IPI - BACSU - GREMLIN Contacts

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IPI - Intracellular proteinase inhibitor

UniProt:	P39804	Sequences: MENQEVVLSIDAIQEPEQIKFNMSLKNQSERAIEFQFSTGQKFELVVYDSEHKERYRYSKEKMFTQAFQNLTLESGETYDFSDVWKEVPEPGTYEVKVTFKGRAENLKQVQAVQQFEVK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	119 (102)
Sequences:	114 (93)
Seq/√Len:	9.2

BACSU - IPI

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
40_G	65_T	4.207	0.99
43_F	83_D	3.324	0.95
46_V	54_E	2.659	0.85
54_E	57_R	2.642	0.84
42_K	69_Q	2.275	0.74
46_V	57_R	2.198	0.71
31_R	63_M	2.172	0.70
85_W	96_V	2.161	0.70
12_A	35_F	2.114	0.68
47_V	85_W	1.899	0.59
41_Q	59_S	1.895	0.59
17_E	40_G	1.846	0.57
45_L	83_D	1.782	0.54
37_F	92_G	1.775	0.54
43_F	56_Y	1.738	0.52
26_K	34_E	1.709	0.51
68_F	76_G	1.672	0.49
47_V	96_V	1.617	0.47
40_G	66_Q	1.565	0.45
24_S	98_V	1.532	0.43
61_E	75_S	1.518	0.43
39_T	65_T	1.507	0.42
21_F	47_V	1.503	0.42
23_M	45_L	1.489	0.41
44_E	76_G	1.466	0.40
21_F	85_W	1.431	0.39
44_E	77_E	1.389	0.37
34_E	49_D	1.267	0.32
65_T	84_V	1.249	0.32
22_N	51_E	1.229	0.31
70_N	73_L	1.222	0.31
68_F	78_T	1.191	0.29
7_V	11_D	1.188	0.29
29_S	33_I	1.185	0.29
49_D	54_E	1.180	0.29
59_S	73_L	1.172	0.29
57_R	78_T	1.159	0.28
6_V	100_F	1.154	0.28
37_F	52_H	1.140	0.28
38_S	58_Y	1.110	0.27
25_L	81_F	1.108	0.27
68_F	71_L	1.106	0.26
29_S	102_G	1.096	0.26
84_V	87_E	1.092	0.26
23_M	98_V	1.088	0.26
24_S	78_T	1.083	0.26
9_S	32_A	1.078	0.26
21_F	66_Q	1.052	0.25
9_S	15_E	1.050	0.25
49_D	53_K	1.048	0.25
100_F	104_A	1.014	0.23
7_V	94_Y	1.012	0.23
31_R	76_G	1.007	0.23
34_E	96_V	0.951	0.22
66_Q	85_W	0.950	0.21
61_E	90_E	0.947	0.21
10_I	79_Y	0.943	0.21
25_L	57_R	0.937	0.21
44_E	55_R	0.934	0.21
83_D	89_P	0.929	0.21
43_F	109_Q	0.927	0.21
31_R	46_V	0.906	0.20
26_K	78_T	0.901	0.20
24_S	80_D	0.901	0.20
49_D	102_G	0.892	0.20
53_K	59_S	0.877	0.19
73_L	90_E	0.877	0.19
91_P	94_Y	0.875	0.19
43_F	89_P	0.875	0.19
21_F	73_L	0.875	0.19
48_Y	54_E	0.859	0.19
22_N	76_G	0.847	0.19
11_D	28_Q	0.841	0.18
6_V	73_L	0.840	0.18
44_E	48_Y	0.832	0.18
67_A	106_N	0.829	0.18
53_K	103_R	0.829	0.18
8_L	44_E	0.827	0.18
85_W	89_P	0.822	0.18
26_K	74_E	0.816	0.18
100_F	106_N	0.816	0.18
15_E	86_K	0.816	0.18
47_V	89_P	0.808	0.18
7_V	93_T	0.807	0.18
23_M	44_E	0.805	0.18
24_S	58_Y	0.802	0.17
103_R	106_N	0.796	0.17
35_F	51_E	0.796	0.17
25_L	56_Y	0.787	0.17
56_Y	62_K	0.782	0.17
60_K	100_F	0.782	0.17
9_S	18_Q	0.776	0.17
33_I	75_S	0.746	0.16
24_S	100_F	0.744	0.16
14_Q	58_Y	0.738	0.16
41_Q	75_S	0.732	0.16
89_P	96_V	0.721	0.15
38_S	42_K	0.719	0.15
67_A	107_L	0.712	0.15
41_Q	97_K	0.711	0.15
22_N	62_K	0.710	0.15
81_F	98_V	0.692	0.15
37_F	77_E	0.679	0.15
47_V	53_K	0.670	0.14
75_S	89_P	0.669	0.14
66_Q	92_G	0.667	0.14
18_Q	33_I	0.663	0.14
72_T	93_T	0.660	0.14
17_E	51_E	0.658	0.14
39_T	101_K	0.658	0.14
66_Q	69_Q	0.653	0.14
16_P	54_E	0.650	0.14
40_G	43_F	0.646	0.14
41_Q	100_F	0.636	0.14
56_Y	61_E	0.631	0.14
48_Y	97_K	0.628	0.13
7_V	100_F	0.628	0.13
16_P	90_E	0.621	0.13
25_L	32_A	0.620	0.13
44_E	58_Y	0.609	0.13
8_L	45_L	0.609	0.13
58_Y	75_S	0.602	0.13
59_S	94_Y	0.599	0.13
23_M	104_A	0.592	0.13
42_K	101_K	0.591	0.13
39_T	56_Y	0.591	0.13
38_S	63_M	0.588	0.13
12_A	93_T	0.585	0.13
18_Q	76_G	0.585	0.13
32_A	70_N	0.582	0.13
47_V	98_V	0.580	0.13
13_I	33_I	0.578	0.12
23_M	30_E	0.578	0.12
28_Q	61_E	0.574	0.12
80_D	95_E	0.567	0.12
60_K	69_Q	0.562	0.12
8_L	11_D	0.561	0.12
96_V	99_T	0.553	0.12
25_L	92_G	0.548	0.12
59_S	99_T	0.546	0.12
38_S	77_E	0.545	0.12
72_T	108_K	0.543	0.12
55_R	102_G	0.541	0.12
29_S	85_W	0.533	0.12
16_P	49_D	0.532	0.12
53_K	101_K	0.524	0.11
45_L	109_Q	0.521	0.11
78_T	95_E	0.521	0.11
31_R	60_K	0.512	0.11
67_A	70_N	0.505	0.11
21_F	37_F	0.505	0.11
12_A	73_L	0.500	0.11
25_L	35_F	0.500	0.11

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
3isyA	1	0.9832	100	0.178	Contact Map
2x3cA	2	0.8235	96.1	0.84	Contact Map
3cfuA	1	0.916	95.3	0.849	Contact Map
2l0dA	1	0.8403	94.7	0.855	Contact Map
1xf1A	2	0.958	94.1	0.859	Contact Map
3iduA	1	0.8319	93.7	0.861	Contact Map
2kutA	1	0.8319	92	0.869	Contact Map
4lesA	1	0.8655	91.7	0.87	Contact Map
4r4gA	1	0.8824	91.6	0.87	Contact Map
3abzA	3	0.8403	90.3	0.874	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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