T0877_1_142 - CASP12 - GREMLIN Contacts

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T0877_1_142 - T0877 1-142

ID:	15	Sequences: PYVPMPCMINDTHFLLRGPFEASWAIKLEITDVTTLVVDTDNVANPTNISKCFANNQDERLLGFTMEWFLSGLEHDHHFTPQIICGNVSKGEVNAQVNITMEDHCSQVFLKMRRIFGVFKNPCTSHGKQNVLISVSNWTNQC	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	142 (140)
Sequences:	77 (43)
Seq/√Len:	3.6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
2_Y	107_Q	2.577	0.45
98_N	142_C	2.391	0.40
1_P	22_A	2.220	0.35
7_C	98_N	2.150	0.34
7_C	142_C	2.150	0.34
8_M	13_H	2.128	0.33
60_R	136_S	2.113	0.33
26_I	124_T	2.104	0.32
29_E	32_D	2.027	0.31
52_C	68_W	2.017	0.30
11_D	34_T	2.016	0.30
10_N	142_C	1.997	0.30
10_N	98_N	1.997	0.30
48_N	66_M	1.979	0.30
34_T	130_N	1.966	0.29
68_W	117_G	1.904	0.28
27_K	32_D	1.870	0.27
12_T	112_M	1.851	0.27
7_C	10_N	1.782	0.25
4_P	85_C	1.779	0.25
73_L	80_T	1.750	0.25
50_S	137_N	1.713	0.24
95_A	133_I	1.701	0.24
76_D	108_V	1.699	0.24
18_G	68_W	1.683	0.23
11_D	51_K	1.642	0.22
138_W	142_C	1.604	0.22
98_N	138_W	1.604	0.22
132_L	137_N	1.577	0.21
85_C	116_F	1.552	0.21
33_V	136_S	1.552	0.21
100_T	140_N	1.548	0.21
92_E	116_F	1.529	0.20
4_P	7_C	1.528	0.20
16_L	38_V	1.512	0.20
19_P	49_I	1.493	0.20
41_D	74_E	1.489	0.20
48_N	138_W	1.480	0.19
4_P	142_C	1.446	0.19
4_P	98_N	1.446	0.19
12_T	49_I	1.437	0.19
35_T	95_A	1.436	0.19
9_I	120_K	1.390	0.18
7_C	138_W	1.389	0.18
112_M	137_N	1.370	0.18
30_I	99_I	1.347	0.17
37_V	84_I	1.324	0.17
76_D	140_N	1.323	0.17
104_H	107_Q	1.313	0.17
35_T	88_V	1.290	0.16
63_G	70_L	1.263	0.16
13_H	29_E	1.263	0.16
42_N	45_N	1.263	0.16
45_N	53_F	1.261	0.16
34_T	78_H	1.229	0.16
129_Q	133_I	1.220	0.15
23_S	59_E	1.212	0.15
25_A	135_V	1.170	0.15
10_N	138_W	1.161	0.15
8_M	129_Q	1.160	0.15
61_L	86_G	1.142	0.14
51_K	67_E	1.113	0.14
66_M	99_I	1.109	0.14
17_R	83_I	1.109	0.14
4_P	10_N	1.108	0.14
15_L	25_A	1.101	0.14
3_V	114_R	1.098	0.14
5_M	9_I	1.092	0.14
4_P	52_C	1.073	0.13
128_K	141_Q	1.071	0.13
53_F	111_K	1.068	0.13
19_P	100_T	1.053	0.13
124_T	133_I	1.048	0.13
31_T	48_N	1.044	0.13
95_A	131_V	1.022	0.13
88_V	103_D	1.021	0.13
7_C	85_C	1.012	0.13
94_N	112_M	1.011	0.13
35_T	68_W	1.005	0.13
11_D	130_N	0.998	0.12
52_C	112_M	0.995	0.12
19_P	117_G	0.989	0.12
29_E	113_R	0.985	0.12
17_R	22_A	0.977	0.12
65_T	115_I	0.964	0.12
40_T	108_V	0.963	0.12
92_E	137_N	0.945	0.12
66_M	97_V	0.941	0.12
19_P	24_W	0.938	0.12
12_T	94_N	0.937	0.12
30_I	136_S	0.934	0.12
100_T	111_K	0.927	0.12
105_C	119_F	0.922	0.12
81_P	101_M	0.919	0.12
3_V	112_M	0.917	0.12
32_D	77_H	0.909	0.11
58_D	81_P	0.897	0.11
20_F	58_D	0.897	0.11
28_L	90_K	0.892	0.11
10_N	68_W	0.884	0.11
85_C	142_C	0.880	0.11
85_C	98_N	0.880	0.11
81_P	121_N	0.875	0.11
17_R	71_S	0.871	0.11
78_H	140_N	0.866	0.11
26_I	97_V	0.844	0.11
1_P	24_W	0.843	0.11
8_M	141_Q	0.839	0.11
8_M	33_V	0.836	0.11
59_E	113_R	0.826	0.11
66_M	106_S	0.825	0.11
6_P	31_T	0.825	0.11
35_T	131_V	0.822	0.11
58_D	121_N	0.816	0.10
3_V	54_A	0.809	0.10
68_W	98_N	0.808	0.10
68_W	142_C	0.808	0.10
28_L	92_E	0.804	0.10
31_T	138_W	0.768	0.10
34_T	51_K	0.761	0.10
32_D	46_P	0.760	0.10
4_P	138_W	0.760	0.10
86_G	106_S	0.754	0.10
26_I	133_I	0.750	0.10
14_F	38_V	0.749	0.10
2_Y	114_R	0.739	0.10
12_T	48_N	0.736	0.10
17_R	58_D	0.732	0.10
62_L	121_N	0.726	0.10
26_I	135_V	0.725	0.10
87_N	115_I	0.719	0.09
47_T	140_N	0.716	0.09
81_P	122_P	0.716	0.09
40_T	44_A	0.711	0.09
14_F	134_S	0.706	0.09
18_G	69_F	0.702	0.09
12_T	98_N	0.701	0.09
12_T	142_C	0.701	0.09
13_H	138_W	0.697	0.09
16_L	110_L	0.697	0.09
45_N	54_A	0.687	0.09
62_L	140_N	0.687	0.09
104_H	130_N	0.685	0.09
13_H	25_A	0.685	0.09
14_F	74_E	0.679	0.09
65_T	73_L	0.676	0.09
103_D	132_L	0.674	0.09
135_V	138_W	0.666	0.09
4_P	100_T	0.648	0.09
70_L	120_K	0.644	0.09
93_V	137_N	0.642	0.09
27_K	53_F	0.642	0.09
17_R	68_W	0.640	0.09
110_L	122_P	0.639	0.09
58_D	115_I	0.637	0.09
66_M	140_N	0.636	0.09
44_A	123_C	0.634	0.09
35_T	84_I	0.628	0.09
19_P	114_R	0.627	0.09
16_L	105_C	0.624	0.09
12_T	19_P	0.623	0.09
64_F	114_R	0.622	0.09
35_T	99_I	0.618	0.09
7_C	68_W	0.617	0.09
118_V	129_Q	0.616	0.09
100_T	117_G	0.607	0.08
96_Q	142_C	0.591	0.08
50_S	99_I	0.584	0.08
68_W	112_M	0.577	0.08
10_N	37_V	0.577	0.08
62_L	103_D	0.574	0.08
26_I	66_M	0.573	0.08
76_D	115_I	0.562	0.08
18_G	112_M	0.562	0.08
37_V	43_V	0.562	0.08
46_P	75_H	0.560	0.08
65_T	83_I	0.560	0.08
1_P	65_T	0.559	0.08
37_V	96_Q	0.555	0.08
116_F	119_F	0.553	0.08
5_M	63_G	0.553	0.08
50_S	56_N	0.549	0.08
81_P	107_Q	0.549	0.08
45_N	65_T	0.547	0.08
51_K	61_L	0.547	0.08
32_D	92_E	0.546	0.08
52_C	117_G	0.544	0.08
132_L	139_T	0.544	0.08
24_W	52_C	0.543	0.08
16_L	79_F	0.542	0.08
52_C	81_P	0.541	0.08
28_L	69_F	0.532	0.08
26_I	86_G	0.524	0.08
62_L	92_E	0.523	0.08
109_F	132_L	0.523	0.08
99_I	132_L	0.520	0.08
73_L	116_F	0.520	0.08
48_N	100_T	0.518	0.08
26_I	77_H	0.514	0.08
13_H	31_T	0.511	0.08
7_C	12_T	0.509	0.08
18_G	117_G	0.509	0.08
65_T	96_Q	0.509	0.08
13_H	103_D	0.507	0.08
49_I	100_T	0.506	0.08
7_C	96_Q	0.506	0.08
54_A	70_L	0.504	0.08
80_T	83_I	0.503	0.08
14_F	30_I	0.501	0.08
81_P	111_K	0.500	0.08

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
5en2_C	1	0.9296	100	0.18	Contact Map
4zjf_A	1	0.9014	100	0.195	Contact Map
2wfo_A	1	0.9296	100	0.208	Contact Map
1v90_A	1	0.2606	2.4	0.965	Contact Map
1ms9_A	1	0.4225	1.8	0.967	Contact Map
5f3x_B	1	0.4718	1.6	0.968	Contact Map
4hfl_A	1	0.2676	1.4	0.969	Contact Map
2zdj_A	1	0.1831	1.3	0.969	Contact Map
2aqx_A	1	0.507	1.2	0.97	Contact Map
3h75_A	1	0.3592	1.2	0.97	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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