CAS1B - SULSO - GREMLIN Contacts

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CAS1B - CRISPR-associated endonuclease Cas1 2

UniProt:	Q97Y84	Sequences: MISVRTLVISEYGAYVYVKKNMLVIKKGDKKVEISPSEVDEILITVSCSISTSALSLALTHGISVMFLNSRETPWGILLPSIVTETVKTKKAQYEAIVVRKDNRYGEEIISSKIYNQSVHLKYWARVTGTKNDYKELLDKDEPAAARVYWQNISQLLPKDIGFDGRDVDGTDQFNMALNYSYAILYNTIFKYLVIAGLDPYLGFIHKDRPGNESLVYDFSEMFKPYIDFLLVRALRSGFRLKVKGGLIEENSRGDLAKLIRKGMEENVKEESDHNPKTLIQAIRAHAVKLASSIREGKEYRGFKLVM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	307 (294)
Sequences:	2018 (1560)
Seq/√Len:	91.0

ECOLI - CAS1
SULSO - CAS1B CAS1A

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
114_I	145_A	5.405	1.00
181_S	227_I	5.311	1.00
181_S	256_L	4.907	1.00
95_E	98_V	3.032	1.00
249_E	252_S	3.021	1.00
238_G	252_S	3.019	1.00
17_Y	26_K	2.973	1.00
238_G	255_D	2.955	1.00
59_L	76_G	2.876	1.00
55_L	65_V	2.843	1.00
36_P	63_I	2.808	1.00
186_Y	220_S	2.574	1.00
238_G	249_E	2.535	1.00
167_D	171_T	2.512	1.00
92_A	95_E	2.440	1.00
57_L	61_H	2.394	1.00
184_I	260_I	2.364	1.00
170_G	179_N	2.303	1.00
189_I	220_S	2.298	1.00
248_I	252_S	2.249	1.00
136_E	139_D	2.230	1.00
188_T	260_I	2.210	1.00
91_K	208_D	2.208	1.00
181_S	231_L	2.198	1.00
269_K	276_P	2.157	1.00
16_V	54_A	2.080	1.00
36_P	57_L	2.002	1.00
185_L	227_I	1.972	1.00
23_L	54_A	1.956	1.00
177_A	235_L	1.946	1.00
277_K	285_A	1.946	1.00
140_K	143_P	1.916	1.00
18_V	57_L	1.882	1.00
96_A	294_I	1.880	1.00
134_Y	137_L	1.879	1.00
212_N	217_Y	1.871	1.00
43_L	68_L	1.848	1.00
123_Y	229_F	1.846	1.00
15_Y	49_S	1.805	1.00
259_L	262_K	1.791	1.00
91_K	97_I	1.790	1.00
258_K	262_K	1.766	1.00
87_V	202_L	1.755	1.00
27_K	32_V	1.748	1.00
105_Y	109_I	1.743	1.00
263_G	266_E	1.709	1.00
193_L	216_V	1.705	1.00
174_F	231_L	1.702	1.00
90_K	199_D	1.675	1.00
22_M	33_E	1.674	1.00
44_I	48_C	1.674	1.00
42_I	58_A	1.641	1.00
117_Q	146_A	1.639	1.00
103_N	107_E	1.633	1.00
7_L	42_I	1.614	1.00
133_D	137_L	1.595	1.00
103_N	138_L	1.593	1.00
96_A	101_K	1.592	1.00
135_K	139_D	1.572	1.00
177_A	231_L	1.555	1.00
68_L	195_I	1.554	1.00
149_Y	228_D	1.553	1.00
174_F	235_L	1.539	1.00
8_V	45_T	1.526	1.00
15_Y	51_S	1.522	1.00
56_S	75_W	1.499	1.00
250_E	254_G	1.488	1.00
219_F	287_A	1.461	1.00
23_L	36_P	1.457	1.00
92_A	96_A	1.433	0.99
173_Q	241_L	1.427	0.99
234_A	259_L	1.423	0.99
108_E	299_E	1.422	0.99
222_M	286_H	1.410	0.99
54_A	58_A	1.389	0.99
231_L	256_L	1.387	0.99
42_I	65_V	1.385	0.99
238_G	248_I	1.374	0.99
190_F	216_V	1.354	0.99
23_L	42_I	1.352	0.99
23_L	58_A	1.347	0.99
11_E	27_K	1.347	0.99
161_I	235_L	1.341	0.99
117_Q	225_P	1.341	0.99
19_K	33_E	1.327	0.99
269_K	274_H	1.315	0.99
14_A	25_I	1.300	0.99
284_R	288_V	1.298	0.99
262_K	265_E	1.283	0.99
69_N	73_T	1.283	0.99
189_I	283_I	1.271	0.99
135_K	207_K	1.270	0.99
268_V	282_A	1.266	0.99
275_N	281_Q	1.262	0.99
10_S	257_A	1.262	0.99
12_Y	46_V	1.251	0.98
14_A	27_K	1.249	0.98
24_V	33_E	1.248	0.98
195_I	284_R	1.247	0.98
13_G	48_C	1.238	0.98
65_V	78_L	1.226	0.98
139_D	205_I	1.222	0.98
113_K	228_D	1.218	0.98
193_L	287_A	1.217	0.98
144_A	147_R	1.213	0.98
267_N	276_P	1.207	0.98
260_I	264_M	1.197	0.98
186_Y	217_Y	1.197	0.98
104_R	299_E	1.189	0.98
222_M	300_Y	1.188	0.98
147_R	151_Q	1.178	0.98
120_H	225_P	1.176	0.98
261_R	280_I	1.172	0.98
66_M	77_I	1.169	0.98
223_F	282_A	1.168	0.98
58_A	65_V	1.168	0.98
7_L	39_V	1.161	0.97
36_P	58_A	1.153	0.97
103_N	134_Y	1.146	0.97
103_N	132_N	1.144	0.97
91_K	94_Y	1.138	0.97
109_I	112_S	1.132	0.97
154_S	172_D	1.130	0.97
241_L	246_G	1.128	0.97
220_S	224_K	1.116	0.97
110_I	205_I	1.108	0.97
101_K	104_R	1.107	0.97
121_L	152_N	1.107	0.97
184_I	257_A	1.099	0.96
47_S	53_S	1.095	0.96
180_Y	256_L	1.094	0.96
180_Y	257_A	1.091	0.96
234_A	255_D	1.090	0.96
180_Y	253_R	1.066	0.96
124_W	156_L	1.060	0.96
26_K	31_K	1.060	0.96
148_V	151_Q	1.058	0.96
143_P	221_E	1.056	0.96
178_L	231_L	1.044	0.95
154_S	162_G	1.040	0.95
6_T	43_L	1.037	0.95
85_E	210_P	1.037	0.95
18_V	36_P	1.031	0.95
12_Y	70_S	1.023	0.95
157_L	174_F	1.020	0.95
193_L	219_F	1.017	0.95
250_E	253_R	1.016	0.95
279_L	282_A	1.009	0.94
23_L	63_I	1.009	0.94
227_I	231_L	1.002	0.94
64_S	77_I	0.995	0.94
188_T	280_I	0.993	0.94
90_K	94_Y	0.992	0.94
102_D	207_K	0.988	0.94
66_M	187_N	0.986	0.94
50_I	54_A	0.984	0.94
109_I	222_M	0.982	0.94
21_N	61_H	0.969	0.93
118_S	122_K	0.968	0.93
153_I	174_F	0.967	0.93
113_K	197_G	0.966	0.93
144_A	148_V	0.965	0.93
141_D	144_A	0.961	0.93
113_K	146_A	0.954	0.92
105_Y	108_E	0.953	0.92
146_A	228_D	0.948	0.92
42_I	63_I	0.948	0.92
91_K	98_V	0.946	0.92
177_A	248_I	0.937	0.92
182_Y	228_D	0.937	0.92
270_E	285_A	0.933	0.92
41_E	64_S	0.915	0.91
119_V	122_K	0.912	0.91
113_K	224_K	0.908	0.91
105_Y	290_L	0.906	0.90
55_L	78_L	0.904	0.90
213_E	217_Y	0.904	0.90
124_W	232_V	0.903	0.90
106_G	205_I	0.903	0.90
274_H	297_G	0.902	0.90
185_L	220_S	0.895	0.90
36_P	61_H	0.895	0.90
226_Y	279_L	0.892	0.90
186_Y	213_E	0.889	0.90
12_Y	47_S	0.884	0.89
6_T	41_E	0.883	0.89
121_L	149_Y	0.873	0.89
181_S	230_L	0.869	0.89
17_Y	51_S	0.865	0.88
132_N	137_L	0.862	0.88
188_T	264_M	0.862	0.88
238_G	251_N	0.857	0.88
192_Y	196_A	0.856	0.88
21_N	57_L	0.848	0.87
214_S	217_Y	0.845	0.87
110_I	138_L	0.840	0.87
85_E	199_D	0.831	0.86
120_H	232_V	0.830	0.86
186_Y	190_F	0.822	0.86
171_T	245_G	0.821	0.86
178_L	182_Y	0.817	0.85
233_R	237_S	0.813	0.85
74_P	77_I	0.811	0.85
97_I	102_D	0.799	0.84
267_N	278_T	0.794	0.84
108_E	112_S	0.793	0.83
266_E	269_K	0.790	0.83
275_N	288_V	0.789	0.83
257_A	261_R	0.788	0.83
286_H	300_Y	0.788	0.83
120_H	124_W	0.787	0.83
108_E	111_S	0.784	0.83
259_L	266_E	0.784	0.83
281_Q	284_R	0.783	0.83
104_R	107_E	0.783	0.83
5_R	38_E	0.783	0.83
183_A	187_N	0.782	0.83
37_S	61_H	0.780	0.82
190_F	213_E	0.777	0.82
255_D	258_K	0.777	0.82
107_E	132_N	0.772	0.82
255_D	259_L	0.771	0.82
157_L	235_L	0.770	0.82
132_N	141_D	0.767	0.81
27_K	30_K	0.767	0.81
268_V	277_K	0.758	0.81
49_S	53_S	0.757	0.81
284_R	289_K	0.757	0.81
105_Y	293_S	0.757	0.81
270_E	289_K	0.752	0.80
291_A	295_R	0.751	0.80
18_V	54_A	0.749	0.80
50_I	55_L	0.748	0.80
23_L	39_V	0.747	0.80
173_Q	246_G	0.744	0.79
12_Y	48_C	0.744	0.79
168_V	179_N	0.744	0.79
287_A	291_A	0.742	0.79
270_E	277_K	0.741	0.79
9_I	14_A	0.740	0.79
100_R	103_N	0.739	0.79
148_V	159_K	0.739	0.79
139_D	207_K	0.737	0.79
28_G	148_V	0.733	0.78
56_S	60_T	0.733	0.78
197_G	291_A	0.732	0.78
177_A	256_L	0.725	0.78
24_V	31_K	0.724	0.78
176_M	246_G	0.722	0.77
115_Y	119_V	0.722	0.77
142_E	206_H	0.720	0.77
104_R	108_E	0.720	0.77
90_K	210_P	0.719	0.77
137_L	141_D	0.714	0.77
251_N	255_D	0.713	0.76
41_E	66_M	0.713	0.76
183_A	223_F	0.712	0.76
298_K	301_R	0.710	0.76
201_Y	216_V	0.708	0.76
166_R	172_D	0.707	0.76
34_I	42_I	0.707	0.76
150_W	182_Y	0.704	0.76
277_K	282_A	0.702	0.75
221_E	224_K	0.702	0.75
113_K	182_Y	0.699	0.75
12_Y	53_S	0.697	0.75
106_G	135_K	0.685	0.74
62_G	196_A	0.683	0.73
158_P	236_R	0.683	0.73
289_K	301_R	0.681	0.73
230_L	260_I	0.680	0.73
59_L	78_L	0.679	0.73
58_A	63_I	0.673	0.72
85_E	211_G	0.669	0.72
153_I	161_I	0.667	0.72
203_G	208_D	0.665	0.71
117_Q	224_K	0.665	0.71
169_D	205_I	0.664	0.71
120_H	229_F	0.662	0.71
50_I	65_V	0.660	0.71
55_L	67_F	0.659	0.71
158_P	161_I	0.658	0.71
92_A	101_K	0.658	0.71
201_Y	213_E	0.658	0.71
103_N	207_K	0.654	0.70
254_G	258_K	0.653	0.70
57_L	60_T	0.653	0.70
91_K	207_K	0.652	0.70
274_H	299_E	0.652	0.70
53_S	56_S	0.649	0.70
171_T	244_K	0.648	0.69
240_R	249_E	0.648	0.69
97_I	202_L	0.647	0.69
54_A	57_L	0.645	0.69
159_K	162_G	0.643	0.69
109_I	204_F	0.643	0.69
89_T	295_R	0.642	0.69
122_K	126_R	0.639	0.68
125_A	129_G	0.636	0.68
141_D	148_V	0.636	0.68
271_E	285_A	0.635	0.68
107_E	111_S	0.634	0.68
85_E	209_R	0.634	0.68
178_L	224_K	0.631	0.67
13_G	260_I	0.631	0.67
240_R	252_S	0.629	0.67
91_K	102_D	0.626	0.67
8_V	261_R	0.626	0.67
55_L	59_L	0.626	0.67
63_I	148_V	0.625	0.67
153_I	232_V	0.625	0.67
45_T	72_E	0.623	0.66
290_L	294_I	0.623	0.66
252_S	255_D	0.622	0.66
69_N	75_W	0.620	0.66
234_A	256_L	0.620	0.66
230_L	234_A	0.617	0.66
94_Y	202_L	0.616	0.66
246_G	253_R	0.613	0.65
136_E	140_K	0.612	0.65
106_G	109_I	0.611	0.65
100_R	135_K	0.608	0.65
181_S	185_L	0.608	0.65
38_E	151_Q	0.606	0.64
281_Q	285_A	0.604	0.64
87_V	91_K	0.603	0.64
251_N	254_G	0.602	0.64
51_S	54_A	0.602	0.64
217_Y	220_S	0.601	0.64
275_N	284_R	0.601	0.64
102_D	135_K	0.600	0.63
112_S	222_M	0.600	0.63
85_E	89_T	0.599	0.63
293_S	296_E	0.599	0.63
123_Y	127_V	0.598	0.63
60_T	172_D	0.595	0.63
202_L	208_D	0.594	0.63
23_L	92_A	0.593	0.63
53_S	70_S	0.593	0.63
278_T	281_Q	0.593	0.63
113_K	221_E	0.591	0.62
197_G	224_K	0.589	0.62
180_Y	183_A	0.589	0.62
101_K	105_Y	0.586	0.62
114_I	141_D	0.583	0.61
264_M	283_I	0.583	0.61
206_H	221_E	0.582	0.61
10_S	45_T	0.581	0.61
265_E	280_I	0.580	0.61
284_R	292_S	0.580	0.61
75_W	78_L	0.580	0.61
117_Q	149_Y	0.578	0.61
169_D	217_Y	0.576	0.60
185_L	260_I	0.573	0.60
116_N	229_F	0.572	0.60
283_I	301_R	0.572	0.60
7_L	23_L	0.572	0.60
146_A	182_Y	0.572	0.60
123_Y	126_R	0.571	0.60
95_E	204_F	0.570	0.60
106_G	215_L	0.569	0.59
97_I	207_K	0.569	0.59
168_V	225_P	0.569	0.59
85_E	90_K	0.567	0.59
263_G	279_L	0.566	0.59
204_F	290_L	0.564	0.59
199_D	210_P	0.563	0.59
144_A	296_E	0.562	0.58
146_A	224_K	0.561	0.58
173_Q	176_M	0.561	0.58
192_Y	287_A	0.561	0.58
157_L	161_I	0.559	0.58
15_Y	58_A	0.557	0.58
252_S	256_L	0.557	0.58
123_Y	232_V	0.553	0.57
66_M	74_P	0.553	0.57
19_K	24_V	0.552	0.57
35_S	38_E	0.551	0.57
154_S	165_G	0.548	0.57
76_G	153_I	0.548	0.57
17_Y	24_V	0.546	0.56
154_S	158_P	0.545	0.56
154_S	164_D	0.544	0.56
152_N	155_Q	0.543	0.56
203_G	216_V	0.542	0.56
67_F	78_L	0.542	0.56
256_L	259_L	0.541	0.56
74_P	194_V	0.540	0.56
126_R	152_N	0.540	0.56
87_V	94_Y	0.539	0.55
106_G	139_D	0.539	0.55
87_V	208_D	0.539	0.55
198_L	215_L	0.537	0.55
190_F	200_P	0.537	0.55
230_L	259_L	0.537	0.55
27_K	31_K	0.536	0.55
21_N	37_S	0.536	0.55
170_G	212_N	0.535	0.55
203_G	210_P	0.535	0.55
233_R	263_G	0.533	0.55
196_A	288_V	0.533	0.55
143_P	170_G	0.531	0.54
68_L	78_L	0.531	0.54
201_Y	208_D	0.530	0.54
9_I	122_K	0.530	0.54
94_Y	98_V	0.529	0.54
248_I	260_I	0.526	0.54
140_K	144_A	0.526	0.54
189_I	219_F	0.525	0.53
143_P	224_K	0.525	0.53
109_I	290_L	0.524	0.53
36_P	54_A	0.524	0.53
44_I	67_F	0.524	0.53
57_L	63_I	0.524	0.53
144_A	282_A	0.523	0.53
192_Y	195_I	0.521	0.53
92_A	171_T	0.519	0.53
9_I	54_A	0.517	0.52
153_I	158_P	0.516	0.52
271_E	294_I	0.516	0.52
280_I	283_I	0.515	0.52
132_N	138_L	0.513	0.52
89_T	294_I	0.510	0.51
242_K	247_L	0.510	0.51
240_R	247_L	0.509	0.51
164_D	171_T	0.509	0.51
109_I	205_I	0.509	0.51
113_K	117_Q	0.509	0.51
139_D	179_N	0.508	0.51
89_T	212_N	0.507	0.51
47_S	51_S	0.506	0.51
22_M	37_S	0.506	0.51
277_K	293_S	0.506	0.51
239_F	246_G	0.505	0.51
107_E	269_K	0.504	0.51
199_D	217_Y	0.503	0.50
97_I	204_F	0.502	0.50
189_I	192_Y	0.502	0.50
90_K	202_L	0.501	0.50
13_G	47_S	0.501	0.50
133_D	136_E	0.500	0.50

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
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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
4wj0A	2	0.9805	100	0.143	Contact Map
4n06A	2	0.9837	100	0.159	Contact Map
4xtkA	2	0.987	100	0.162	Contact Map
2yzsA	4	0.9739	100	0.166	Contact Map
4w8kA	2	0.8534	100	0.339	Contact Map
3godA	4	0.8795	100	0.398	Contact Map
3nkdA	2	0.8371	100	0.424	Contact Map
3nkeA	3	0.5896	100	0.575	Contact Map
1fw8A	1	0.2248	78.4	0.95	Contact Map
2iojA	1	0.2899	35.5	0.962	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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