CPTA - ECOLI - GREMLIN Contacts

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CPTA - Toxin CptA

UniProt:	Q46824	Sequences: MVLWQSDLRVSWRAQWLSLLIHGLVAAVILLMPWPLSYTPLWMVLLSLVVFDCVRSQRRINARQGEIRLLMDGRLRWQGQEWSIVKAPWMIKSGMMLRLRSDGGKRQHLWLAADSMDEAEWRDLRRILLQQETQR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13074
Length:	135 (129)
Sequences:	103 (71)
Seq/√Len:	6.2

ECOLI - CPTA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_Q	19_L	3.098	0.82
83_S	87_A	2.812	0.74
12_W	15_Q	2.778	0.74
33_P	57_Q	2.724	0.72
5_Q	14_A	2.369	0.61
4_W	11_S	2.310	0.59
6_S	96_M	2.027	0.48
94_G	112_A	1.999	0.47
75_L	117_D	1.995	0.47
91_I	111_L	1.948	0.46
113_A	126_R	1.948	0.46
7_D	12_W	1.927	0.45
33_P	45_L	1.910	0.44
4_W	9_R	1.905	0.44
3_L	15_Q	1.852	0.42
78_Q	91_I	1.828	0.41
37_S	95_M	1.820	0.41
24_L	92_K	1.783	0.40
18_S	69_L	1.746	0.38
4_W	8_L	1.734	0.38
46_L	99_L	1.707	0.37
52_D	130_Q	1.651	0.35
23_G	43_M	1.632	0.35
8_L	84_I	1.586	0.33
42_W	57_Q	1.565	0.32
16_W	21_I	1.563	0.32
8_L	11_S	1.545	0.32
25_V	43_M	1.524	0.31
5_Q	8_L	1.468	0.29
27_A	36_L	1.462	0.29
58_R	125_R	1.443	0.29
9_R	48_L	1.432	0.28
83_S	105_K	1.404	0.28
3_L	6_S	1.398	0.27
39_T	91_I	1.375	0.27
48_L	55_R	1.368	0.27
33_P	66_E	1.340	0.26
56_S	89_W	1.332	0.26
98_R	126_R	1.322	0.25
28_V	37_S	1.322	0.25
63_R	113_A	1.316	0.25
40_P	119_A	1.315	0.25
112_A	127_I	1.310	0.25
46_L	91_I	1.301	0.25
27_A	32_M	1.285	0.24
64_Q	71_M	1.278	0.24
2_V	5_Q	1.277	0.24
42_W	112_A	1.276	0.24
34_W	69_L	1.273	0.24
67_I	116_M	1.210	0.22
13_R	16_W	1.208	0.22
42_W	115_S	1.207	0.22
67_I	75_L	1.199	0.22
59_R	74_R	1.175	0.21
111_L	116_M	1.167	0.21
33_P	42_W	1.157	0.21
33_P	50_V	1.142	0.21
60_I	115_S	1.137	0.21
67_I	84_I	1.133	0.20
12_W	19_L	1.121	0.20
6_S	35_P	1.102	0.20
44_V	50_V	1.074	0.19
58_R	116_M	1.069	0.19
52_D	123_D	1.060	0.19
34_W	88_P	1.051	0.19
3_L	16_W	1.048	0.19
27_A	113_A	1.042	0.18
80_Q	118_E	1.041	0.18
41_L	44_V	1.035	0.18
9_R	47_S	1.029	0.18
69_L	84_I	0.993	0.17
6_S	11_S	0.984	0.17
31_L	58_R	0.980	0.17
23_G	42_W	0.979	0.17
22_H	64_Q	0.977	0.17
63_R	96_M	0.974	0.17
3_L	12_W	0.968	0.17
14_A	67_I	0.954	0.17
62_A	91_I	0.953	0.17
41_L	103_G	0.950	0.16
15_Q	18_S	0.945	0.16
22_H	56_S	0.943	0.16
19_L	38_Y	0.937	0.16
9_R	55_R	0.935	0.16
35_P	48_L	0.933	0.16
45_L	128_L	0.925	0.16
69_L	122_R	0.924	0.16
6_S	16_W	0.898	0.15
32_M	105_K	0.895	0.15
49_V	128_L	0.877	0.15
59_R	79_G	0.868	0.15
60_I	112_A	0.843	0.14
40_P	90_M	0.837	0.14
3_L	18_S	0.829	0.14
70_L	103_G	0.825	0.14
10_V	115_S	0.816	0.14
24_L	91_I	0.809	0.14
23_G	55_R	0.805	0.14
23_G	56_S	0.805	0.14
46_L	49_V	0.804	0.14
38_Y	66_E	0.792	0.14
79_G	125_R	0.792	0.14
58_R	93_S	0.788	0.14
2_V	52_D	0.786	0.13
51_F	66_E	0.782	0.13
4_W	15_Q	0.779	0.13
53_C	59_R	0.775	0.13
6_S	108_H	0.774	0.13
47_S	52_D	0.772	0.13
76_R	80_Q	0.766	0.13
3_L	21_I	0.765	0.13
23_G	30_L	0.755	0.13
40_P	64_Q	0.750	0.13
47_S	51_F	0.746	0.13
38_Y	51_F	0.739	0.13
101_S	106_R	0.737	0.13
21_I	48_L	0.734	0.13
30_L	56_S	0.733	0.13
15_Q	23_G	0.731	0.13
56_S	60_I	0.730	0.13
95_M	120_E	0.727	0.13
43_M	112_A	0.727	0.13
43_M	94_G	0.723	0.12
41_L	64_Q	0.721	0.12
29_I	51_F	0.718	0.12
9_R	115_S	0.717	0.12
22_H	47_S	0.712	0.12
15_Q	62_A	0.709	0.12
14_A	93_S	0.697	0.12
52_D	61_N	0.685	0.12
44_V	53_C	0.672	0.12
103_G	116_M	0.666	0.12
71_M	80_Q	0.665	0.12
61_N	67_I	0.664	0.12
42_W	56_S	0.655	0.11
29_I	107_Q	0.654	0.11
49_V	81_E	0.652	0.11
29_I	66_E	0.649	0.11
41_L	61_N	0.645	0.11
104_G	107_Q	0.642	0.11
29_I	54_V	0.642	0.11
104_G	113_A	0.638	0.11
77_W	110_W	0.634	0.11
77_W	114_D	0.634	0.11
110_W	114_D	0.634	0.11
49_V	97_L	0.633	0.11
32_M	79_G	0.632	0.11
94_G	127_I	0.630	0.11
25_V	47_S	0.627	0.11
70_L	101_S	0.627	0.11
3_L	19_L	0.622	0.11
54_V	123_D	0.611	0.11
2_V	81_E	0.602	0.11
14_A	59_R	0.599	0.11
86_K	127_I	0.595	0.11
46_L	95_M	0.593	0.11
8_L	116_M	0.590	0.10
73_G	95_M	0.589	0.10
10_V	13_R	0.589	0.10
74_R	81_E	0.585	0.10
48_L	51_F	0.582	0.10
18_S	22_H	0.580	0.10
50_V	123_D	0.579	0.10
111_L	125_R	0.574	0.10
112_A	115_S	0.570	0.10
35_P	109_L	0.566	0.10
17_L	24_L	0.563	0.10
79_G	111_L	0.563	0.10
71_M	83_S	0.563	0.10
41_L	58_R	0.562	0.10
2_V	13_R	0.560	0.10
82_W	110_W	0.554	0.10
82_W	114_D	0.554	0.10
77_W	82_W	0.554	0.10
97_L	124_L	0.553	0.10
20_L	88_P	0.552	0.10
3_L	86_K	0.551	0.10
11_S	14_A	0.546	0.10
90_M	101_S	0.545	0.10
63_R	79_G	0.543	0.10
2_V	6_S	0.541	0.10
12_W	42_W	0.541	0.10
43_M	103_G	0.540	0.10
8_L	100_R	0.538	0.10
34_W	99_L	0.536	0.10
59_R	125_R	0.535	0.10
11_S	15_Q	0.533	0.10
2_V	130_Q	0.532	0.10
12_W	60_I	0.529	0.10
25_V	59_R	0.525	0.10
111_L	124_L	0.523	0.10
30_L	89_W	0.512	0.09
42_W	50_V	0.511	0.09
80_Q	102_D	0.500	0.09

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
2kluA	1	0.4963	3.6	0.964	Contact Map
2micA	2	0.2963	1.7	0.969	Contact Map
4gh4D	3	0.2222	1.6	0.97	Contact Map
2l2tA	2	0.3259	1.5	0.971	Contact Map
2m20A	2	0.4444	1.4	0.971	Contact Map
2it9A	2	0.3926	1.4	0.971	Contact Map
2ks1B	1	0.3259	1.2	0.972	Contact Map
2nvnA	2	0.4	1.1	0.973	Contact Map
2rddB	1	0.2593	1.1	0.973	Contact Map
4b2kA	5	0.1111	1	0.973	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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