ISP1 - BACSU - GREMLIN Contacts

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ISP1 - Major intracellular serine protease

UniProt:	P11018	Sequences: MNGEIRLIPYVTNEQIMDVNELPEGIKVIKAPEMWAKGVKGKNIKVAVLDTGCDTSHPDLKNQIIGGKNFTDDDGGKEDAISDYNGHGTHVAGTIAANDSNGGIAGVAPEASLLIVKVLGGENGSGQYEWIINGINYAVEQKVDIISMSLGGPSDVPELKEAVKNAVKNGVLVVCAAGNEGDGDERTEELSYPAAYNEVIAVGSVSVARELSEFSNANKEIDLVAPGENILSTLPNKKYGKLTGTSMAAPHVSGALALIKSYEEESFQRKLSESEVFAQLIRRTLPLDIAKTLAGNGFLYLTAPDELAEKAEQSHLLTL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	319 (272)
Sequences:	15611 (11139)
Seq/√Len:	675.4

BACSU - ISP1 SUBE WPRA SUBT SUBF APRX SUBV
HALSA - Q9HNT7 Q9HMF2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
119_L	126_G	3.225	1.00
40_K	110_E	3.168	1.00
255_A	301_L	2.847	1.00
203_G	224_V	2.844	1.00
234_L	240_G	2.769	1.00
255_A	299_L	2.572	1.00
46_V	95_I	2.454	1.00
204_S	212_S	2.443	1.00
204_S	214_F	2.397	1.00
280_L	300_Y	2.308	1.00
90_H	247_M	2.283	1.00
147_S	249_A	2.214	1.00
42_K	110_E	2.211	1.00
212_S	228_E	2.150	1.00
214_F	228_E	2.145	1.00
204_S	227_G	2.059	1.00
90_H	232_S	2.056	1.00
45_K	112_S	2.048	1.00
116_V	137_Y	2.016	1.00
267_F	270_K	2.004	1.00
164_K	198_E	1.986	1.00
94_T	251_H	1.939	1.00
172_L	200_I	1.933	1.00
93_G	232_S	1.931	1.00
194_A	201_A	1.919	1.00
45_K	114_L	1.909	1.00
278_A	304_P	1.903	1.00
93_G	233_T	1.877	1.00
172_L	256_L	1.868	1.00
48_V	95_I	1.848	1.00
39_V	261_S	1.846	1.00
144_D	260_K	1.829	1.00
91_V	250_P	1.788	1.00
259_I	304_P	1.786	1.00
136_N	165_N	1.782	1.00
234_L	242_L	1.770	1.00
91_V	147_S	1.728	1.00
302_T	306_E	1.715	1.00
96_A	113_L	1.707	1.00
260_K	271_L	1.700	1.00
137_Y	141_Q	1.676	1.00
46_V	257_A	1.666	1.00
116_V	134_G	1.644	1.00
157_P	161_E	1.640	1.00
136_N	140_E	1.637	1.00
273_E	277_F	1.612	1.00
28_V	209_R	1.607	1.00
107_V	254_G	1.604	1.00
25_G	251_H	1.601	1.00
83_D	86_G	1.589	1.00
147_S	253_S	1.582	1.00
256_L	271_L	1.579	1.00
84_Y	122_E	1.550	1.00
242_L	247_M	1.543	1.00
174_V	256_L	1.538	1.00
47_A	138_A	1.532	1.00
203_G	215_S	1.530	1.00
53_C	115_I	1.530	1.00
249_A	253_S	1.529	1.00
263_E	266_S	1.518	1.00
139_V	166_A	1.515	1.00
114_L	143_V	1.505	1.00
252_V	299_L	1.488	1.00
127_Q	130_W	1.483	1.00
272_S	276_V	1.472	1.00
174_V	252_V	1.458	1.00
160_K	164_K	1.458	1.00
44_I	260_K	1.453	1.00
47_A	143_V	1.443	1.00
266_S	274_S	1.428	1.00
176_A	249_A	1.424	1.00
205_V	224_V	1.423	1.00
175_C	199_V	1.423	1.00
174_V	249_A	1.421	1.00
90_H	242_L	1.418	1.00
145_I	253_S	1.408	1.00
49_L	118_V	1.407	1.00
203_G	221_I	1.403	1.00
164_K	168_K	1.373	1.00
204_S	228_E	1.360	1.00
177_A	201_A	1.354	1.00
205_V	298_F	1.342	1.00
139_V	171_V	1.324	1.00
46_V	111_A	1.319	1.00
206_S	228_E	1.313	1.00
30_K	300_Y	1.311	1.00
40_K	261_S	1.307	1.00
231_L	241_K	1.303	1.00
97_A	233_T	1.297	1.00
94_T	247_M	1.294	1.00
300_Y	303_A	1.289	1.00
48_V	91_V	1.287	1.00
256_L	275_E	1.285	1.00
209_R	298_F	1.284	1.00
33_E	302_T	1.260	1.00
167_V	198_E	1.253	1.00
63_Q	98_N	1.251	1.00
92_A	115_I	1.250	1.00
228_E	243_T	1.246	1.00
223_L	275_E	1.237	1.00
92_A	113_L	1.232	1.00
146_I	171_V	1.230	1.00
181_G	211_L	1.224	1.00
54_D	236_N	1.217	1.00
54_D	235_P	1.216	1.00
263_E	274_S	1.215	1.00
165_N	168_K	1.185	1.00
200_I	272_S	1.181	1.00
135_I	166_A	1.181	1.00
96_A	111_A	1.167	1.00
217_A	293_L	1.165	1.00
180_E	216_N	1.160	1.00
259_I	266_S	1.155	1.00
44_I	257_A	1.154	1.00
108_A	257_A	1.149	1.00
276_V	296_N	1.141	1.00
30_K	33_E	1.141	1.00
166_A	173_V	1.136	1.00
131_I	150_L	1.133	1.00
87_H	246_S	1.129	1.00
69_N	74_D	1.120	1.00
280_L	298_F	1.107	1.00
132_I	158_E	1.095	1.00
132_I	162_A	1.092	1.00
225_A	252_V	1.091	1.00
120_G	123_N	1.091	1.00
223_L	299_L	1.086	1.00
266_S	270_K	1.078	1.00
148_M	173_V	1.076	1.00
90_H	94_T	1.074	1.00
211_L	224_V	1.057	1.00
211_L	215_S	1.057	1.00
24_E	28_V	1.052	1.00
247_M	250_P	1.038	1.00
135_I	148_M	1.038	1.00
37_K	302_T	1.033	1.00
65_I	112_S	1.031	1.00
57_H	239_Y	1.029	1.00
50_D	87_H	1.027	1.00
26_I	31_A	1.026	1.00
172_L	271_L	1.023	1.00
62_N	98_N	1.019	1.00
262_Y	305_D	1.019	1.00
160_K	195_A	1.013	1.00
165_N	169_N	1.012	1.00
30_K	302_T	1.009	1.00
148_M	175_C	1.002	1.00
160_K	196_Y	1.001	1.00
189_E	220_E	0.997	1.00
291_K	296_N	0.995	1.00
279_Q	297_G	0.989	1.00
41_G	108_A	0.980	1.00
177_A	221_I	0.974	1.00
70_F	137_Y	0.972	1.00
202_V	252_V	0.971	1.00
43_N	112_S	0.971	1.00
28_V	205_V	0.968	1.00
170_G	260_K	0.966	1.00
172_L	268_Q	0.965	1.00
139_V	169_N	0.963	1.00
274_S	278_A	0.960	1.00
167_V	272_S	0.953	1.00
48_V	92_A	0.952	1.00
91_V	247_M	0.944	1.00
282_R	298_F	0.942	1.00
34_M	305_D	0.940	1.00
108_A	111_A	0.938	1.00
303_A	306_E	0.937	1.00
33_E	36_A	0.936	1.00
99_D	105_A	0.918	1.00
31_A	35_W	0.917	1.00
151_G	176_A	0.916	1.00
281_I	291_K	0.916	1.00
57_H	233_T	0.915	1.00
179_N	246_S	0.911	1.00
149_S	250_P	0.911	1.00
58_P	237_K	0.911	1.00
211_L	217_A	0.907	1.00
172_L	272_S	0.907	1.00
107_V	251_H	0.905	1.00
118_V	134_G	0.905	1.00
135_I	146_I	0.905	1.00
126_G	130_W	0.901	1.00
39_V	262_Y	0.900	1.00
27_K	32_P	0.894	1.00
290_A	296_N	0.890	1.00
53_C	92_A	0.888	1.00
202_V	223_L	0.883	1.00
146_I	173_V	0.877	1.00
118_V	150_L	0.876	1.00
97_A	104_I	0.870	1.00
223_L	279_Q	0.870	1.00
69_N	72_D	0.867	1.00
66_G	115_I	0.865	1.00
204_S	245_T	0.860	1.00
51_T	85_N	0.858	1.00
163_V	199_V	0.853	1.00
65_I	114_L	0.852	1.00
70_F	116_V	0.847	1.00
69_N	117_K	0.845	1.00
23_P	26_I	0.845	1.00
49_L	134_G	0.843	1.00
164_K	197_N	0.842	1.00
259_I	271_L	0.841	1.00
45_K	144_D	0.839	1.00
211_L	293_L	0.833	1.00
137_Y	140_E	0.830	1.00
59_D	239_Y	0.829	1.00
35_W	105_A	0.828	1.00
60_L	64_I	0.827	1.00
32_P	35_W	0.826	1.00
86_G	242_L	0.825	1.00
281_I	289_I	0.823	1.00
222_D	276_V	0.821	1.00
192_Y	196_Y	0.820	1.00
146_I	166_A	0.818	1.00
206_S	210_E	0.818	1.00
139_V	165_N	0.814	1.00
87_H	179_N	0.806	1.00
51_T	83_D	0.806	1.00
226_P	230_I	0.803	1.00
256_L	259_I	0.802	1.00
49_L	116_V	0.801	1.00
140_E	165_N	0.799	1.00
57_H	93_G	0.799	1.00
161_E	165_N	0.798	1.00
205_V	209_R	0.794	1.00
66_G	114_L	0.790	1.00
145_I	256_L	0.788	1.00
49_L	148_M	0.785	1.00
29_I	107_V	0.782	1.00
47_A	114_L	0.780	1.00
52_G	117_K	0.780	1.00
44_I	261_S	0.778	1.00
283_R	294_A	0.777	1.00
114_L	141_Q	0.775	1.00
167_V	269_R	0.775	1.00
192_Y	195_A	0.775	1.00
55_T	82_S	0.773	1.00
291_K	294_A	0.772	1.00
53_C	113_L	0.772	1.00
128_Y	152_G	0.770	1.00
34_M	37_K	0.769	1.00
260_K	264_E	0.767	1.00
258_L	301_L	0.763	1.00
232_S	247_M	0.762	1.00
116_V	141_Q	0.760	1.00
111_A	257_A	0.750	1.00
260_K	268_Q	0.748	1.00
128_Y	159_L	0.747	1.00
45_K	142_K	0.745	1.00
207_V	229_N	0.743	1.00
172_L	260_K	0.742	1.00
64_I	115_I	0.739	1.00
116_V	138_A	0.736	1.00
280_L	303_A	0.732	1.00
226_P	251_H	0.732	1.00
47_A	116_V	0.729	1.00
130_W	133_N	0.728	1.00
255_A	275_E	0.725	1.00
164_K	196_Y	0.724	1.00
37_K	306_E	0.718	1.00
211_L	294_A	0.715	1.00
59_D	233_T	0.715	1.00
138_A	146_I	0.711	1.00
129_E	133_N	0.709	1.00
44_I	144_D	0.708	1.00
223_L	276_V	0.708	1.00
35_W	109_P	0.707	1.00
53_C	60_L	0.705	1.00
55_T	64_I	0.698	1.00
95_I	254_G	0.697	1.00
135_I	163_V	0.696	1.00
83_D	117_K	0.695	1.00
174_V	253_S	0.693	1.00
61_K	98_N	0.692	1.00
29_I	251_H	0.692	1.00
214_F	243_T	0.689	1.00
273_E	276_V	0.689	1.00
229_N	243_T	0.686	1.00
133_N	136_N	0.686	1.00
246_S	250_P	0.685	1.00
157_P	160_K	0.685	1.00
32_P	36_A	0.679	1.00
54_D	58_P	0.674	1.00
180_E	191_S	0.672	1.00
38_G	41_G	0.672	1.00
170_G	268_Q	0.672	1.00
177_A	203_G	0.667	1.00
89_T	233_T	0.667	1.00
138_A	143_V	0.665	1.00
200_I	276_V	0.665	1.00
162_A	166_A	0.663	1.00
50_D	88_G	0.663	1.00
167_V	268_Q	0.662	1.00
161_E	164_K	0.661	1.00
145_I	172_L	0.661	1.00
268_Q	272_S	0.658	1.00
176_A	248_A	0.657	1.00
54_D	237_K	0.657	1.00
47_A	146_I	0.655	1.00
282_R	294_A	0.655	1.00
68_K	71_T	0.653	1.00
128_Y	132_I	0.652	1.00
138_A	166_A	0.651	1.00
145_I	174_V	0.649	1.00
250_P	253_S	0.648	1.00
200_I	256_L	0.643	1.00
281_I	284_T	0.643	1.00
57_H	60_L	0.642	1.00
259_I	263_E	0.636	1.00
39_V	258_L	0.634	1.00
120_G	125_S	0.632	1.00
108_A	258_L	0.631	1.00
45_K	143_V	0.630	1.00
274_S	304_P	0.628	1.00
118_V	131_I	0.625	1.00
196_Y	199_V	0.623	1.00
59_D	97_A	0.620	1.00
49_L	146_I	0.617	1.00
149_S	176_A	0.616	1.00
234_L	238_K	0.615	1.00
222_D	272_S	0.614	1.00
198_E	269_R	0.614	1.00
200_I	223_L	0.611	1.00
61_K	64_I	0.609	1.00
224_V	294_A	0.607	1.00
164_K	167_V	0.606	1.00
40_K	109_P	0.603	1.00
25_G	28_V	0.601	1.00
168_K	198_E	0.601	1.00
131_I	148_M	0.599	1.00
94_T	230_I	0.597	1.00
59_D	104_I	0.594	1.00
174_V	200_I	0.593	1.00
179_N	250_P	0.588	1.00
136_N	139_V	0.588	1.00
41_G	261_S	0.588	1.00
224_V	295_G	0.587	1.00
181_G	217_A	0.587	1.00
182_D	217_A	0.587	1.00
158_E	161_E	0.582	1.00
97_A	106_G	0.581	1.00
67_G	115_I	0.581	1.00
24_E	207_V	0.578	1.00
150_L	175_C	0.578	1.00
270_K	273_E	0.577	1.00
259_I	305_D	0.574	1.00
91_V	149_S	0.574	1.00
119_L	150_L	0.571	1.00
132_I	159_L	0.570	1.00
229_N	241_K	0.568	1.00
24_E	27_K	0.567	1.00
50_D	246_S	0.566	1.00
255_A	258_L	0.565	1.00
45_K	65_I	0.562	1.00
41_G	111_A	0.559	1.00
147_S	250_P	0.558	1.00
95_I	147_S	0.556	1.00
191_S	194_A	0.556	1.00
160_K	192_Y	0.556	1.00
23_P	28_V	0.555	1.00
160_K	198_E	0.555	1.00
155_D	160_K	0.553	1.00
252_V	275_E	0.552	1.00
86_G	234_L	0.552	1.00
290_A	293_L	0.551	1.00
200_I	275_E	0.549	1.00
162_A	165_N	0.546	1.00
251_H	255_A	0.545	1.00
67_G	70_F	0.542	1.00
56_S	82_S	0.541	1.00
269_R	273_E	0.540	1.00
218_N	222_D	0.540	1.00
99_D	109_P	0.539	1.00
221_I	224_V	0.539	1.00
33_E	37_K	0.534	1.00
204_S	243_T	0.531	1.00
190_L	220_E	0.531	1.00
274_S	277_F	0.528	1.00
84_Y	117_K	0.528	1.00
128_Y	131_I	0.528	1.00
147_S	174_V	0.527	1.00
29_I	226_P	0.526	1.00
146_I	150_L	0.526	1.00
167_V	196_Y	0.524	1.00
182_D	189_E	0.523	0.99
151_G	180_E	0.522	0.99
44_I	145_I	0.519	0.99
106_G	254_G	0.517	0.99
173_V	199_V	0.515	0.99
31_A	107_V	0.515	0.99
63_Q	112_S	0.515	0.99
126_G	131_I	0.513	0.99
258_L	261_S	0.512	0.99
201_A	222_D	0.510	0.99
181_G	216_N	0.510	0.99
145_I	257_A	0.508	0.99
43_N	261_S	0.508	0.99
27_K	30_K	0.507	0.99
218_N	221_I	0.507	0.99
85_N	242_L	0.506	0.99
29_I	301_L	0.506	0.99
209_R	280_L	0.504	0.99
50_D	179_N	0.503	0.99
60_L	233_T	0.501	0.99
54_D	234_L	0.500	0.99
69_N	73_D	0.500	0.99

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
4tr2A	2	0.9216	100	0.158	Contact Map
2x8jA	2	0.9373	100	0.158	Contact Map
1r6vA	1	0.9749	100	0.16	Contact Map
3whiA	2	0.9185	100	0.17	Contact Map
1to2E	1	0.8809	100	0.176	Contact Map
1r0rE	1	0.8589	100	0.176	Contact Map
1dbiA	1	0.8433	100	0.178	Contact Map
1gciA	1	0.8433	100	0.179	Contact Map
4lvnA	1	0.9122	100	0.179	Contact Map
2z30A	1	0.8934	100	0.184	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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