46_K	0.516	0.07
39_D	109_I	0.514	0.07
9_I	65_V	0.513	0.07
104_L	123_E	0.508	0.07
45_F	75_I	0.507	0.07
22_N	33_I	0.506	0.07
81_N	125_Q	0.504	0.07
14_D	92_K	0.503	0.07
77_Y	150_N	0.500	0.07

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
1pqv_S	1	0.787	87.4	0.907	Contact Map
3po3_S	1	0.787	86	0.909	Contact Map
1k81_A	1	0.213	85.6	0.909	Contact Map
4c2m_I	1	0.3491	80.2	0.914	Contact Map
1tfi_A	1	0.2663	74.7	0.919	Contact Map
1qyp_A	1	0.3077	73.8	0.919	Contact Map
3cw2_K	1	0.6272	70.4	0.921	Contact Map
1nee_A	1	0.7751	66.8	0.923	Contact Map
5fmf_R	1	0.6509	65.9	0.924	Contact Map
4rv9_A	1	0.3373	61.6	0.926	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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