Q9HMW1 - HALSA - GREMLIN Contacts

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Q9HMW1 - Oligopeptide ABC transporter ATP-binding

UniProt:	Q9HMW1	Sequences: MDLTTLSETALQDVRGKRISHIFQNPQNGLNPVYTVGRQIGEAIRIHDHGDPEVPVQRQVVDLLDKTGIPEASARVDDYPHEFSGGMKQRVLIAMALACDPDLLIADEPTTALDVTIQGQILRLLEDLQAEHDMGIIFVTHDLGVVSEIADRVVVMYAGKVMETGTVEDIFRNPSHPYTRALMDCLPGRGGSMDRIEGSLPDVTDPPAGCRFSPRCEHATEACRSGDQPPLWGVDDGDTHEASCVYYDAEHDEGELADGEDATGGHQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	267 (218)
Sequences:	24928 (17182)
Seq/√Len:	1163.7

ECOLI - MALK POTG PROV POTA CYSA FBPC YCJV METN YDCT UGPC MODC DPPF OPPF DPPD OPPD SAPD YEHX YADG GSIA DDPD RBSA DDPF ARAG MACB FEPC MDLB CYDD YHES SAPF MDLA MLAF CYDC NIKE MSBA FECE UUP HISP FHUC YECC PHNC TAUB GLNQ YOJI LSRA YHDZ LPTB BTUD YTFR SSUB LIVG PHNK NIKD GLTL THIQ SUFC PSTB ARTP ETTA LIVF FTSE MODF LOLD YPHE YEJF XYLG FETA YBBA ZNUC MGLA ALSA CCMA PHNL YBHF YNJD YDDA YBIT
BACSU - OPUBA OPUAA YVRA OPUCA MSMX YURJ OPPD YKFD METN DPPD APPD APPF YFIL YHCH TAGH OPPF YHAQ YDBJ YCBN YHEH YVFR SUNT YKPA ECFA1 YXLF YUSV YFIC YFMF YFIB FHUC CYDC BMRA RBSA YGAD YFMM YKNV ECFA2 YKOD YWJA YCLP YKNU TCYN YDIF YHEI YTRB YFMR YLMA SUFC CYDD BCEA YXDL YVCR ECSA NATA GLNQ SKFE ARTM YTLC YXEO FTSE TCYC YJKB ALBC PSTB1 MNTB YVRO PSTB2 YKNY YTHP YCLH EXPZ SSUB YTRE ZNUC YHCG YYBJ YUFO YYDI
HALSA - Q9HMW1 Q9HMW0 Q9HMX3 BTUDA Q9HMX2 Q9HHQ5 Q9HNZ9 Q9HR06 Q9HMT3 Q9HMG1 Q9HRJ6 Q9HMU8 Q9HSQ7 Q9HS04 PSTB2 Q9HRH8 Q9HHM2 Q9HMG6 PHNC Q9HNY3 Q9HRV7 Y2317 Y1631 Q9HRZ9 PSTB1 Q9HR96 Q9HHR7 Q9HQA8 Q9HT03 Q9HR21 Q9HMC1
SULSO - Q97UF2 Q97UY8 Q97VF5 Q97YY4 Q97UH3 Q97UJ9 Q97ZC0 Q97VC1 Q7LX64 Q97VK9 Q97YP3 Q97VK8 Q97VF4 Q97YP7 Q97VH6 Q97YP8 Q980W0 Q97YK2 Q97X18 Q97U54 Q97UD4 Q97YQ7 Y2030 Q97UH4 Q97UG5 Q97Z03 Q97VY4 Q97VM2 Y1893 Q97W42 Q97V01 PSTB Q7LY07 Q97V00 Q7LXM4 Q7LX80 Q97Z56 Q97YP4 Q97Z96 Q97ZU0 Q980K5 Q980E6 Q97UC2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
18_R	102_D	3.840	1.00
152_R	164_T	3.606	1.00
154_V	161_V	3.374	1.00
66_K	132_H	3.305	1.00
166_T	169_D	3.038	1.00
59_Q	62_D	2.871	1.00
75_R	78_D	2.750	1.00
66_K	131_E	2.743	1.00
127_D	131_E	2.659	1.00
165_G	170_I	2.635	1.00
63_L	98_A	2.575	1.00
52_P	55_P	2.500	1.00
61_V	76_V	2.432	1.00
59_Q	100_D	2.286	1.00
154_V	164_T	2.280	1.00
78_D	82_E	2.253	1.00
147_S	168_E	2.225	1.00
34_Y	38_R	2.190	1.00
213_S	224_R	2.158	1.00
222_A	227_D	2.120	1.00
140_T	146_V	1.884	1.00
41_G	60_V	1.881	1.00
62_D	66_K	1.877	1.00
37_G	76_V	1.844	1.00
71_E	74_A	1.823	1.00
45_R	56_V	1.818	1.00
61_V	71_E	1.818	1.00
219_A	224_R	1.776	1.00
11_L	15_R	1.771	1.00
37_G	77_D	1.723	1.00
75_R	83_F	1.719	1.00
160_K	228_Q	1.717	1.00
122_L	145_V	1.648	1.00
70_P	74_A	1.634	1.00
57_Q	76_V	1.613	1.00
125_L	136_I	1.596	1.00
35_T	77_D	1.592	1.00
57_Q	61_V	1.573	1.00
165_G	169_D	1.558	1.00
100_D	132_H	1.537	1.00
37_G	41_G	1.507	1.00
14_V	19_I	1.497	1.00
169_D	173_N	1.488	1.00
106_A	136_I	1.487	1.00
40_I	64_L	1.487	1.00
210_C	216_C	1.485	1.00
128_L	134_M	1.471	1.00
219_A	223_C	1.455	1.00
74_A	78_D	1.446	1.00
22_I	106_A	1.436	1.00
41_G	56_V	1.434	1.00
35_T	38_R	1.428	1.00
180_R	218_H	1.424	1.00
38_R	41_G	1.422	1.00
33_V	81_H	1.420	1.00
126_E	148_E	1.417	1.00
221_E	225_S	1.404	1.00
41_G	57_Q	1.400	1.00
216_C	223_C	1.391	1.00
48_D	59_Q	1.389	1.00
211_R	228_Q	1.382	1.00
40_I	98_A	1.377	1.00
34_Y	42_E	1.350	1.00
66_K	127_D	1.325	1.00
54_V	58_R	1.316	1.00
180_R	184_D	1.315	1.00
44_I	98_A	1.312	1.00
58_R	62_D	1.307	1.00
41_G	45_R	1.294	1.00
83_F	91_V	1.274	1.00
153_V	167_V	1.271	1.00
221_E	224_R	1.257	1.00
126_E	129_Q	1.251	1.00
39_Q	95_M	1.250	1.00
138_F	149_I	1.238	1.00
70_P	75_R	1.237	1.00
168_E	172_R	1.216	1.00
188_G	191_G	1.213	1.00
64_L	76_V	1.213	1.00
152_R	163_E	1.212	1.00
208_A	213_S	1.206	1.00
19_I	103_L	1.203	1.00
37_G	57_Q	1.202	1.00
160_K	211_R	1.177	1.00
62_D	65_D	1.171	1.00
48_D	51_D	1.157	1.00
113_L	121_I	1.151	1.00
118_Q	142_D	1.149	1.00
213_S	219_A	1.125	1.00
170_I	179_T	1.114	1.00
34_Y	39_Q	1.112	1.00
56_V	60_V	1.110	1.00
216_C	220_T	1.098	1.00
104_L	136_I	1.093	1.00
61_V	65_D	1.086	1.00
67_T	94_A	1.077	1.00
20_S	96_A	1.077	1.00
211_R	214_P	1.073	1.00
129_Q	136_I	1.070	1.00
206_P	211_R	1.067	1.00
104_L	134_M	1.062	1.00
57_Q	77_D	1.055	1.00
31_N	34_Y	1.055	1.00
103_L	137_I	1.054	1.00
126_E	149_I	1.049	1.00
30_L	88_K	1.034	1.00
36_V	91_V	1.032	1.00
202_D	205_D	1.029	1.00
53_E	56_V	1.027	1.00
231_L	234_V	1.017	1.00
203_V	206_P	1.014	1.00
55_P	58_R	1.012	1.00
100_D	134_M	1.007	1.00
17_K	48_D	1.003	1.00
51_D	55_P	1.002	1.00
197_E	217_E	1.001	1.00
51_D	56_V	0.999	1.00
220_T	224_R	0.993	1.00
106_A	125_L	0.985	1.00
212_F	216_C	0.983	1.00
44_I	48_D	0.981	1.00
65_D	71_E	0.979	1.00
71_E	75_R	0.976	1.00
118_Q	145_V	0.973	1.00
63_L	94_A	0.972	1.00
68_G	127_D	0.964	1.00
169_D	172_R	0.963	1.00
11_L	14_V	0.958	1.00
138_F	150_A	0.957	1.00
60_V	76_V	0.947	1.00
222_A	225_S	0.941	1.00
40_I	60_V	0.941	1.00
209_G	213_S	0.926	1.00
161_V	164_T	0.924	1.00
41_G	76_V	0.915	1.00
228_Q	231_L	0.902	1.00
63_L	66_K	0.899	1.00
79_Y	82_E	0.898	1.00
129_Q	151_D	0.891	1.00
206_P	209_G	0.890	1.00
181_A	185_C	0.885	1.00
210_C	223_C	0.878	1.00
43_A	95_M	0.870	1.00
227_D	230_P	0.865	1.00
47_H	99_C	0.865	1.00
214_P	217_E	0.864	1.00
210_C	217_E	0.861	1.00
69_I	87_M	0.860	1.00
52_P	56_V	0.856	1.00
207_P	213_S	0.855	1.00
228_Q	232_W	0.853	1.00
189_R	193_M	0.852	1.00
83_F	87_M	0.847	1.00
105_I	137_I	0.845	1.00
22_I	93_I	0.842	1.00
108_E	141_H	0.842	1.00
171_F	174_P	0.835	1.00
157_Y	162_M	0.833	1.00
100_D	131_E	0.833	1.00
20_S	101_P	0.831	1.00
198_G	201_P	0.825	1.00
198_G	203_V	0.814	1.00
207_P	214_P	0.812	1.00
59_Q	63_L	0.811	1.00
110_T	145_V	0.808	1.00
199_S	203_V	0.804	1.00
37_G	60_V	0.803	1.00
30_L	39_Q	0.798	1.00
205_D	209_G	0.792	1.00
210_C	215_R	0.788	1.00
218_H	221_E	0.787	1.00
217_E	220_T	0.783	1.00
125_L	138_F	0.778	1.00
75_R	87_M	0.777	1.00
179_T	183_M	0.774	1.00
203_V	207_P	0.770	1.00
54_V	57_Q	0.767	1.00
25_N	28_N	0.764	1.00
209_G	212_F	0.763	1.00
65_D	70_P	0.757	1.00
216_C	219_A	0.756	1.00
93_I	121_I	0.756	1.00
210_C	213_S	0.755	1.00
69_I	75_R	0.748	1.00
190_G	193_M	0.745	1.00
191_G	194_D	0.744	1.00
219_A	222_A	0.743	1.00
173_N	176_H	0.741	1.00
162_M	211_R	0.740	1.00
145_V	149_I	0.733	1.00
45_R	53_E	0.732	1.00
227_D	232_W	0.731	1.00
155_V	174_P	0.728	1.00
84_S	87_M	0.725	1.00
143_L	171_F	0.724	1.00
119_G	123_R	0.723	1.00
204_T	207_P	0.719	1.00
220_T	223_C	0.718	1.00
48_D	100_D	0.715	1.00
209_G	216_C	0.714	1.00
68_G	120_Q	0.710	1.00
182_L	185_C	0.710	1.00
213_S	216_C	0.709	1.00
150_A	167_V	0.704	1.00
36_V	64_L	0.700	1.00
43_A	46_I	0.695	1.00
207_P	211_R	0.690	1.00
211_R	215_R	0.690	1.00
63_L	97_L	0.686	1.00
28_N	88_K	0.684	1.00
58_R	61_V	0.681	1.00
229_P	232_W	0.680	1.00
39_Q	80_P	0.678	1.00
40_I	43_A	0.676	1.00
212_F	215_R	0.676	1.00
180_R	183_M	0.670	1.00
146_V	150_A	0.670	1.00
97_L	134_M	0.670	1.00
199_S	202_D	0.669	1.00
44_I	51_D	0.669	1.00
169_D	235_D	0.665	1.00
165_G	171_F	0.662	1.00
201_P	205_D	0.660	1.00
150_A	153_V	0.657	1.00
208_A	212_F	0.656	1.00
53_E	57_Q	0.653	1.00
214_P	224_R	0.652	1.00
43_A	99_C	0.646	1.00
178_Y	182_L	0.645	1.00
181_A	184_D	0.638	1.00
30_L	91_V	0.632	1.00
230_P	233_G	0.631	1.00
58_R	65_D	0.627	1.00
74_A	77_D	0.627	1.00
78_D	83_F	0.623	1.00
167_V	171_F	0.623	1.00
167_V	178_Y	0.622	1.00
140_T	150_A	0.621	1.00
80_P	91_V	0.618	1.00
22_I	89_Q	0.618	1.00
51_D	59_Q	0.618	1.00
123_R	127_D	0.616	1.00
174_P	179_T	0.616	1.00
232_W	235_D	0.614	1.00
181_A	196_I	0.614	1.00
201_P	206_P	0.614	1.00
200_L	203_V	0.611	1.00
216_C	224_R	0.609	1.00
40_I	91_V	0.609	1.00
35_T	39_Q	0.606	1.00
43_A	98_A	0.606	1.00
124_L	127_D	0.600	1.00
215_R	219_A	0.600	1.00
156_M	161_V	0.599	1.00
35_T	79_Y	0.596	1.00
139_V	142_D	0.594	1.00
106_A	109_P	0.592	1.00
173_N	177_P	0.591	1.00
201_P	207_P	0.590	1.00
206_P	210_C	0.590	1.00
217_E	223_C	0.588	1.00
147_S	171_F	0.586	1.00
210_C	214_P	0.585	1.00
205_D	208_A	0.584	1.00
155_V	170_I	0.583	1.00
201_P	204_T	0.582	1.00
215_R	218_H	0.582	1.00
40_I	95_M	0.582	1.00
220_T	232_W	0.572	1.00
55_P	59_Q	0.570	1.00
44_I	50_G	0.568	1.00
204_T	209_G	0.567	1.00
44_I	99_C	0.566	1.00
183_M	186_L	0.564	1.00
85_G	90_R	0.564	1.00
199_S	206_P	0.563	1.00
177_P	180_R	0.563	1.00
198_G	202_D	0.562	1.00
174_P	183_M	0.560	1.00
39_Q	43_A	0.560	1.00
102_D	134_M	0.560	1.00
37_G	40_I	0.558	1.00
103_L	135_G	0.557	1.00
167_V	170_I	0.557	1.00
207_P	210_C	0.556	1.00
12_Q	46_I	0.555	1.00
60_V	98_A	0.551	1.00
125_L	149_I	0.551	1.00
160_K	164_T	0.549	1.00
215_R	223_C	0.548	1.00
136_I	149_I	0.548	1.00
115_V	119_G	0.546	1.00
217_E	221_E	0.546	1.00
202_D	206_P	0.545	1.00
186_L	189_R	0.542	1.00
39_Q	42_E	0.541	1.00
26_P	29_G	0.540	1.00
89_Q	112_A	0.539	1.00
42_E	46_I	0.538	1.00
207_P	212_F	0.538	1.00
32_P	81_H	0.537	1.00
122_L	148_E	0.537	1.00
203_V	210_C	0.535	1.00
122_L	138_F	0.534	1.00
56_V	61_V	0.534	1.00
122_L	149_I	0.532	1.00
140_T	144_G	0.531	1.00
44_I	59_Q	0.529	1.00
140_T	145_V	0.529	1.00
29_G	92_L	0.526	1.00
211_R	216_C	0.525	1.00
218_H	222_A	0.524	1.00
196_I	199_S	0.523	1.00
63_L	67_T	0.519	1.00
223_C	229_P	0.518	1.00
36_V	40_I	0.517	1.00
175_S	234_V	0.516	1.00
22_I	96_A	0.515	1.00
48_D	56_V	0.514	1.00
206_P	214_P	0.505	1.00
36_V	83_F	0.503	1.00
29_G	32_P	0.503	1.00
202_D	207_P	0.501	1.00
223_C	228_Q	0.500	1.00
142_D	145_V	0.500	1.00
92_L	95_M	0.500	1.00
196_I	200_L	0.500	1.00

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
4ry2A	2	0.6704	100	0.3	Contact Map
4f4cA	1	0.6217	100	0.308	Contact Map
3tuiC	2	0.97	100	0.322	Contact Map
4q9hA	1	0.6704	100	0.322	Contact Map
4huqB	1	0.794	100	0.33	Contact Map
4mkiB	2	0.8052	100	0.332	Contact Map
4a82A	2	0.6667	100	0.337	Contact Map
2onkA	2	0.6891	100	0.337	Contact Map
4fwiB	1	0.8914	100	0.338	Contact Map
4huqA	1	0.8052	100	0.338	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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