G4VST2_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VST2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low59.9Low237 Ų237112.5 Ų112.5100%1.16757%0.573SS**  096.30-84.7165.7146.400110.2
2K52.3Low60.8Low187 Ų187111.1 Ų111.181%0.81357%0.566SS**  trans-133.7-0.9172.1-77.6179.9177.2165.70112.8
3L50.3Low61.7Low130 Ų130106 Ų10668%0.68154%0.54SS*.Hα-helixtrans-75.6-39.4-172-147.968.4000115.3V5 F6 F7L3-V5 VanDerWaalsContact C-N 3.27Å; L3-V5 PolarHBondContact O-N 3.44Å; L3-F6 PolarHBondContact O-N 3.33Å; L3-F7 PolarHBondContact O-N 3.06Å
4P53.9Low62.8Low99 Ų99100.4 Ų100.464%0.64351%0.512SS*.Hα-helixtrans-69-27.7-178.625.9-32.9000112.6F6 G8P4-F6 VanDerWaalsContact C-N 3.33Å; P4-F6 PolarHBondContact O-N 2.98Å; P4-G8 PolarHBondContact O-N 3.05Å; P4-G8 VanDerWaalsContact O-N 3.15Å
5V55Low63.3Low109 Ų10998.9 Ų98.966%0.66151%0.513SS*.Hα-helixtrans-67.3-36.3178.3-175.20000111.1L3 F9L3-V5 VanDerWaalsContact C-N 3.27Å; L3-V5 PolarHBondContact O-N 3.44Å; V5-F9 WeakPolarHBondContact O-CB 3.5Å; V5-F9 PolarHBondContact O-N 2.91Å
6F61.3Low63.7Low108 Ų108100.3 Ų100.347%0.47452%0.519SS..Hα-helixtrans-69.6-42.2-179.1-158.5-102.7000111.7L3 P4 F9 I10L3-F6 PolarHBondContact O-N 3.33Å; P4-F6 VanDerWaalsContact C-N 3.33Å; P4-F6 PolarHBondContact O-N 2.98Å; F6-F9 PolarHBondContact O-N 3.42Å; F6-I10 HydrophobicContact CD1-CD1 3.48Å; F6-I10 VanDerWaalsContact CD1-CD1 3.48Å; F6-I10 HydrophobicContact CD1-CG1 4.28Å; F6-I10 HydrophobicContact CE1-CD1 3.47Å; F6-I10 VanDerWaalsContact CE1-CD1 3.47Å; F6-I10 HydrophobicContact CE1-CG1 4.25Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 4.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.22Å
7F66.1Low63.9Low117 Ų11799.6 Ų99.651%0.51351%0.511SS..Hα-helixtrans-65.2-44.2177.4-164.8-103.6000111.7L3 F9 I10 I11L3-F7 PolarHBondContact O-N 3.06Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 3.43Å; F7-I10 PolarHBondContact O-N 3.42Å; F7-I11 HydrophobicContact CD1-CD1 3.66Å; F7-I11 HydrophobicContact CD1-CG1 4.4Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CE1-CG1 4.25Å; F7-I11 HydrophobicContact CZ-CD1 4.22Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.48Å
8G65.9Low64.1Low30 Ų30101.5 Ų101.531%0.30952%0.515SS..Hα-helixtrans-59.9-42.2174.600000112.9P4 I11 I12P4-G8 PolarHBondContact O-N 3.05Å; P4-G8 VanDerWaalsContact O-N 3.15Å; G8-I11 PolarHBondContact O-N 2.98Å; G8-I12 WeakPolarHBondContact O-CD1 3.36Å; G8-I12 VanDerWaalsContact O-CG1 3.29Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.28Å
9F67.6Low64.1Low127 Ų127105.8 Ų105.856%0.55754%0.536SS*.Hα-helixtrans-66.2-38.6177.3-168.8-107.8000112.6V5 F6 F7 I12 I13V5-F9 WeakPolarHBondContact O-CB 3.5Å; V5-F9 PolarHBondContact O-N 2.91Å; F6-F9 PolarHBondContact O-N 3.42Å; F7-F9 VanDerWaalsContact C-N 3.34Å; F7-F9 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 3.3Å; F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.26Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CG-CD1 4.37Å; F9-I13 HydrophobicContact CZ-CD1 3.92Å; F9-I13 HydrophobicContact CZ-CG1 4.48Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.02Å
10I71.8Confident64.7Low17 Ų17105.1 Ų105.19%0.08755%0.547CS..Hα-helixtrans-62.3-47174.2-72167.1000110.7F6 F7 I12 I13 I14 Q33F6-I10 HydrophobicContact CD1-CD1 3.48Å; F6-I10 VanDerWaalsContact CD1-CD1 3.48Å; F6-I10 HydrophobicContact CD1-CG1 4.28Å; F6-I10 HydrophobicContact CE1-CD1 3.47Å; F6-I10 VanDerWaalsContact CE1-CD1 3.47Å; F6-I10 HydrophobicContact CE1-CG1 4.25Å; F6-I10 HydrophobicContact CG-CD1 4.5Å; F6-I10 HydrophobicContact CZ-CD1 4.45Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.22Å; F7-I10 PolarHBondContact O-N 3.42Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 3.32Å; I10-I13 PolarHBondContact O-N 3.43Å; I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.23Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.25Å; I10-I14 PolarHBondContact O-N 2.81Å; I10-Q33 HydrophobicContact CG2-CB 4.35Å; I10-Q33 HydrophobicContact CG2-CG 4.42Å
11I72.5Confident65Low77 Ų77103 Ų10340%0.39554%0.536SS..Hα-helixtrans-58.3-46.6177.4-69.3172.9000110.4F7 G8 I13 I14 C15F7-I11 HydrophobicContact CD1-CD1 3.66Å; F7-I11 HydrophobicContact CD1-CG1 4.4Å; F7-I11 HydrophobicContact CE1-CD1 3.43Å; F7-I11 VanDerWaalsContact CE1-CD1 3.43Å; F7-I11 HydrophobicContact CE1-CG1 4.25Å; F7-I11 HydrophobicContact CZ-CD1 4.22Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.48Å; G8-I11 PolarHBondContact O-N 2.98Å; I11-I13 PolarHBondContact O-N 3.26Å; I11-I14 WeakPolarHBondContact O-CB 3.49Å; I11-I14 PolarHBondContact O-N 3.4Å; I11-I14 VanDerWaalsContact O-N 3.15Å; I11-C15 WeakPolarHBondContact O-CB 3.46Å; I11-C15 PolarHBondContact O-N 3.17Å; I11-C15 PolarHBondContact O-SG 2.89Å
12I70.8Confident66.9Low95 Ų9596 Ų9649%0.48751%0.507SS..Hα-helixtrans-59.8-45.1178.2-68.1163.6000110.9G8 F9 I10 I14 C15 I16G8-I12 WeakPolarHBondContact O-CD1 3.36Å; G8-I12 VanDerWaalsContact O-CG1 3.29Å; G8-I12 WeakPolarHBondContact O-CG1 3.49Å; G8-I12 PolarHBondContact O-N 3.28Å; F9-I12 PolarHBondContact O-N 3.3Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 3.32Å; I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 PolarHBondContact O-N 3.08Å; I12-C15 PolarHBondContact O-N 3.37Å; I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 3.15Å
13I72.9Confident68.2Low45 Ų4591 Ų9123%0.23150%0.495CS..Hα-helixtrans-61-41.7175.8-71.1167.8000111.4F9 I10 I11 K17F9-I13 HydrophobicContact CD1-CD1 3.52Å; F9-I13 HydrophobicContact CD1-CG1 4.4Å; F9-I13 HydrophobicContact CE1-CD1 3.26Å; F9-I13 HydrophobicContact CE1-CG1 4.22Å; F9-I13 HydrophobicContact CG-CD1 4.37Å; F9-I13 HydrophobicContact CZ-CD1 3.92Å; F9-I13 HydrophobicContact CZ-CG1 4.48Å; F9-I13 WeakPolarHBondContact O-CG1 3.36Å; F9-I13 PolarHBondContact O-N 3.02Å; I10-I13 PolarHBondContact O-N 3.43Å; I11-I13 PolarHBondContact O-N 3.26Å; I13-K17 HydrophobicContact CG2-CD 4.06Å; I13-K17 WeakPolarHBondContact O-CB 3.36Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 3.38Å
14I76.7Confident69.8Low28 Ų2890.4 Ų90.414%0.14449%0.493CS..Hα-helixtrans-64.4-45.2177.8-70.2167.2000110.2I10 I11 I12 K17 K18 F26 I30 Q33I10-I14 HydrophobicContact CG2-CD1 3.51Å; I10-I14 HydrophobicContact CG2-CG1 4.23Å; I10-I14 WeakPolarHBondContact O-CB 3.29Å; I10-I14 VanDerWaalsContact O-CG1 3.24Å; I10-I14 WeakPolarHBondContact O-CG1 3.25Å; I10-I14 PolarHBondContact O-N 2.81Å; I11-I14 WeakPolarHBondContact O-CB 3.49Å; I11-I14 PolarHBondContact O-N 3.4Å; I11-I14 VanDerWaalsContact O-N 3.15Å; I12-I14 VanDerWaalsContact C-N 3.32Å; I12-I14 PolarHBondContact O-N 3.08Å; I14-K17 PolarHBondContact O-N 3.48Å; I14-K18 WeakPolarHBondContact O-CB 3.45Å; I14-K18 PolarHBondContact O-N 3.15Å; I14-F26 HydrophobicContact CG2-CE2 3.53Å; I14-F26 HydrophobicContact CG2-CZ 3.85Å; I14-I30 HydrophobicContact CD1-CD1 3.75Å; I14-I30 HydrophobicContact CG1-CD1 4.13Å; I14-I30 HydrophobicContact CG2-CD1 3.62Å; I14-Q33 HydrophobicContact CD1-CG 4.5Å
15C70.9Confident71Confident78 Ų7890.6 Ų90.653%0.52749%0.485SS..Hα-helixtrans-60.6-45.4176.8-70.70000111.9I11 I12 K17 K18I11-C15 WeakPolarHBondContact O-CB 3.46Å; I11-C15 PolarHBondContact O-N 3.17Å; I11-C15 PolarHBondContact O-SG 2.89Å; I12-C15 PolarHBondContact O-N 3.37Å; C15-K17 VanDerWaalsContact C-N 3.34Å; C15-K17 PolarHBondContact O-N 3.28Å; C15-K18 PolarHBondContact O-N 2.89Å
16I69.3Low72.1Confident120 Ų12087.6 Ų87.662%0.61546%0.463SS*.Hα-helixtrans-62.7-42.2177.1-67.7166.1000110.5I12I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.4Å; I12-I16 VanDerWaalsContact O-CG1 3.25Å; I12-I16 WeakPolarHBondContact O-CG1 3.38Å; I12-I16 PolarHBondContact O-N 3.15Å
17K66.1Low72.9Confident90 Ų9088.2 Ų88.239%0.39147%0.467SS..Hα-helixtrans-72.5-31.3-179.5-76.4-177.5175-174.60113.5I13 I14 C15 M19 A20 L21 L29I13-K17 HydrophobicContact CG2-CD 4.06Å; I13-K17 WeakPolarHBondContact O-CB 3.36Å; I13-K17 WeakPolarHBondContact O-CG 3.29Å; I13-K17 PolarHBondContact O-N 3.38Å; I14-K17 PolarHBondContact O-N 3.48Å; C15-K17 VanDerWaalsContact C-N 3.34Å; C15-K17 PolarHBondContact O-N 3.28Å; K17-M19 PolarHBondContact O-N 3.49Å; K17-M19 VanDerWaalsContact O-N 3.17Å; K17-A20 PolarHBondContact O-N 3.42Å; K17-A20 VanDerWaalsContact O-N 3.08Å; K17-L21 HydrophobicContact CB-CD1 3.88Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.32Å; K17-L29 HydrophobicContact CB-CD2 3.6Å; K17-L29 HydrophobicContact CD-CD1 3.76Å; K17-L29 HydrophobicContact CD-CD2 3.44Å; K17-L29 VanDerWaalsContact CD-CD2 3.44Å; K17-L29 HydrophobicContact CD-CG 4.26Å; K17-L29 HydrophobicContact CG-CD2 4.15Å
18K67.3Low73.7Confident133 Ų13387.8 Ų87.858%0.57847%0.47SS*.Hα-helixtrans-58.8-28.7-179.8-171.7171.2174.2160.60113.2I14 C15 A20 F26I14-K18 WeakPolarHBondContact O-CB 3.45Å; I14-K18 PolarHBondContact O-N 3.15Å; C15-K18 PolarHBondContact O-N 2.89Å; K18-A20 PolarHBondContact O-N 3.37Å; K18-F26 HydrophobicContact CB-CD2 3.9Å; K18-F26 HydrophobicContact CB-CE2 3.74Å; K18-F26 HydrophobicContact CD-CD2 4.34Å; K18-F26 HydrophobicContact CD-CE2 3.84Å; K18-F26 HydrophobicContact CD-CZ 4.04Å; K18-F26 HydrophobicContact CG-CD2 3.93Å; K18-F26 HydrophobicContact CG-CE2 3.86Å
19M65.6Low74.5Confident183 Ų18387.2 Ų87.290%0.90146%0.46SS*.THydrogen-bonded Turntrans-71.2-13.7178.4-72-165.3173.900114.6K17K17-M19 PolarHBondContact O-N 3.49Å; K17-M19 VanDerWaalsContact O-N 3.17Å
20A75.4Confident75Confident92 Ų9283.1 Ų83.176%0.7644%0.443SS*.THydrogen-bonded Turntrans-123.1-1.4-174.300000114.3K17 K18K17-A20 PolarHBondContact O-N 3.42Å; K17-A20 VanDerWaalsContact O-N 3.08Å; K18-A20 PolarHBondContact O-N 3.37Å
21L71.4Confident75.5Confident62 Ų6287.7 Ų87.733%0.32546%0.464SS..  trans-111.9143.6-171.6-67.3-178.5000111.9K17 Q25 L29K17-L21 HydrophobicContact CB-CD1 3.88Å; K17-L21 VanDerWaalsContact O-CG 3.29Å; K17-L21 WeakPolarHBondContact O-CG 3.33Å; K17-L21 PolarHBondContact O-N 3.32Å; L21-Q25 HydrophobicContact CB-CB 3.84Å; L21-Q25 HydrophobicContact CD1-CB 4.31Å; L21-Q25 HydrophobicContact CD2-CB 3.9Å; L21-Q25 HydrophobicContact CD2-CG 4.47Å; L21-Q25 HydrophobicContact CG-CB 4.21Å; L21-L29 HydrophobicContact CD1-CD2 4.03Å
22T81.8Confident76Confident90 Ų9091 Ų9155%0.55247%0.472SS*.  trans-65.4162.3165.4630000110.3D24 Q25 F26T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.01Å; T22-Q25 PolarHBondContact O-N 3.01Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.48Å; T22-F26 PolarHBondContact O-N 3.27Å
23S79.1Confident76.5Confident80 Ų8087.6 Ų87.656%0.55945%0.454SS*.Hα-helixtrans-51-46.2178.6-178.70000112.2Q25 F26 Q27S23-Q25 PolarHBondContact O-N 2.97Å; S23-F26 WeakPolarHBondContact O-CB 3.46Å; S23-F26 PolarHBondContact O-N 3.14Å; S23-Q27 PolarHBondContact O-N 3.31Å
24D84.9Confident76.8Confident119 Ų11989 Ų8964%0.63646%0.459SS*.Hα-helixtrans-66-39.9-178.6-54.2-18.4000112.1T22 F26 Q27 L28T22-D24 VanDerWaalsContact C-N 3.26Å; T22-D24 PolarHBondContact O-N 3.01Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.26Å; D24-Q27 PolarHBondContact O-N 3.02Å; D24-L28 WeakPolarHBondContact O-CB 3.24Å; D24-L28 PolarHBondContact O-N 2.94Å
25Q79.1Confident77.2Confident102 Ų10294.4 Ų94.448%0.47748%0.484SS..Hα-helixtrans-66.6-36.4176.2-70.5-71.2-27.100111.8L21 T22 S23 L29L21-Q25 HydrophobicContact CB-CB 3.84Å; L21-Q25 HydrophobicContact CD1-CB 4.31Å; L21-Q25 HydrophobicContact CD2-CB 3.9Å; L21-Q25 HydrophobicContact CD2-CG 4.47Å; L21-Q25 HydrophobicContact CG-CB 4.21Å; T22-Q25 PolarHBondContact O-N 3.01Å; T22-Q25 VanDerWaalsContact O-N 3.14Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.48Å; S23-Q25 PolarHBondContact O-N 2.97Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.94Å
26F77.5Confident77.8Confident47 Ų4797.7 Ų97.721%0.20649%0.485CS..Hα-helixtrans-66.3-46.4174.2-178.7-99.6000111.2I14 K18 T22 S23 D24 L28 L29 I30I14-F26 HydrophobicContact CG2-CE2 3.53Å; I14-F26 HydrophobicContact CG2-CZ 3.85Å; K18-F26 HydrophobicContact CB-CD2 3.9Å; K18-F26 HydrophobicContact CB-CE2 3.74Å; K18-F26 HydrophobicContact CD-CD2 4.34Å; K18-F26 HydrophobicContact CD-CE2 3.84Å; K18-F26 HydrophobicContact CD-CZ 4.04Å; K18-F26 HydrophobicContact CG-CD2 3.93Å; K18-F26 HydrophobicContact CG-CE2 3.86Å; T22-F26 PolarHBondContact O-N 3.27Å; S23-F26 WeakPolarHBondContact O-CB 3.46Å; S23-F26 PolarHBondContact O-N 3.14Å; D24-F26 VanDerWaalsContact C-N 3.32Å; D24-F26 PolarHBondContact O-N 3.26Å; F26-L28 PolarHBondContact O-N 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-L29 VanDerWaalsContact O-N 3.15Å; F26-I30 HydrophobicContact CD1-CG1 4.16Å; F26-I30 HydrophobicContact CE1-CD1 4.14Å; F26-I30 HydrophobicContact CE1-CG1 3.75Å; F26-I30 HydrophobicContact CE2-CD1 4.2Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.77Å; F26-I30 HydrophobicContact CZ-CG1 3.9Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 3.31Å
27Q78.4Confident78.4Confident120 Ų12095.2 Ų95.256%0.56147%0.47SS*.Hα-helixtrans-59.1-46.4176-73.3-169.724.300111.9S23 D24 L29 I30 Q31S23-Q27 PolarHBondContact O-N 3.31Å; D24-Q27 PolarHBondContact O-N 3.02Å; Q27-L29 PolarHBondContact O-N 3.35Å; Q27-I30 PolarHBondContact O-N 3.15Å; Q27-I30 VanDerWaalsContact O-N 3.17Å; Q27-Q31 WeakPolarHBondContact O-CB 3.37Å; Q27-Q31 WeakPolarHBondContact O-CG 3.37Å; Q27-Q31 PolarHBondContact O-N 2.83Å
28L83.7Confident79.1Confident109 Ų10996.7 Ų96.757%0.57147%0.473SS*.Hα-helixtrans-60.7-36.1176.9-173.365.3000112.1D24 F26 R32D24-L28 WeakPolarHBondContact O-CB 3.24Å; D24-L28 PolarHBondContact O-N 2.94Å; F26-L28 PolarHBondContact O-N 3.28Å; L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 PolarHBondContact O-N 3.38Å
29L81.2Confident80Confident17 Ų1798.1 Ų98.19%0.08948%0.479CS..Hα-helixtrans-66-46.3174.8178.171.6000111.7K17 L21 Q25 F26 Q27 R32 Q33K17-L29 HydrophobicContact CB-CD2 3.6Å; K17-L29 HydrophobicContact CD-CD1 3.76Å; K17-L29 HydrophobicContact CD-CD2 3.44Å; K17-L29 VanDerWaalsContact CD-CD2 3.44Å; K17-L29 HydrophobicContact CD-CG 4.26Å; K17-L29 HydrophobicContact CG-CD2 4.15Å; L21-L29 HydrophobicContact CD1-CD2 4.03Å; Q25-L29 WeakPolarHBondContact O-CB 3.26Å; Q25-L29 PolarHBondContact O-N 2.94Å; F26-L29 WeakPolarHBondContact O-CB 3.3Å; F26-L29 PolarHBondContact O-N 2.96Å; F26-L29 VanDerWaalsContact O-N 3.15Å; Q27-L29 PolarHBondContact O-N 3.35Å; L29-R32 PolarHBondContact O-N 3.17Å; L29-Q33 HydrophobicContact CD1-CG 4.46Å; L29-Q33 VanDerWaalsContact O-CG 3.3Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å; L29-Q33 PolarHBondContact O-N 2.94Å
30I79.4Confident80.9Confident42 Ų4291.9 Ų91.922%0.21545%0.454CS..Hα-helixtrans-58.3-53177.1-65.5-57.8000109.7I14 F26 Q27 R32 Q33 E34I14-I30 HydrophobicContact CD1-CD1 3.75Å; I14-I30 HydrophobicContact CG1-CD1 4.13Å; I14-I30 HydrophobicContact CG2-CD1 3.62Å; F26-I30 HydrophobicContact CD1-CG1 4.16Å; F26-I30 HydrophobicContact CE1-CD1 4.14Å; F26-I30 HydrophobicContact CE1-CG1 3.75Å; F26-I30 HydrophobicContact CE2-CD1 4.2Å; F26-I30 HydrophobicContact CE2-CG1 4.42Å; F26-I30 HydrophobicContact CZ-CD1 3.77Å; F26-I30 HydrophobicContact CZ-CG1 3.9Å; F26-I30 WeakPolarHBondContact O-CG1 3.44Å; F26-I30 PolarHBondContact O-N 3.31Å; Q27-I30 PolarHBondContact O-N 3.15Å; Q27-I30 VanDerWaalsContact O-N 3.17Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; I30-Q33 CarbonylContact O-C 3.59Å; I30-Q33 WeakPolarHBondContact O-CA 3.41Å; I30-Q33 PolarHBondContact O-N 2.96Å; I30-E34 HydrophobicContact CG2-CG 4.23Å; I30-E34 WeakPolarHBondContact O-CG 3.48Å; I30-E34 PolarHBondContact O-N 2.94Å
31Q82.3Confident81.2Confident112 Ų11290.1 Ų90.152%0.52343%0.43SS..Hα-helixtrans-55.2-44177.9-75.2-77.2-64.900112.4Q27 Q33 E34 Q35Q27-Q31 WeakPolarHBondContact O-CB 3.37Å; Q27-Q31 WeakPolarHBondContact O-CG 3.37Å; Q27-Q31 PolarHBondContact O-N 2.83Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.92Å; Q31-E34 PolarHBondContact NE2-OE2 3.22Å; Q31-E34 PolarHBondContact O-N 3.49Å; Q31-Q35 WeakPolarHBondContact O-CB 3.4Å; Q31-Q35 PolarHBondContact O-N 3.47Å
32R82.3Confident82Confident148 Ų14891.2 Ų91.256%0.55844%0.436SS*.Hα-helixtrans-64-36.2175.8178.5177.3-99.9174-5.9112.4L28 L29 I30 R36L28-R32 VanDerWaalsContact O-CB 3.27Å; L28-R32 WeakPolarHBondContact O-CB 3.49Å; L28-R32 PolarHBondContact O-N 3.38Å; L29-R32 PolarHBondContact O-N 3.17Å; I30-R32 VanDerWaalsContact C-N 3.3Å; I30-R32 PolarHBondContact O-N 3.45Å; R32-R36 VanDerWaalsContact O-CG 3.25Å; R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.25Å; R32-R36 VanDerWaalsContact O-N 3.1Å
33Q80.3Confident82.3Confident22 Ų2290.4 Ų90.410%0.10343%0.428CS..Hα-helixtrans-75.1-39.7178.2-67.4-67.61700112I10 I14 L29 I30 Q31 Q35 R36 F37I10-Q33 HydrophobicContact CG2-CB 4.35Å; I10-Q33 HydrophobicContact CG2-CG 4.42Å; I14-Q33 HydrophobicContact CD1-CG 4.5Å; L29-Q33 HydrophobicContact CD1-CG 4.46Å; L29-Q33 VanDerWaalsContact O-CG 3.3Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å; L29-Q33 PolarHBondContact O-N 2.94Å; I30-Q33 CarbonylContact O-C 3.59Å; I30-Q33 WeakPolarHBondContact O-CA 3.41Å; I30-Q33 PolarHBondContact O-N 2.96Å; Q31-Q33 VanDerWaalsContact C-N 3.33Å; Q31-Q33 PolarHBondContact O-N 2.92Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 3.26Å; Q33-R36 PolarHBondContact O-N 3.38Å; Q33-F37 WeakPolarHBondContact O-CB 3.27Å; Q33-F37 PolarHBondContact O-N 3.07Å
34E80.9Confident82.8Confident75 Ų7592.4 Ų92.435%0.3543%0.427SS..Hα-helixtrans-57.8-46.4171.6-71.6173.5157.600110.6I30 Q31 R36 F37 R38I30-E34 HydrophobicContact CG2-CG 4.23Å; I30-E34 WeakPolarHBondContact O-CG 3.48Å; I30-E34 PolarHBondContact O-N 2.94Å; Q31-E34 PolarHBondContact NE2-OE2 3.22Å; Q31-E34 PolarHBondContact O-N 3.49Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.01Å; E34-F37 WeakPolarHBondContact O-CB 3.43Å; E34-F37 PolarHBondContact O-N 3.38Å; E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.82Å
35Q83.5Confident83Confident142 Ų14287 Ų8766%0.66440%0.398SS*.Hα-helixtrans-61.3-41175.9-169-173.412.700112.6Q31 Q33 R38 K39Q31-Q35 WeakPolarHBondContact O-CB 3.4Å; Q31-Q35 PolarHBondContact O-N 3.47Å; Q33-Q35 VanDerWaalsContact C-N 3.32Å; Q33-Q35 PolarHBondContact O-N 3.26Å; Q35-R38 PolarHBondContact O-N 3.46Å; Q35-K39 WeakPolarHBondContact O-CB 3.42Å; Q35-K39 PolarHBondContact O-N 3.4Å
36R83.5Confident83.5Confident146 Ų14685.5 Ų85.555%0.55139%0.393SS*.Hα-helixtrans-66.1-41.2176.4-76.4171.4178.3-158.3-2.4111.8R32 Q33 E34 K39 S40R32-R36 VanDerWaalsContact O-CG 3.25Å; R32-R36 WeakPolarHBondContact O-CG 3.25Å; R32-R36 PolarHBondContact O-N 3.25Å; R32-R36 VanDerWaalsContact O-N 3.1Å; Q33-R36 PolarHBondContact O-N 3.38Å; E34-R36 VanDerWaalsContact C-N 3.35Å; E34-R36 PolarHBondContact O-N 3.01Å; R36-K39 PolarHBondContact O-N 2.85Å; R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.23Å
37F81.9Confident84.2Confident68 Ų6888.8 Ų88.830%0.29841%0.407SS..Hα-helixtrans-62.4-47.1175.4-179.3-107.4000110.7Q33 E34 K39 S40 Q41Q33-F37 WeakPolarHBondContact O-CB 3.27Å; Q33-F37 PolarHBondContact O-N 3.07Å; E34-F37 WeakPolarHBondContact O-CB 3.43Å; E34-F37 PolarHBondContact O-N 3.38Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.92Å; F37-S40 CarbonylContact O-C 3.59Å; F37-S40 WeakPolarHBondContact O-CB 3.5Å; F37-S40 PolarHBondContact O-N 3.39Å; F37-Q41 HydrophobicContact CD1-CG 4.37Å; F37-Q41 HydrophobicContact CE1-CG 4.03Å; F37-Q41 HydrophobicContact CE2-CG 4.32Å; F37-Q41 HydrophobicContact CZ-CG 4Å; F37-Q41 WeakPolarHBondContact O-CG 3.43Å; F37-Q41 PolarHBondContact O-N 3.48Å
38R82.5Confident84.7Confident121 Ų12185.3 Ų85.346%0.45739%0.392SS..Hα-helixtrans-54.9-48.4173.9-172.5-178.8-174.9-152.55.3111.7E34 Q35 S40 Q41 L42 E76E34-R38 WeakPolarHBondContact O-CB 3.37Å; E34-R38 PolarHBondContact O-N 2.82Å; Q35-R38 PolarHBondContact O-N 3.46Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.21Å; R38-Q41 PolarHBondContact O-N 2.93Å; R38-L42 PolarHBondContact O-N 3.44Å; R38-E76 IonicContact CZ-OE2 3.77Å; R38-E76 IonicContact NH2-OE1 3.84Å; R38-E76 PolarHBondContact NH2-OE1 3.23Å; R38-E76 IonicContact NH2-OE2 2.64Å; R38-E76 PolarHBondContact NH2-OE2 2.83Å
39K85.2Confident85Confident163 Ų16382.2 Ų82.271%0.70938%0.375SS*.Hα-helixtrans-60.7-41.1177-173174.8-177.9175.50111.9Q35 R36 F37 L42 D43Q35-K39 WeakPolarHBondContact O-CB 3.42Å; Q35-K39 PolarHBondContact O-N 3.4Å; R36-K39 PolarHBondContact O-N 2.85Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 2.92Å; K39-L42 PolarHBondContact O-N 3.42Å; K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 2.88Å
40S83.8Confident85.4Confident52 Ų5283.7 Ų83.736%0.36439%0.389SS..Hα-helixtrans-67.5-35.8177.3-174.20000112.7R36 F37 R38 F44R36-S40 WeakPolarHBondContact O-CB 3.48Å; R36-S40 PolarHBondContact O-N 3.23Å; F37-S40 CarbonylContact O-C 3.59Å; F37-S40 WeakPolarHBondContact O-CB 3.5Å; F37-S40 PolarHBondContact O-N 3.39Å; R38-S40 VanDerWaalsContact C-N 3.31Å; R38-S40 PolarHBondContact O-N 3.21Å; S40-F44 WeakPolarHBondContact O-CB 3.44Å; S40-F44 PolarHBondContact O-N 3.1Å
41Q83.3Confident85.9Confident56 Ų5689 Ų8926%0.26241%0.411SS..Hα-helixtrans-67.9-42.4175.5-73.6-178.1-43.600111.1F37 R38 F44 I45 L75F37-Q41 HydrophobicContact CD1-CG 4.37Å; F37-Q41 HydrophobicContact CE1-CG 4.03Å; F37-Q41 HydrophobicContact CE2-CG 4.32Å; F37-Q41 HydrophobicContact CZ-CG 4Å; F37-Q41 WeakPolarHBondContact O-CG 3.43Å; F37-Q41 PolarHBondContact O-N 3.48Å; R38-Q41 PolarHBondContact O-N 2.93Å; Q41-F44 WeakPolarHBondContact O-CB 3.39Å; Q41-F44 PolarHBondContact O-N 3.14Å; Q41-I45 WeakPolarHBondContact O-CG1 3.37Å; Q41-I45 PolarHBondContact O-N 3.3Å; Q41-L75 HydrophobicContact CB-CD2 3.76Å; Q41-L75 HydrophobicContact CG-CD2 4.47Å
42L87.2Confident86.2Confident85 Ų8584.7 Ų84.745%0.44539%0.391SS..Hα-helixtrans-63.3-45176.5-169.862.9000111.8R38 K39 F44 I45 D46R38-L42 PolarHBondContact O-N 3.44Å; K39-L42 PolarHBondContact O-N 3.42Å; L42-F44 VanDerWaalsContact C-N 3.28Å; L42-F44 PolarHBondContact O-N 3.17Å; L42-I45 WeakPolarHBondContact O-CB 3.5Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.09Å; L42-D46 VanDerWaalsContact O-CG 3.31Å; L42-D46 PolarHBondContact O-N 2.98Å
43D89Confident86.5Confident72 Ų7281 Ų8139%0.38538%0.382SS..Hα-helixtrans-60.3-36.5173.9171.976.7000112.5K39 D46 K47K39-D43 WeakPolarHBondContact O-CB 3.37Å; K39-D43 PolarHBondContact O-N 2.88Å; D43-D46 PolarHBondContact O-N 3.24Å; D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 WeakPolarHBondContact O-CG 3.33Å; D43-K47 PolarHBondContact O-N 3.14Å; D43-K47 WeakPolarHBondContact OD1-CE 3.44Å; D43-K47 IonicContact OD1-NZ 3.28Å; D43-K47 PolarHBondContact OD1-NZ 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.28Å; D43-K47 IonicContact OD2-NZ 2.66Å; D43-K47 PolarHBondContact OD2-NZ 3.3Å
44F88.5Confident86.7Confident122 Ų12286.6 Ų86.654%0.53541%0.413SS..Hα-helixtrans-64.9-42.8173173.4-96.9000112S40 Q41 L42 D46 K47 L48S40-F44 WeakPolarHBondContact O-CB 3.44Å; S40-F44 PolarHBondContact O-N 3.1Å; Q41-F44 WeakPolarHBondContact O-CB 3.39Å; Q41-F44 PolarHBondContact O-N 3.14Å; L42-F44 VanDerWaalsContact C-N 3.28Å; L42-F44 PolarHBondContact O-N 3.17Å; F44-D46 VanDerWaalsContact C-N 3.35Å; F44-K47 PolarHBondContact O-N 3.25Å; F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.3Å; F44-L48 PolarHBondContact O-N 3.44Å
45I89.8Confident86.8Confident6 Ų687.3 Ų87.33%0.03142%0.416CS..Hα-helixtrans-62.9-42.3177.3-69.1170.5000110.6Q41 L42 K47 L48 H49 I68 L71 R72 L75Q41-I45 WeakPolarHBondContact O-CG1 3.37Å; Q41-I45 PolarHBondContact O-N 3.3Å; L42-I45 WeakPolarHBondContact O-CB 3.5Å; L42-I45 PolarHBondContact O-N 3.08Å; L42-I45 VanDerWaalsContact O-N 3.09Å; I45-K47 PolarHBondContact O-N 3.28Å; I45-L48 WeakPolarHBondContact O-CB 3.45Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-L48 VanDerWaalsContact O-N 3.16Å; I45-H49 PolarHBondContact O-N 3.4Å; I45-I68 HydrophobicContact CG2-CD1 4.2Å; I45-I68 HydrophobicContact CG2-CG2 3.78Å; I45-L71 HydrophobicContact CD1-CD2 4.47Å; I45-L71 HydrophobicContact CD1-CG 4.33Å; I45-L71 HydrophobicContact CG1-CD2 4.04Å; I45-L71 HydrophobicContact CG1-CG 4.43Å; I45-R72 HydrophobicContact CD1-CG 4.08Å; I45-R72 HydrophobicContact CG2-CG 3.87Å; I45-L75 HydrophobicContact CD1-CD2 3.8Å
46D90.2Very high86.6Confident71 Ų7186.6 Ų86.638%0.3842%0.424SS..Hα-helixtrans-64-41.9178.1-64.5-15.7000111.4L42 D43 F44 L48 H49 A50 R72L42-D46 VanDerWaalsContact O-CG 3.31Å; L42-D46 PolarHBondContact O-N 2.98Å; D43-D46 PolarHBondContact O-N 3.24Å; F44-D46 VanDerWaalsContact C-N 3.35Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.41Å; D46-H49 PolarHBondContact O-N 2.94Å; D46-A50 PolarHBondContact O-N 3.48Å; D46-R72 IonicContact OD1-CZ 2.86Å; D46-R72 IonicContact OD1-NH2 3.48Å; D46-R72 PolarHBondContact OD1-NH2 3.25Å
47K90.8Very high86.3Confident115 Ų11584.7 Ų84.750%0.543%0.432SS..Hα-helixtrans-65.9-34.8173.2-73.8168.9-178.6163.80112.4D43 F44 I45 K51D43-K47 WeakPolarHBondContact O-CB 3.35Å; D43-K47 WeakPolarHBondContact O-CG 3.33Å; D43-K47 PolarHBondContact O-N 3.14Å; D43-K47 WeakPolarHBondContact OD1-CE 3.44Å; D43-K47 IonicContact OD1-NZ 3.28Å; D43-K47 PolarHBondContact OD1-NZ 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.28Å; D43-K47 IonicContact OD2-NZ 2.66Å; D43-K47 PolarHBondContact OD2-NZ 3.3Å; F44-K47 PolarHBondContact O-N 3.25Å; I45-K47 PolarHBondContact O-N 3.28Å; K47-K51 WeakPolarHBondContact O-CB 3.32Å; K47-K51 VanDerWaalsContact O-CG 3.28Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 3.38Å; K47-K51 VanDerWaalsContact O-N 3.07Å
48L89.4Confident85.9Confident48 Ų4885 Ų8525%0.25143%0.433SS..Hα-helixtrans-67-46.5175.7-177.962.8000110.1F44 I45 D46 A50 K51 L52 I68 L71F44-L48 HydrophobicContact CE1-CD2 4.24Å; F44-L48 VanDerWaalsContact O-CB 3.32Å; F44-L48 WeakPolarHBondContact O-CB 3.3Å; F44-L48 PolarHBondContact O-N 3.44Å; I45-L48 WeakPolarHBondContact O-CB 3.45Å; I45-L48 PolarHBondContact O-N 3.46Å; I45-L48 VanDerWaalsContact O-N 3.16Å; D46-L48 VanDerWaalsContact C-N 3.31Å; D46-L48 PolarHBondContact O-N 3.41Å; L48-A50 PolarHBondContact O-N 3.48Å; L48-K51 PolarHBondContact O-N 3.01Å; L48-K51 VanDerWaalsContact O-N 3.11Å; L48-L52 HydrophobicContact CD1-CD1 4.25Å; L48-L52 HydrophobicContact CD1-CD2 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.91Å; L48-L52 HydrophobicContact CG-CG 4.25Å; L48-L52 WeakPolarHBondContact O-CB 3.5Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.46Å; L48-I68 HydrophobicContact CB-CD1 4.41Å; L48-I68 HydrophobicContact CD2-CD1 4.19Å; L48-I68 HydrophobicContact CG-CD1 4.17Å; L48-L71 HydrophobicContact CD2-CD2 3.9Å
49H90.5Very high85.1Confident44 Ų4482.5 Ų82.520%0.20445%0.445CS..Hα-helixtrans-54.3-51.4175.1178.6-106.2000111.4I45 D46 K51 L52 L53 D65 I68I45-H49 PolarHBondContact O-N 3.4Å; D46-H49 PolarHBondContact O-N 2.94Å; H49-K51 VanDerWaalsContact C-N 3.31Å; H49-K51 PolarHBondContact O-N 3.46Å; H49-L52 PolarHBondContact O-N 3.24Å; H49-L53 WeakPolarHBondContact CE1-CD1 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.48Å; H49-L53 PolarHBondContact O-N 2.66Å; H49-D65 IonicContact CD2-OD1 3.56Å; H49-D65 IonicContact CE1-OD1 3.75Å; H49-D65 IonicContact NE2-OD1 2.71Å; H49-D65 PolarHBondContact NE2-OD1 3.33Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 HydrophobicContact CB-CG1 3.86Å; H49-I68 HydrophobicContact CB-CG2 4.31Å
50A90.1Very high84.8Confident47 Ų4776.6 Ų76.639%0.38843%0.43SS..Hα-helixtrans-59.5-39.1176.500000112.8D46 L48 N54D46-A50 PolarHBondContact O-N 3.48Å; L48-A50 PolarHBondContact O-N 3.48Å; A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 PolarHBondContact O-ND2 3.48Å
51K89.8Confident84.9Confident155 Ų15580.2 Ų80.267%0.67444%0.442SS*.Hα-helixtrans-69.7-37.8177.6-78-179.9175.8-167.20112.9K47 L48 H49 N54 H55K47-K51 WeakPolarHBondContact O-CB 3.32Å; K47-K51 VanDerWaalsContact O-CG 3.28Å; K47-K51 WeakPolarHBondContact O-CG 3.48Å; K47-K51 PolarHBondContact O-N 3.38Å; K47-K51 VanDerWaalsContact O-N 3.07Å; L48-K51 PolarHBondContact O-N 3.01Å; L48-K51 VanDerWaalsContact O-N 3.11Å; H49-K51 VanDerWaalsContact C-N 3.31Å; H49-K51 PolarHBondContact O-N 3.46Å; K51-N54 PolarHBondContact O-N 3.07Å; K51-H55 WeakPolarHBondContact O-CB 3.47Å; K51-H55 PolarHBondContact O-N 3.16Å
52L88.3Confident85.1Confident21 Ų2183.3 Ų83.311%0.1146%0.464CS..Hα-helixtrans-69.7-41.3179.3-69.1174.6000111.2L48 H49 N54 H55 F58 V64 L67 I68L48-L52 HydrophobicContact CD1-CD1 4.25Å; L48-L52 HydrophobicContact CD1-CD2 4.5Å; L48-L52 HydrophobicContact CD1-CG 4.14Å; L48-L52 HydrophobicContact CG-CD1 3.91Å; L48-L52 HydrophobicContact CG-CG 4.25Å; L48-L52 WeakPolarHBondContact O-CB 3.5Å; L48-L52 VanDerWaalsContact O-CG 3.25Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.46Å; H49-L52 PolarHBondContact O-N 3.24Å; L52-N54 VanDerWaalsContact C-N 3.25Å; L52-N54 PolarHBondContact O-N 2.83Å; L52-H55 PolarHBondContact O-N 3.37Å; L52-H55 VanDerWaalsContact O-N 3.09Å; L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CD2-CD2 3.82Å; L52-F58 HydrophobicContact CD2-CE1 4.12Å; L52-F58 HydrophobicContact CD2-CE2 3.25Å; L52-F58 HydrophobicContact CD2-CG 4.48Å; L52-F58 HydrophobicContact CD2-CZ 3.43Å; L52-F58 VanDerWaalsContact CD2-CZ 3.43Å; L52-V64 HydrophobicContact CB-CG1 3.57Å; L52-V64 HydrophobicContact CB-CG2 4.13Å; L52-V64 HydrophobicContact CD1-CG1 4.21Å; L52-L67 HydrophobicContact CD1-CD2 4.12Å; L52-I68 HydrophobicContact CD1-CD1 4.07Å; L52-I68 HydrophobicContact CD1-CG1 4.38Å
53L87.1Confident85.1Confident70 Ų7084.6 Ų84.637%0.36647%0.468SS..Hα-helixtrans-61.5-32.3175.3-75176.5000113.2H49 H55 E61 V64H49-L53 WeakPolarHBondContact CE1-CD1 3.25Å; H49-L53 WeakPolarHBondContact O-CG 3.48Å; H49-L53 PolarHBondContact O-N 2.66Å; L53-H55 VanDerWaalsContact C-N 3.32Å; L53-E61 HydrophobicContact CD2-CB 4.11Å; L53-E61 HydrophobicContact CD2-CG 4.02Å; L53-V64 HydrophobicContact CD2-CB 4Å; L53-V64 HydrophobicContact CD2-CG1 4.08Å; L53-V64 HydrophobicContact CD2-CG2 4.26Å; L53-V64 HydrophobicContact CG-CG1 4.05Å
54N85.4Confident85.2Confident139 Ų13981.2 Ų81.274%0.74345%0.45SS*.THydrogen-bonded Turntrans-86.1-1177.7-73-62000113.6A50 K51 L52A50-N54 PolarHBondContact O-N 3.28Å; A50-N54 PolarHBondContact O-ND2 3.48Å; K51-N54 PolarHBondContact O-N 3.07Å; L52-N54 VanDerWaalsContact C-N 3.25Å; L52-N54 PolarHBondContact O-N 2.83Å
55H82.6Confident85.3Confident90 Ų9078.2 Ų78.242%0.41744%0.439SS..  trans-97.4123.7-175.2-170.3-87.1000110.9K51 L52 L53 C57 F58K51-H55 WeakPolarHBondContact O-CB 3.47Å; K51-H55 PolarHBondContact O-N 3.16Å; L52-H55 PolarHBondContact O-N 3.37Å; L52-H55 VanDerWaalsContact O-N 3.09Å; L53-H55 VanDerWaalsContact C-N 3.32Å; H55-C57 VanDerWaalsContact CE1-CB 3.5Å; H55-C57 WeakPolarHBondContact CE1-CB 3.35Å; H55-C57 PolarHBondContact CE1-SG 2.96Å; H55-C57 WeakPolarHBondContact ND1-CB 3.41Å; H55-C57 PolarHBondContact ND1-N 3.05Å; H55-C57 PolarHBondContact O-N 3.09Å; H55-F58 HydrophobicContact CB-CD2 4.04Å; H55-F58 HydrophobicContact CB-CE2 4.44Å; H55-F58 AromaticContact ND1-CD2 3.86Å; H55-F58 AromaticContact ND1-CE2 3.93Å; H55-F58 PolarHBondContact O-N 3.48Å
56P80Confident85.4Confident128 Ų12880.8 Ų80.883%0.83146%0.462SS*.THydrogen-bonded Turntrans-58.9-21.5-173.6-24.632.2000115.4
57C77.8Confident85.3Confident106 Ų10681.5 Ų81.572%0.71647%0.465SS*.THydrogen-bonded Turntrans-83.1-6.6-175.1-55.90000115.4H55H55-C57 VanDerWaalsContact CE1-CB 3.5Å; H55-C57 WeakPolarHBondContact CE1-CB 3.35Å; H55-C57 PolarHBondContact CE1-SG 2.96Å; H55-C57 WeakPolarHBondContact ND1-CB 3.41Å; H55-C57 PolarHBondContact ND1-N 3.05Å; H55-C57 PolarHBondContact O-N 3.09Å
58F73.6Confident85.4Confident73 Ų7376.1 Ų76.132%0.3244%0.442SS..SBendtrans-97.8128.2177-69.3-82.8000110.3L52 H55 G60 V64 L67L52-F58 HydrophobicContact CB-CD2 4.44Å; L52-F58 HydrophobicContact CD2-CD2 3.82Å; L52-F58 HydrophobicContact CD2-CE1 4.12Å; L52-F58 HydrophobicContact CD2-CE2 3.25Å; L52-F58 HydrophobicContact CD2-CG 4.48Å; L52-F58 HydrophobicContact CD2-CZ 3.43Å; L52-F58 VanDerWaalsContact CD2-CZ 3.43Å; H55-F58 HydrophobicContact CB-CD2 4.04Å; H55-F58 HydrophobicContact CB-CE2 4.44Å; H55-F58 AromaticContact ND1-CD2 3.86Å; H55-F58 AromaticContact ND1-CE2 3.93Å; H55-F58 PolarHBondContact O-N 3.48Å; F58-G60 PolarHBondContact O-N 3.22Å; F58-V64 HydrophobicContact CB-CG2 3.64Å; F58-V64 HydrophobicContact CG-CG2 4.17Å; F58-L67 HydrophobicContact CE1-CD2 4.47Å
59G64.6Low85.5Confident69 Ų6976.9 Ų76.971%0.71145%0.451SS*.  trans-79.938.3-16300000115.7E63G59-E63 WeakPolarHBondContact CA-OE2 3.43Å; G59-E63 PolarHBondContact N-OE2 3.36Å
60G78.8Confident85.5Confident39 Ų3981.8 Ų81.840%0.40247%0.472SS..  trans116.3162.7177.800000114F58 T62 E63 V64F58-G60 PolarHBondContact O-N 3.22Å; G60-T62 VanDerWaalsContact C-N 3.25Å; G60-T62 PolarHBondContact O-N 3.5Å; G60-E63 PolarHBondContact O-N 3Å; G60-V64 PolarHBondContact O-N 2.93Å
61E85.7Confident85.5Confident129 Ų12982.6 Ų82.660%0.60347%0.469SS*.Hα-helixtrans-54.7-39.7-177.5-174.9171.8-165.900112.4L53 E63 V64 D65L53-E61 HydrophobicContact CD2-CB 4.11Å; L53-E61 HydrophobicContact CD2-CG 4.02Å; E61-E63 PolarHBondContact O-N 2.98Å; E61-V64 PolarHBondContact O-N 3.36Å; E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.24Å; E61-D65 PolarHBondContact O-N 2.99Å
62T88.6Confident85.4Confident120 Ų12080.1 Ų80.174%0.73646%0.456SS*.Hα-helixtrans-61.7-38.9-179-48.70000113.7G60 A66G60-T62 VanDerWaalsContact C-N 3.25Å; G60-T62 PolarHBondContact O-N 3.5Å; T62-A66 WeakPolarHBondContact O-CB 3.26Å; T62-A66 PolarHBondContact O-N 3.45Å
63E87.2Confident85.5Confident112 Ų11282.9 Ų82.952%0.52347%0.474SS..Hα-helixtrans-71.8-41.9-179.7-172.5-180-165.200110.8G59 G60 E61 A66 L67G59-E63 WeakPolarHBondContact CA-OE2 3.43Å; G59-E63 PolarHBondContact N-OE2 3.36Å; G60-E63 PolarHBondContact O-N 3Å; E61-E63 PolarHBondContact O-N 2.98Å; E63-A66 PolarHBondContact O-N 3.4Å; E63-L67 PolarHBondContact O-N 2.95Å
64V90.3Very high85.4Confident1 Ų184.8 Ų84.81%0.00648%0.481CS..Hα-helixtrans-63.8-43.6176.4178.50000110.6L52 L53 F58 G60 E61 A66 L67 I68L52-V64 HydrophobicContact CB-CG1 3.57Å; L52-V64 HydrophobicContact CB-CG2 4.13Å; L52-V64 HydrophobicContact CD1-CG1 4.21Å; L53-V64 HydrophobicContact CD2-CB 4Å; L53-V64 HydrophobicContact CD2-CG1 4.08Å; L53-V64 HydrophobicContact CD2-CG2 4.26Å; L53-V64 HydrophobicContact CG-CG1 4.05Å; F58-V64 HydrophobicContact CB-CG2 3.64Å; F58-V64 HydrophobicContact CG-CG2 4.17Å; G60-V64 PolarHBondContact O-N 2.93Å; E61-V64 PolarHBondContact O-N 3.36Å; V64-A66 PolarHBondContact O-N 3.3Å; V64-L67 PolarHBondContact O-N 2.62Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.49Å; V64-I68 WeakPolarHBondContact O-CG1 3.5Å; V64-I68 PolarHBondContact O-N 3.06Å
65D91.1Very high85.3Confident59 Ų5980.4 Ų80.432%0.31646%0.457SS..Hα-helixtrans-63.2-41177.6-75.7-13.2000112.3H49 E61 S69H49-D65 IonicContact CD2-OD1 3.56Å; H49-D65 IonicContact CE1-OD1 3.75Å; H49-D65 IonicContact NE2-OD1 2.71Å; H49-D65 PolarHBondContact NE2-OD1 3.33Å; E61-D65 WeakPolarHBondContact O-CB 3.3Å; E61-D65 VanDerWaalsContact O-CG 3.24Å; E61-D65 PolarHBondContact O-N 2.99Å; D65-S69 WeakPolarHBondContact O-CB 3.47Å; D65-S69 PolarHBondContact O-N 3.41Å; D65-S69 PolarHBondContact O-OG 3.42Å
66A90.9Very high85.3Confident60 Ų6079.5 Ų79.550%0.49645%0.453SS..Hα-helixtrans-63.3-43.7175.600000111.6T62 E63 V64 S69 K70T62-A66 WeakPolarHBondContact O-CB 3.26Å; T62-A66 PolarHBondContact O-N 3.45Å; E63-A66 PolarHBondContact O-N 3.4Å; V64-A66 PolarHBondContact O-N 3.3Å; A66-S69 PolarHBondContact O-N 3.22Å; A66-K70 WeakPolarHBondContact O-CB 3.49Å; A66-K70 PolarHBondContact O-N 3.34Å
67L89.9Confident85.4Confident86 Ų8677.3 Ų77.345%0.4543%0.434SS..Hα-helixtrans-63.9-46.2177.7-178.263.9000111.8L52 F58 E63 V64 K70 L71L52-L67 HydrophobicContact CD1-CD2 4.12Å; F58-L67 HydrophobicContact CE1-CD2 4.47Å; E63-L67 PolarHBondContact O-N 2.95Å; V64-L67 PolarHBondContact O-N 2.62Å; L67-K70 PolarHBondContact O-N 3.44Å; L67-L71 PolarHBondContact O-N 3.49Å
68I91.6Very high85.3Confident3 Ų377.5 Ų77.52%0.01543%0.428CS..Hα-helixtrans-66.8-39179.1-70.2-66000111.3I45 L48 H49 L52 V64 L71 R72I45-I68 HydrophobicContact CG2-CD1 4.2Å; I45-I68 HydrophobicContact CG2-CG2 3.78Å; L48-I68 HydrophobicContact CB-CD1 4.41Å; L48-I68 HydrophobicContact CD2-CD1 4.19Å; L48-I68 HydrophobicContact CG-CD1 4.17Å; H49-I68 HydrophobicContact CB-CD1 4.02Å; H49-I68 HydrophobicContact CB-CG1 3.86Å; H49-I68 HydrophobicContact CB-CG2 4.31Å; L52-I68 HydrophobicContact CD1-CD1 4.07Å; L52-I68 HydrophobicContact CD1-CG1 4.38Å; V64-I68 HydrophobicContact CG1-CG1 4.31Å; V64-I68 WeakPolarHBondContact O-CB 3.49Å; V64-I68 WeakPolarHBondContact O-CG1 3.5Å; V64-I68 PolarHBondContact O-N 3.06Å; I68-L71 PolarHBondContact O-N 3.48Å; I68-R72 WeakPolarHBondContact O-CG 3.46Å; I68-R72 PolarHBondContact O-N 3.33Å
69S91.2Very high85.1Confident64 Ų6477.5 Ų77.545%0.44843%0.426SS..Hα-helixtrans-63.2-41.5175.2-62.50000111.9D65 A66 R72 T73D65-S69 WeakPolarHBondContact O-CB 3.47Å; D65-S69 PolarHBondContact O-N 3.41Å; D65-S69 PolarHBondContact O-OG 3.42Å; A66-S69 PolarHBondContact O-N 3.22Å; S69-R72 PolarHBondContact O-N 2.93Å; S69-T73 WeakPolarHBondContact O-CB 3.49Å; S69-T73 PolarHBondContact O-N 3.34Å; S69-T73 PolarHBondContact O-OG1 3.11Å
70K91.8Very high85.3Confident147 Ų14781.1 Ų81.164%0.63942%0.419SS*.Hα-helixtrans-61.7-47174.4-174.9177178.5-177.70111.4A66 L67 R72 T73 E74A66-K70 WeakPolarHBondContact O-CB 3.49Å; A66-K70 PolarHBondContact O-N 3.34Å; L67-K70 PolarHBondContact O-N 3.44Å; K70-R72 PolarHBondContact O-N 3Å; K70-T73 PolarHBondContact O-N 3.21Å; K70-E74 PolarHBondContact O-N 2.94Å
71L89.2Confident84.5Confident63 Ų6384.7 Ų84.733%0.3343%0.433SS..Hα-helixtrans-61.6-42.2178.9-176.762.6000112.4I45 L48 L67 I68 L75I45-L71 HydrophobicContact CD1-CD2 4.47Å; I45-L71 HydrophobicContact CD1-CG 4.33Å; I45-L71 HydrophobicContact CG1-CD2 4.04Å; I45-L71 HydrophobicContact CG1-CG 4.43Å; L48-L71 HydrophobicContact CD2-CD2 3.9Å; L67-L71 PolarHBondContact O-N 3.49Å; I68-L71 PolarHBondContact O-N 3.48Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 PolarHBondContact O-N 3Å
72R89.1Confident83Confident103 Ų10383.3 Ų83.339%0.38943%0.429SS..Hα-helixtrans-63.1-41.3174.9-75.7-177.8175153.8-3.4112.1I45 D46 I68 S69 K70 L75 E76I45-R72 HydrophobicContact CD1-CG 4.08Å; I45-R72 HydrophobicContact CG2-CG 3.87Å; D46-R72 IonicContact OD1-CZ 2.86Å; D46-R72 IonicContact OD1-NH2 3.48Å; D46-R72 PolarHBondContact OD1-NH2 3.25Å; I68-R72 WeakPolarHBondContact O-CG 3.46Å; I68-R72 PolarHBondContact O-N 3.33Å; S69-R72 PolarHBondContact O-N 2.93Å; K70-R72 PolarHBondContact O-N 3Å; R72-L75 PolarHBondContact O-N 3.11Å; R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 PolarHBondContact O-N 3.36Å
73T88.6Confident81.5Confident80 Ų8081.9 Ų81.949%0.49142%0.415SS..Hα-helixtrans-66.6-43.6179.6-55.90000111.5S69 K70 L75 E76 N77S69-T73 WeakPolarHBondContact O-CB 3.49Å; S69-T73 PolarHBondContact O-N 3.34Å; S69-T73 PolarHBondContact O-OG1 3.11Å; K70-T73 PolarHBondContact O-N 3.21Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.11Å; T73-E76 PolarHBondContact O-N 3.09Å; T73-N77 WeakPolarHBondContact O-CB 3.46Å; T73-N77 PolarHBondContact O-N 3.33Å; T73-N77 PolarHBondContact O-ND2 3.31Å
74E85.1Confident79.7Confident109 Ų10984.9 Ų84.951%0.50942%0.422SS..Hα-helixtrans-59.8-45.7175.6-171.1171.4168.700110.9K70 E76 N77 D78K70-E74 PolarHBondContact O-N 2.94Å; E74-E76 PolarHBondContact O-N 2.76Å; E74-N77 WeakPolarHBondContact O-CB 3.45Å; E74-N77 PolarHBondContact O-N 3.35Å; E74-D78 PolarHBondContact O-N 3.11Å
75L83.5Confident77.7Confident47 Ų4787.6 Ų87.625%0.24645%0.445CS..Hα-helixtrans-64.3-37.9178.1-17365.2000113.4Q41 I45 L71 R72 T73 Y79Q41-L75 HydrophobicContact CB-CD2 3.76Å; Q41-L75 HydrophobicContact CG-CD2 4.47Å; I45-L75 HydrophobicContact CD1-CD2 3.8Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 PolarHBondContact O-N 3Å; R72-L75 PolarHBondContact O-N 3.11Å; T73-L75 VanDerWaalsContact C-N 3.33Å; T73-L75 PolarHBondContact O-N 3.11Å; L75-Y79 PolarHBondContact O-N 3.38Å
76E83.1Confident75.9Confident71 Ų7186.9 Ų86.933%0.33245%0.451SS..Hα-helixtrans-71.6-32.1176.5-170.867.6-155.900111.7R38 R72 T73 E74 Y79 R80R38-E76 IonicContact CZ-OE2 3.77Å; R38-E76 IonicContact NH2-OE1 3.84Å; R38-E76 PolarHBondContact NH2-OE1 3.23Å; R38-E76 IonicContact NH2-OE2 2.64Å; R38-E76 PolarHBondContact NH2-OE2 2.83Å; R72-E76 WeakPolarHBondContact O-CB 3.42Å; R72-E76 PolarHBondContact O-N 3.36Å; T73-E76 PolarHBondContact O-N 3.09Å; E74-E76 PolarHBondContact O-N 2.76Å; E76-Y79 PolarHBondContact O-N 3.45Å; E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 VanDerWaalsContact O-N 3.11Å
77N81.8Confident73.9Confident82 Ų8289.4 Ų89.444%0.43945%0.453SS..Hα-helixtrans-67.2-44.4173.9-72.1-21.4000111.6T73 E74 Y79 R80 T81T73-N77 WeakPolarHBondContact O-CB 3.46Å; T73-N77 PolarHBondContact O-N 3.33Å; T73-N77 PolarHBondContact O-ND2 3.31Å; E74-N77 WeakPolarHBondContact O-CB 3.45Å; E74-N77 PolarHBondContact O-N 3.35Å; N77-Y79 PolarHBondContact O-N 3.06Å; N77-R80 PolarHBondContact O-N 2.97Å; N77-R80 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-N 3.19Å; N77-T81 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-OG1 2.86Å
78D75.2Confident72.1Confident110 Ų11088.8 Ų88.859%0.58846%0.456SS*.Hα-helixtrans-56.2-35.3175.6-73.6-14.2000111.8E74E74-D78 PolarHBondContact O-N 3.11Å
79Y69.4Low70.1Confident73 Ų7394.1 Ų94.129%0.28648%0.483SS..Hα-helixtrans-70.1-46.9175.4179.5-99.5000112.5L75 E76 N77 T81 N82 E83L75-Y79 PolarHBondContact O-N 3.38Å; E76-Y79 PolarHBondContact O-N 3.45Å; N77-Y79 PolarHBondContact O-N 3.06Å; Y79-T81 VanDerWaalsContact C-N 3.29Å; Y79-T81 PolarHBondContact O-N 3.39Å; Y79-N82 VanDerWaalsContact O-CB 3.3Å; Y79-N82 WeakPolarHBondContact O-CB 3.43Å; Y79-N82 PolarHBondContact O-N 2.64Å; Y79-E83 HydrophobicContact CE1-CG 3.9Å; Y79-E83 VanDerWaalsContact CE1-OE1 3.26Å; Y79-E83 WeakPolarHBondContact CE1-OE1 3.34Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.3Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-OE1 3.24Å; Y79-E83 PolarHBondContact O-N 2.98Å; Y79-E83 PolarHBondContact OH-OE1 3.29Å
80R69.9Low68.1Low146 Ų14696.3 Ų96.355%0.55149%0.49SS*.Hα-helixtrans-64-34.3-176.9-167.5-179.7-53.6-166.73.6112.9E76 N77 N82 E83 Y84E76-R80 PolarHBondContact O-N 3.47Å; E76-R80 VanDerWaalsContact O-N 3.11Å; N77-R80 PolarHBondContact O-N 2.97Å; N77-R80 VanDerWaalsContact O-N 3.11Å; R80-N82 PolarHBondContact O-N 2.82Å; R80-E83 PolarHBondContact O-N 2.86Å; R80-E83 VanDerWaalsContact O-N 3.14Å; R80-Y84 PolarHBondContact O-N 3.48Å
81T60.9Low65.9Low114 Ų11496.7 Ų96.770%0.69949%0.494SS*.Hα-helixtrans-61.2-22.6175.6-58.20000112.2N77 Y79N77-T81 PolarHBondContact O-N 3.19Å; N77-T81 VanDerWaalsContact O-N 3.11Å; N77-T81 PolarHBondContact O-OG1 2.86Å; Y79-T81 VanDerWaalsContact C-N 3.29Å; Y79-T81 PolarHBondContact O-N 3.39Å
82N55.7Low64Low99 Ų9996.5 Ų96.553%0.52950%0.498SS..Hα-helixtrans-82.3-34.5174.2-169.939.4000113.3Y79 R80Y79-N82 VanDerWaalsContact O-CB 3.3Å; Y79-N82 WeakPolarHBondContact O-CB 3.43Å; Y79-N82 PolarHBondContact O-N 2.64Å; R80-N82 PolarHBondContact O-N 2.82Å
83E55.5Low62.2Low91 Ų9196.9 Ų96.943%0.42551%0.507SS..Hα-helixtrans-71.6-35.1-177.7-72.8-170.7144.500113.1Y79 R80 A85 G86 E87Y79-E83 HydrophobicContact CE1-CG 3.9Å; Y79-E83 VanDerWaalsContact CE1-OE1 3.26Å; Y79-E83 WeakPolarHBondContact CE1-OE1 3.34Å; Y79-E83 VanDerWaalsContact CE1-OE2 3.3Å; Y79-E83 WeakPolarHBondContact CE1-OE2 3.46Å; Y79-E83 VanDerWaalsContact CZ-OE1 3.24Å; Y79-E83 PolarHBondContact O-N 2.98Å; Y79-E83 PolarHBondContact OH-OE1 3.29Å; R80-E83 PolarHBondContact O-N 2.86Å; R80-E83 VanDerWaalsContact O-N 3.14Å; E83-A85 PolarHBondContact O-N 3.49Å; E83-G86 PolarHBondContact O-N 3.29Å; E83-G86 VanDerWaalsContact O-N 3.08Å; E83-E87 PolarHBondContact O-N 3.38Å
84Y49.6Very low60.4Low175 Ų175100.1 Ų100.169%0.68652%0.516SS*.Hα-helixtrans-66.8-23.9179.7-122.9-91.2000113.7R80R80-Y84 PolarHBondContact O-N 3.48Å
85A49.5Very low58.6Low58 Ų5898.5 Ų98.548%0.47952%0.517SS..Hα-helixtrans-73.6-31.7174.600000111.8E83 S88E83-A85 PolarHBondContact O-N 3.49Å; A85-S88 PolarHBondContact O-OG 2.9Å
86G52.3Low57.1Low43 Ų43102.9 Ų102.944%0.44354%0.541SS..Hα-helixtrans-74-33.4177.700000113.8E83 L89E83-G86 PolarHBondContact O-N 3.29Å; E83-G86 VanDerWaalsContact O-N 3.08Å; G86-L89 PolarHBondContact O-N 3.48Å
87E49.6Very low55.7Low114 Ų114105.6 Ų105.653%0.53356%0.557SS.*Hα-helixtrans-68.4-35.3-180-71.2172.9163.800112.2E83 L89 N90 E91E83-E87 PolarHBondContact O-N 3.38Å; E87-L89 PolarHBondContact O-N 3.35Å; E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.14Å; E87-E91 PolarHBondContact O-N 3.02Å
88S52.3Low53.9Low73 Ų73109 Ų10951%0.5158%0.575SS.*Hα-helixtrans-63.1-26.5175.3740000113.9A85 S92A85-S88 PolarHBondContact O-OG 2.9Å; S88-S92 PolarHBondContact O-N 2.86Å
89L48.4Very low52.5Low114 Ų114109 Ų10960%0.59758%0.583SS**Hα-helixtrans-79.5-27.8177-72.8172.3000112.5G86 E87 S92 I93G86-L89 PolarHBondContact O-N 3.48Å; E87-L89 PolarHBondContact O-N 3.35Å; L89-S92 PolarHBondContact O-N 2.99Å; L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.32Å
90N49Very low51.2Low111 Ų111109.8 Ų109.859%0.59461%0.605SS**Hα-helixtrans-73.9-37.2178.7-159.69.9000111.7E87 S92 I93 Q94E87-N90 PolarHBondContact O-N 3.02Å; E87-N90 VanDerWaalsContact O-N 3.14Å; N90-S92 VanDerWaalsContact C-N 3.31Å; N90-S92 PolarHBondContact O-N 3.21Å; N90-I93 PolarHBondContact O-N 2.8Å; N90-Q94 PolarHBondContact O-N 3.47Å
91E45.8Very low50.2Low154 Ų154107 Ų10772%0.7261%0.613SS**Hα-helixtrans-65-33.1170.9-91.1-175.9153.800112.6E87 I93 Q94 S95E87-E91 PolarHBondContact O-N 3.02Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 2.99Å; E91-Q94 PolarHBondContact O-N 3.25Å; E91-S95 PolarHBondContact O-N 2.93Å
92S49.9Very low49.8Very low59 Ų59108.1 Ų108.141%0.41362%0.619SS.*Hα-helixtrans-71-23.5176.4-174.40000113.8S88 L89 N90 S95S88-S92 PolarHBondContact O-N 2.86Å; L89-S92 PolarHBondContact O-N 2.99Å; N90-S92 VanDerWaalsContact C-N 3.31Å; N90-S92 PolarHBondContact O-N 3.21Å; S92-S95 PolarHBondContact O-OG 3.46Å
93I50.8Low49.3Very low112 Ų112110.9 Ų110.957%0.57463%0.633SS**Hα-helixtrans-83.2-28.3179.2-67.4168.8000110.8L89 N90 E91 N97L89-I93 WeakPolarHBondContact O-CG1 3.38Å; L89-I93 PolarHBondContact O-N 3.32Å; N90-I93 PolarHBondContact O-N 2.8Å; E91-I93 VanDerWaalsContact C-N 3.32Å; E91-I93 PolarHBondContact O-N 2.99Å; I93-N97 PolarHBondContact O-ND2 2.71Å
94Q50.4Low48.8Very low148 Ų148114.7 Ų114.769%0.69265%0.65SS**Hα-helixtrans-78.2-29.4172.6-95.5177.4-4.400113.5N90 E91 N97N90-Q94 PolarHBondContact O-N 3.47Å; E91-Q94 PolarHBondContact O-N 3.25Å; Q94-N97 PolarHBondContact O-N 3.44Å
95S48.8Very low48.6Very low75 Ų75113.3 Ų113.352%0.52466%0.655SS.*Hα-helixtrans-75.7-20.7179.265.70000114.8E91 S92 N97E91-S95 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-OG 3.46Å; S95-N97 VanDerWaalsContact C-N 3.3Å; S95-N97 PolarHBondContact O-N 3.22Å
96N51.9Low48.7Very low138 Ų138118.8 Ų118.874%0.73867%0.67SS**THydrogen-bonded Turntrans-82.5-1.4175.4-89.1-12.9000114.6
97N53.7Low48.4Very low128 Ų128121.4 Ų121.468%0.68468%0.68SS**THydrogen-bonded Turntrans-97.56.4178.7-73.2-50.5000114I93 Q94 S95I93-N97 PolarHBondContact O-ND2 2.71Å; Q94-N97 PolarHBondContact O-N 3.44Å; S95-N97 VanDerWaalsContact C-N 3.3Å; S95-N97 PolarHBondContact O-N 3.22Å
98L43.6Very low48.2Very low155 Ų155121.7 Ų121.781%0.81269%0.694SS**  trans-139.767.7-174.7-85163.7000112.2
99S45.8Very low48.1Very low108 Ų108125.4 Ų125.476%0.75571%0.708SS**  trans-165.4102.6154.3128.60000106.9
100A42.2Very low47.8Very low91 Ų91124.6 Ų124.675%0.75271%0.71SS**  79.1136.180.700000112
101A48.7Very low47.9Very low86 Ų86126.1 Ų126.171%0.71172%0.723SS**  trans68.290.5160.800000114.9
102V52.2Low48.4Very low138 Ų138125.7 Ų125.784%0.83673%0.725SS**  5884.787.7-177.40000109.8H104V102-H104 PolarHBondContact O-N 2.93Å
103I45.1Very low48.2Very low158 Ų158128.2 Ų128.281%0.8174%0.74SS**  trans-53.5115.5161.5-60.8167.4000107.1
104H46.1Very low48.1Very low170 Ų170129.5 Ų129.579%0.78775%0.752SS**  trans-170.9147.6149.1-104-67.7000113.4V102V102-H104 PolarHBondContact O-N 2.93Å
105D45.5Very low47.9Very low146 Ų146127.3 Ų127.378%0.78175%0.754SS**  trans89126.6172.4-77.5-9.3000118.2
106Q50.3Low48.1Very low173 Ų173132.3 Ų132.381%0.80877%0.769SS**  cis-154.8175.330.9-128.4-163.1-63.600111.6
107P46.5Very low47.7Very low99 Ų99132.1 Ų132.164%0.64377%0.773SS**  -120.4150.8-119.430.7-8.8000113.9
108S45.6Very low47.4Very low120 Ų120131.6 Ų131.684%0.83978%0.778SS**  trans-150.3100.7154.4-116.60000111.8
109N49.9Very low47.4Very low150 Ų150129.7 Ų129.780%0.80277%0.774SS**  trans50.3136.1157.6-87-30.3000121.8
110P41.1Very low47.3Very low98 Ų98130.9 Ų130.964%0.63678%0.777SS**  trans-88120.2-161.234.9-29.6000111.1L112P110-L112 PolarHBondContact O-N 3.01Å
111V52Low47.9Very low143 Ų143135.4 Ų135.487%0.86778%0.782SS**  trans-85.596.2161.3179.80000106.8
112L55.8Low47.9Very low144 Ų144134.1 Ų134.175%0.75478%0.778SS**  trans-62.1128.5173-71.5170.1000109.7P110P110-L112 PolarHBondContact O-N 3.01Å
113P47.1Very low47.7Very low113 Ų113133.5 Ų133.573%0.73478%0.776SS**  trans-87124.8174.233.1-27.4000108.9
114V47.3Very low47.9Very low138 Ų138132 Ų13284%0.83678%0.78SS**  trans-101.6109.3164.41760000107.5
115S46.3Very low47.9Very low102 Ų102132.2 Ų132.271%0.71379%0.786SS**  trans-62.8129.9168.9-43.50000110.1
116E52.8Low48.1Very low181 Ų181132.7 Ų132.785%0.84679%0.787SS**  trans-171115.5142.4-108.6170.8175.900112.3
117T44.4Very low48Very low133 Ų133129.6 Ų129.682%0.81678%0.776SS**  trans78.4120.8139.6-49.20000121.3
118C47.9Very low48Very low117 Ų117130.9 Ų130.979%0.79178%0.784SS**  trans-46.8178.2167.6-58.20000116
119P43.6Very low48.2Very low115 Ų115132 Ų13275%0.74778%0.776SS**  cis-135.41602.426.9-3000116.9
120V43.5Very low48.2Very low133 Ų133131.6 Ų131.681%0.80678%0.779SS**  trans6.1113.9144.1-177.60000117.5
121H55.2Low48.3Very low186 Ų186135.6 Ų135.686%0.86179%0.787SS**  trans-166.7108.2136.5-112.9-76.7000109.3
122G47.4Very low48Very low60 Ų60140.6 Ų140.662%0.61979%0.79SS**  trans-92.4-168156.200000109.6
123P48.7Very low47.2Very low124 Ų124138.3 Ų138.381%0.80579%0.792SS**  cis-123.2175.6-29.737.1-22.7000109.9
124S48Very low47.3Very low126 Ų126137.6 Ų137.688%0.88179%0.79SS**  trans-164.8105.6151.7-80.10000110.5
125L47.9Very low47.4Very low175 Ų175137.7 Ų137.792%0.91679%0.786SS**  trans-90.9147.4166.8-145.6128.8000109
126I48.4Very low47.4Very low157 Ų157141.3 Ų141.381%0.80579%0.791SS**  trans-65.1139.1-157.6-68.9146.4000114.5
127N48.7Very low47.1Very low108 Ų108138.7 Ų138.758%0.57879%0.793SS**  trans-18.8153.3163.4-135.53000117.7E129N127-E129 PolarHBondContact OD1-N 2.87Å
128P45.8Very low47Very low125 Ų125137.5 Ų137.581%0.81279%0.79SS**  -138.2138.387.633.4-18000115
129E50.5Low46.8Very low144 Ų144137 Ų13767%0.67379%0.788SS**  trans-61130.1170-83.5174.1106.300111.6N127N127-E129 PolarHBondContact OD1-N 2.87Å
130T50.7Low46.8Very low142 Ų142137 Ų13787%0.87179%0.79SS**  -157.8123123.9-72.80000109.2
131K42.8Very low46.7Very low181 Ų181137.4 Ų137.479%0.78778%0.783SS**  trans-61.4135.2-179.1-68.2166.5173.9170.40112.7
132R44.8Very low46.1Very low248 Ų248140.2 Ų140.294%0.93679%0.786SS**  -174.6144104.5-101-168177.8168.41.9112.4
133A40.1Very low46Very low96 Ų96144.2 Ų144.279%0.79379%0.793SS**  trans-48.7152.7175.100000112.4
134S48.1Very low45.9Very low99 Ų99142.6 Ų142.669%0.69278%0.778SS**  cis-174.6150.643.943.30000109.6
135N49.4Very low45.8Very low140 Ų140144.2 Ų144.275%0.74978%0.775SS**  trans76.7107.3154.2-61.65.4000119.6
136E47.1Very low45.7Very low178 Ų178144 Ų14483%0.83277%0.774SS**  48.599.6126.5-62.7-177.113700118.4
137S46.5Very low45.7Very low126 Ų126145 Ų14588%0.88178%0.78SS**  162.7149115.950.60000111.7
138S41.2Very low45.6Very low108 Ų108145.1 Ų145.176%0.75579%0.79SS**  trans-91.9144.5-155.4-46.80000114
139S43.9Very low45.8Very low106 Ų106143.5 Ų143.574%0.74179%0.787SS**  trans55.6136.7141.367.10000122.3
140S44.7Very low45.5Very low114 Ų114144.7 Ų144.780%0.79780%0.796SS**  trans91.499.4146.677.40000118.2
141Q40.9Very low45Very low142 Ų142147.6 Ų147.666%0.66480%0.797SS**  trans-166.692.5130.8-128.3179.9-38.100109.7N144Q141-N144 WeakPolarHBondContact CB-OD1 3.37Å; Q141-N144 VanDerWaalsContact CG-OD1 3.23Å; Q141-N144 WeakPolarHBondContact CG-OD1 3.21Å; Q141-N144 PolarHBondContact NE2-ND2 3.36Å; Q141-N144 PolarHBondContact NE2-OD1 3.31Å
142R43.2Very low45.3Very low245 Ų245146.7 Ų146.793%0.92580%0.799SS**  trans-108.356.8157.9-82.2-166.9178138.6-1.2107.4
143D44.3Very low45.7Very low144 Ų144139.2 Ų139.277%0.7779%0.79SS**  trans-148.260.8-178.8-72.1-49.8000109.7
144N46.1Very low46.1Very low91 Ų91139.5 Ų139.549%0.48779%0.792SS.*  trans-145.6-9-170.2-40.441.2000117.1Q141Q141-N144 WeakPolarHBondContact CB-OD1 3.37Å; Q141-N144 VanDerWaalsContact CG-OD1 3.23Å; Q141-N144 WeakPolarHBondContact CG-OD1 3.21Å; Q141-N144 PolarHBondContact NE2-ND2 3.36Å; Q141-N144 PolarHBondContact NE2-OD1 3.31Å
145I46.9Very low45.9Very low159 Ų159140.8 Ų140.882%0.81580%0.795SS**SBendtrans-108.3-9.3-162.3-56.7-178.5000114.8
146L46.1Very low45.9Very low171 Ų171140 Ų14090%0.89580%0.798SS**SBendtrans-118.18-176.4-130.9126.9000116.3
147L46.9Very low45.8Very low178 Ų178136.1 Ų136.193%0.93280%0.797SS**SBendtrans-98.54.7-175.8-120100.8000115.4
148S48.7Very low46Very low111 Ų111138 Ų13878%0.77679%0.791SS**SBendtrans-106.32.3-168.360.10000116.6
149A48.7Very low46.6Very low91 Ų91140.5 Ų140.575%0.75279%0.791SS**SBendtrans-113.10.2-168.100000117.1
150I45.3Very low46.7Very low168 Ų168144.7 Ų144.786%0.86280%0.798SS**  trans-116.976.7178.2-53.3178.1000109.7
151K40.2Very low47.4Very low204 Ų204145 Ų14589%0.88780%0.796SS**  trans-116.184166.4-172.6176.8-176.9178.60107.6
152I48.9Very low47.7Very low162 Ų162146.1 Ų146.183%0.83180%0.801SS**  trans-123.6119.1169-59.7180000107.3
153A52.5Low48.4Very low91 Ų91141.5 Ų141.575%0.75280%0.795SS**PPolyproline II helixtrans-59.7145.2-16900000113.5
154A47.7Very low48.6Very low102 Ų102143.6 Ų143.684%0.84380%0.797SS**PPolyproline II helixtrans-70.9142.9165.800000111
155V45.9Very low48.7Very low125 Ų125145 Ų14576%0.75881%0.814SS**PPolyproline II helixtrans-62.9163.3-177.3176.30000112.3
156P48.3Very low48.9Very low125 Ų125142.5 Ų142.581%0.81281%0.811SS**  -134.2148.9114.432.3-18.6000113.4
157A46Very low49.1Very low96 Ų96139.6 Ų139.679%0.79381%0.805SS**PPolyproline II helixtrans-56.7133.9177.600000111.2
158H49.9Very low49.3Very low164 Ų164137.2 Ų137.276%0.75980%0.797SS**PPolyproline II helixtrans-97.6140.1167.1-179.5-79.4000109.7
159E53.7Low49.9Very low162 Ų162139.4 Ų139.476%0.75780%0.799SS**PPolyproline II helixtrans-57.1160.9-176.3-69.1169.913700115.1
160E46.3Very low50.1Low193 Ų193142.6 Ų142.690%0.90280%0.803SS**  trans-44.7141.2175-69.2174.5124.200113.7
161T58.4Low50.4Low120 Ų120141.6 Ų141.674%0.73681%0.806SS**  trans-135.9108156.2-61.70000108.3N163T161-N163 PolarHBondContact O-N 3.04Å
162E48.8Very low51.2Low167 Ų167140 Ų14078%0.7880%0.801SS**  trans-60.4114169.5-173-174.8175.300109.7
163N56.1Low51.6Low147 Ų147137.1 Ų137.179%0.78680%0.802SS**  trans-110.486.4167.959.1-17.7000110T161 S165T161-N163 PolarHBondContact O-N 3.04Å; N163-S165 PolarHBondContact O-N 2.73Å
164K49.2Very low51.8Low189 Ų189137.3 Ų137.382%0.82280%0.795SS**  trans-64.1110.5164.8-158.9170.8-167.71680108.3
165S49.2Very low52.3Low121 Ų121138.7 Ų138.785%0.84679%0.789SS**  trans-120.2113.9171.7-146.60000109.9N163N163-S165 PolarHBondContact O-N 2.73Å
166S49.7Very low52.4Low106 Ų106139.9 Ų139.974%0.74179%0.786SS**  trans-85.4164.1-17751.50000113.4
167S50.7Low52.4Low110 Ų110141.2 Ų141.277%0.76978%0.784SS**  trans100.4117.8158.196.20000115
168V52.4Low52.7Low127 Ų127143.1 Ų143.177%0.7778%0.782SS**  -161.2115.2106.71680000108.7
169L60.2Low52.8Low158 Ų158142.5 Ų142.583%0.82778%0.779SS**  trans43.2128.5141.4-62.7166.8000122.3
170N52.2Low52.7Low157 Ų157141.8 Ų141.884%0.8478%0.78SS**  trans-60.3143.8170.5-51.1-51.6000112.8
171T52.5Low52.8Low148 Ų148138.3 Ų138.391%0.90877%0.772SS**  trans-121.4122.8149.1-48.70000108.4
172E57Low52.7Low169 Ų169144.2 Ų144.279%0.7980%0.798SS**  trans-79.2138.2-174.9-179.9176.2-166.400111.6
173A56.7Low52.9Low102 Ų102143.1 Ų143.184%0.84380%0.799SS**  trans-158.6105.1146.900000108.5
174P56.2Low52.7Low95 Ų95142.8 Ų142.862%0.61780%0.799SS**  trans-100.5175.9166.236.9-27.8000111
175N58.6Low52.9Low132 Ų132140.3 Ų140.371%0.70680%0.798SS**  trans82.9134.8173-75.328000116
176E48.5Very low53.1Low149 Ų149141.4 Ų141.470%0.69680%0.795SS**  cis-166.3136.3-2.6-124.3169.315000104.7
177I47.5Very low53.3Low153 Ų153143.6 Ų143.679%0.78580%0.799SS**  trans-94122161.2-67.8168.7000105.1
178N53.3Low53.5Low137 Ų137145.9 Ų145.973%0.73380%0.801SS**  trans-145.7138.6157.2-112.9-30.2000111.7
179H52.8Low53.6Low151 Ų151147.2 Ų147.270%0.69980%0.803SS**  trans-68149.4-175.4-63.3-95.8000112
180D51.1Low53.1Low146 Ų146146.4 Ų146.478%0.78180%0.801SS**  169.1127.5112.8-89.4-23.8000113.6
181T47.6Very low53.1Low121 Ų121145.5 Ų145.574%0.74280%0.798SS**  trans57101.8130.2-45.90000120.5
182L56Low53.2Low243 Ų243145.3 Ų145.3100%1.27279%0.788SS**  -162.90115.8-110.8159.8000111.1

Retrieved 182 of 182 residues in 27.9 ms (Link to these results)