GREMLIN.BAKERLAB.org

Archive: 2012 - 2013
PTE - Phosphotriesterase family
Pfam: PF02126 (v27) Consensus Sequence
Download Alignment
(Note: includes all positions in family; we filtered this alignment to remove sites that had > 75% gaps before running GREMLIN. )
Clan: CL0034
Length: 308
Sequences: 11125
Seq/Len: 36.12
HH_delta: 0.31 (20Jul13)
GREMLIN Results:
Residue pairs sorted by strength in covariance:

Legend: The darker and larger the blue dots, the higher strength in covariance. Below we provide the list of the top [1.5 x length] gremlin predictions, sequence seperation > 3. The i and j are positions as given in the consensus sequence. Show Scaled Distribution

ij Raw Score Scaled Score
291_S294_D1.300273.579
177_E206_R1.287933.545
201_R246_E1.167073.213
241_K245_E1.064572.931
150_A153_E1.064342.930
297_K301_E0.974172.682
294_D297_K0.957632.636
145_R178_E0.91862.529
302_N305_R0.826342.275
201_R205_D0.810882.232
251_Q305_R0.805342.217
242_E246_E0.735742.025
202_E205_D0.72121.985
301_E305_R0.718681.978
104_E107_D0.715221.969
244_I294_D0.709281.953
253_L306_I0.703751.937
202_E206_R0.701041.930
209_Y251_Q0.69421.911
101_S104_E0.693011.908
209_Y306_I0.666131.834
151_H158_I0.649491.788
174_D178_E0.633111.743
242_E245_E0.631961.740
197_L242_E0.623361.716
297_K302_N0.616731.698
150_A154_T0.616291.697
106_A150_A0.613781.690
146_A149_R0.607411.672
140_E143_V0.605451.667
71_R75_R0.603111.660
47_F55_I0.602161.658
145_R149_R0.596361.642
159_S189_G0.58841.620
106_A153_E0.586561.615
45_K77_T0.582481.603
9_T54_T0.582131.603
239_L242_E0.580241.597
149_R153_E0.578121.591
191_M210_L0.576161.586
253_L302_N0.563121.550
9_T303_P0.562691.549
54_T304_A0.560521.543
190_H257_D0.558251.537
54_T82_I0.557771.535
11_M253_L0.55621.531
141_E145_R0.551541.518
72_E76_R0.549741.513
234_E238_E0.549391.512
177_E202_E0.54541.501
296_D300_V0.535731.475
198_D201_R0.53131.463
106_A154_T0.52431.443
197_L201_R0.518921.429
187_V306_I0.518551.427
200_H246_E0.512621.411
145_R175_I0.5011.379
58_A159_S0.494191.360
161_H257_D0.489591.348
145_R179_E0.48061.323
144_L160_T0.479031.319
142_K146_A0.477791.315
300_V303_P0.474761.307
243_L248_Y0.474631.307
204_A248_Y0.473991.305
10_L13_E0.473911.305
248_Y251_Q0.467771.288
197_L246_E0.467731.288
198_D202_E0.466011.283
11_M211_E0.465581.282
69_A72_E0.465181.281
187_V211_E0.462681.274
45_K49_A0.46161.271
11_M307_L0.460471.268
72_E75_R0.458281.262
73_I76_R0.455361.254
149_R179_E0.451691.243
55_I81_I0.450941.241
48_K80_N0.442491.218
9_T304_A0.441241.215
209_Y253_L0.441181.214
253_L303_P0.438951.208
161_H190_H0.434181.195
211_E253_L0.43071.186
238_E242_E0.429061.181
196_D199_Y0.427221.176
300_V304_A0.424691.169
11_M303_P0.421481.160
56_V307_L0.420811.158
170_L174_D0.416891.148
10_L256_H0.412961.137
152_K180_G0.411521.133
234_E237_I0.406631.119
103_E106_A0.405611.117
136_I139_L0.404291.113
299_L303_P0.402091.107
44_L48_K0.399811.101
290_V294_D0.398091.096
8_F52_G0.397211.093
197_L239_L0.396251.091
298_I302_N0.393431.083
15_L44_L0.392651.081
37_V72_E0.388571.070
44_L77_T0.388041.068
290_V298_I0.387641.067
106_A110_I0.381581.050
133_S171_E0.380971.049
48_K53_R0.377961.040
54_T80_N0.372351.025
204_A246_E0.372241.025
38_E45_K0.37021.019
174_D202_E0.368531.015
103_E107_D0.368241.014
151_H156_A0.36731.011
293_E297_K0.363541.001
36_D39_A0.36220.997
12_H190_H0.362090.997
102_V106_A0.361850.996
74_S81_I0.357460.984
294_D298_I0.356610.982
15_L40_A0.35560.979
56_V189_G0.355320.978
214_T240_L0.355260.978
194_N235_E0.349740.963
175_I179_E0.347870.958
141_E178_E0.347420.956
290_V295_I0.345880.952
64_G67_V0.345050.950
14_H190_H0.344950.950
107_D110_I0.343860.947
173_L199_Y0.34310.944
56_V187_V0.342080.942
46_E50_A0.341670.941
177_E205_D0.341320.940
292_E296_D0.340190.936
188_I191_M0.339470.935
170_L196_D0.337590.929
102_V146_A0.337440.929
13_E55_I0.336980.928
53_R300_V0.335850.925
110_I154_T0.334370.920
199_Y202_E0.332650.916
146_A150_A0.330380.909
296_D301_E0.330360.909
278_L282_I0.330280.909
71_R74_S0.329060.906
14_H257_D0.32880.905
152_K179_E0.327730.902
8_F299_L0.327610.902
148_A152_K0.326430.899
141_E175_I0.326070.898
68_E72_E0.325030.895
188_I203_L0.324980.895
46_E49_A0.322180.887
8_F300_V0.322030.886
210_L243_L0.320610.883
212_F252_I0.319480.879
47_F52_G0.317180.873
109_F156_A0.315060.867
9_T300_V0.314590.866
283_P286_K0.314270.865
15_L55_I0.312710.861
112_E115_E0.31210.859
244_I298_I0.311750.858
254_L281_F0.308810.850
159_S187_V0.308710.850
295_I299_L0.308170.848
301_E304_A0.30710.845
37_V73_I0.307020.845
203_L210_L0.306960.845
204_A251_Q0.30630.843
194_N243_L0.305450.841
148_A181_V0.30480.839
143_V146_A0.303570.836
45_K48_K0.301990.831
188_I208_V0.30140.830
44_L81_I0.297960.820
149_R152_K0.297070.818
282_I286_K0.296780.817
186_V208_V0.295890.815
173_L177_E0.295850.814
108_L112_E0.292990.807
200_H242_E0.291890.804
251_Q302_N0.291170.802
245_E294_D0.28940.797
173_L203_L0.28940.797
302_N306_I0.286660.789
174_D198_D0.284380.783
16_L66_D0.284190.782
191_M200_H0.284080.782
148_A179_E0.284040.782
237_I241_K0.281860.776
241_K244_I0.28140.775
207_G251_Q0.277990.765
201_R248_Y0.27760.764
286_K295_I0.277420.764
286_K292_E0.275690.759
176_L181_V0.275530.758
44_L55_I0.275210.758
254_L298_I0.275070.757
176_L208_V0.274710.756
148_A158_I0.271810.748
210_L248_Y0.271170.746
48_K79_V0.269910.743
173_L202_E0.268310.739
174_D199_Y0.268190.738
286_K289_G0.268090.738
69_A73_I0.267590.737
139_L143_V0.26720.736
209_Y302_N0.266360.733
142_K145_R0.263310.725
48_K78_G0.262550.723
238_E241_K0.260730.718
267_Y270_G0.260390.717
75_R113_I0.260230.716
38_E77_T0.25960.715
44_L79_V0.259580.715
52_G277_I0.257620.709
293_E301_E0.256620.706
132_S172_Q0.255690.704
197_L243_L0.254750.701
38_E76_R0.254490.701
200_H243_L0.25410.699
163_G192_D0.253750.699
174_D177_E0.253330.697
281_F295_I0.253130.697
170_L199_Y0.252060.694
194_N239_L0.251430.692
53_R304_A0.251220.692
204_A247_G0.249570.687
105_L109_F0.249220.686
171_E174_D0.247040.680
37_V76_R0.246490.679
244_I290_V0.245360.675
56_V159_S0.245070.675
203_L208_V0.24490.674
110_I150_A0.244820.674
171_E199_Y0.244790.674
162_T188_I0.244480.673
160_T186_V0.244350.673
157_P306_I0.244320.673
279_T283_P0.243440.670
39_A46_E0.242470.667
102_V105_L0.242410.667
154_T157_P0.242370.667
253_L307_L0.241790.666
158_I181_V0.241630.665
177_E208_V0.241390.665
9_T56_V0.239780.660
209_Y305_R0.239720.660
191_M203_L0.238390.656
211_E255_S0.236890.652
292_E295_I0.236450.651
162_T172_Q0.23630.650
113_I156_A0.235140.647
58_A189_G0.23430.645
8_F278_L0.23420.645
298_I301_E0.23320.642
170_L202_E0.23290.641
84_S116_G0.232350.640
15_L57_D0.231870.638
13_E17_I0.231160.636
8_F296_D0.230840.635
70_L74_S0.230320.634
279_T282_I0.229410.632
303_P306_I0.229170.631
193_R196_D0.228420.629
266_R269_G0.228410.629
280_R283_P0.226550.624
284_R288_R0.226060.622
48_K83_A0.225150.620
175_I178_E0.224910.619
193_R236_R0.224080.617
129_E147_A0.22340.615
172_Q176_L0.222650.613
47_F50_A0.22260.613
200_H212_F0.22240.612
235_E238_E0.222260.612
284_R287_E0.219610.605
258_I261_K0.219060.603
252_I298_I0.21820.601
240_L298_I0.217680.599
236_R239_L0.216380.596
242_E288_R0.215960.595
281_F284_R0.215840.594
13_E258_I0.215220.592
84_S132_S0.21390.589
281_F299_L0.213830.589
107_D112_E0.213660.588
102_V143_V0.212810.586
192_D236_R0.212680.585
195_P199_Y0.212670.585
187_V253_L0.212520.585
16_L60_P0.212460.585
187_V307_L0.210830.580
73_I77_T0.210210.579
160_T188_I0.209390.576
74_S83_A0.208450.574
152_K181_V0.207640.572
139_L142_K0.207490.571
213_D255_S0.206870.569
291_S295_I0.205610.566
76_R79_V0.205380.565
85_T88_Y0.204670.563
104_E108_L0.204510.563
159_S306_I0.204170.562
12_H257_D0.202820.558
12_H161_H0.202650.558
243_L246_E0.201730.555
295_I300_V0.201020.553
44_L78_G0.200820.553
189_G213_D0.19840.546
103_E146_A0.198280.546
17_I21_G0.198180.546
51_G304_A0.198180.546
13_E256_H0.197920.545
11_M255_S0.197870.545
160_T181_V0.197420.543
264_L268_G0.197030.542
107_D150_A0.196430.541
70_L73_I0.196120.540
14_H161_H0.195350.538
87_F147_A0.195030.537
17_I20_S0.194820.536
105_L108_L0.194750.536
201_R204_A0.194270.535
173_L208_V0.193990.534
60_P63_L0.19360.533
71_R83_A0.19320.532
55_I79_V0.193030.531
141_E171_E0.19210.529
58_A84_S0.1920.529
254_L299_L0.191670.528
Legend: The value of the raw score is the function of the learning procedure, L2 normalization and APC (entropic) correction. These are to be used for relative ranking only.
HHsearch Results:
Top (length/2) GREMLIN results overlayed on top 10 PDB hits:

Legend: The grey circles underneath are pdb residue contacts (min distance < 5 Angstroms). The coloring of these circles is based on HHsearch results which uses the overall probability, per-site alignment prob and agreement of top hits weighted by HHsearch score (Note we only consider monomeric contacts, there might be homo-oligomeric contacts in the pdb that are not shown.)
PDB Cov Prob HH_delta
3tn4A0.9741000.31
3ovgA0.95131000.326
3pnzA0.94811000.336
3gtxA0.97081000.35
3k2gA0.9871000.351
2vc7A0.95781000.361
3rhgA0.97731000.37
2ob3A0.9741000.373
1bf6A0.92211000.397
3rcmA0.831299.90.456

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