CAS1A - SULSO - GREMLIN Contacts

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CAS1A - CRISPR-associated endonuclease Cas1 1

UniProt:	Q97YC1	Sequences: MVHKVSQREFSRCYKRNCDCICRKPKQRRNVYLNYSLELLITIFKEVIPNLPMDKKIAFVKDYGAYLKVEKGLITCKIKNQVKWSIAPTELHSIVVLTNSSISSEVVKVANEYGIEIVFFNKHEPYAKLIPAKYAGSFKVWLKQLTAWKRRKVEFAKAFIYGKVHNQWVTLRYYERKYGYNLTSQELDRLAREITFVNTAEEVMQKEAEAAKVYWRGVKSLLPKSLGFKGRMKRVSDNLDPFNRALNIGYGMLRKVVWGAVISVGLNPYIGFLHKFRSGRISLVFDLMEEFRSPFVDRKLIGLARESADKVTDLKTVYSLFSDVKEDEIYTQARRLVNAILNDEEYRPYLAK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	352 (294)
Sequences:	2019 (1587)
Seq/√Len:	92.6

ECOLI - CAS1
SULSO - CAS1A CAS1B

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
249_G	296_V	5.893	1.00
164_V	210_A	4.978	1.00
146_T	149_K	3.788	1.00
194_I	203_V	3.711	1.00
68_K	77_K	3.033	1.00
162_G	348_P	2.838	1.00
143_K	146_T	2.835	1.00
249_G	300_L	2.809	1.00
107_V	117_I	2.627	1.00
254_R	288_M	2.603	1.00
142_L	276_F	2.438	1.00
232_M	239_L	2.436	1.00
88_P	115_I	2.427	1.00
141_W	267_N	2.362	1.00
201_E	204_M	2.357	1.00
147_A	340_I	2.305	1.00
109_V	113_Y	2.304	1.00
257_V	329_I	2.264	1.00
236_S	247_N	2.241	1.00
74_I	106_V	2.230	1.00
111_N	128_K	2.221	1.00
253_L	296_V	2.196	1.00
158_A	348_P	2.142	1.00
164_V	194_I	2.107	1.00
88_P	109_V	2.100	1.00
95_V	120_F	2.030	1.00
245_A	304_A	2.021	1.00
280_R	285_F	2.001	1.00
205_Q	208_A	1.990	1.00
257_V	288_M	1.988	1.00
67_L	106_V	1.985	1.00
96_V	100_S	1.948	1.00
69_V	109_V	1.930	1.00
198_N	202_E	1.930	1.00
66_Y	101_S	1.887	1.00
323_D	331_T	1.883	1.00
147_A	151_R	1.860	1.00
199_T	202_E	1.816	1.00
173_Y	298_R	1.792	1.00
155_F	159_F	1.789	1.00
242_F	300_L	1.774	1.00
138_F	270_I	1.742	1.00
73_L	85_S	1.702	1.00
186_E	213_V	1.698	1.00
153_V	157_K	1.668	1.00
235_V	247_N	1.656	1.00
245_A	309_D	1.648	1.00
142_L	148_W	1.641	1.00
245_A	300_L	1.639	1.00
66_Y	103_S	1.632	1.00
94_I	110_A	1.621	1.00
120_F	263_S	1.613	1.00
106_V	110_A	1.597	1.00
158_A	345_E	1.581	1.00
164_V	187_L	1.567	1.00
241_P	316_T	1.560	1.00
153_V	203_V	1.556	1.00
200_A	204_M	1.546	1.00
153_V	197_V	1.545	1.00
58_A	94_I	1.540	1.00
167_Q	211_A	1.522	1.00
261_V	284_V	1.516	1.00
143_K	147_A	1.504	1.00
74_I	88_P	1.499	1.00
190_L	213_V	1.490	1.00
225_S	311_V	1.488	1.00
287_L	333_A	1.486	1.00
242_F	304_A	1.476	1.00
78_I	83_K	1.475	1.00
214_Y	297_D	1.460	1.00
59_F	97_L	1.444	1.00
62_D	78_I	1.437	0.99
75_T	85_S	1.433	0.99
70_E	85_S	1.427	0.99
74_I	110_A	1.422	0.99
290_E	332_Q	1.420	0.99
74_I	94_I	1.414	0.99
183_T	220_S	1.394	0.99
168_W	187_L	1.386	0.99
183_T	217_G	1.367	0.99
241_P	311_V	1.364	0.99
263_S	330_Y	1.356	0.99
65_A	76_C	1.348	0.99
167_Q	293_S	1.343	0.99
65_A	78_I	1.341	0.99
258_W	284_V	1.331	0.99
154_E	345_E	1.328	0.99
261_V	333_A	1.315	0.99
164_V	191_A	1.283	0.99
260_A	333_A	1.265	0.99
200_A	275_K	1.259	0.99
219_K	240_D	1.254	0.99
204_M	273_L	1.252	0.99
172_R	184_S	1.242	0.98
99_N	105_E	1.238	0.98
291_F	328_E	1.236	0.98
64_G	100_S	1.229	0.98
183_T	213_V	1.228	0.98
58_A	91_L	1.223	0.98
82_V	85_S	1.221	0.98
254_R	285_F	1.218	0.98
174_Y	221_L	1.217	0.98
261_V	287_L	1.213	0.98
141_W	145_L	1.210	0.98
163_K	297_D	1.205	0.98
153_V	199_T	1.200	0.98
168_W	188_D	1.199	0.98
160_I	273_L	1.198	0.98
212_K	216_R	1.186	0.98
226_L	304_A	1.179	0.98
219_K	227_G	1.174	0.98
302_G	308_A	1.173	0.98
209_E	212_K	1.144	0.97
63_Y	99_N	1.143	0.97
110_A	117_I	1.141	0.97
161_Y	195_T	1.140	0.97
314_L	321_F	1.132	0.97
189_R	193_E	1.132	0.97
168_W	184_S	1.129	0.97
256_V	326_E	1.119	0.97
78_I	81_Q	1.119	0.97
94_I	117_I	1.102	0.97
169_V	172_R	1.097	0.97
72_G	113_Y	1.093	0.97
296_V	300_L	1.091	0.97
165_H	350_L	1.088	0.96
57_I	95_V	1.087	0.96
88_P	113_Y	1.084	0.96
63_Y	98_T	1.083	0.96
168_W	191_A	1.080	0.96
288_M	292_R	1.080	0.96
170_T	293_S	1.076	0.96
159_F	290_E	1.076	0.96
253_L	288_M	1.076	0.96
152_K	275_K	1.075	0.96
151_R	154_E	1.075	0.96
142_L	149_K	1.071	0.96
250_Y	297_D	1.065	0.96
172_R	188_D	1.062	0.96
159_F	162_G	1.057	0.96
190_L	206_K	1.055	0.96
88_P	110_A	1.047	0.96
156_A	200_A	1.041	0.95
187_L	210_A	1.037	0.95
121_N	125_P	1.028	0.95
69_V	88_P	1.025	0.95
218_V	242_F	1.025	0.95
160_I	203_V	1.023	0.95
161_Y	194_I	1.017	0.95
155_F	158_A	1.012	0.95
222_L	242_F	1.011	0.95
290_E	346_Y	0.998	0.94
272_F	336_L	0.997	0.94
93_S	116_E	0.993	0.94
249_G	299_K	0.993	0.94
281_I	285_F	0.990	0.94
58_A	74_I	0.989	0.94
186_E	189_R	0.988	0.94
310_K	313_D	0.984	0.94
118_V	255_K	0.977	0.94
264_V	333_A	0.973	0.93
208_A	289_E	0.971	0.93
127_A	131_P	0.964	0.93
211_A	297_D	0.963	0.93
190_L	209_E	0.960	0.93
142_L	145_L	0.956	0.93
246_L	300_L	0.950	0.93
102_I	106_V	0.949	0.93
160_I	194_I	0.949	0.93
77_K	82_V	0.947	0.93
63_Y	122_K	0.944	0.92
155_F	336_L	0.938	0.92
138_F	145_L	0.937	0.92
168_W	172_R	0.937	0.92
206_K	209_E	0.934	0.92
330_Y	334_R	0.931	0.92
213_V	216_R	0.922	0.92
157_K	197_V	0.919	0.91
258_W	281_I	0.914	0.91
74_I	115_I	0.914	0.91
254_R	281_I	0.906	0.91
170_T	174_Y	0.905	0.91
235_V	244_R	0.894	0.90
165_H	191_A	0.883	0.90
75_T	82_V	0.882	0.90
175_E	184_S	0.881	0.90
209_E	213_V	0.879	0.89
163_K	211_A	0.876	0.89
170_T	301_I	0.876	0.89
246_L	250_Y	0.871	0.89
190_L	210_A	0.870	0.89
153_V	194_I	0.865	0.89
294_P	325_K	0.862	0.89
163_K	265_G	0.856	0.88
139_K	143_K	0.856	0.88
102_I	107_V	0.850	0.88
157_K	194_I	0.848	0.88
171_L	217_G	0.846	0.88
68_K	103_S	0.843	0.87
156_A	273_L	0.843	0.87
163_K	292_R	0.838	0.87
171_L	184_S	0.833	0.87
309_D	313_D	0.830	0.87
151_R	339_A	0.828	0.86
314_L	318_Y	0.825	0.86
108_K	127_A	0.825	0.86
254_R	258_W	0.820	0.86
185_Q	188_D	0.820	0.86
339_A	342_N	0.817	0.86
175_E	179_G	0.810	0.85
68_K	75_T	0.809	0.85
57_I	93_S	0.806	0.85
204_M	275_K	0.805	0.85
154_E	157_K	0.804	0.85
328_E	349_Y	0.799	0.84
222_L	304_A	0.797	0.84
148_W	152_K	0.796	0.84
215_W	250_Y	0.795	0.84
260_A	264_V	0.787	0.84
155_F	339_A	0.787	0.84
234_R	285_F	0.787	0.84
158_A	161_Y	0.785	0.83
93_S	118_V	0.784	0.83
107_V	119_F	0.782	0.83
233_K	247_N	0.774	0.83
141_W	278_S	0.774	0.83
136_G	277_R	0.772	0.82
140_V	340_I	0.771	0.82
161_Y	191_A	0.769	0.82
171_L	214_Y	0.768	0.82
72_G	109_V	0.766	0.82
142_L	275_K	0.766	0.82
232_M	240_D	0.762	0.82
163_K	250_Y	0.760	0.81
269_Y	281_I	0.757	0.81
337_V	341_L	0.754	0.81
96_V	119_F	0.753	0.81
183_T	216_R	0.753	0.81
289_E	292_R	0.752	0.81
171_L	183_T	0.751	0.81
143_K	341_L	0.749	0.80
194_I	197_V	0.746	0.80
150_R	196_F	0.746	0.80
74_I	91_L	0.744	0.80
101_S	105_E	0.744	0.80
136_G	278_S	0.743	0.80
233_K	236_S	0.742	0.80
173_Y	301_I	0.741	0.80
56_K	90_E	0.740	0.80
89_T	113_Y	0.740	0.80
282_S	285_F	0.739	0.80
138_F	142_L	0.738	0.79
140_V	278_S	0.737	0.79
56_K	76_C	0.737	0.79
325_K	328_E	0.733	0.79
154_E	158_A	0.730	0.79
69_V	106_V	0.730	0.79
264_V	334_R	0.729	0.79
150_R	154_E	0.726	0.78
240_D	318_Y	0.726	0.78
197_V	202_E	0.724	0.78
136_G	267_N	0.723	0.78
158_A	162_G	0.721	0.78
302_G	306_E	0.721	0.78
253_L	257_V	0.718	0.78
191_A	194_I	0.715	0.77
333_A	337_V	0.711	0.77
157_K	161_Y	0.709	0.77
112_E	132_A	0.708	0.77
264_V	330_Y	0.707	0.77
172_R	176_R	0.706	0.76
314_L	319_S	0.704	0.76
174_Y	301_I	0.703	0.76
327_D	330_Y	0.703	0.76
336_L	340_I	0.701	0.76
94_I	115_I	0.699	0.76
105_E	108_K	0.699	0.76
159_F	272_F	0.698	0.76
108_K	112_E	0.697	0.75
106_V	109_V	0.697	0.75
152_K	200_A	0.696	0.75
257_V	287_L	0.696	0.75
153_V	275_K	0.693	0.75
206_K	213_V	0.693	0.75
257_V	333_A	0.690	0.75
314_L	317_V	0.684	0.74
167_Q	292_R	0.683	0.74
257_V	260_A	0.682	0.74
140_V	341_L	0.680	0.74
143_K	151_R	0.676	0.73
173_Y	176_R	0.675	0.73
159_F	273_L	0.672	0.73
201_E	205_Q	0.670	0.73
251_G	255_K	0.669	0.72
241_P	314_L	0.664	0.72
114_G	264_V	0.663	0.72
186_E	209_E	0.658	0.71
197_V	206_K	0.656	0.71
63_Y	105_E	0.654	0.71
88_P	106_V	0.654	0.71
249_G	253_L	0.653	0.71
270_I	276_F	0.652	0.71
197_V	203_V	0.650	0.70
118_V	129_L	0.649	0.70
94_I	224_K	0.649	0.70
170_T	298_R	0.647	0.70
115_I	213_V	0.645	0.70
192_R	195_T	0.635	0.69
165_H	169_V	0.634	0.68
112_E	240_D	0.634	0.68
248_I	251_G	0.632	0.68
246_L	292_R	0.630	0.68
148_W	275_K	0.629	0.68
107_V	111_N	0.629	0.68
226_L	244_R	0.629	0.68
208_A	314_L	0.628	0.68
138_F	276_F	0.626	0.67
295_F	325_K	0.625	0.67
116_E	128_K	0.624	0.67
130_I	281_I	0.624	0.67
313_D	318_Y	0.623	0.67
79_K	213_V	0.623	0.67
183_T	188_D	0.619	0.67
285_F	288_M	0.618	0.66
66_Y	110_A	0.614	0.66
223_P	227_G	0.614	0.66
158_A	350_L	0.613	0.66
260_A	263_S	0.609	0.65
81_Q	84_W	0.609	0.65
180_Y	202_E	0.608	0.65
287_L	340_I	0.608	0.65
79_K	82_V	0.607	0.65
232_M	236_S	0.606	0.65
203_V	227_G	0.606	0.65
137_S	280_R	0.605	0.65
338_N	343_D	0.605	0.65
230_G	242_F	0.603	0.65
265_G	337_V	0.602	0.64
271_G	276_F	0.601	0.64
74_I	256_V	0.599	0.64
129_L	262_I	0.598	0.64
299_K	303_L	0.596	0.64
219_K	229_K	0.596	0.64
251_G	291_F	0.595	0.64
226_L	245_A	0.594	0.63
86_I	94_I	0.594	0.63
194_I	210_A	0.593	0.63
127_A	130_I	0.592	0.63
324_V	327_D	0.591	0.63
262_I	268_P	0.591	0.63
202_E	206_K	0.590	0.63
86_I	229_K	0.588	0.63
317_V	320_L	0.587	0.63
90_E	216_R	0.586	0.62
159_F	346_Y	0.586	0.62
274_H	289_E	0.584	0.62
156_A	204_M	0.581	0.62
63_Y	100_S	0.580	0.62
264_V	337_V	0.579	0.61
232_M	241_P	0.578	0.61
145_L	270_I	0.573	0.61
193_E	224_K	0.573	0.61
147_A	339_A	0.571	0.60
141_W	269_Y	0.570	0.60
185_Q	189_R	0.570	0.60
298_R	305_R	0.569	0.60
130_I	135_A	0.568	0.60
98_T	314_L	0.566	0.60
236_S	314_L	0.563	0.59
298_R	303_L	0.562	0.59
317_V	321_F	0.562	0.59
291_F	333_A	0.561	0.59
161_Y	203_V	0.560	0.59
163_K	167_Q	0.560	0.59
163_K	289_E	0.556	0.58
205_Q	242_F	0.556	0.58
222_L	306_E	0.555	0.58
191_A	195_T	0.555	0.58
128_K	131_P	0.554	0.58
57_I	252_M	0.551	0.58
90_E	113_Y	0.550	0.58
323_D	328_E	0.550	0.58
194_I	206_K	0.550	0.58
260_A	330_Y	0.550	0.58
156_A	283_L	0.549	0.57
157_K	195_T	0.548	0.57
60_V	65_A	0.547	0.57
230_G	240_D	0.547	0.57
189_R	197_V	0.546	0.57
217_G	220_S	0.546	0.57
267_N	271_G	0.546	0.57
207_E	274_H	0.545	0.57
111_N	127_A	0.545	0.57
248_I	255_K	0.544	0.57
70_E	75_T	0.543	0.57
155_F	272_F	0.543	0.57
332_Q	346_Y	0.543	0.57
173_Y	233_K	0.542	0.56
211_A	292_R	0.542	0.56
225_S	241_P	0.540	0.56
140_V	280_R	0.538	0.56
269_Y	276_F	0.536	0.56
323_D	327_D	0.536	0.56
141_W	279_G	0.536	0.56
116_E	259_G	0.535	0.56
110_A	115_I	0.535	0.56
150_R	202_E	0.533	0.55
339_A	343_D	0.531	0.55
121_N	128_K	0.531	0.55
218_V	226_L	0.530	0.55
188_D	192_R	0.525	0.54
103_S	163_K	0.523	0.54
265_G	292_R	0.521	0.54
104_S	119_F	0.521	0.54
267_N	278_S	0.521	0.54
247_N	285_F	0.520	0.53
311_V	315_K	0.518	0.53
157_K	203_V	0.518	0.53
266_L	283_L	0.518	0.53
102_I	119_F	0.516	0.53
211_A	250_Y	0.515	0.53
172_R	325_K	0.515	0.53
103_S	265_G	0.515	0.53
98_T	313_D	0.513	0.52
304_A	309_D	0.513	0.52
139_K	277_R	0.513	0.52
102_I	117_I	0.513	0.52
235_V	314_L	0.512	0.52
137_S	141_W	0.510	0.52
141_W	280_R	0.508	0.52
143_K	340_I	0.508	0.52
148_W	270_I	0.507	0.52
233_K	320_L	0.507	0.52
195_T	199_T	0.506	0.51
166_N	298_R	0.505	0.51
309_D	314_L	0.504	0.51
171_L	310_K	0.504	0.51
100_S	104_S	0.502	0.51
145_L	267_N	0.501	0.51
256_V	329_I	0.500	0.51
159_F	297_D	0.500	0.51

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
4n06A	2	0.8438	100	0.249	Contact Map
4wj0A	2	0.8097	100	0.261	Contact Map
4xtkA	2	0.8324	100	0.269	Contact Map
2yzsA	4	0.7898	100	0.282	Contact Map
4w8kA	2	0.821	100	0.367	Contact Map
3godA	4	0.8438	100	0.433	Contact Map
3nkdA	2	0.7159	100	0.46	Contact Map
3nkeA	3	0.5028	100	0.614	Contact Map
4ujqJ	1	0.5455	20.1	0.969	Contact Map
3zf7x	1	0.5511	11.4	0.972	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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