A0A087XCK7_POEFO Loading...

Phospholipid phosphatase 1

AlphaFold DB , UniProt , Accession A0A087XCK7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 279 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
1I47.1Very low63.2Low179 Ų179120.5 Ų120.592%0.91859%0.591SS**  0-470-68.6164.4000112L3 L4I1-L3 PolarHBondContact O-N 3.35Å; I1-L4 PolarHBondContact O-N 3.03Å
2F38Very low64.8Low190 Ų190119 Ų11983%0.83359%0.585SS**THydrogen-bonded Turntrans-65.8-35.2-179.8-93.4-91000115.5P6F2-P6 WeakPolarHBondContact O-CD 3.24Å
3L45.6Very low66.5Low146 Ų146114.8 Ų114.876%0.76457%0.566SS**THydrogen-bonded Turntrans-78.1-17.5175.9-83.7155.2000114.5I1 P6I1-L3 PolarHBondContact O-N 3.35Å; L3-P6 WeakPolarHBondContact O-CD 3.32Å
4L53.6Low68Low88 Ų88111 Ų11146%0.46156%0.555SS.*Hα-helixtrans-72.1-35174.8-90.896.5000111.5I1 L7 M8I1-L4 PolarHBondContact O-N 3.03Å; L4-L7 PolarHBondContact O-N 2.8Å; L4-M8 HydrophobicContact CB-CG 4.39Å; L4-M8 WeakPolarHBondContact O-CB 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.42Å; L4-M8 PolarHBondContact O-N 3.28Å
5R59.8Low69.1Low200 Ų200106.1 Ų106.176%0.75554%0.536SS*.Hα-helixtrans-55.5-49.1-176-110.2179.2-164.3-144.12115.4F9R5-F9 PolarHBondContact O-N 3.5Å; R5-F9 VanDerWaalsContact O-N 3.14Å
6P62.6Low70.1Confident72 Ų72103.7 Ų103.747%0.46853%0.531SS..Hα-helixtrans-69.3-35.4179.324.3-32.6000112.8F2 L3 F9 T10F2-P6 WeakPolarHBondContact O-CD 3.24Å; L3-P6 WeakPolarHBondContact O-CD 3.32Å; P6-F9 PolarHBondContact O-N 3.39Å; P6-T10 PolarHBondContact O-N 2.91Å; P6-T10 VanDerWaalsContact O-N 3.1Å; P6-T10 PolarHBondContact O-OG1 2.97Å; P6-T10 VanDerWaalsContact O-OG1 3.04Å
7L69.5Low71.2Confident114 Ų114103.8 Ų103.860%0.59753%0.533SS*.Hα-helixtrans-66.7-45.4176.4-72.2166.6000111.8L4 F9 T10 D11L4-L7 PolarHBondContact O-N 2.8Å; L7-F9 VanDerWaalsContact C-N 3.27Å; L7-F9 PolarHBondContact O-N 2.84Å; L7-T10 PolarHBondContact O-N 3.32Å; L7-D11 VanDerWaalsContact O-CG 3.25Å; L7-D11 PolarHBondContact O-N 3.03Å
8M74.3Confident71.9Confident55 Ų5598.7 Ų98.727%0.27151%0.51SS..Hα-helixtrans-59.3-39.1175.8-62.5-86.5-47.700111.8L4 D11 I12 Y97L4-M8 HydrophobicContact CB-CG 4.39Å; L4-M8 WeakPolarHBondContact O-CB 3.31Å; L4-M8 WeakPolarHBondContact O-CG 3.42Å; L4-M8 PolarHBondContact O-N 3.28Å; M8-D11 PolarHBondContact O-N 3.2Å; M8-I12 WeakPolarHBondContact O-CB 3.29Å; M8-I12 WeakPolarHBondContact O-CD1 3.23Å; M8-I12 WeakPolarHBondContact O-CG1 3.36Å; M8-I12 PolarHBondContact O-N 3.03Å; M8-Y97 HydrophobicContact CE-CD1 4.25Å; M8-Y97 HydrophobicContact CE-CD2 3.48Å; M8-Y97 VanDerWaalsContact CE-CD2 3.48Å; M8-Y97 HydrophobicContact CE-CE1 3.94Å; M8-Y97 HydrophobicContact CE-CE2 3.08Å; M8-Y97 HydrophobicContact CE-CG 4.04Å; M8-Y97 HydrophobicContact SD-CD1 3.57Å; M8-Y97 VanDerWaalsContact SD-CD1 3.57Å; M8-Y97 HydrophobicContact SD-CD2 3.95Å; M8-Y97 HydrophobicContact SD-CE1 3.17Å; M8-Y97 WeakPolarHBondContact SD-CE1 3.39Å; M8-Y97 HydrophobicContact SD-CE2 3.58Å; M8-Y97 VanDerWaalsContact SD-CE2 3.58Å; M8-Y97 HydrophobicContact SD-CG 3.93Å
9F77.9Confident72.8Confident137 Ų13795.2 Ų95.260%0.60150%0.497SS*.Hα-helixtrans-65.6-44.7177.5-176.2-106.5000111.5R5 P6 L7 I12 I13R5-F9 PolarHBondContact O-N 3.5Å; R5-F9 VanDerWaalsContact O-N 3.14Å; P6-F9 PolarHBondContact O-N 3.39Å; L7-F9 VanDerWaalsContact C-N 3.27Å; L7-F9 PolarHBondContact O-N 2.84Å; F9-I12 PolarHBondContact O-N 3.34Å; F9-I13 HydrophobicContact CD1-CD1 3.62Å; F9-I13 HydrophobicContact CE1-CD1 3.19Å; F9-I13 HydrophobicContact CE1-CG1 4.3Å; F9-I13 HydrophobicContact CE2-CD1 4.3Å; F9-I13 HydrophobicContact CG-CD1 4.35Å; F9-I13 HydrophobicContact CZ-CD1 3.59Å; F9-I13 HydrophobicContact CZ-CG1 4.38Å; F9-I13 WeakPolarHBondContact O-CG1 3.2Å; F9-I13 PolarHBondContact O-N 3.49Å
10T82.7Confident73.6Confident74 Ų7494.7 Ų94.745%0.45450%0.495SS..Hα-helixtrans-60.7-44.9174.3-55.90000111.6P6 L7 I12 I13 C14P6-T10 PolarHBondContact O-N 2.91Å; P6-T10 VanDerWaalsContact O-N 3.1Å; P6-T10 PolarHBondContact O-OG1 2.97Å; P6-T10 VanDerWaalsContact O-OG1 3.04Å; L7-T10 PolarHBondContact O-N 3.32Å; T10-I12 VanDerWaalsContact C-N 3.33Å; T10-I12 PolarHBondContact O-N 3.41Å; T10-I13 PolarHBondContact O-N 3.49Å; T10-C14 WeakPolarHBondContact O-CB 3.29Å; T10-C14 PolarHBondContact O-N 3.41Å; T10-C14 PolarHBondContact O-SG 3.48Å; T10-C14 VanDerWaalsContact O-SG 3.41Å
11D83.7Confident74.2Confident70 Ų7091.8 Ų91.837%0.37448%0.481SS..Hα-helixtrans-59.6-43.1177.5-67.9-17.6000112L7 M8 C14 S15 Y97L7-D11 VanDerWaalsContact O-CG 3.25Å; L7-D11 PolarHBondContact O-N 3.03Å; M8-D11 PolarHBondContact O-N 3.2Å; D11-C14 PolarHBondContact O-N 2.94Å; D11-S15 VanDerWaalsContact O-CB 3.25Å; D11-S15 WeakPolarHBondContact O-CB 3.33Å; D11-S15 PolarHBondContact O-N 3.26Å; D11-S15 PolarHBondContact O-OG 3.37Å; D11-Y97 VanDerWaalsContact CB-OH 3.3Å; D11-Y97 WeakPolarHBondContact CB-OH 3.45Å; D11-Y97 PolarHBondContact OD2-OH 3.38Å
12I83.3Confident76.1Confident103 Ų10385.6 Ų85.653%0.52845%0.45SS..Hα-helixtrans-64.7-43.8177.4-69.7165.1000110.3M8 F9 T10 S15 S16M8-I12 WeakPolarHBondContact O-CB 3.29Å; M8-I12 WeakPolarHBondContact O-CD1 3.23Å; M8-I12 WeakPolarHBondContact O-CG1 3.36Å; M8-I12 PolarHBondContact O-N 3.03Å; F9-I12 PolarHBondContact O-N 3.34Å; T10-I12 VanDerWaalsContact C-N 3.33Å; T10-I12 PolarHBondContact O-N 3.41Å; I12-S15 PolarHBondContact O-N 3.46Å; I12-S16 WeakPolarHBondContact O-CB 3.43Å; I12-S16 PolarHBondContact O-N 3.26Å; I12-S16 PolarHBondContact O-OG 3.13Å
13I86.2Confident78.4Confident65 Ų6578.4 Ų78.433%0.33343%0.425SS..Hα-helixtrans-60.4-52.7175.4-72171.7000110.3F9 T10 S15 S16 L17F9-I13 HydrophobicContact CD1-CD1 3.62Å; F9-I13 HydrophobicContact CE1-CD1 3.19Å; F9-I13 HydrophobicContact CE1-CG1 4.3Å; F9-I13 HydrophobicContact CE2-CD1 4.3Å; F9-I13 HydrophobicContact CG-CD1 4.35Å; F9-I13 HydrophobicContact CZ-CD1 3.59Å; F9-I13 HydrophobicContact CZ-CG1 4.38Å; F9-I13 WeakPolarHBondContact O-CG1 3.2Å; F9-I13 PolarHBondContact O-N 3.49Å; T10-I13 PolarHBondContact O-N 3.49Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.05Å; I13-S16 PolarHBondContact O-N 2.92Å; I13-S16 VanDerWaalsContact O-N 3.11Å; I13-S16 PolarHBondContact O-OG 3.21Å; I13-L17 HydrophobicContact CG2-CD1 3.73Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.13Å; I13-L17 WeakPolarHBondContact O-CG 3.24Å; I13-L17 PolarHBondContact O-N 2.9Å
14C87.6Confident80.4Confident61 Ų6175.6 Ų75.641%0.41241%0.41SS..Hα-helixtrans-59.8-39.5-180-71.40000111.9T10 D11 G18 F105T10-C14 WeakPolarHBondContact O-CB 3.29Å; T10-C14 PolarHBondContact O-N 3.41Å; T10-C14 PolarHBondContact O-SG 3.48Å; T10-C14 VanDerWaalsContact O-SG 3.41Å; D11-C14 PolarHBondContact O-N 2.94Å; C14-G18 PolarHBondContact O-N 3.5Å; C14-F105 HydrophobicContact CB-CE2 4.36Å
15S85.3Confident81.9Confident38 Ų3873.2 Ų73.227%0.26640%0.396SS..Hα-helixtrans-64.5-44174.6-59.80000112.1D11 I12 I13 G18 A19D11-S15 VanDerWaalsContact O-CB 3.25Å; D11-S15 WeakPolarHBondContact O-CB 3.33Å; D11-S15 PolarHBondContact O-N 3.26Å; D11-S15 PolarHBondContact O-OG 3.37Å; I12-S15 PolarHBondContact O-N 3.46Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.05Å; S15-G18 PolarHBondContact O-N 2.88Å; S15-A19 WeakPolarHBondContact O-CB 3.44Å; S15-A19 PolarHBondContact O-N 3.36Å
16S85Confident82.8Confident67 Ų6768 Ų6847%0.46938%0.384SS..Hα-helixtrans-64.4-4217872.80000112.1I12 I13 A19 L20I12-S16 WeakPolarHBondContact O-CB 3.43Å; I12-S16 PolarHBondContact O-N 3.26Å; I12-S16 PolarHBondContact O-OG 3.13Å; I13-S16 PolarHBondContact O-N 2.92Å; I13-S16 VanDerWaalsContact O-N 3.11Å; I13-S16 PolarHBondContact O-OG 3.21Å; S16-A19 PolarHBondContact O-N 2.82Å; S16-L20 PolarHBondContact O-N 3.01Å
17L88Confident83.6Confident105 Ų10571.5 Ų71.555%0.5540%0.397SS..Hα-helixtrans-66.8-42.4176.6-69.9174.2000111.4I13 A19 L20I13-L17 HydrophobicContact CG2-CD1 3.73Å; I13-L17 HydrophobicContact CG2-CG 4.24Å; I13-L17 WeakPolarHBondContact O-CB 3.13Å; I13-L17 WeakPolarHBondContact O-CG 3.24Å; I13-L17 PolarHBondContact O-N 2.9Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 3.49Å; L17-L20 VanDerWaalsContact O-CB 3.23Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.39Å
18G84Confident83.9Confident13 Ų1368.5 Ų68.513%0.13439%0.394CS..Hα-helixtrans-63.6-34.6176.200000113.2C14 S15 S112C14-G18 PolarHBondContact O-N 3.5Å; S15-G18 PolarHBondContact O-N 2.88Å; G18-S112 VanDerWaalsContact O-CB 3.24Å; G18-S112 WeakPolarHBondContact O-CB 3.36Å; G18-S112 PolarHBondContact O-OG 2.66Å
19A88.5Confident83.9Confident31 Ų3175 Ų7526%0.25642%0.421SS..THydrogen-bonded Turntrans-87.1-3.4176.300000113.9S15 S16 L17 L22 A23S15-A19 WeakPolarHBondContact O-CB 3.44Å; S15-A19 PolarHBondContact O-N 3.36Å; S16-A19 PolarHBondContact O-N 2.82Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-A19 PolarHBondContact O-N 3.49Å; A19-L22 WeakPolarHBondContact O-CB 3.25Å; A19-L22 PolarHBondContact O-N 2.89Å; A19-A23 PolarHBondContact O-N 2.94Å; A19-A23 VanDerWaalsContact O-N 3.11Å
20L88.6Confident84.3Confident86 Ų8671.1 Ų71.145%0.4541%0.408SS..Hα-helixtrans-60.6-44.8-175.8-176.471000112.9S16 L17 L22 A23 I24S16-L20 PolarHBondContact O-N 3.01Å; L17-L20 VanDerWaalsContact O-CB 3.23Å; L17-L20 WeakPolarHBondContact O-CB 3.43Å; L17-L20 PolarHBondContact O-N 3.39Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-A23 WeakPolarHBondContact O-CB 3.46Å; L20-A23 PolarHBondContact O-N 2.96Å; L20-A23 VanDerWaalsContact O-N 3.13Å; L20-I24 HydrophobicContact CD1-CD1 4.2Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.17Å; L20-I24 HydrophobicContact CG-CD1 3.73Å; L20-I24 HydrophobicContact CG-CG1 4.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.3Å; L20-I24 PolarHBondContact O-N 3.4Å
21P88Confident84.5Confident33 Ų3376.1 Ų76.121%0.21442%0.419CS..Hα-helixtrans-58.2-44176.3-24.634.3000112.9A23 I24 F25 S112 I116P21-A23 VanDerWaalsContact C-N 3.32Å; P21-A23 PolarHBondContact O-N 3.19Å; P21-I24 PolarHBondContact O-N 3.05Å; P21-F25 HydrophobicContact CB-CD2 4.27Å; P21-F25 HydrophobicContact CB-CE2 4.14Å; P21-F25 WeakPolarHBondContact O-CB 3.23Å; P21-F25 WeakPolarHBondContact O-CD2 3.4Å; P21-F25 PolarHBondContact O-N 2.87Å; P21-S112 WeakPolarHBondContact CD-OG 3.04Å; P21-I116 HydrophobicContact CB-CD1 4Å; P21-I116 HydrophobicContact CB-CG1 3.95Å; P21-I116 HydrophobicContact CG-CD1 4.06Å
22L86.8Confident84.9Confident50 Ų5073.1 Ų73.126%0.26240%0.403SS..Hα-helixtrans-54.2-47.8173.5161.564.1000111.2A19 L20 N26 Q111 S112 D115A19-L22 WeakPolarHBondContact O-CB 3.25Å; A19-L22 PolarHBondContact O-N 2.89Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-N26 VanDerWaalsContact CD1-ND2 3.33Å; L22-N26 WeakPolarHBondContact CD1-ND2 3.29Å; L22-N26 WeakPolarHBondContact O-CB 3.19Å; L22-N26 PolarHBondContact O-N 3.42Å; L22-N26 VanDerWaalsContact O-N 3.11Å; L22-N26 PolarHBondContact O-ND2 3.02Å; L22-Q111 HydrophobicContact CD1-CG 3.6Å; L22-Q111 HydrophobicContact CD2-CB 4.11Å; L22-Q111 HydrophobicContact CD2-CG 3.91Å; L22-Q111 HydrophobicContact CG-CG 4.22Å; L22-S112 PolarHBondContact N-OG 3.43Å; L22-D115 WeakPolarHBondContact CD1-OD2 3.49Å
23A85.3Confident85.3Confident38 Ų3875 Ų7531%0.31441%0.405SS..Hα-helixtrans-63.9-47177.800000112.1A19 L20 P21 F25 L27A19-A23 PolarHBondContact O-N 2.94Å; A19-A23 VanDerWaalsContact O-N 3.11Å; L20-A23 WeakPolarHBondContact O-CB 3.46Å; L20-A23 PolarHBondContact O-N 2.96Å; L20-A23 VanDerWaalsContact O-N 3.13Å; P21-A23 VanDerWaalsContact C-N 3.32Å; P21-A23 PolarHBondContact O-N 3.19Å; A23-F25 PolarHBondContact O-N 3.36Å; A23-L27 HydrophobicContact CB-CD1 4.36Å; A23-L27 WeakPolarHBondContact O-CB 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.25Å; A23-L27 PolarHBondContact O-N 2.81Å
24I87.8Confident85.6Confident87 Ų8777.5 Ų77.545%0.44642%0.415SS..Hα-helixtrans-60.3-48.8-179.8-69.8170.7000110.9L20 P21 G28 V30L20-I24 HydrophobicContact CD1-CD1 4.2Å; L20-I24 HydrophobicContact CD1-CG1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.17Å; L20-I24 HydrophobicContact CG-CD1 3.73Å; L20-I24 HydrophobicContact CG-CG1 4.24Å; L20-I24 WeakPolarHBondContact O-CG1 3.3Å; L20-I24 PolarHBondContact O-N 3.4Å; P21-I24 PolarHBondContact O-N 3.05Å; I24-G28 WeakPolarHBondContact O-CA 3.3Å; I24-G28 PolarHBondContact O-N 3.49Å; I24-V30 HydrophobicContact CG2-CG2 4.32Å
25F85.3Confident85.9Confident39 Ų3978.6 Ų78.617%0.17141%0.41CS..Hα-helixtrans-71.2-36.7-175.4-72-56.6000112.8P21 A23 V30 D115 I116 Y119P21-F25 HydrophobicContact CB-CD2 4.27Å; P21-F25 HydrophobicContact CB-CE2 4.14Å; P21-F25 WeakPolarHBondContact O-CB 3.23Å; P21-F25 WeakPolarHBondContact O-CD2 3.4Å; P21-F25 PolarHBondContact O-N 2.87Å; A23-F25 PolarHBondContact O-N 3.36Å; F25-V30 HydrophobicContact CD1-CB 3.99Å; F25-V30 HydrophobicContact CD1-CG1 4.1Å; F25-V30 HydrophobicContact CD1-CG2 4.07Å; F25-V30 HydrophobicContact CE1-CG1 4.16Å; F25-D115 HydrophobicContact CB-CB 4.38Å; F25-D115 HydrophobicContact CD2-CB 3.96Å; F25-I116 HydrophobicContact CE2-CB 4.48Å; F25-I116 HydrophobicContact CE2-CG1 3.83Å; F25-Y119 HydrophobicContact CB-CD2 3.81Å; F25-Y119 HydrophobicContact CB-CE2 3.6Å; F25-Y119 HydrophobicContact CB-CG 4.45Å; F25-Y119 AromaticContact CD1-CD1 3.91Å; F25-Y119 HydrophobicContact CD1-CD1 3.91Å; F25-Y119 AromaticContact CD1-CD2 3.73Å; F25-Y119 HydrophobicContact CD1-CD2 3.73Å; F25-Y119 HydrophobicContact CD1-CE1 4.41Å; F25-Y119 HydrophobicContact CD1-CE2 4.25Å; F25-Y119 AromaticContact CD1-CG 3.54Å; F25-Y119 HydrophobicContact CD1-CG 3.54Å; F25-Y119 HydrophobicContact CD2-CD2 4.34Å; F25-Y119 HydrophobicContact CE1-CD1 4.44Å; F25-Y119 HydrophobicContact CE1-CD2 4.42Å; F25-Y119 AromaticContact CE1-CG 3.95Å; F25-Y119 HydrophobicContact CE1-CG 3.95Å; F25-Y119 AromaticContact CG-CD2 3.71Å; F25-Y119 HydrophobicContact CG-CD2 3.71Å; F25-Y119 HydrophobicContact CG-CE2 4.05Å; F25-Y119 HydrophobicContact CG-CG 4.03Å; F25-Y119 PolarHBondContact O-OH 3Å
26N79.4Confident86.3Confident91 Ų9176.9 Ų76.949%0.48740%0.399SS..Hα-helixtrans-85-35.1-177.8-70.7-88.6000113.2L22 D115L22-N26 VanDerWaalsContact CD1-ND2 3.33Å; L22-N26 WeakPolarHBondContact CD1-ND2 3.29Å; L22-N26 WeakPolarHBondContact O-CB 3.19Å; L22-N26 PolarHBondContact O-N 3.42Å; L22-N26 VanDerWaalsContact O-N 3.11Å; L22-N26 PolarHBondContact O-ND2 3.02Å; N26-D115 PolarHBondContact ND2-OD2 3.44Å
27L79.3Confident86.8Confident144 Ų14473.9 Ų73.975%0.75438%0.377SS*.Hα-helixtrans-92.4-34.5-179.9-57.6175.1000112.5A23 K29A23-L27 HydrophobicContact CB-CD1 4.36Å; A23-L27 WeakPolarHBondContact O-CB 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.25Å; A23-L27 PolarHBondContact O-N 2.81Å; L27-K29 PolarHBondContact O-N 3.34Å
28G75.1Confident87.2Confident51 Ų5173 Ų7353%0.52637%0.369SS..THydrogen-bonded Turntrans-75.7-0.8-175.900000115I24 V30I24-G28 WeakPolarHBondContact O-CA 3.3Å; I24-G28 PolarHBondContact O-N 3.49Å; G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.11Å
29K74.4Confident87.6Confident191 Ų19173.6 Ų73.683%0.8337%0.371SS*.THydrogen-bonded Turntrans48.538.1-178.4-61.8-179.7-179.2173.70112.8L27L27-K29 PolarHBondContact O-N 3.34Å
30V85.8Confident87.8Confident57 Ų5776.4 Ų76.435%0.34539%0.389SS..PPolyproline II helixtrans-60.3140.6179-178.50000108.7I24 F25 G28 Y119I24-V30 HydrophobicContact CG2-CG2 4.32Å; F25-V30 HydrophobicContact CD1-CB 3.99Å; F25-V30 HydrophobicContact CD1-CG1 4.1Å; F25-V30 HydrophobicContact CD1-CG2 4.07Å; F25-V30 HydrophobicContact CE1-CG1 4.16Å; G28-V30 PolarHBondContact O-N 2.88Å; G28-V30 VanDerWaalsContact O-N 3.11Å; V30-Y119 HydrophobicContact CB-CD1 4.36Å; V30-Y119 HydrophobicContact CB-CE1 4.33Å; V30-Y119 HydrophobicContact CG1-CD1 4.26Å; V30-Y119 VanDerWaalsContact O-CE1 3.27Å; V30-Y119 WeakPolarHBondContact O-CE1 3.25Å
31R87.5Confident88.1Confident179 Ų17974.4 Ų74.468%0.67538%0.379SS*.PPolyproline II helixtrans-84.3133.1175-66.5-175.3-179.4-172.70.5109.2
32P91Very high88.5Confident7 Ų778 Ų785%0.04540%0.396CS..PPolyproline II helixtrans-65156.4174.325.7-32000111.5Q34 Y119 R163 L164P32-Q34 PolarHBondContact O-N 2.91Å; P32-Y119 HydrophobicContact CB-CD1 4.16Å; P32-R163 HydrophobicContact CB-CB 4.14Å; P32-R163 HydrophobicContact CG-CB 3.79Å; P32-L164 HydrophobicContact CB-CD2 3.72Å; P32-L164 HydrophobicContact CB-CG 4.38Å; P32-L164 HydrophobicContact CG-CD2 4.35Å
33Y93Very high89Confident142 Ų14277.7 Ų77.756%0.55740%0.398SS*.PPolyproline II helixtrans-51.6131.2169.8-179-104.5000110.9R35 Y119 S120 G122Y33-R35 HydrophobicContact CD1-CB 4.28Å; Y33-R35 HydrophobicContact CE1-CB 3.99Å; Y33-Y119 WeakPolarHBondContact CB-O 3.46Å; Y33-Y119 PolarHBondContact N-O 3.07Å; Y33-S120 WeakPolarHBondContact CB-O 3.34Å; Y33-G122 WeakPolarHBondContact O-CA 3.49Å
34Q92.4Very high89.6Confident118 Ų11876 Ų7655%0.55138%0.383SS*.  trans-97.499.4-179-66-171.1-6.300109.4P32P32-Q34 PolarHBondContact O-N 2.91Å
35R93.2Very high90Very high84 Ų8476.2 Ų76.232%0.31738%0.381SS..  trans-89.9154.8167.770.4-178.6-72.7170.3-5.9111.5Y33 G122 L124 R163Y33-R35 HydrophobicContact CD1-CB 4.28Å; Y33-R35 HydrophobicContact CE1-CB 3.99Å; R35-G122 WeakPolarHBondContact CD-O 3.42Å; R35-G122 VanDerWaalsContact CG-O 3.25Å; R35-G122 WeakPolarHBondContact CG-O 3.47Å; R35-L124 HydrophobicContact CG-CD1 4.5Å; R35-L124 HydrophobicContact CG-CD2 4.06Å; R35-L124 HydrophobicContact CG-CG 3.94Å; R35-R163 PolarHBondContact O-NH1 3.32Å
36G94.1Very high90.6Very high2 Ų279.3 Ų79.32%0.02139%0.392CS..  trans-79.7-176.2168.800000114.5Y146 I147G36-Y146 VanDerWaalsContact C-CE2 3.42Å; G36-Y146 VanDerWaalsContact C-CZ 3.48Å; G36-Y146 WeakPolarHBondContact CA-OH 3.36Å; G36-Y146 PolarHBondContact N-OH 3.28Å; G36-Y146 VanDerWaalsContact N-OH 3.09Å; G36-Y146 PolarHBondContact O-OH 3.38Å; G36-I147 CarbonylContact C-O 3.51Å; G36-I147 WeakPolarHBondContact CA-O 3.31Å
37F95.7Very high91.4Very high3 Ų378.1 Ų78.11%0.01339%0.39CS..EExtended strand (participates in β ladder)trans-148.3165.3175.263.8-87.7000111.5I44 L124 L129 W136 I147 F150F37-I44 HydrophobicContact CB-CD1 3.58Å; F37-I44 HydrophobicContact CD2-CD1 3.99Å; F37-I44 HydrophobicContact CG-CD1 3.82Å; F37-L124 HydrophobicContact CB-CD1 3.87Å; F37-L124 HydrophobicContact CD1-CD1 4.27Å; F37-L124 HydrophobicContact CG-CD1 4.44Å; F37-L129 HydrophobicContact CD2-CD2 4.3Å; F37-L129 HydrophobicContact CE1-CD2 4.14Å; F37-L129 HydrophobicContact CE2-CD2 3.86Å; F37-L129 HydrophobicContact CZ-CD2 3.77Å; F37-W136 HydrophobicContact CE2-CH2 4.2Å; F37-W136 HydrophobicContact CE2-CZ3 4.26Å; F37-I147 PolarHBondContact N-O 3.03Å; F37-I147 VanDerWaalsContact N-O 3.08Å; F37-I147 PolarHBondContact O-N 3.09Å; F37-F150 HydrophobicContact CD1-CD1 4.24Å; F37-F150 AromaticContact CD1-CE1 3.75Å; F37-F150 HydrophobicContact CD1-CE1 3.75Å; F37-F150 AromaticContact CD1-CZ 3.88Å; F37-F150 HydrophobicContact CD1-CZ 3.88Å; F37-F150 AromaticContact CE1-CD1 3.72Å; F37-F150 HydrophobicContact CE1-CD1 3.72Å; F37-F150 HydrophobicContact CE1-CD2 4.01Å; F37-F150 AromaticContact CE1-CE1 3.61Å; F37-F150 HydrophobicContact CE1-CE1 3.61Å; F37-F150 AromaticContact CE1-CE2 3.89Å; F37-F150 HydrophobicContact CE1-CE2 3.89Å; F37-F150 AromaticContact CE1-CG 3.91Å; F37-F150 HydrophobicContact CE1-CG 3.91Å; F37-F150 AromaticContact CE1-CZ 3.68Å; F37-F150 HydrophobicContact CE1-CZ 3.68Å
38F95.3Very high92.2Very high86 Ų8675 Ų7538%0.37737%0.37SS..EExtended strand (participates in β ladder)trans-97140.1169-64.2-84.6000109.4S40 D41 V145 Y146F38-S40 PolarHBondContact O-N 3.36Å; F38-S40 VanDerWaalsContact O-N 3.14Å; F38-D41 HydrophobicContact CB-CB 4.49Å; F38-D41 WeakPolarHBondContact O-CB 3.33Å; F38-D41 PolarHBondContact O-N 3.5Å; F38-V145 WeakPolarHBondContact CD1-O 3.18Å; F38-Y146 HydrophobicContact CD1-CD2 4.23Å; F38-Y146 AromaticContact CD2-CD2 3.83Å; F38-Y146 HydrophobicContact CD2-CD2 3.83Å; F38-Y146 HydrophobicContact CD2-CE2 4.36Å; F38-Y146 AromaticContact CE1-CD2 3.95Å; F38-Y146 HydrophobicContact CE1-CD2 3.95Å; F38-Y146 HydrophobicContact CE1-CG 4.24Å; F38-Y146 AromaticContact CE2-CD2 3.51Å; F38-Y146 HydrophobicContact CE2-CD2 3.51Å; F38-Y146 HydrophobicContact CE2-CE2 4.06Å; F38-Y146 HydrophobicContact CE2-CG 4.44Å; F38-Y146 HydrophobicContact CG-CD2 4.18Å; F38-Y146 AromaticContact CZ-CD2 3.57Å; F38-Y146 HydrophobicContact CZ-CD2 3.57Å; F38-Y146 HydrophobicContact CZ-CE2 4.49Å; F38-Y146 HydrophobicContact CZ-CG 4.07Å
39C92.8Very high93.2Very high27 Ų2776.5 Ų76.518%0.18236%0.363CS..THydrogen-bonded Turntrans-62.5-23.1178.3-59.40000113.4D41 K45 C141C39-D41 VanDerWaalsContact C-N 3.27Å; C39-D41 PolarHBondContact O-N 3.12Å; C39-K45 VanDerWaalsContact O-CE 3.28Å; C39-K45 WeakPolarHBondContact O-CE 3.31Å; C39-K45 PolarHBondContact O-NZ 3.49Å; C39-C141 HydrophobicContact CB-CB 3.56Å; C39-C141 WeakPolarHBondContact CB-SG 3.48Å; C39-C141 WeakPolarHBondContact SG-CA 3.37Å; C39-C141 WeakPolarHBondContact SG-CB 3.25Å; C39-C141 CovalentContact SG-SG 2.04Å; C39-C141 PolarHBondContact SG-SG 3.35Å
40S93.6Very high94.2Very high89 Ų8972.1 Ų72.162%0.62236%0.355SS*.THydrogen-bonded Turntrans-81.11.6173.857.20000114.1F38 D42F38-S40 PolarHBondContact O-N 3.36Å; F38-S40 VanDerWaalsContact O-N 3.14Å; S40-D42 PolarHBondContact O-N 3.05Å; S40-D42 VanDerWaalsContact O-N 3.11Å
41D95.3Very high94.6Very high45 Ų4571.4 Ų71.424%0.24135%0.352CS..  trans-77.997-179.9-170.6-8.6000111F38 C39 S43 I44 K45F38-D41 HydrophobicContact CB-CB 4.49Å; F38-D41 WeakPolarHBondContact O-CB 3.33Å; F38-D41 PolarHBondContact O-N 3.5Å; C39-D41 VanDerWaalsContact C-N 3.27Å; C39-D41 PolarHBondContact O-N 3.12Å; D41-S43 PolarHBondContact O-N 3.12Å; D41-S43 VanDerWaalsContact OD1-CB 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.33Å; D41-S43 PolarHBondContact OD1-N 2.7Å; D41-S43 PolarHBondContact OD1-OG 3.04Å; D41-I44 HydrophobicContact CB-CD1 4.28Å; D41-I44 HydrophobicContact CB-CG1 4.1Å; D41-I44 WeakPolarHBondContact O-CG1 3.29Å; D41-K45 WeakPolarHBondContact O-CE 3.38Å
42D95.3Very high95.1Very high108 Ų10866.9 Ų66.958%0.57834%0.344SS*.G310 helixtrans-75-14177.5-62.2-32.7000113S40 I44 K45 Y46S40-D42 PolarHBondContact O-N 3.05Å; S40-D42 VanDerWaalsContact O-N 3.11Å; D42-I44 PolarHBondContact O-N 2.95Å; D42-K45 PolarHBondContact O-N 2.93Å; D42-K45 WeakPolarHBondContact OD1-CD 3.29Å; D42-K45 WeakPolarHBondContact OD1-CE 3.15Å; D42-K45 IonicContact OD1-NZ 3.95Å; D42-K45 PolarHBondContact OD1-NZ 2.67Å; D42-Y46 WeakPolarHBondContact O-CE2 3.33Å
43S97Very high95.4Very high43 Ų4367.2 Ų67.230%0.30135%0.346SS..G310 helixtrans-67.7-19.2-179.276.50000113D41 P126D41-S43 PolarHBondContact O-N 3.12Å; D41-S43 VanDerWaalsContact OD1-CB 3.25Å; D41-S43 WeakPolarHBondContact OD1-CB 3.33Å; D41-S43 PolarHBondContact OD1-N 2.7Å; D41-S43 PolarHBondContact OD1-OG 3.04Å; S43-P126 WeakPolarHBondContact O-CA 3.23Å; S43-P126 WeakPolarHBondContact O-CB 3.29Å
44I97.4Very high95.6Very high2 Ų263.3 Ų63.31%0.0134%0.337CS..G310 helixtrans-112.111.6-176.461.9167.3000114.4F37 D41 D42 L124 P126 F128 L129F37-I44 HydrophobicContact CB-CD1 3.58Å; F37-I44 HydrophobicContact CD2-CD1 3.99Å; F37-I44 HydrophobicContact CG-CD1 3.82Å; D41-I44 HydrophobicContact CB-CD1 4.28Å; D41-I44 HydrophobicContact CB-CG1 4.1Å; D41-I44 WeakPolarHBondContact O-CG1 3.29Å; D42-I44 PolarHBondContact O-N 2.95Å; I44-L124 HydrophobicContact CD1-CD1 4.05Å; I44-L124 HydrophobicContact CG2-CB 3.91Å; I44-P126 CarbonylContact C-O 3.58Å; I44-P126 WeakPolarHBondContact CA-O 3.29Å; I44-F128 HydrophobicContact CB-CB 4.41Å; I44-L129 HydrophobicContact CD1-CD1 3.87Å; I44-L129 HydrophobicContact CD1-CD2 4.16Å; I44-L129 HydrophobicContact CD1-CG 3.85Å; I44-L129 HydrophobicContact CG1-CD1 3.78Å; I44-L129 HydrophobicContact CG1-CG 3.98Å; I44-L129 WeakPolarHBondContact O-CB 3.24Å; I44-L129 WeakPolarHBondContact O-CG 3.34Å; I44-L129 PolarHBondContact O-N 3.09Å; I44-L129 VanDerWaalsContact O-N 3.12Å
45K96.6Very high95.7Very high92 Ų9260.4 Ų60.440%0.433%0.33SS..  trans-99.54.3-176.6-70.6179.9-166.8166.70114.8C39 D41 D42 P126 L129C39-K45 VanDerWaalsContact O-CE 3.28Å; C39-K45 WeakPolarHBondContact O-CE 3.31Å; C39-K45 PolarHBondContact O-NZ 3.49Å; D41-K45 WeakPolarHBondContact O-CE 3.38Å; D42-K45 PolarHBondContact O-N 2.93Å; D42-K45 WeakPolarHBondContact OD1-CD 3.29Å; D42-K45 WeakPolarHBondContact OD1-CE 3.15Å; D42-K45 IonicContact OD1-NZ 3.95Å; D42-K45 PolarHBondContact OD1-NZ 2.67Å; K45-P126 PolarHBondContact N-O 2.92Å; K45-L129 HydrophobicContact CG-CD1 3.59Å
46Y97.5Very high95.8Very high104 Ų10461.6 Ų61.641%0.40835%0.347SS..PPolyproline II helixtrans-70.2153.9-177.2-71.3-100000111.7D42 P126 H127 Y220D42-Y46 WeakPolarHBondContact O-CE2 3.33Å; Y46-P126 WeakPolarHBondContact CB-O 3.3Å; Y46-P126 HydrophobicContact CD2-CB 4.03Å; Y46-P126 HydrophobicContact CG-CB 4.38Å; Y46-P126 PolarHBondContact N-O 2.94Å; Y46-H127 WeakPolarHBondContact O-CA 3.46Å; Y46-H127 WeakPolarHBondContact O-CB 3.11Å; Y46-Y220 AromaticContact CD1-CD1 3.59Å; Y46-Y220 HydrophobicContact CD1-CD1 3.59Å; Y46-Y220 AromaticContact CD1-CD2 3.9Å; Y46-Y220 HydrophobicContact CD1-CD2 3.9Å; Y46-Y220 AromaticContact CD1-CE1 3.35Å; Y46-Y220 HydrophobicContact CD1-CE1 3.35Å; Y46-Y220 AromaticContact CD1-CE2 3.71Å; Y46-Y220 HydrophobicContact CD1-CE2 3.71Å; Y46-Y220 AromaticContact CD1-CG 3.88Å; Y46-Y220 HydrophobicContact CD1-CG 3.88Å; Y46-Y220 AromaticContact CD1-CZ 3.43Å; Y46-Y220 VanDerWaalsContact CD1-CZ 3.43Å; Y46-Y220 HydrophobicContact CE1-CD1 4.16Å; Y46-Y220 AromaticContact CE1-CE1 3.65Å; Y46-Y220 HydrophobicContact CE1-CE1 3.65Å; Y46-Y220 AromaticContact CE1-CZ 3.92Å; Y46-Y220 HydrophobicContact CG-CD1 4.02Å; Y46-Y220 HydrophobicContact CG-CD2 4.21Å; Y46-Y220 HydrophobicContact CG-CE1 4.24Å; Y46-Y220 HydrophobicContact CG-CE2 4.45Å; Y46-Y220 HydrophobicContact CG-CG 4.04Å
47P97.3Very high95.9Very high66 Ų6665 Ų6543%0.42937%0.367SS..PPolyproline II helixtrans-70.8152.5175.729.4-35.4000111.9H49 Y220P47-H49 PolarHBondContact O-N 3.5Å; P47-Y220 HydrophobicContact CG-CD2 4.32Å; P47-Y220 HydrophobicContact CG-CE2 4.15Å
48F96.9Very high96Very high80 Ų8065.2 Ų65.235%0.35137%0.368SS..PPolyproline II helixtrans-72.5123171.6179.9-88.5000111.3H127 D130 V131 M158F48-H127 HydrophobicContact CB-CB 4.49Å; F48-H127 AromaticContact CD2-CD2 3.6Å; F48-H127 AromaticContact CD2-NE2 3.88Å; F48-D130 VanDerWaalsContact CB-OD2 3.24Å; F48-D130 WeakPolarHBondContact CB-OD2 3.29Å; F48-D130 PolarHBondContact N-OD2 2.86Å; F48-V131 HydrophobicContact CB-CG1 4.17Å; F48-V131 HydrophobicContact CD2-CG1 3.63Å; F48-V131 HydrophobicContact CE2-CG1 4.37Å; F48-V131 HydrophobicContact CG-CG1 4.18Å; F48-M158 HydrophobicContact CZ-SD 4.49Å
49H95.1Very high96Very high81 Ų8165.1 Ų65.138%0.37537%0.366SS..  trans-111.5149.4167.5-71.8-81.8000111.7P47 Y220 K221P47-H49 PolarHBondContact O-N 3.5Å; H49-Y220 AromaticContact CD2-CD2 3.56Å; H49-Y220 AromaticContact CD2-CE2 3.75Å; H49-Y220 AromaticContact NE2-CE2 3.86Å; H49-K221 WeakPolarHBondContact O-CE 3.25Å; H49-K221 PolarHBondContact O-NZ 3.23Å
50P95.2Very high96.1Very high100 Ų10066.3 Ų66.365%0.64938%0.375SS*.  trans-64154.7167.729.3-34.2000110.7
51S95.4Very high96.3Very high41 Ų4165.6 Ų65.629%0.28737%0.367SS..  trans-75.6125.9-179.4-59.60000111.4V53 D219 K221S51-V53 WeakPolarHBondContact CB-O 3.33Å; S51-D219 WeakPolarHBondContact CA-OD2 3.49Å; S51-K221 WeakPolarHBondContact OG-CE 3.48Å
52T97.3Very high96.4Very high84 Ų8463.6 Ų63.652%0.51536%0.357SS..SBendtrans-58.6-55172.3-65.20000110.9D219T52-D219 WeakPolarHBondContact CB-OD1 3.49Å; T52-D219 PolarHBondContact N-OD1 3.34Å; T52-D219 PolarHBondContact N-OD2 3.37Å; T52-D219 PolarHBondContact OG1-OD1 2.91Å
53V97.1Very high96.5Very high15 Ų1561.4 Ų61.49%0.09134%0.344CS..SBendtrans-91.6112.7167.2-177.60000108.9S51 V57 L58 Y211 T212 R216S51-V53 WeakPolarHBondContact CB-O 3.33Å; V53-V57 HydrophobicContact CG1-CG1 4.38Å; V53-L58 HydrophobicContact CG1-CB 4.34Å; V53-Y211 HydrophobicContact CG2-CE1 4.26Å; V53-T212 HydrophobicContact CB-CG2 4.45Å; V53-T212 HydrophobicContact CG1-CG2 4.18Å; V53-R216 PolarHBondContact O-NH1 3.06Å; V53-R216 PolarHBondContact O-NH2 3.49Å
54T97.1Very high96.5Very high59 Ų5962.9 Ų62.936%0.36235%0.354SS..  trans-77.4157.3177.967.50000111.3T56 V57 L58T54-T56 PolarHBondContact O-N 3.04Å; T54-V57 PolarHBondContact O-N 3.09Å; T54-V57 WeakPolarHBondContact OG1-CG2 3.26Å; T54-V57 PolarHBondContact OG1-N 3.29Å; T54-L58 PolarHBondContact O-N 3.28Å
55S94.8Very high96.5Very high57 Ų5766.3 Ų66.340%0.39937%0.372SS..Hα-helixtrans-57.4-36.5174.8-51.90000111.8L58 Y59S55-L58 PolarHBondContact O-N 2.96Å; S55-Y59 WeakPolarHBondContact O-CD2 3.43Å; S55-Y59 PolarHBondContact O-N 2.89Å
56T95.4Very high96.5Very high109 Ų10961.9 Ų61.967%0.66935%0.353SS*.Hα-helixtrans-62.4-47.6176.8-50.40000111.6T54 L58 S60T54-T56 PolarHBondContact O-N 3.04Å; T56-L58 VanDerWaalsContact C-N 3.33Å; T56-S60 VanDerWaalsContact O-CB 3.23Å; T56-S60 WeakPolarHBondContact O-CB 3.36Å; T56-S60 PolarHBondContact O-N 3.05Å; T56-S60 PolarHBondContact O-OG 2.82Å
57V96.7Very high96.5Very high73 Ų7359.4 Ų59.444%0.44235%0.346SS..Hα-helixtrans-63.1-43.2177171.70000110.4V53 T54 S60 V61V53-V57 HydrophobicContact CG1-CG1 4.38Å; T54-V57 PolarHBondContact O-N 3.09Å; T54-V57 WeakPolarHBondContact OG1-CG2 3.26Å; T54-V57 PolarHBondContact OG1-N 3.29Å; V57-S60 WeakPolarHBondContact CA-OG 3.46Å; V57-S60 PolarHBondContact O-OG 2.84Å; V57-S60 VanDerWaalsContact O-OG 3.12Å; V57-V61 HydrophobicContact CG1-CG2 4.21Å; V57-V61 WeakPolarHBondContact O-CB 3.41Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 3.45Å
58L97.4Very high96.5Very high9 Ų959.8 Ų59.85%0.04735%0.35CS..Hα-helixtrans-58-54.1177.917669.7000112.2V53 T54 S55 T56 G62 H170 F173 T212V53-L58 HydrophobicContact CG1-CB 4.34Å; T54-L58 PolarHBondContact O-N 3.28Å; S55-L58 PolarHBondContact O-N 2.96Å; T56-L58 VanDerWaalsContact C-N 3.33Å; L58-G62 VanDerWaalsContact O-CA 3.31Å; L58-G62 WeakPolarHBondContact O-CA 3.36Å; L58-G62 PolarHBondContact O-N 3.47Å; L58-H170 HydrophobicContact CD2-CB 4.01Å; L58-H170 WeakPolarHBondContact CD2-CD2 3.42Å; L58-F173 HydrophobicContact CD1-CD1 3.88Å; L58-F173 HydrophobicContact CD2-CB 4.34Å; L58-F173 HydrophobicContact CD2-CD1 3.97Å; L58-F173 HydrophobicContact CG-CD1 3.66Å; L58-F173 HydrophobicContact CG-CE1 4.24Å; L58-T212 HydrophobicContact CD1-CG2 4.1Å
59Y95.5Very high96.4Very high83 Ų8357.5 Ų57.533%0.32534%0.344SS..Hα-helixtrans-71.7-38-175.7-67.4-56.5000112.1S55 L63 F173S55-Y59 WeakPolarHBondContact O-CD2 3.43Å; S55-Y59 PolarHBondContact O-N 2.89Å; Y59-L63 VanDerWaalsContact O-CB 3.31Å; Y59-L63 WeakPolarHBondContact O-CB 3.1Å; Y59-L63 VanDerWaalsContact O-CG 3.29Å; Y59-L63 WeakPolarHBondContact O-CG 3.17Å; Y59-L63 PolarHBondContact O-N 3.34Å; Y59-F173 AromaticContact CD1-CD1 3.99Å; Y59-F173 HydrophobicContact CD1-CD1 3.99Å; Y59-F173 HydrophobicContact CD1-CD2 4.43Å; Y59-F173 AromaticContact CD1-CE1 3.62Å; Y59-F173 HydrophobicContact CD1-CE1 3.62Å; Y59-F173 HydrophobicContact CD1-CE2 4.11Å; Y59-F173 HydrophobicContact CD1-CG 4.37Å; Y59-F173 AromaticContact CD1-CZ 3.7Å; Y59-F173 HydrophobicContact CD1-CZ 3.7Å; Y59-F173 HydrophobicContact CE1-CD1 4.13Å; Y59-F173 HydrophobicContact CE1-CD2 4.16Å; Y59-F173 HydrophobicContact CE1-CE1 4.18Å; Y59-F173 HydrophobicContact CE1-CE2 4.23Å; Y59-F173 HydrophobicContact CE1-CG 4.11Å; Y59-F173 HydrophobicContact CE1-CZ 4.24Å
60S95.4Very high96.4Very high53 Ų5353.7 Ų53.737%0.37133%0.326SS..Hα-helixtrans-64.7-54.9176.856.60000111.6T56 V57 L63 C64T56-S60 VanDerWaalsContact O-CB 3.23Å; T56-S60 WeakPolarHBondContact O-CB 3.36Å; T56-S60 PolarHBondContact O-N 3.05Å; T56-S60 PolarHBondContact O-OG 2.82Å; V57-S60 WeakPolarHBondContact CA-OG 3.46Å; V57-S60 PolarHBondContact O-OG 2.84Å; V57-S60 VanDerWaalsContact O-OG 3.12Å; S60-L63 PolarHBondContact O-N 3.33Å; S60-C64 WeakPolarHBondContact O-CB 3.43Å; S60-C64 PolarHBondContact O-N 3.01Å; S60-C64 PolarHBondContact O-SG 3.14Å
61V96.7Very high96.3Very high74 Ų7451.4 Ų51.445%0.44831%0.311SS..Hα-helixtrans-66.4-44.5179.7177.70000110.6V57 L63 L65V57-V61 HydrophobicContact CG1-CG2 4.21Å; V57-V61 WeakPolarHBondContact O-CB 3.41Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 3.45Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 2.75Å; V61-L65 HydrophobicContact CG1-CB 4.42Å; V61-L65 HydrophobicContact CG1-CD2 4.47Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 PolarHBondContact O-N 2.92Å
62G97.1Very high96.2Very high3 Ų356.2 Ų56.23%0.03133%0.327CS..Hα-helixtrans-63.2-28.4-177.800000114.3L58 P66 C177L58-G62 VanDerWaalsContact O-CA 3.31Å; L58-G62 WeakPolarHBondContact O-CA 3.36Å; L58-G62 PolarHBondContact O-N 3.47Å; G62-P66 WeakPolarHBondContact O-CD 3.24Å; G62-P66 WeakPolarHBondContact O-CG 2.93Å; G62-C177 WeakPolarHBondContact O-CB 3.38Å; G62-C177 PolarHBondContact O-SG 2.71Å; G62-C177 VanDerWaalsContact O-SG 3.34Å
63L96.9Very high95.8Very high61 Ų6152.9 Ų52.932%0.31931%0.309SS..Hα-helixtrans-95-49.6174.8-64.4175.5000112.4Y59 S60 V61 L65 P66 I67 F103 F173Y59-L63 VanDerWaalsContact O-CB 3.31Å; Y59-L63 WeakPolarHBondContact O-CB 3.1Å; Y59-L63 VanDerWaalsContact O-CG 3.29Å; Y59-L63 WeakPolarHBondContact O-CG 3.17Å; Y59-L63 PolarHBondContact O-N 3.34Å; S60-L63 PolarHBondContact O-N 3.33Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 PolarHBondContact O-N 2.75Å; L63-L65 PolarHBondContact O-N 3.3Å; L63-P66 WeakPolarHBondContact O-CD 3.46Å; L63-I67 HydrophobicContact CB-CD1 4.33Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.36Å; L63-I67 WeakPolarHBondContact O-CD1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 3.5Å; L63-I67 VanDerWaalsContact O-N 3.09Å; L63-F103 HydrophobicContact CD2-CE1 3.94Å; L63-F103 HydrophobicContact CD2-CZ 4.26Å; L63-F173 HydrophobicContact CD2-CE2 4.39Å; L63-F173 HydrophobicContact CD2-CZ 3.86Å; L63-F173 HydrophobicContact CG-CZ 3.96Å
64C97.5Very high95.4Very high75 Ų7552.6 Ų52.651%0.50731%0.307SS..Hα-helixtrans-65.2-43.8-173.9-64.90000111.7S60 I67 S68S60-C64 WeakPolarHBondContact O-CB 3.43Å; S60-C64 PolarHBondContact O-N 3.01Å; S60-C64 PolarHBondContact O-SG 3.14Å; C64-I67 PolarHBondContact O-N 2.98Å; C64-S68 VanDerWaalsContact O-CB 3.23Å; C64-S68 WeakPolarHBondContact O-CB 3.5Å; C64-S68 PolarHBondContact O-N 3.35Å; C64-S68 PolarHBondContact O-OG 3.18Å; C64-S68 VanDerWaalsContact O-OG 3.05Å
65L97.4Very high94.9Very high73 Ų7352.7 Ų52.738%0.38231%0.309SS..Hα-helixtrans-62.9-50.3-176.9177.669000112.1V61 L63 S69 M178 L181 L205V61-L65 HydrophobicContact CG1-CB 4.42Å; V61-L65 HydrophobicContact CG1-CD2 4.47Å; V61-L65 WeakPolarHBondContact O-CB 3.33Å; V61-L65 PolarHBondContact O-N 2.92Å; L63-L65 PolarHBondContact O-N 3.3Å; L65-S69 VanDerWaalsContact O-CB 3.29Å; L65-S69 WeakPolarHBondContact O-CB 3.3Å; L65-S69 PolarHBondContact O-N 3.09Å; L65-S69 PolarHBondContact O-OG 3.37Å; L65-M178 HydrophobicContact CD2-CE 4.39Å; L65-M178 HydrophobicContact CD2-SD 4.32Å; L65-L181 HydrophobicContact CD2-CD2 4.32Å; L65-L181 HydrophobicContact CG-CD2 4.02Å; L65-L205 HydrophobicContact CD2-CD2 3.96Å
66P97.6Very high94.4Very high0 Ų053.2 Ų53.20%031%0.307CS..Hα-helixtrans-64.3-44175.8-25.137.3000113.6G62 L63 S69 M70 F103 C177 M178 L181G62-P66 WeakPolarHBondContact O-CD 3.24Å; G62-P66 WeakPolarHBondContact O-CG 2.93Å; L63-P66 WeakPolarHBondContact O-CD 3.46Å; P66-S69 PolarHBondContact O-N 2.88Å; P66-M70 HydrophobicContact CB-CE 3.67Å; P66-M70 WeakPolarHBondContact O-CG 3.34Å; P66-M70 PolarHBondContact O-N 3.46Å; P66-F103 HydrophobicContact CB-CE1 4.13Å; P66-F103 HydrophobicContact CB-CE2 3.96Å; P66-F103 HydrophobicContact CB-CZ 3.75Å; P66-F103 HydrophobicContact CG-CE2 4.2Å; P66-F103 HydrophobicContact CG-CZ 3.88Å; P66-C177 HydrophobicContact CG-CB 4.31Å; P66-M178 HydrophobicContact CG-CE 4.42Å; P66-L181 HydrophobicContact CB-CB 4.27Å; P66-L181 HydrophobicContact CB-CD2 4.43Å; P66-L181 HydrophobicContact CG-CB 4.28Å; P66-L181 HydrophobicContact CG-CD2 4.22Å
67I97.3Very high93.8Very high51 Ų5150.7 Ų50.726%0.26229%0.289SS..Hα-helixtrans-62.7-49.4-178.3-67.7170.3000110.4L63 C64 S69 M70 V71 V100 F103L63-I67 HydrophobicContact CB-CD1 4.33Å; L63-I67 VanDerWaalsContact O-CB 3.3Å; L63-I67 WeakPolarHBondContact O-CB 3.36Å; L63-I67 WeakPolarHBondContact O-CD1 3.29Å; L63-I67 WeakPolarHBondContact O-CG1 3.37Å; L63-I67 PolarHBondContact O-N 3.5Å; L63-I67 VanDerWaalsContact O-N 3.09Å; C64-I67 PolarHBondContact O-N 2.98Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.46Å; I67-M70 PolarHBondContact O-N 3.3Å; I67-V71 HydrophobicContact CG2-CG2 4.3Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.25Å; I67-V71 PolarHBondContact O-N 3.32Å; I67-V100 HydrophobicContact CG1-CG1 4.29Å; I67-V100 HydrophobicContact CG2-CG1 4.48Å; I67-V100 HydrophobicContact CG2-CG2 4.34Å; I67-F103 HydrophobicContact CD1-CE1 4.38Å; I67-F103 HydrophobicContact CG1-CD1 4.07Å; I67-F103 HydrophobicContact CG1-CE1 4Å
68S96.9Very high92.9Very high75 Ų7549.2 Ų49.252%0.52428%0.281SS..Hα-helixtrans-60.9-39.2177.3-64.80000111.8C64 F72C64-S68 VanDerWaalsContact O-CB 3.23Å; C64-S68 WeakPolarHBondContact O-CB 3.5Å; C64-S68 PolarHBondContact O-N 3.35Å; C64-S68 PolarHBondContact O-OG 3.18Å; C64-S68 VanDerWaalsContact O-OG 3.05Å; S68-F72 VanDerWaalsContact O-CB 3.24Å; S68-F72 WeakPolarHBondContact O-CB 3.36Å; S68-F72 PolarHBondContact O-N 3.46Å
69S95.6Very high92Very high32 Ų3257.8 Ų57.822%0.22431%0.314CS..Hα-helixtrans-65.4-38.5176.7-59.50000112.7L65 P66 I67 G73L65-S69 VanDerWaalsContact O-CB 3.29Å; L65-S69 WeakPolarHBondContact O-CB 3.3Å; L65-S69 PolarHBondContact O-N 3.09Å; L65-S69 PolarHBondContact O-OG 3.37Å; P66-S69 PolarHBondContact O-N 2.88Å; I67-S69 VanDerWaalsContact C-N 3.29Å; I67-S69 PolarHBondContact O-N 3.46Å; S69-G73 WeakPolarHBondContact O-CA 3.41Å; S69-G73 PolarHBondContact O-N 3.37Å
70M94.2Very high91.1Very high0 Ų059.4 Ų59.40%033%0.327CS..Hα-helixtrans-70.7-44.8176.2-70.3178.2-131.200111.9P66 I67 F72 G73 E74 A99 V100 F103 F180 Y184P66-M70 HydrophobicContact CB-CE 3.67Å; P66-M70 WeakPolarHBondContact O-CG 3.34Å; P66-M70 PolarHBondContact O-N 3.46Å; I67-M70 PolarHBondContact O-N 3.3Å; M70-F72 PolarHBondContact O-N 2.9Å; M70-G73 PolarHBondContact O-N 3.26Å; M70-E74 WeakPolarHBondContact O-CB 3.26Å; M70-E74 WeakPolarHBondContact O-CG 3.41Å; M70-E74 PolarHBondContact O-N 3.45Å; M70-A99 HydrophobicContact CB-CB 4.38Å; M70-A99 HydrophobicContact CG-CB 4.44Å; M70-A99 HydrophobicContact SD-CB 4.02Å; M70-V100 HydrophobicContact CB-CG2 4.3Å; M70-F103 HydrophobicContact CE-CB 3.78Å; M70-F103 HydrophobicContact CE-CD1 4.17Å; M70-F103 HydrophobicContact CE-CD2 3.88Å; M70-F103 HydrophobicContact CE-CG 3.66Å; M70-F103 HydrophobicContact SD-CB 4.19Å; M70-F180 HydrophobicContact CE-CD1 3.67Å; M70-F180 HydrophobicContact CE-CE1 3.47Å; M70-F180 VanDerWaalsContact CE-CE1 3.47Å; M70-F180 HydrophobicContact SD-CE1 3.95Å; M70-Y184 HydrophobicContact CB-CE1 4.38Å; M70-Y184 HydrophobicContact CB-CE2 4.47Å; M70-Y184 HydrophobicContact CG-CD1 3.98Å; M70-Y184 HydrophobicContact CG-CD2 4.01Å; M70-Y184 HydrophobicContact CG-CE1 3.92Å; M70-Y184 HydrophobicContact CG-CE2 3.94Å; M70-Y184 HydrophobicContact CG-CG 4.03Å; M70-Y184 PolarHBondContact O-OH 3.02Å
71V93.4Very high89.8Confident52 Ų5265.1 Ų65.132%0.31535%0.346SS..Hα-helixtrans-58.9-49.8176.2171.20000110.3I67 C75 Y92 V96 V100I67-V71 HydrophobicContact CG2-CG2 4.3Å; I67-V71 VanDerWaalsContact O-CG2 3.29Å; I67-V71 WeakPolarHBondContact O-CG2 3.25Å; I67-V71 PolarHBondContact O-N 3.32Å; V71-C75 WeakPolarHBondContact O-CB 3.43Å; V71-C75 PolarHBondContact O-N 3.35Å; V71-Y92 WeakPolarHBondContact CG1-OH 3.39Å; V71-V96 HydrophobicContact CG2-CG1 3.94Å; V71-V100 HydrophobicContact CG2-CG2 4.49Å
72F92.8Very high87.9Confident142 Ų14272.9 Ų72.962%0.62337%0.367SS*.Hα-helixtrans-65-43.9177.6-179.7-101.4000112.2S68 M70 C75 L76S68-F72 VanDerWaalsContact O-CB 3.24Å; S68-F72 WeakPolarHBondContact O-CB 3.36Å; S68-F72 PolarHBondContact O-N 3.46Å; M70-F72 PolarHBondContact O-N 2.9Å; F72-C75 PolarHBondContact O-N 2.92Å; F72-L76 HydrophobicContact CE1-CD2 4.2Å; F72-L76 VanDerWaalsContact O-CB 3.32Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 PolarHBondContact O-N 3.36Å
73G89.4Confident85.5Confident15 Ų1580.8 Ų80.816%0.15541%0.407CS..Hα-helixtrans-61.1-48.9179.800000112.7S69 M70 C75 L76 L77S69-G73 WeakPolarHBondContact O-CA 3.41Å; S69-G73 PolarHBondContact O-N 3.37Å; M70-G73 PolarHBondContact O-N 3.26Å; G73-C75 VanDerWaalsContact C-N 3.34Å; G73-L76 PolarHBondContact O-N 3.27Å; G73-L77 WeakPolarHBondContact O-CB 3.37Å; G73-L77 VanDerWaalsContact O-CG 3.25Å; G73-L77 WeakPolarHBondContact O-CG 3.46Å; G73-L77 PolarHBondContact O-N 3.33Å
74E87.9Confident83.3Confident8 Ų886.9 Ų86.94%0.03743%0.434CS..Hα-helixtrans-67.3-35.4176.6-63-55.2141.800111.7M70 L77 V78 Y92 C95 V96 Y184 R188M70-E74 WeakPolarHBondContact O-CB 3.26Å; M70-E74 WeakPolarHBondContact O-CG 3.41Å; M70-E74 PolarHBondContact O-N 3.45Å; E74-L77 PolarHBondContact O-N 3.02Å; E74-V78 VanDerWaalsContact O-CG2 3.3Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 3.48Å; E74-Y92 HydrophobicContact CB-CD2 4.5Å; E74-Y92 HydrophobicContact CB-CE2 4.33Å; E74-C95 HydrophobicContact CG-CB 4.35Å; E74-V96 HydrophobicContact CB-CG2 3.77Å; E74-V96 HydrophobicContact CG-CG2 4.26Å; E74-Y184 WeakPolarHBondContact CG-OH 3.36Å; E74-Y184 PolarHBondContact N-OH 2.98Å; E74-Y184 WeakPolarHBondContact OE1-CE2 3.22Å; E74-Y184 PolarHBondContact OE1-OH 3.08Å; E74-R188 IonicContact OE1-CZ 3.66Å; E74-R188 IonicContact OE1-NE 3.05Å; E74-R188 PolarHBondContact OE1-NE 3.02Å; E74-R188 IonicContact OE1-NH2 2.83Å
75C86.1Confident80.8Confident62 Ų6287.4 Ų87.442%0.41944%0.438SS..Hα-helixtrans-63.4-46.5174.8-175.80000111.2V71 F72 G73 L77 V78 Y79 Y92V71-C75 WeakPolarHBondContact O-CB 3.43Å; V71-C75 PolarHBondContact O-N 3.35Å; F72-C75 PolarHBondContact O-N 2.92Å; G73-C75 VanDerWaalsContact C-N 3.34Å; C75-L77 PolarHBondContact O-N 2.62Å; C75-V78 PolarHBondContact O-N 3.24Å; C75-Y79 WeakPolarHBondContact O-CB 3.26Å; C75-Y79 PolarHBondContact O-N 2.93Å; C75-Y92 HydrophobicContact CB-CD2 4.48Å; C75-Y92 HydrophobicContact CB-CE2 3.66Å
76L85.6Confident78.6Confident68 Ų6894.3 Ų94.336%0.35647%0.465SS..Hα-helixtrans-63.6-41.1177.5-175.764.4000111.5F72 G73 V78 Y79 L80F72-L76 HydrophobicContact CE1-CD2 4.2Å; F72-L76 VanDerWaalsContact O-CB 3.32Å; F72-L76 WeakPolarHBondContact O-CB 3.47Å; F72-L76 PolarHBondContact O-N 3.36Å; G73-L76 PolarHBondContact O-N 3.27Å; L76-V78 PolarHBondContact O-N 3.19Å; L76-Y79 PolarHBondContact O-N 2.85Å; L76-L80 HydrophobicContact CD1-CD1 3.88Å; L76-L80 HydrophobicContact CD1-CD2 4.45Å; L76-L80 HydrophobicContact CD1-CG 3.91Å; L76-L80 HydrophobicContact CD2-CD1 4.25Å; L76-L80 HydrophobicContact CG-CD1 3.7Å; L76-L80 HydrophobicContact CG-CG 4.11Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.03Å; L76-L80 PolarHBondContact O-N 2.69Å
77L81.6Confident76.7Confident55 Ų5597.7 Ų97.729%0.28849%0.488SS..Hα-helixtrans-64.1-39.4176.9-73.5170.5000112.6G73 E74 C75 K81 R188G73-L77 WeakPolarHBondContact O-CB 3.37Å; G73-L77 VanDerWaalsContact O-CG 3.25Å; G73-L77 WeakPolarHBondContact O-CG 3.46Å; G73-L77 PolarHBondContact O-N 3.33Å; E74-L77 PolarHBondContact O-N 3.02Å; C75-L77 PolarHBondContact O-N 2.62Å; L77-K81 VanDerWaalsContact O-CB 3.29Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 PolarHBondContact O-N 3.42Å; L77-R188 HydrophobicContact CD1-CB 4.08Å; L77-R188 HydrophobicContact CD1-CG 3.97Å
78V79.3Confident75.1Confident43 Ų4399.3 Ų99.326%0.26150%0.501SS..Hα-helixtrans-66.9-40.6174.2170.40000110.9E74 C75 L76 T88 Y92E74-V78 VanDerWaalsContact O-CG2 3.3Å; E74-V78 WeakPolarHBondContact O-CG2 3.48Å; E74-V78 PolarHBondContact O-N 3.48Å; C75-V78 PolarHBondContact O-N 3.24Å; L76-V78 PolarHBondContact O-N 3.19Å; V78-T88 HydrophobicContact CG1-CG2 3.44Å; V78-T88 VanDerWaalsContact CG1-CG2 3.44Å; V78-Y92 HydrophobicContact CG2-CD2 4.24Å
79Y77.9Confident73.8Confident189 Ų189103.3 Ų103.374%0.74151%0.509SS*.Hα-helixtrans-67.1-44.3177179.7-99.3000112.8C75 L76C75-Y79 WeakPolarHBondContact O-CB 3.26Å; C75-Y79 PolarHBondContact O-N 2.93Å; L76-Y79 PolarHBondContact O-N 2.85Å
80L76.5Confident72.7Confident117 Ų117103.5 Ų103.561%0.61352%0.516SS*.Hα-helixtrans-74.8-27180-66.5177.5000112.6L76 R82L76-L80 HydrophobicContact CD1-CD1 3.88Å; L76-L80 HydrophobicContact CD1-CD2 4.45Å; L76-L80 HydrophobicContact CD1-CG 3.91Å; L76-L80 HydrophobicContact CD2-CD1 4.25Å; L76-L80 HydrophobicContact CG-CD1 3.7Å; L76-L80 HydrophobicContact CG-CG 4.11Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.33Å; L76-L80 VanDerWaalsContact O-CG 3.24Å; L76-L80 WeakPolarHBondContact O-CG 3.03Å; L76-L80 PolarHBondContact O-N 2.69Å; L80-R82 PolarHBondContact O-N 3.06Å
81K67.3Low71.8Confident173 Ų173108 Ų10875%0.75254%0.54SS*.SBendtrans-76.279.5165.4-85.8-175.1173.6178.10110.5L77L77-K81 VanDerWaalsContact O-CB 3.29Å; L77-K81 WeakPolarHBondContact O-CB 3.31Å; L77-K81 PolarHBondContact O-N 3.42Å
82R56.9Low71.2Confident236 Ų236108 Ų10889%0.89154%0.535SS*.  trans27.6101.5135.7-154.7166.5-173.5165-0.1115.1L80 E84L80-R82 PolarHBondContact O-N 3.06Å; R82-E84 PolarHBondContact O-N 2.87Å
83I47.1Very low70.7Confident170 Ų170104.4 Ų104.487%0.87252%0.524SS*.SBendtrans-41.6112.6171.6-61.2169.5000111.3
84E51Low70.3Confident189 Ų189105.1 Ų105.188%0.88353%0.529SS*.  trans-167.739.4151.8-123.2-178.4-165.200115.3R82R82-E84 PolarHBondContact O-N 2.87Å
85S45.5Very low70.1Confident85 Ų85107.2 Ų107.259%0.59454%0.544SS*.  trans-153.1136.7169.2-166.80000115.1S87 T88S85-S87 PolarHBondContact O-N 2.96Å; S85-T88 PolarHBondContact O-OG1 2.82Å
86K50.4Low70.1Confident219 Ų219105.3 Ų105.395%0.95253%0.53SS*.SBendtrans-70.113.3-168.9-86.3-178.7173.9176.90116.5
87S57.6Low70.2Confident71 Ų71105.1 Ų105.150%0.49753%0.525SS..  trans-147.163.1173.4-166.70000113.2S85 N91S85-S87 PolarHBondContact O-N 2.96Å; S87-N91 PolarHBondContact O-ND2 2.85Å
88T64.1Low70.5Confident85 Ų85108.2 Ų108.252%0.52154%0.536SS..Hα-helixtrans-68.1-35.8-177.6-37.80000112.9V78 S85 Y92V78-T88 HydrophobicContact CG1-CG2 3.44Å; V78-T88 VanDerWaalsContact CG1-CG2 3.44Å; S85-T88 PolarHBondContact O-OG1 2.82Å; T88-Y92 PolarHBondContact O-N 3.21Å; T88-Y92 VanDerWaalsContact O-N 3.13Å
89F70.5Confident71.1Confident159 Ų159106.2 Ų106.270%0.69752%0.524SS*.Hα-helixtrans-71.3-42.7-174.9-173.4-104.2000113N91 Y92 V93F89-N91 VanDerWaalsContact C-N 3.31Å; F89-N91 PolarHBondContact O-N 3.39Å; F89-Y92 PolarHBondContact O-N 3.3Å; F89-V93 HydrophobicContact CD1-CG2 4.2Å; F89-V93 HydrophobicContact CE1-CG2 3.82Å; F89-V93 HydrophobicContact CE2-CG2 4.23Å; F89-V93 HydrophobicContact CZ-CG2 3.84Å; F89-V93 WeakPolarHBondContact O-CG2 3.19Å; F89-V93 PolarHBondContact O-N 2.88Å
90G71.9Confident71.8Confident36 Ų3698.6 Ų98.637%0.37150%0.497SS..Hα-helixtrans-62.8-38.7178.300000112.7A94G90-A94 WeakPolarHBondContact O-CB 3.35Å; G90-A94 PolarHBondContact O-N 3.36Å
91N74.3Confident72.5Confident95 Ų9594.1 Ų94.151%0.50848%0.48SS..Hα-helixtrans-69.4-41.3177.5-70.5-15.2000112S87 F89 A94 C95S87-N91 PolarHBondContact O-ND2 2.85Å; F89-N91 VanDerWaalsContact C-N 3.31Å; F89-N91 PolarHBondContact O-N 3.39Å; N91-A94 PolarHBondContact O-N 3.2Å; N91-C95 PolarHBondContact O-N 2.89Å; N91-C95 PolarHBondContact O-SG 2.83Å; N91-C95 VanDerWaalsContact O-SG 3.33Å
92Y80.8Confident73.7Confident50 Ų5087.1 Ų87.120%0.19645%0.451CS..Hα-helixtrans-58.7-51173.7167.7-110.5000111.9V71 E74 C75 V78 T88 F89 A94 C95 V96V71-Y92 WeakPolarHBondContact CG1-OH 3.39Å; E74-Y92 HydrophobicContact CB-CD2 4.5Å; E74-Y92 HydrophobicContact CB-CE2 4.33Å; C75-Y92 HydrophobicContact CB-CD2 4.48Å; C75-Y92 HydrophobicContact CB-CE2 3.66Å; V78-Y92 HydrophobicContact CG2-CD2 4.24Å; T88-Y92 PolarHBondContact O-N 3.21Å; T88-Y92 VanDerWaalsContact O-N 3.13Å; F89-Y92 PolarHBondContact O-N 3.3Å; Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.22Å; Y92-C95 PolarHBondContact O-N 3.03Å; Y92-V96 HydrophobicContact CD2-CG2 3.89Å; Y92-V96 HydrophobicContact CE1-CG2 4.33Å; Y92-V96 HydrophobicContact CE2-CG2 3.37Å; Y92-V96 WeakPolarHBondContact O-CG2 3.27Å; Y92-V96 PolarHBondContact O-N 3.34Å
93V82.3Confident75.6Confident67 Ų6775.9 Ų75.941%0.40641%0.409SS..Hα-helixtrans-60.7-40.4-179.9173.50000111F89 Y97F89-V93 HydrophobicContact CD1-CG2 4.2Å; F89-V93 HydrophobicContact CE1-CG2 3.82Å; F89-V93 HydrophobicContact CE2-CG2 4.23Å; F89-V93 HydrophobicContact CZ-CG2 3.84Å; F89-V93 WeakPolarHBondContact O-CG2 3.19Å; F89-V93 PolarHBondContact O-N 2.88Å; V93-Y97 VanDerWaalsContact O-CB 3.23Å; V93-Y97 WeakPolarHBondContact O-CB 3.49Å; V93-Y97 PolarHBondContact O-N 2.89Å
94A81.4Confident77.9Confident30 Ų3071.2 Ų71.225%0.24839%0.388CS..Hα-helixtrans-64.4-42.4176.600000112.7G90 N91 Y92 Y97 K98G90-A94 WeakPolarHBondContact O-CB 3.35Å; G90-A94 PolarHBondContact O-N 3.36Å; N91-A94 PolarHBondContact O-N 3.2Å; Y92-A94 VanDerWaalsContact C-N 3.29Å; Y92-A94 PolarHBondContact O-N 3.22Å; A94-Y97 PolarHBondContact O-N 3.16Å; A94-K98 WeakPolarHBondContact O-CG 3.35Å; A94-K98 PolarHBondContact O-N 2.92Å
95C83.2Confident80Confident53 Ų5364.4 Ų64.436%0.35836%0.356SS..Hα-helixtrans-64.9-46.1177.1-70.90000112.1E74 N91 Y92 K98 A99E74-C95 HydrophobicContact CG-CB 4.35Å; N91-C95 PolarHBondContact O-N 2.89Å; N91-C95 PolarHBondContact O-SG 2.83Å; N91-C95 VanDerWaalsContact O-SG 3.33Å; Y92-C95 PolarHBondContact O-N 3.03Å; C95-K98 PolarHBondContact O-N 2.94Å; C95-A99 WeakPolarHBondContact O-CB 3.37Å; C95-A99 PolarHBondContact O-N 3.35Å
96V87.9Confident82.4Confident22 Ų2260.3 Ų60.313%0.13333%0.328CS..Hα-helixtrans-62.5-45.2176.6172.40000110.7V71 E74 Y92 K98 A99 V100V71-V96 HydrophobicContact CG2-CG1 3.94Å; E74-V96 HydrophobicContact CB-CG2 3.77Å; E74-V96 HydrophobicContact CG-CG2 4.26Å; Y92-V96 HydrophobicContact CD2-CG2 3.89Å; Y92-V96 HydrophobicContact CE1-CG2 4.33Å; Y92-V96 HydrophobicContact CE2-CG2 3.37Å; Y92-V96 WeakPolarHBondContact O-CG2 3.27Å; Y92-V96 PolarHBondContact O-N 3.34Å; V96-K98 PolarHBondContact O-N 3.15Å; V96-A99 PolarHBondContact O-N 3.33Å; V96-V100 HydrophobicContact CG1-CG2 4.02Å; V96-V100 WeakPolarHBondContact O-CB 3.22Å; V96-V100 WeakPolarHBondContact O-CG2 3.3Å; V96-V100 PolarHBondContact O-N 3.32Å
97Y87.8Confident84.6Confident64 Ų6450.3 Ų50.325%0.25129%0.285SS..Hα-helixtrans-57.6-47.7176.4170.4-95.6000111.5M8 D11 V93 A94 A99 G101M8-Y97 HydrophobicContact CE-CD1 4.25Å; M8-Y97 HydrophobicContact CE-CD2 3.48Å; M8-Y97 VanDerWaalsContact CE-CD2 3.48Å; M8-Y97 HydrophobicContact CE-CE1 3.94Å; M8-Y97 HydrophobicContact CE-CE2 3.08Å; M8-Y97 HydrophobicContact CE-CG 4.04Å; M8-Y97 HydrophobicContact SD-CD1 3.57Å; M8-Y97 VanDerWaalsContact SD-CD1 3.57Å; M8-Y97 HydrophobicContact SD-CD2 3.95Å; M8-Y97 HydrophobicContact SD-CE1 3.17Å; M8-Y97 WeakPolarHBondContact SD-CE1 3.39Å; M8-Y97 HydrophobicContact SD-CE2 3.58Å; M8-Y97 VanDerWaalsContact SD-CE2 3.58Å; M8-Y97 HydrophobicContact SD-CG 3.93Å; D11-Y97 VanDerWaalsContact CB-OH 3.3Å; D11-Y97 WeakPolarHBondContact CB-OH 3.45Å; D11-Y97 PolarHBondContact OD2-OH 3.38Å; V93-Y97 VanDerWaalsContact O-CB 3.23Å; V93-Y97 WeakPolarHBondContact O-CB 3.49Å; V93-Y97 PolarHBondContact O-N 2.89Å; A94-Y97 PolarHBondContact O-N 3.16Å; Y97-A99 PolarHBondContact O-N 3.48Å; Y97-G101 VanDerWaalsContact O-CA 3.26Å; Y97-G101 WeakPolarHBondContact O-CA 3.44Å; Y97-G101 PolarHBondContact O-N 2.88Å
98K87.8Confident86.4Confident119 Ų11947.4 Ų47.452%0.51727%0.267SS..Hα-helixtrans-61.9-44.2178.1-74.6-177.4174.3-164.80111.8A94 C95 V96 T102 D247A94-K98 WeakPolarHBondContact O-CG 3.35Å; A94-K98 PolarHBondContact O-N 2.92Å; C95-K98 PolarHBondContact O-N 2.94Å; V96-K98 PolarHBondContact O-N 3.15Å; K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 VanDerWaalsContact O-CG2 3.22Å; K98-T102 WeakPolarHBondContact O-CG2 3.47Å; K98-T102 PolarHBondContact O-N 2.91Å; K98-T102 VanDerWaalsContact O-N 3.12Å; K98-T102 PolarHBondContact O-OG1 3.44Å; K98-D247 IonicContact NZ-OD2 3.8Å
99A90.1Very high87.9Confident1 Ų146.8 Ų46.81%0.00826%0.259CS..Hα-helixtrans-67.6-51.6-17900000112.4M70 C95 V96 Y97 T102 F103 Y184 F248M70-A99 HydrophobicContact CB-CB 4.38Å; M70-A99 HydrophobicContact CG-CB 4.44Å; M70-A99 HydrophobicContact SD-CB 4.02Å; C95-A99 WeakPolarHBondContact O-CB 3.37Å; C95-A99 PolarHBondContact O-N 3.35Å; V96-A99 PolarHBondContact O-N 3.33Å; Y97-A99 PolarHBondContact O-N 3.48Å; A99-T102 PolarHBondContact O-OG1 3.02Å; A99-F103 WeakPolarHBondContact O-CB 3.49Å; A99-F103 PolarHBondContact O-N 2.71Å; A99-Y184 HydrophobicContact CB-CE2 4.41Å; A99-F248 HydrophobicContact CB-CE1 3.87Å; A99-F248 HydrophobicContact CB-CZ 3.94Å
100V93.4Very high89.1Confident29 Ų2939.3 Ų39.318%0.17623%0.226CC..Hα-helixtrans-71.2-40-179175.40000111.2I67 M70 V71 V96 F103 V104I67-V100 HydrophobicContact CG1-CG1 4.29Å; I67-V100 HydrophobicContact CG2-CG1 4.48Å; I67-V100 HydrophobicContact CG2-CG2 4.34Å; M70-V100 HydrophobicContact CB-CG2 4.3Å; V71-V100 HydrophobicContact CG2-CG2 4.49Å; V96-V100 HydrophobicContact CG1-CG2 4.02Å; V96-V100 WeakPolarHBondContact O-CB 3.22Å; V96-V100 WeakPolarHBondContact O-CG2 3.3Å; V96-V100 PolarHBondContact O-N 3.32Å; V100-F103 WeakPolarHBondContact O-CB 3.39Å; V100-F103 PolarHBondContact O-N 3.21Å; V100-V104 HydrophobicContact CG1-CG2 4.18Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.41Å
101G91.7Very high90.3Very high24 Ų2437.9 Ų37.925%0.24721%0.21CC..Hα-helixtrans-61.6-47.1178.400000112.2Y97 F103 V104 F105Y97-G101 VanDerWaalsContact O-CA 3.26Å; Y97-G101 WeakPolarHBondContact O-CA 3.44Å; Y97-G101 PolarHBondContact O-N 2.88Å; G101-F103 VanDerWaalsContact C-N 3.33Å; G101-F103 PolarHBondContact O-N 3.12Å; G101-V104 PolarHBondContact O-N 3.34Å; G101-F105 VanDerWaalsContact O-CB 3.27Å; G101-F105 WeakPolarHBondContact O-CB 3.19Å; G101-F105 PolarHBondContact O-N 3.02Å
102T92.9Very high91.3Very high25 Ų2533.6 Ų33.615%0.15319%0.187CC..Hα-helixtrans-63.9-37.9176.351.70000112.4K98 A99 G106 V241 I245K98-T102 WeakPolarHBondContact O-CB 3.35Å; K98-T102 VanDerWaalsContact O-CG2 3.22Å; K98-T102 WeakPolarHBondContact O-CG2 3.47Å; K98-T102 PolarHBondContact O-N 2.91Å; K98-T102 VanDerWaalsContact O-N 3.12Å; K98-T102 PolarHBondContact O-OG1 3.44Å; A99-T102 PolarHBondContact O-OG1 3.02Å; T102-G106 PolarHBondContact O-N 3.35Å; T102-V241 WeakPolarHBondContact O-CG1 3.11Å; T102-I245 HydrophobicContact CG2-CG2 4.21Å
103F96.3Very high92Very high0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-62.2-51173.6172.4-109.3000112.7L63 P66 I67 M70 A99 V100 G101 F105 G106 A107 Y176 C177 F180L63-F103 HydrophobicContact CD2-CE1 3.94Å; L63-F103 HydrophobicContact CD2-CZ 4.26Å; P66-F103 HydrophobicContact CB-CE1 4.13Å; P66-F103 HydrophobicContact CB-CE2 3.96Å; P66-F103 HydrophobicContact CB-CZ 3.75Å; P66-F103 HydrophobicContact CG-CE2 4.2Å; P66-F103 HydrophobicContact CG-CZ 3.88Å; I67-F103 HydrophobicContact CD1-CE1 4.38Å; I67-F103 HydrophobicContact CG1-CD1 4.07Å; I67-F103 HydrophobicContact CG1-CE1 4Å; M70-F103 HydrophobicContact CE-CB 3.78Å; M70-F103 HydrophobicContact CE-CD1 4.17Å; M70-F103 HydrophobicContact CE-CD2 3.88Å; M70-F103 HydrophobicContact CE-CG 3.66Å; M70-F103 HydrophobicContact SD-CB 4.19Å; A99-F103 WeakPolarHBondContact O-CB 3.49Å; A99-F103 PolarHBondContact O-N 2.71Å; V100-F103 WeakPolarHBondContact O-CB 3.39Å; V100-F103 PolarHBondContact O-N 3.21Å; G101-F103 VanDerWaalsContact C-N 3.33Å; G101-F103 PolarHBondContact O-N 3.12Å; F103-F105 VanDerWaalsContact C-N 3.35Å; F103-F105 PolarHBondContact O-N 3.24Å; F103-G106 PolarHBondContact O-N 3.13Å; F103-A107 WeakPolarHBondContact O-CB 3.32Å; F103-A107 PolarHBondContact O-N 2.91Å; F103-Y176 AromaticContact CD2-CE1 3.83Å; F103-Y176 HydrophobicContact CD2-CE1 3.83Å; F103-Y176 HydrophobicContact CE2-CD1 4.31Å; F103-Y176 AromaticContact CE2-CE1 3.73Å; F103-Y176 HydrophobicContact CE2-CE1 3.73Å; F103-Y176 PolarHBondContact O-OH 2.91Å; F103-C177 HydrophobicContact CE2-CB 4.32Å; F103-C177 HydrophobicContact CZ-CB 4.35Å; F103-F180 HydrophobicContact CB-CD1 4.27Å; F103-F180 HydrophobicContact CB-CE1 3.72Å; F103-F180 HydrophobicContact CB-CE2 4.34Å; F103-F180 HydrophobicContact CB-CZ 3.75Å; F103-F180 HydrophobicContact CD2-CB 4.25Å; F103-F180 AromaticContact CD2-CD1 3.59Å; F103-F180 HydrophobicContact CD2-CD1 3.59Å; F103-F180 HydrophobicContact CD2-CD2 4.26Å; F103-F180 AromaticContact CD2-CE1 3.95Å; F103-F180 HydrophobicContact CD2-CE1 3.95Å; F103-F180 AromaticContact CD2-CG 3.77Å; F103-F180 HydrophobicContact CD2-CG 3.77Å; F103-F180 HydrophobicContact CD2-CZ 4.41Å; F103-F180 HydrophobicContact CE2-CB 4.47Å; F103-F180 HydrophobicContact CE2-CD1 4.41Å; F103-F180 HydrophobicContact CE2-CG 4.46Å; F103-F180 HydrophobicContact CG-CD1 4.32Å; F103-F180 HydrophobicContact CG-CE1 4.25Å
104V95.6Very high92.7Very high72 Ų7231.8 Ų31.844%0.43618%0.179SC..Hα-helixtrans-65.4-40.6-178.8172.10000110.9V100 G101 A107 G108V100-V104 HydrophobicContact CG1-CG2 4.18Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.41Å; G101-V104 PolarHBondContact O-N 3.34Å; V104-A107 PolarHBondContact O-N 3.2Å; V104-G108 PolarHBondContact O-N 3.42Å
105F94.8Very high93.3Very high46 Ų4630.6 Ų30.620%0.20217%0.168CC..Hα-helixtrans-56.2-52.6174.1172.7-99000111.5C14 G101 F103 A107 G108 M109 I245C14-F105 HydrophobicContact CB-CE2 4.36Å; G101-F105 VanDerWaalsContact O-CB 3.27Å; G101-F105 WeakPolarHBondContact O-CB 3.19Å; G101-F105 PolarHBondContact O-N 3.02Å; F103-F105 VanDerWaalsContact C-N 3.35Å; F103-F105 PolarHBondContact O-N 3.24Å; F105-A107 PolarHBondContact O-N 3.1Å; F105-G108 PolarHBondContact O-N 3.04Å; F105-M109 HydrophobicContact CD1-CG 4.38Å; F105-M109 HydrophobicContact CD2-CG 4.49Å; F105-M109 HydrophobicContact CE1-CG 3.9Å; F105-M109 HydrophobicContact CE2-CG 4.04Å; F105-M109 HydrophobicContact CE2-SD 4.35Å; F105-M109 HydrophobicContact CZ-CG 3.72Å; F105-M109 HydrophobicContact CZ-SD 4.08Å; F105-M109 WeakPolarHBondContact O-CG 3.23Å; F105-M109 PolarHBondContact O-N 3.32Å; F105-I245 HydrophobicContact CD1-CD1 4.14Å; F105-I245 HydrophobicContact CE1-CD1 3.65Å
106G96.1Very high93.8Very high0 Ų031.3 Ų31.30%017%0.168CC..Hα-helixtrans-66.3-35.6-179.800000113.4T102 F103 M109 S110 Y176T102-G106 PolarHBondContact O-N 3.35Å; F103-G106 PolarHBondContact O-N 3.13Å; G106-M109 PolarHBondContact O-N 3.46Å; G106-S110 WeakPolarHBondContact O-CB 3.43Å; G106-S110 PolarHBondContact O-N 2.89Å; G106-Y176 VanDerWaalsContact CA-OH 3.24Å; G106-Y176 WeakPolarHBondContact CA-OH 3.48Å
107A96.4Very high94.2Very high8 Ų831 Ų317%0.06617%0.168CC..Hα-helixtrans-61.1-45.9173.700000111.1F103 V104 F105 S110 Q111 F173 Y176F103-A107 WeakPolarHBondContact O-CB 3.32Å; F103-A107 PolarHBondContact O-N 2.91Å; V104-A107 PolarHBondContact O-N 3.2Å; F105-A107 PolarHBondContact O-N 3.1Å; A107-S110 PolarHBondContact O-N 2.96Å; A107-Q111 WeakPolarHBondContact O-CB 3.17Å; A107-Q111 PolarHBondContact O-N 3.34Å; A107-F173 HydrophobicContact CB-CE2 4.42Å; A107-Y176 VanDerWaalsContact CA-CE1 3.46Å; A107-Y176 HydrophobicContact CB-CD1 4.05Å; A107-Y176 HydrophobicContact CB-CE1 3.62Å; A107-Y176 VanDerWaalsContact N-CE1 3.29Å; A107-Y176 VanDerWaalsContact N-CZ 3.3Å; A107-Y176 PolarHBondContact N-OH 3.03Å
108G95.3Very high94.5Very high11 Ų1129 Ų2911%0.11316%0.16CC..Hα-helixtrans-60.1-48.717600000112.2V104 F105 S110 Q111 S112V104-G108 PolarHBondContact O-N 3.42Å; F105-G108 PolarHBondContact O-N 3.04Å; G108-S110 PolarHBondContact O-N 3.47Å; G108-Q111 PolarHBondContact O-N 2.82Å; G108-S112 WeakPolarHBondContact O-CB 3.44Å; G108-S112 PolarHBondContact O-N 2.68Å; G108-S112 PolarHBondContact O-OG 3.48Å
109M95.2Very high94.8Very high72 Ų7225 Ų2536%0.35514%0.142SC..Hα-helixtrans-59.5-46.1176.7-71.4-73.6-69.300112.4F105 G106 Q111 S112 L113 M237F105-M109 HydrophobicContact CD1-CG 4.38Å; F105-M109 HydrophobicContact CD2-CG 4.49Å; F105-M109 HydrophobicContact CE1-CG 3.9Å; F105-M109 HydrophobicContact CE2-CG 4.04Å; F105-M109 HydrophobicContact CE2-SD 4.35Å; F105-M109 HydrophobicContact CZ-CG 3.72Å; F105-M109 HydrophobicContact CZ-SD 4.08Å; F105-M109 WeakPolarHBondContact O-CG 3.23Å; F105-M109 PolarHBondContact O-N 3.32Å; G106-M109 PolarHBondContact O-N 3.46Å; M109-Q111 VanDerWaalsContact C-N 3.34Å; M109-Q111 PolarHBondContact O-N 3.34Å; M109-S112 PolarHBondContact O-N 3.49Å; M109-L113 PolarHBondContact O-N 3.38Å; M109-M237 HydrophobicContact CB-CE 4.22Å; M109-M237 HydrophobicContact CB-SD 4.31Å
110S96.6Very high95Very high1 Ų128.7 Ų28.71%0.00717%0.168CC..Hα-helixtrans-60.5-44.6177.8-166.40000111.8G106 A107 G108 L113 T114 Q233G106-S110 WeakPolarHBondContact O-CB 3.43Å; G106-S110 PolarHBondContact O-N 2.89Å; A107-S110 PolarHBondContact O-N 2.96Å; G108-S110 PolarHBondContact O-N 3.47Å; S110-L113 PolarHBondContact O-N 2.82Å; S110-T114 PolarHBondContact O-N 3.49Å; S110-T114 PolarHBondContact O-OG1 2.97Å; S110-Q233 PolarHBondContact OG-NE2 3.45Å; S110-Q233 PolarHBondContact OG-OE1 3.2Å
111Q95.6Very high95.1Very high6 Ų630.6 Ų30.63%0.02818%0.176CC..Hα-helixtrans-71.3-40.1-177.5-168.564.429.400111.6L22 A107 G108 M109 L113 T114 D115L22-Q111 HydrophobicContact CD1-CG 3.6Å; L22-Q111 HydrophobicContact CD2-CB 4.11Å; L22-Q111 HydrophobicContact CD2-CG 3.91Å; L22-Q111 HydrophobicContact CG-CG 4.22Å; A107-Q111 WeakPolarHBondContact O-CB 3.17Å; A107-Q111 PolarHBondContact O-N 3.34Å; G108-Q111 PolarHBondContact O-N 2.82Å; M109-Q111 VanDerWaalsContact C-N 3.34Å; M109-Q111 PolarHBondContact O-N 3.34Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3.46Å; Q111-T114 WeakPolarHBondContact O-CB 3.38Å; Q111-T114 PolarHBondContact O-N 2.77Å; Q111-D115 PolarHBondContact NE2-OD1 2.83Å; Q111-D115 PolarHBondContact O-N 3.09Å
112S95.7Very high95.2Very high5 Ų529.5 Ų29.54%0.03516%0.164CC..Hα-helixtrans-58.1-44.9172.9-73.90000112G18 P21 L22 G108 M109 T114 D115 I116G18-S112 VanDerWaalsContact O-CB 3.24Å; G18-S112 WeakPolarHBondContact O-CB 3.36Å; G18-S112 PolarHBondContact O-OG 2.66Å; P21-S112 WeakPolarHBondContact CD-OG 3.04Å; L22-S112 PolarHBondContact N-OG 3.43Å; G108-S112 WeakPolarHBondContact O-CB 3.44Å; G108-S112 PolarHBondContact O-N 2.68Å; G108-S112 PolarHBondContact O-OG 3.48Å; M109-S112 PolarHBondContact O-N 3.49Å; S112-T114 VanDerWaalsContact C-N 3.31Å; S112-T114 PolarHBondContact O-N 3.49Å; S112-D115 PolarHBondContact O-N 2.87Å; S112-I116 WeakPolarHBondContact O-CB 3.22Å; S112-I116 WeakPolarHBondContact O-CD1 3.12Å; S112-I116 VanDerWaalsContact O-CG1 3.22Å; S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 3.17Å
113L96.1Very high95.4Very high80 Ų8031 Ų3142%0.41917%0.168SC..Hα-helixtrans-63.1-39.1176.5-173.463.8000112M109 S110 Q111 A117 Y167 Q233M109-L113 PolarHBondContact O-N 3.38Å; S110-L113 PolarHBondContact O-N 2.82Å; Q111-L113 VanDerWaalsContact C-N 3.34Å; Q111-L113 PolarHBondContact O-N 3.46Å; L113-A117 WeakPolarHBondContact O-CB 3.29Å; L113-A117 PolarHBondContact O-N 3.21Å; L113-A117 VanDerWaalsContact O-N 3.1Å; L113-Y167 WeakPolarHBondContact CG-OH 3.14Å; L113-Y167 PolarHBondContact O-OH 2.85Å; L113-Q233 HydrophobicContact CD2-CG 3.9Å
114T95.9Very high95.4Very high0 Ų031.3 Ų31.30%017%0.169CC..Hα-helixtrans-61.2-47.4175.2-60.70000111S110 Q111 S112 A117 K118 Y167 S172 Q233S110-T114 PolarHBondContact O-N 3.49Å; S110-T114 PolarHBondContact O-OG1 2.97Å; Q111-T114 WeakPolarHBondContact O-CB 3.38Å; Q111-T114 PolarHBondContact O-N 2.77Å; S112-T114 VanDerWaalsContact C-N 3.31Å; S112-T114 PolarHBondContact O-N 3.49Å; T114-A117 PolarHBondContact O-N 3.45Å; T114-K118 HydrophobicContact CG2-CD 4.13Å; T114-K118 WeakPolarHBondContact O-CG 3.45Å; T114-K118 PolarHBondContact O-N 2.66Å; T114-Y167 WeakPolarHBondContact CA-OH 3.46Å; T114-Y167 HydrophobicContact CG2-CD2 4.33Å; T114-Y167 HydrophobicContact CG2-CE2 4.02Å; T114-Y167 PolarHBondContact N-OH 3.36Å; T114-Y167 WeakPolarHBondContact OG1-CE2 3.48Å; T114-S172 PolarHBondContact OG1-OG 2.81Å; T114-Q233 PolarHBondContact OG1-OE1 3.18Å
115D94.3Very high95.5Very high4 Ų429.4 Ų29.42%0.02115%0.154CC..Hα-helixtrans-71.3-40.7-176.3-71.8-12.6000111.3L22 F25 N26 Q111 S112 A117 K118 Y119L22-D115 WeakPolarHBondContact CD1-OD2 3.49Å; F25-D115 HydrophobicContact CB-CB 4.38Å; F25-D115 HydrophobicContact CD2-CB 3.96Å; N26-D115 PolarHBondContact ND2-OD2 3.44Å; Q111-D115 PolarHBondContact NE2-OD1 2.83Å; Q111-D115 PolarHBondContact O-N 3.09Å; S112-D115 PolarHBondContact O-N 2.87Å; D115-A117 VanDerWaalsContact C-N 3.31Å; D115-A117 PolarHBondContact O-N 2.95Å; D115-K118 PolarHBondContact O-N 2.82Å; D115-K118 IonicContact OD1-NZ 3.72Å; D115-Y119 VanDerWaalsContact O-CD2 3.28Å; D115-Y119 WeakPolarHBondContact O-CD2 3.35Å; D115-Y119 PolarHBondContact O-N 2.74Å
116I94.6Very high95.7Very high69 Ų6927.6 Ų27.635%0.35415%0.147SC..Hα-helixtrans-51.9-52170.6-69163.4000110P21 F25 S112 K118 Y119 S120P21-I116 HydrophobicContact CB-CD1 4Å; P21-I116 HydrophobicContact CB-CG1 3.95Å; P21-I116 HydrophobicContact CG-CD1 4.06Å; F25-I116 HydrophobicContact CE2-CB 4.48Å; F25-I116 HydrophobicContact CE2-CG1 3.83Å; S112-I116 WeakPolarHBondContact O-CB 3.22Å; S112-I116 WeakPolarHBondContact O-CD1 3.12Å; S112-I116 VanDerWaalsContact O-CG1 3.22Å; S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 3.17Å; I116-K118 PolarHBondContact O-N 2.96Å; I116-Y119 PolarHBondContact O-N 3.18Å; I116-S120 VanDerWaalsContact O-CB 3.25Å; I116-S120 WeakPolarHBondContact O-CB 3.02Å; I116-S120 PolarHBondContact O-N 2.98Å; I116-S120 PolarHBondContact O-OG 3.42Å
117A95.2Very high95.8Very high16 Ų1627.7 Ų27.713%0.13215%0.147CC..Hα-helixtrans-59.8-45.4-179.200000112.7L113 T114 D115 S120 I121 F166 Y167L113-A117 WeakPolarHBondContact O-CB 3.29Å; L113-A117 PolarHBondContact O-N 3.21Å; L113-A117 VanDerWaalsContact O-N 3.1Å; T114-A117 PolarHBondContact O-N 3.45Å; D115-A117 VanDerWaalsContact C-N 3.31Å; D115-A117 PolarHBondContact O-N 2.95Å; A117-S120 PolarHBondContact O-N 3.15Å; A117-I121 WeakPolarHBondContact O-CB 3.13Å; A117-I121 WeakPolarHBondContact O-CG1 3.23Å; A117-I121 PolarHBondContact O-N 3.07Å; A117-F166 CarbonylContact C-O 3.43Å; A117-Y167 HydrophobicContact CB-CD1 4.02Å; A117-Y167 HydrophobicContact CB-CE1 3.61Å
118K94.8Very high95.8Very high22 Ų2227.3 Ų27.310%0.09614%0.144CC..Hα-helixtrans-63-47.1-179.1-73171.1175.8168.30112.8T114 D115 I116 G122 L164 F166 Y167T114-K118 HydrophobicContact CG2-CD 4.13Å; T114-K118 WeakPolarHBondContact O-CG 3.45Å; T114-K118 PolarHBondContact O-N 2.66Å; D115-K118 PolarHBondContact O-N 2.82Å; D115-K118 IonicContact OD1-NZ 3.72Å; I116-K118 PolarHBondContact O-N 2.96Å; K118-G122 PolarHBondContact O-N 3.47Å; K118-G122 VanDerWaalsContact O-N 3.12Å; K118-L164 HydrophobicContact CB-CB 4.35Å; K118-L164 HydrophobicContact CB-CD2 3.8Å; K118-L164 HydrophobicContact CD-CB 4.4Å; K118-F166 WeakPolarHBondContact CA-O 3.29Å; K118-F166 VanDerWaalsContact CG-O 3.28Å; K118-F166 WeakPolarHBondContact CG-O 3.3Å; K118-F166 PolarHBondContact N-O 2.88Å; K118-Y167 WeakPolarHBondContact CE-O 3.14Å
119Y94.1Very high95.9Very high35 Ų3527.6 Ų27.614%0.13714%0.143CC..Hα-helixtrans-73.8-30.9-177.1-79.8-89.5000112.1F25 V30 P32 Y33 D115 I116 L164F25-Y119 HydrophobicContact CB-CD2 3.81Å; F25-Y119 HydrophobicContact CB-CE2 3.6Å; F25-Y119 HydrophobicContact CB-CG 4.45Å; F25-Y119 AromaticContact CD1-CD1 3.91Å; F25-Y119 HydrophobicContact CD1-CD1 3.91Å; F25-Y119 AromaticContact CD1-CD2 3.73Å; F25-Y119 HydrophobicContact CD1-CD2 3.73Å; F25-Y119 HydrophobicContact CD1-CE1 4.41Å; F25-Y119 HydrophobicContact CD1-CE2 4.25Å; F25-Y119 AromaticContact CD1-CG 3.54Å; F25-Y119 HydrophobicContact CD1-CG 3.54Å; F25-Y119 HydrophobicContact CD2-CD2 4.34Å; F25-Y119 HydrophobicContact CE1-CD1 4.44Å; F25-Y119 HydrophobicContact CE1-CD2 4.42Å; F25-Y119 AromaticContact CE1-CG 3.95Å; F25-Y119 HydrophobicContact CE1-CG 3.95Å; F25-Y119 AromaticContact CG-CD2 3.71Å; F25-Y119 HydrophobicContact CG-CD2 3.71Å; F25-Y119 HydrophobicContact CG-CE2 4.05Å; F25-Y119 HydrophobicContact CG-CG 4.03Å; F25-Y119 PolarHBondContact O-OH 3Å; V30-Y119 HydrophobicContact CB-CD1 4.36Å; V30-Y119 HydrophobicContact CB-CE1 4.33Å; V30-Y119 HydrophobicContact CG1-CD1 4.26Å; V30-Y119 VanDerWaalsContact O-CE1 3.27Å; V30-Y119 WeakPolarHBondContact O-CE1 3.25Å; P32-Y119 HydrophobicContact CB-CD1 4.16Å; Y33-Y119 WeakPolarHBondContact CB-O 3.46Å; Y33-Y119 PolarHBondContact N-O 3.07Å; D115-Y119 VanDerWaalsContact O-CD2 3.28Å; D115-Y119 WeakPolarHBondContact O-CD2 3.35Å; D115-Y119 PolarHBondContact O-N 2.74Å; I116-Y119 PolarHBondContact O-N 3.18Å; Y119-L164 HydrophobicContact CD1-CD2 4.1Å; Y119-L164 HydrophobicContact CD2-CD2 3.95Å; Y119-L164 HydrophobicContact CE1-CD2 4.07Å; Y119-L164 HydrophobicContact CE2-CD1 4.29Å; Y119-L164 HydrophobicContact CE2-CD2 3.94Å; Y119-L164 HydrophobicContact CG-CD2 4.05Å
120S94.3Very high96Very high78 Ų7827.6 Ų27.655%0.54515%0.145SC..Hα-helixtrans-76.3-39.2176.5-63.10000113.7Y33 I116 A117Y33-S120 WeakPolarHBondContact CB-O 3.34Å; I116-S120 VanDerWaalsContact O-CB 3.25Å; I116-S120 WeakPolarHBondContact O-CB 3.02Å; I116-S120 PolarHBondContact O-N 2.98Å; I116-S120 PolarHBondContact O-OG 3.42Å; A117-S120 PolarHBondContact O-N 3.15Å
121I95.3Very high96Very high69 Ų6927.9 Ų27.935%0.35415%0.146SC..Hα-helixtrans-88.7-35-173.6-68167.3000112.3A117 R123 F166A117-I121 WeakPolarHBondContact O-CB 3.13Å; A117-I121 WeakPolarHBondContact O-CG1 3.23Å; A117-I121 PolarHBondContact O-N 3.07Å; I121-R123 HydrophobicContact CG2-CB 4.09Å; I121-R123 PolarHBondContact O-N 2.95Å; I121-F166 HydrophobicContact CD1-CD1 3.24Å; I121-F166 HydrophobicContact CD1-CE1 3.5Å; I121-F166 VanDerWaalsContact CD1-CE1 3.5Å; I121-F166 HydrophobicContact CD1-CG 4.22Å; I121-F166 HydrophobicContact CG1-CD1 4.44Å; I121-F166 HydrophobicContact CG2-CB 4.11Å; I121-F166 HydrophobicContact CG2-CD1 4.45Å; I121-F166 HydrophobicContact CG2-CG 4.47Å
122G93.8Very high96.1Very high0 Ų027.6 Ų27.60%015%0.145CC..  trans62.624.6176.500000114.7Y33 R35 K118 L124 R163Y33-G122 WeakPolarHBondContact O-CA 3.49Å; R35-G122 WeakPolarHBondContact CD-O 3.42Å; R35-G122 VanDerWaalsContact CG-O 3.25Å; R35-G122 WeakPolarHBondContact CG-O 3.47Å; K118-G122 PolarHBondContact O-N 3.47Å; K118-G122 VanDerWaalsContact O-N 3.12Å; G122-L124 PolarHBondContact O-N 3.03Å; G122-R163 CarbonylContact C-O 3.55Å; G122-R163 WeakPolarHBondContact CA-O 3.32Å
123R96.7Very high96.1Very high58 Ų5833.2 Ų33.222%0.21917%0.169CC..PPolyproline II helixtrans-58.8129.4-178.7-173.1-177.2-179.11714.9110.1I121 R163 S165 F166 H223 S225 D226I121-R123 HydrophobicContact CG2-CB 4.09Å; I121-R123 PolarHBondContact O-N 2.95Å; R123-R163 PolarHBondContact N-O 2.75Å; R123-R163 CarbonylContact O-C 3.43Å; R123-S165 WeakPolarHBondContact O-CB 3.34Å; R123-S165 PolarHBondContact O-N 3.41Å; R123-F166 HydrophobicContact CB-CB 3.65Å; R123-F166 HydrophobicContact CG-CB 4.38Å; R123-H223 PolarHBondContact NE-ND1 2.85Å; R123-H223 PolarHBondContact NH2-CD2 2.98Å; R123-S225 PolarHBondContact NH1-OG 2.97Å; R123-D226 WeakPolarHBondContact CD-OD1 3.39Å; R123-D226 IonicContact CZ-OD1 2.68Å; R123-D226 IonicContact NE-OD1 2.72Å; R123-D226 IonicContact NH1-OD1 3.67Å; R123-D226 PolarHBondContact NH1-OD1 3.32Å; R123-D226 IonicContact NH1-OD2 3.18Å
124L97.6Very high96Very high6 Ų629.8 Ų29.83%0.03115%0.151CC..PPolyproline II helixtrans-68.8140.6177.7-54.9-178000110.4R35 F37 I44 G122 F128 G162 R163 S165 H223R35-L124 HydrophobicContact CG-CD1 4.5Å; R35-L124 HydrophobicContact CG-CD2 4.06Å; R35-L124 HydrophobicContact CG-CG 3.94Å; F37-L124 HydrophobicContact CB-CD1 3.87Å; F37-L124 HydrophobicContact CD1-CD1 4.27Å; F37-L124 HydrophobicContact CG-CD1 4.44Å; I44-L124 HydrophobicContact CD1-CD1 4.05Å; I44-L124 HydrophobicContact CG2-CB 3.91Å; G122-L124 PolarHBondContact O-N 3.03Å; L124-F128 HydrophobicContact CB-CB 4.04Å; L124-F128 HydrophobicContact CB-CD1 4.32Å; L124-F128 HydrophobicContact CB-CG 4.05Å; L124-F128 HydrophobicContact CD1-CD1 3.72Å; L124-F128 HydrophobicContact CD1-CE1 3.92Å; L124-F128 HydrophobicContact CD1-CG 4.28Å; L124-F128 HydrophobicContact CD2-CD1 4.01Å; L124-F128 HydrophobicContact CD2-CD2 3.88Å; L124-F128 HydrophobicContact CD2-CE1 3.95Å; L124-F128 HydrophobicContact CD2-CE2 3.83Å; L124-F128 HydrophobicContact CD2-CG 3.96Å; L124-F128 HydrophobicContact CD2-CZ 3.86Å; L124-F128 HydrophobicContact CG-CD1 4.22Å; L124-F128 HydrophobicContact CG-CE1 4.48Å; L124-F128 HydrophobicContact CG-CG 4.3Å; L124-G162 CarbonylContact C-O 2.88Å; L124-G162 WeakPolarHBondContact CA-O 3.4Å; L124-R163 HydrophobicContact CD2-CG 3.91Å; L124-S165 WeakPolarHBondContact O-CB 3.12Å; L124-H223 PolarHBondContact O-CE1 3.36Å; L124-H223 VanDerWaalsContact O-CE1 3.24Å
125R98Very high95.9Very high31 Ų3132.7 Ų32.712%0.11717%0.167CC..PPolyproline II helixtrans-78.5160.6176.2-71.1-171.9175.2177.44.1111.4H127 F128 E161 G162 L164 K221R125-H127 VanDerWaalsContact CD-CE1 3.44Å; R125-H127 WeakPolarHBondContact CD-CE1 3.33Å; R125-H127 PolarHBondContact O-N 3.37Å; R125-H127 VanDerWaalsContact O-N 3.09Å; R125-F128 WeakPolarHBondContact O-CB 3.27Å; R125-F128 PolarHBondContact O-N 3.44Å; R125-E161 WeakPolarHBondContact CD-O 3.24Å; R125-E161 VanDerWaalsContact CZ-O 3.25Å; R125-E161 PolarHBondContact NE-O 3.2Å; R125-E161 VanDerWaalsContact NE-O 3.1Å; R125-G162 WeakPolarHBondContact CG-O 3.28Å; R125-G162 PolarHBondContact N-O 3.4Å; R125-L164 PolarHBondContact NE-O 3.45Å; R125-L164 PolarHBondContact NH2-O 3.45Å; R125-K221 WeakPolarHBondContact CD-O 3.28Å; R125-K221 VanDerWaalsContact CG-O 3.26Å; R125-K221 WeakPolarHBondContact CG-O 3.4Å; R125-K221 PolarHBondContact NE-O 2.93Å
126P98.3Very high95.7Very high8 Ų838.4 Ų38.45%0.05219%0.188CC..THydrogen-bonded Turntrans-58.8-25.3178.9-26.833.9000115.8S43 I44 K45 Y46 Y220S43-P126 WeakPolarHBondContact O-CA 3.23Å; S43-P126 WeakPolarHBondContact O-CB 3.29Å; I44-P126 CarbonylContact C-O 3.58Å; I44-P126 WeakPolarHBondContact CA-O 3.29Å; K45-P126 PolarHBondContact N-O 2.92Å; Y46-P126 WeakPolarHBondContact CB-O 3.3Å; Y46-P126 HydrophobicContact CD2-CB 4.03Å; Y46-P126 HydrophobicContact CG-CB 4.38Å; Y46-P126 PolarHBondContact N-O 2.94Å; P126-Y220 WeakPolarHBondContact CD-O 3.43Å
127H97.6Very high95.5Very high3 Ų344.3 Ų44.31%0.01421%0.211CC..THydrogen-bonded Turntrans-98.216.2176.862-91.3000114.6Y46 F48 R125 L129 D130 V131 Y220Y46-H127 WeakPolarHBondContact O-CA 3.46Å; Y46-H127 WeakPolarHBondContact O-CB 3.11Å; F48-H127 HydrophobicContact CB-CB 4.49Å; F48-H127 AromaticContact CD2-CD2 3.6Å; F48-H127 AromaticContact CD2-NE2 3.88Å; R125-H127 VanDerWaalsContact CD-CE1 3.44Å; R125-H127 WeakPolarHBondContact CD-CE1 3.33Å; R125-H127 PolarHBondContact O-N 3.37Å; R125-H127 VanDerWaalsContact O-N 3.09Å; H127-L129 PolarHBondContact O-N 3.4Å; H127-D130 PolarHBondContact O-N 3.46Å; H127-V131 PolarHBondContact O-N 2.92Å; H127-Y220 PolarHBondContact ND1-O 2.9Å
128F97.8Very high95.2Very high0 Ų050.2 Ų50.20%024%0.239CC..Hα-helixtrans-60.8-43-170.3176.6-102.2000113.3I44 L124 R125 D130 V131 C132 F150 V159 R163I44-F128 HydrophobicContact CB-CB 4.41Å; L124-F128 HydrophobicContact CB-CB 4.04Å; L124-F128 HydrophobicContact CB-CD1 4.32Å; L124-F128 HydrophobicContact CB-CG 4.05Å; L124-F128 HydrophobicContact CD1-CD1 3.72Å; L124-F128 HydrophobicContact CD1-CE1 3.92Å; L124-F128 HydrophobicContact CD1-CG 4.28Å; L124-F128 HydrophobicContact CD2-CD1 4.01Å; L124-F128 HydrophobicContact CD2-CD2 3.88Å; L124-F128 HydrophobicContact CD2-CE1 3.95Å; L124-F128 HydrophobicContact CD2-CE2 3.83Å; L124-F128 HydrophobicContact CD2-CG 3.96Å; L124-F128 HydrophobicContact CD2-CZ 3.86Å; L124-F128 HydrophobicContact CG-CD1 4.22Å; L124-F128 HydrophobicContact CG-CE1 4.48Å; L124-F128 HydrophobicContact CG-CG 4.3Å; R125-F128 WeakPolarHBondContact O-CB 3.27Å; R125-F128 PolarHBondContact O-N 3.44Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 2.95Å; F128-V131 VanDerWaalsContact O-CG2 3.26Å; F128-V131 WeakPolarHBondContact O-CG2 3.33Å; F128-V131 PolarHBondContact O-N 3.45Å; F128-C132 HydrophobicContact CD1-CB 4.39Å; F128-C132 HydrophobicContact CE1-CB 3.99Å; F128-C132 HydrophobicContact CE2-CB 4.3Å; F128-C132 HydrophobicContact CZ-CB 3.94Å; F128-C132 WeakPolarHBondContact O-CB 3.39Å; F128-C132 PolarHBondContact O-N 2.92Å; F128-F150 AromaticContact CE1-CE2 3.82Å; F128-F150 HydrophobicContact CE1-CE2 3.82Å; F128-F150 AromaticContact CE1-CZ 3.84Å; F128-F150 HydrophobicContact CE1-CZ 3.84Å; F128-F150 AromaticContact CZ-CE2 3.79Å; F128-F150 HydrophobicContact CZ-CE2 3.79Å; F128-F150 AromaticContact CZ-CZ 3.87Å; F128-F150 HydrophobicContact CZ-CZ 3.87Å; F128-V159 HydrophobicContact CE2-CG1 4.21Å; F128-R163 HydrophobicContact CD2-CG 4.4Å; F128-R163 HydrophobicContact CE2-CG 3.74Å; F128-R163 HydrophobicContact CZ-CG 4.46Å
129L96.9Very high95Very high17 Ų1750 Ų509%0.08924%0.239CC..Hα-helixtrans-68.6-32.6-176.9-67.1176.6000112.6F37 I44 K45 H127 K133 P134 W136F37-L129 HydrophobicContact CD2-CD2 4.3Å; F37-L129 HydrophobicContact CE1-CD2 4.14Å; F37-L129 HydrophobicContact CE2-CD2 3.86Å; F37-L129 HydrophobicContact CZ-CD2 3.77Å; I44-L129 HydrophobicContact CD1-CD1 3.87Å; I44-L129 HydrophobicContact CD1-CD2 4.16Å; I44-L129 HydrophobicContact CD1-CG 3.85Å; I44-L129 HydrophobicContact CG1-CD1 3.78Å; I44-L129 HydrophobicContact CG1-CG 3.98Å; I44-L129 WeakPolarHBondContact O-CB 3.24Å; I44-L129 WeakPolarHBondContact O-CG 3.34Å; I44-L129 PolarHBondContact O-N 3.09Å; I44-L129 VanDerWaalsContact O-N 3.12Å; K45-L129 HydrophobicContact CG-CD1 3.59Å; H127-L129 PolarHBondContact O-N 3.4Å; L129-K133 PolarHBondContact O-N 3Å; L129-P134 HydrophobicContact CD2-CG 4.16Å; L129-W136 HydrophobicContact CD1-CH2 4.24Å; L129-W136 HydrophobicContact CD2-CH2 4.22Å; L129-W136 HydrophobicContact CD2-CZ2 4.48Å
130D97.3Very high94.9Very high72 Ų7253.1 Ų53.139%0.38526%0.258SS..Hα-helixtrans-65.3-40.7176.3-173.544.4000112F48 H127 F128 K133F48-D130 VanDerWaalsContact CB-OD2 3.24Å; F48-D130 WeakPolarHBondContact CB-OD2 3.29Å; F48-D130 PolarHBondContact N-OD2 2.86Å; H127-D130 PolarHBondContact O-N 3.46Å; F128-D130 VanDerWaalsContact C-N 3.32Å; F128-D130 PolarHBondContact O-N 2.95Å; D130-K133 WeakPolarHBondContact O-CE 3.43Å; D130-K133 VanDerWaalsContact O-CG 3.29Å; D130-K133 WeakPolarHBondContact O-CG 3.44Å
131V97.1Very high94.7Very high6 Ų652.3 Ų52.34%0.03625%0.252CS..Hα-helixtrans-82.1-31.1177.2-61.70000113.6F48 H127 F128 G154 M158 V159F48-V131 HydrophobicContact CB-CG1 4.17Å; F48-V131 HydrophobicContact CD2-CG1 3.63Å; F48-V131 HydrophobicContact CE2-CG1 4.37Å; F48-V131 HydrophobicContact CG-CG1 4.18Å; H127-V131 PolarHBondContact O-N 2.92Å; F128-V131 VanDerWaalsContact O-CG2 3.26Å; F128-V131 WeakPolarHBondContact O-CG2 3.33Å; F128-V131 PolarHBondContact O-N 3.45Å; V131-G154 WeakPolarHBondContact O-CA 3.45Å; V131-M158 HydrophobicContact CB-CB 4.16Å; V131-M158 HydrophobicContact CG1-CB 4.29Å; V131-V159 WeakPolarHBondContact O-CG2 3.38Å
132C96.4Very high94.5Very high0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-72.4-41.8178.81730000112F128 C152 T153 G154 V159F128-C132 HydrophobicContact CD1-CB 4.39Å; F128-C132 HydrophobicContact CE1-CB 3.99Å; F128-C132 HydrophobicContact CE2-CB 4.3Å; F128-C132 HydrophobicContact CZ-CB 3.94Å; F128-C132 WeakPolarHBondContact O-CB 3.39Å; F128-C132 PolarHBondContact O-N 2.92Å; C132-C152 HydrophobicContact CB-CB 3.99Å; C132-C152 WeakPolarHBondContact CB-SG 3.34Å; C132-C152 CarbonylContact O-C 3.56Å; C132-C152 WeakPolarHBondContact O-CA 3.37Å; C132-C152 WeakPolarHBondContact O-CB 3.35Å; C132-C152 WeakPolarHBondContact SG-CB 3.39Å; C132-C152 CovalentContact SG-SG 2.05Å; C132-C152 PolarHBondContact SG-SG 3.17Å; C132-T153 PolarHBondContact O-N 2.6Å; C132-G154 PolarHBondContact O-N 3.42Å; C132-V159 HydrophobicContact CB-CG2 4.46Å
133K96.1Very high94.2Very high124 Ų12457.2 Ų57.254%0.53930%0.299SS..  trans47.963.6-173-58-174.3179.2-176.20111L129 D130 T153L129-K133 PolarHBondContact O-N 3Å; D130-K133 WeakPolarHBondContact O-CE 3.43Å; D130-K133 VanDerWaalsContact O-CG 3.29Å; D130-K133 WeakPolarHBondContact O-CG 3.44Å; K133-T153 VanDerWaalsContact CB-OG1 3.32Å; K133-T153 WeakPolarHBondContact CB-OG1 3.27Å; K133-T153 PolarHBondContact O-N 3.35Å; K133-T153 PolarHBondContact O-OG1 2.78Å
134P95.1Very high93.7Very high7 Ų757.6 Ų57.65%0.04532%0.321CS..BIsolated β-bridgetrans-64.9147.5-179.429.3-34.8000110.7L129 W136 I139 N151L129-P134 HydrophobicContact CD2-CG 4.16Å; P134-W136 HydrophobicContact CG-CD2 4.22Å; P134-W136 HydrophobicContact CG-CH2 3.93Å; P134-W136 HydrophobicContact CG-CZ2 3.53Å; P134-W136 HydrophobicContact CG-CZ3 4.42Å; P134-W136 PolarHBondContact O-N 3.34Å; P134-I139 HydrophobicContact CB-CD1 3.68Å; P134-I139 HydrophobicContact CG-CD1 4.5Å; P134-N151 WeakPolarHBondContact CA-O 3.18Å
135D92.4Very high93.5Very high62 Ų6260.1 Ų60.133%0.33234%0.337SS..  trans-76.695.3172.5-170.6-9.8000110.1K137 L138D135-K137 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact O-N 3.1Å; D135-K137 WeakPolarHBondContact OD1-CB 3.5Å; D135-K137 PolarHBondContact OD1-N 3.4Å; D135-L138 HydrophobicContact CB-CD1 4.15Å; D135-L138 HydrophobicContact CB-CG 4.31Å; D135-L138 PolarHBondContact O-N 3.49Å
136W90.4Very high93.3Very high123 Ų12362.6 Ų62.647%0.46635%0.347SS..G310 helixtrans-60.5-18.4-179.4-61.2109.3000113.8F37 L129 P134 L138 I139F37-W136 HydrophobicContact CE2-CH2 4.2Å; F37-W136 HydrophobicContact CE2-CZ3 4.26Å; L129-W136 HydrophobicContact CD1-CH2 4.24Å; L129-W136 HydrophobicContact CD2-CH2 4.22Å; L129-W136 HydrophobicContact CD2-CZ2 4.48Å; P134-W136 HydrophobicContact CG-CD2 4.22Å; P134-W136 HydrophobicContact CG-CH2 3.93Å; P134-W136 HydrophobicContact CG-CZ2 3.53Å; P134-W136 HydrophobicContact CG-CZ3 4.42Å; P134-W136 PolarHBondContact O-N 3.34Å; W136-L138 VanDerWaalsContact C-N 3.27Å; W136-L138 PolarHBondContact O-N 2.96Å; W136-I139 HydrophobicContact CE3-CD1 4.39Å
137K89.7Confident93.1Very high194 Ų19463 Ų6384%0.84335%0.348SS*.G310 helixtrans-71.8-25.2176-60.9-179.8179.1179.30112.5D135D135-K137 PolarHBondContact O-N 2.96Å; D135-K137 VanDerWaalsContact O-N 3.1Å; D135-K137 WeakPolarHBondContact OD1-CB 3.5Å; D135-K137 PolarHBondContact OD1-N 3.4Å
138L89.1Confident92.8Very high139 Ų13969.1 Ų69.173%0.72838%0.377SS*.G310 helixtrans-96.8-1.7-178.5-58.7178.3000112.6D135 W136D135-L138 HydrophobicContact CB-CD1 4.15Å; D135-L138 HydrophobicContact CB-CG 4.31Å; D135-L138 PolarHBondContact O-N 3.49Å; W136-L138 VanDerWaalsContact C-N 3.27Å; W136-L138 PolarHBondContact O-N 2.96Å
139I91.8Very high92.4Very high18 Ų1876.4 Ų76.49%0.09242%0.416CS..  trans-111.1125.1-175.5-62.7174.3000109.9P134 W136 C141 I147 F150P134-I139 HydrophobicContact CB-CD1 3.68Å; P134-I139 HydrophobicContact CG-CD1 4.5Å; W136-I139 HydrophobicContact CE3-CD1 4.39Å; I139-C141 PolarHBondContact O-N 3.42Å; I139-I147 HydrophobicContact CG2-CB 4.48Å; I139-I147 HydrophobicContact CG2-CD1 3.94Å; I139-I147 HydrophobicContact CG2-CG1 3.82Å; I139-I147 HydrophobicContact CG2-CG2 3.95Å; I139-F150 HydrophobicContact CD1-CB 3.89Å; I139-F150 HydrophobicContact CG1-CB 4.36Å
140N90.9Very high92.2Very high100 Ų10077.3 Ų77.354%0.53542%0.419SS..  trans-83.494.7173.1-176.7-0.3000111S142 I147N140-S142 PolarHBondContact O-N 3.46Å; N140-S142 VanDerWaalsContact O-N 3.09Å; N140-S142 WeakPolarHBondContact OD1-CB 3.36Å; N140-S142 PolarHBondContact OD1-N 3.37Å; N140-S142 VanDerWaalsContact OD1-N 3.16Å; N140-S142 PolarHBondContact OD1-OG 3.05Å; N140-I147 WeakPolarHBondContact O-CD1 3.38Å
141C90.4Very high92Very high62 Ų6279.7 Ų79.742%0.41943%0.432SS..  trans-82.438.4177.1-73.30000114.5C39 I139C39-C141 HydrophobicContact CB-CB 3.56Å; C39-C141 WeakPolarHBondContact CB-SG 3.48Å; C39-C141 WeakPolarHBondContact SG-CA 3.37Å; C39-C141 WeakPolarHBondContact SG-CB 3.25Å; C39-C141 CovalentContact SG-SG 2.04Å; C39-C141 PolarHBondContact SG-SG 3.35Å; I139-C141 PolarHBondContact O-N 3.42Å
142S91.3Very high91.8Very high62 Ų6280.6 Ų80.643%0.43444%0.438SS..  trans-61.4144171.2-67.70000111N140 G144 V145N140-S142 PolarHBondContact O-N 3.46Å; N140-S142 VanDerWaalsContact O-N 3.09Å; N140-S142 WeakPolarHBondContact OD1-CB 3.36Å; N140-S142 PolarHBondContact OD1-N 3.37Å; N140-S142 VanDerWaalsContact OD1-N 3.16Å; N140-S142 PolarHBondContact OD1-OG 3.05Å; S142-G144 PolarHBondContact O-N 2.87Å; S142-V145 WeakPolarHBondContact O-CB 3.5Å; S142-V145 PolarHBondContact O-N 3.42Å; S142-V145 VanDerWaalsContact O-N 3.1Å
143A87.8Confident91.8Very high109 Ų10985.4 Ų85.490%0.90147%0.468SS*.THydrogen-bonded Turntrans-56.8128-176.200000111.3V145A143-V145 VanDerWaalsContact C-N 3.33Å; A143-V145 PolarHBondContact O-N 2.85Å
144G86.4Confident91.7Very high67 Ų6780.6 Ų80.669%0.69145%0.453SS*.THydrogen-bonded Turntrans81.30.3179.200000115.8S142S142-G144 PolarHBondContact O-N 2.87Å
145V92.2Very high91.7Very high59 Ų5984.6 Ų84.636%0.35847%0.474SS..  trans-82.3128.2177.7-178.50000111F38 S142 A143 I147F38-V145 WeakPolarHBondContact CD1-O 3.18Å; S142-V145 WeakPolarHBondContact O-CB 3.5Å; S142-V145 PolarHBondContact O-N 3.42Å; S142-V145 VanDerWaalsContact O-N 3.1Å; A143-V145 VanDerWaalsContact C-N 3.33Å; A143-V145 PolarHBondContact O-N 2.85Å; V145-I147 HydrophobicContact CG1-CD1 3.82Å
146Y93.9Very high91.7Very high83 Ų8386.9 Ų86.933%0.32549%0.486SS..EExtended strand (participates in β ladder)trans-89126.7173.7-173.5-115.4000110.7G36 F38 E148G36-Y146 VanDerWaalsContact C-CE2 3.42Å; G36-Y146 VanDerWaalsContact C-CZ 3.48Å; G36-Y146 WeakPolarHBondContact CA-OH 3.36Å; G36-Y146 PolarHBondContact N-OH 3.28Å; G36-Y146 VanDerWaalsContact N-OH 3.09Å; G36-Y146 PolarHBondContact O-OH 3.38Å; F38-Y146 HydrophobicContact CD1-CD2 4.23Å; F38-Y146 AromaticContact CD2-CD2 3.83Å; F38-Y146 HydrophobicContact CD2-CD2 3.83Å; F38-Y146 HydrophobicContact CD2-CE2 4.36Å; F38-Y146 AromaticContact CE1-CD2 3.95Å; F38-Y146 HydrophobicContact CE1-CD2 3.95Å; F38-Y146 HydrophobicContact CE1-CG 4.24Å; F38-Y146 AromaticContact CE2-CD2 3.51Å; F38-Y146 HydrophobicContact CE2-CD2 3.51Å; F38-Y146 HydrophobicContact CE2-CE2 4.06Å; F38-Y146 HydrophobicContact CE2-CG 4.44Å; F38-Y146 HydrophobicContact CG-CD2 4.18Å; F38-Y146 AromaticContact CZ-CD2 3.57Å; F38-Y146 HydrophobicContact CZ-CD2 3.57Å; F38-Y146 HydrophobicContact CZ-CE2 4.49Å; F38-Y146 HydrophobicContact CZ-CG 4.07Å; Y146-E148 HydrophobicContact CD1-CG 3.56Å; Y146-E148 HydrophobicContact CE1-CG 3.43Å; Y146-E148 VanDerWaalsContact CE1-CG 3.43Å; Y146-E148 WeakPolarHBondContact CE1-OE1 3.46Å
147I94.1Very high91.9Very high16 Ų1687.8 Ų87.88%0.08249%0.493CS..EExtended strand (participates in β ladder)trans-103105.5-174.7-51.1-59.5000109.9G36 F37 I139 N140 V145 F150G36-I147 CarbonylContact C-O 3.51Å; G36-I147 WeakPolarHBondContact CA-O 3.31Å; F37-I147 PolarHBondContact N-O 3.03Å; F37-I147 VanDerWaalsContact N-O 3.08Å; F37-I147 PolarHBondContact O-N 3.09Å; I139-I147 HydrophobicContact CG2-CB 4.48Å; I139-I147 HydrophobicContact CG2-CD1 3.94Å; I139-I147 HydrophobicContact CG2-CG1 3.82Å; I139-I147 HydrophobicContact CG2-CG2 3.95Å; N140-I147 WeakPolarHBondContact O-CD1 3.38Å; V145-I147 HydrophobicContact CG1-CD1 3.82Å; I147-F150 HydrophobicContact CG2-CB 4.23Å; I147-F150 HydrophobicContact CG2-CD1 4.24Å
148E91.7Very high92.1Very high131 Ų13182 Ų8261%0.61247%0.47SS*.  trans-91.3-41.1175-66.2-176-173.600112.3Y146 F150Y146-E148 HydrophobicContact CD1-CG 3.56Å; Y146-E148 HydrophobicContact CE1-CG 3.43Å; Y146-E148 VanDerWaalsContact CE1-CG 3.43Å; Y146-E148 WeakPolarHBondContact CE1-OE1 3.46Å; E148-F150 WeakPolarHBondContact O-CD1 3.5Å
149N89.9Confident92.4Very high153 Ų15375.7 Ų75.782%0.81844%0.437SS*.  trans-97.8106.2-175.9-65.1-49000110.4
150F92.4Very high92.5Very high37 Ų3776.7 Ų76.716%0.16244%0.443CS..  trans-148.3153.9175.161.3-85.6000110.5F37 F128 I139 I147 E148F37-F150 HydrophobicContact CD1-CD1 4.24Å; F37-F150 AromaticContact CD1-CE1 3.75Å; F37-F150 HydrophobicContact CD1-CE1 3.75Å; F37-F150 AromaticContact CD1-CZ 3.88Å; F37-F150 HydrophobicContact CD1-CZ 3.88Å; F37-F150 AromaticContact CE1-CD1 3.72Å; F37-F150 HydrophobicContact CE1-CD1 3.72Å; F37-F150 HydrophobicContact CE1-CD2 4.01Å; F37-F150 AromaticContact CE1-CE1 3.61Å; F37-F150 HydrophobicContact CE1-CE1 3.61Å; F37-F150 AromaticContact CE1-CE2 3.89Å; F37-F150 HydrophobicContact CE1-CE2 3.89Å; F37-F150 AromaticContact CE1-CG 3.91Å; F37-F150 HydrophobicContact CE1-CG 3.91Å; F37-F150 AromaticContact CE1-CZ 3.68Å; F37-F150 HydrophobicContact CE1-CZ 3.68Å; F128-F150 AromaticContact CE1-CE2 3.82Å; F128-F150 HydrophobicContact CE1-CE2 3.82Å; F128-F150 AromaticContact CE1-CZ 3.84Å; F128-F150 HydrophobicContact CE1-CZ 3.84Å; F128-F150 AromaticContact CZ-CE2 3.79Å; F128-F150 HydrophobicContact CZ-CE2 3.79Å; F128-F150 AromaticContact CZ-CZ 3.87Å; F128-F150 HydrophobicContact CZ-CZ 3.87Å; I139-F150 HydrophobicContact CD1-CB 3.89Å; I139-F150 HydrophobicContact CG1-CB 4.36Å; I147-F150 HydrophobicContact CG2-CB 4.23Å; I147-F150 HydrophobicContact CG2-CD1 4.24Å; E148-F150 WeakPolarHBondContact O-CD1 3.5Å
151N92.1Very high92.7Very high121 Ų12175.7 Ų75.765%0.64744%0.435SS*.  trans-109.7135.6175.9-160.221.6000110.7P134P134-N151 WeakPolarHBondContact CA-O 3.18Å
152C94.1Very high92.9Very high26 Ų2672.8 Ų72.818%0.17642%0.415CS..BIsolated β-bridgetrans-96.6132176.1-64.40000109.5C132 V159C132-C152 HydrophobicContact CB-CB 3.99Å; C132-C152 WeakPolarHBondContact CB-SG 3.34Å; C132-C152 CarbonylContact O-C 3.56Å; C132-C152 WeakPolarHBondContact O-CA 3.37Å; C132-C152 WeakPolarHBondContact O-CB 3.35Å; C132-C152 WeakPolarHBondContact SG-CB 3.39Å; C132-C152 CovalentContact SG-SG 2.05Å; C132-C152 PolarHBondContact SG-SG 3.17Å; C152-V159 HydrophobicContact CB-CG1 4.07Å; C152-V159 HydrophobicContact CB-CG2 3.97Å
153T95.5Very high93.2Very high101 Ų10170.3 Ų70.362%0.6240%0.396SS*.  trans-94.7-9.8175.762.80000113.1C132 K133C132-T153 PolarHBondContact O-N 2.6Å; K133-T153 VanDerWaalsContact CB-OG1 3.32Å; K133-T153 WeakPolarHBondContact CB-OG1 3.27Å; K133-T153 PolarHBondContact O-N 3.35Å; K133-T153 PolarHBondContact O-OG1 2.78Å
154G94.8Very high93.5Very high23 Ų2366 Ų6624%0.23736%0.358CS..SBendtrans-74.6-177.217800000114.8V131 C132 L156V131-G154 WeakPolarHBondContact O-CA 3.45Å; C132-G154 PolarHBondContact O-N 3.42Å; G154-L156 PolarHBondContact O-N 2.86Å
155N95.3Very high94Very high91 Ų9162.8 Ų62.849%0.48733%0.325SS..  trans-65.1119.7-178.5-177.7-71000111.4K157 M158 V159N155-K157 PolarHBondContact O-N 2.97Å; N155-K157 VanDerWaalsContact O-N 3.11Å; N155-K157 VanDerWaalsContact OD1-CB 3.29Å; N155-K157 WeakPolarHBondContact OD1-CB 3.43Å; N155-K157 PolarHBondContact OD1-N 2.85Å; N155-M158 HydrophobicContact CB-CB 4.32Å; N155-M158 HydrophobicContact CB-CE 3.66Å; N155-M158 HydrophobicContact CB-CG 4.16Å; N155-M158 PolarHBondContact O-N 3.22Å; N155-M158 PolarHBondContact OD1-N 3.11Å; N155-V159 WeakPolarHBondContact O-CG2 3.48Å; N155-V159 PolarHBondContact O-N 3.11Å
156L93.1Very high94.2Very high110 Ų11062.3 Ų62.358%0.57632%0.318SS*.Hα-helixtrans-53.9-36.3-175.4-176.563.3000114.1G154 V159 N160G154-L156 PolarHBondContact O-N 2.86Å; L156-V159 PolarHBondContact O-N 3.4Å; L156-N160 WeakPolarHBondContact O-CB 3.47Å; L156-N160 VanDerWaalsContact O-CG 3.32Å; L156-N160 PolarHBondContact O-N 2.98Å; L156-N160 PolarHBondContact O-ND2 3.28Å
157K92.7Very high94.3Very high141 Ų14159 Ų5961%0.61331%0.305SS*.Hα-helixtrans-66.8-47.6178.3-173.8-176.9175.1-175.40110.8N155 V159 N160 E161N155-K157 PolarHBondContact O-N 2.97Å; N155-K157 VanDerWaalsContact O-N 3.11Å; N155-K157 VanDerWaalsContact OD1-CB 3.29Å; N155-K157 WeakPolarHBondContact OD1-CB 3.43Å; N155-K157 PolarHBondContact OD1-N 2.85Å; K157-V159 VanDerWaalsContact C-N 3.3Å; K157-V159 PolarHBondContact O-N 3.13Å; K157-N160 PolarHBondContact O-N 2.83Å; K157-E161 VanDerWaalsContact CE-OE1 3.29Å; K157-E161 WeakPolarHBondContact CE-OE1 3.4Å; K157-E161 WeakPolarHBondContact O-CG 3.44Å; K157-E161 PolarHBondContact O-N 3.02Å
158M94.4Very high94.4Very high73 Ų7358.3 Ų58.336%0.3630%0.302SS..Hα-helixtrans-64.9-35.6177.6-61.8-161.1-63.900112F48 V131 N155 E161 G162F48-M158 HydrophobicContact CZ-SD 4.49Å; V131-M158 HydrophobicContact CB-CB 4.16Å; V131-M158 HydrophobicContact CG1-CB 4.29Å; N155-M158 HydrophobicContact CB-CB 4.32Å; N155-M158 HydrophobicContact CB-CE 3.66Å; N155-M158 HydrophobicContact CB-CG 4.16Å; N155-M158 PolarHBondContact O-N 3.22Å; N155-M158 PolarHBondContact OD1-N 3.11Å; M158-E161 PolarHBondContact O-N 2.86Å; M158-G162 PolarHBondContact O-N 3.49Å
159V95.8Very high94.7Very high6 Ų652.1 Ų52.14%0.03627%0.273CS..Hα-helixtrans-64.2-46.9175174.20000111.4F128 V131 C132 C152 N155 L156 K157 E161 G162 R163F128-V159 HydrophobicContact CE2-CG1 4.21Å; V131-V159 WeakPolarHBondContact O-CG2 3.38Å; C132-V159 HydrophobicContact CB-CG2 4.46Å; C152-V159 HydrophobicContact CB-CG1 4.07Å; C152-V159 HydrophobicContact CB-CG2 3.97Å; N155-V159 WeakPolarHBondContact O-CG2 3.48Å; N155-V159 PolarHBondContact O-N 3.11Å; L156-V159 PolarHBondContact O-N 3.4Å; K157-V159 VanDerWaalsContact C-N 3.3Å; K157-V159 PolarHBondContact O-N 3.13Å; V159-E161 VanDerWaalsContact C-N 3.35Å; V159-G162 WeakPolarHBondContact O-CA 3.5Å; V159-G162 PolarHBondContact O-N 3.44Å; V159-G162 VanDerWaalsContact O-N 3.16Å; V159-R163 PolarHBondContact O-N 3.11Å
160N94.4Very high95.1Very high39 Ų3945.9 Ų45.921%0.20924%0.239CC..Hα-helixtrans-62.5-43.1176.4-73.7-21.3000111.2L156 K157 G162 R163L156-N160 WeakPolarHBondContact O-CB 3.47Å; L156-N160 VanDerWaalsContact O-CG 3.32Å; L156-N160 PolarHBondContact O-N 2.98Å; L156-N160 PolarHBondContact O-ND2 3.28Å; K157-N160 PolarHBondContact O-N 2.83Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 2.87Å; N160-R163 PolarHBondContact O-N 2.84Å; N160-R163 VanDerWaalsContact O-N 3.1Å
161E93.8Very high95.4Very high80 Ų8044.1 Ų44.137%0.37423%0.231SC..Hα-helixtrans-62-35.5173.7-73.2-179.5-163.700112.5R125 K157 M158 V159 R163 L164R125-E161 WeakPolarHBondContact CD-O 3.24Å; R125-E161 VanDerWaalsContact CZ-O 3.25Å; R125-E161 PolarHBondContact NE-O 3.2Å; R125-E161 VanDerWaalsContact NE-O 3.1Å; K157-E161 VanDerWaalsContact CE-OE1 3.29Å; K157-E161 WeakPolarHBondContact CE-OE1 3.4Å; K157-E161 WeakPolarHBondContact O-CG 3.44Å; K157-E161 PolarHBondContact O-N 3.02Å; M158-E161 PolarHBondContact O-N 2.86Å; V159-E161 VanDerWaalsContact C-N 3.35Å; E161-R163 PolarHBondContact O-N 3.4Å; E161-L164 PolarHBondContact O-N 2.96Å; E161-L164 VanDerWaalsContact O-N 3.08Å
162G96.1Very high95.7Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-62.1-16.5174.400000114.2L124 R125 M158 V159 N160L124-G162 CarbonylContact C-O 2.88Å; L124-G162 WeakPolarHBondContact CA-O 3.4Å; R125-G162 WeakPolarHBondContact CG-O 3.28Å; R125-G162 PolarHBondContact N-O 3.4Å; M158-G162 PolarHBondContact O-N 3.49Å; V159-G162 WeakPolarHBondContact O-CA 3.5Å; V159-G162 PolarHBondContact O-N 3.44Å; V159-G162 VanDerWaalsContact O-N 3.16Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 2.87Å
163R96.3Very high95.9Very high10 Ų1037.5 Ų37.54%0.03819%0.194CC..THydrogen-bonded Turntrans-95.3-1.3176-62.3176.7178.7-81.95.9113.5P32 R35 G122 R123 L124 F128 V159 N160 E161P32-R163 HydrophobicContact CB-CB 4.14Å; P32-R163 HydrophobicContact CG-CB 3.79Å; R35-R163 PolarHBondContact O-NH1 3.32Å; G122-R163 CarbonylContact C-O 3.55Å; G122-R163 WeakPolarHBondContact CA-O 3.32Å; R123-R163 PolarHBondContact N-O 2.75Å; R123-R163 CarbonylContact O-C 3.43Å; L124-R163 HydrophobicContact CD2-CG 3.91Å; F128-R163 HydrophobicContact CD2-CG 4.4Å; F128-R163 HydrophobicContact CE2-CG 3.74Å; F128-R163 HydrophobicContact CZ-CG 4.46Å; V159-R163 PolarHBondContact O-N 3.11Å; N160-R163 PolarHBondContact O-N 2.84Å; N160-R163 VanDerWaalsContact O-N 3.1Å; E161-R163 PolarHBondContact O-N 3.4Å
164L95.6Very high96Very high19 Ų1933 Ų3310%0.09917%0.166CC..  trans-106.755.5-175.6-61.6171.7000110.8P32 K118 Y119 R125 E161P32-L164 HydrophobicContact CB-CD2 3.72Å; P32-L164 HydrophobicContact CB-CG 4.38Å; P32-L164 HydrophobicContact CG-CD2 4.35Å; K118-L164 HydrophobicContact CB-CB 4.35Å; K118-L164 HydrophobicContact CB-CD2 3.8Å; K118-L164 HydrophobicContact CD-CB 4.4Å; Y119-L164 HydrophobicContact CD1-CD2 4.1Å; Y119-L164 HydrophobicContact CD2-CD2 3.95Å; Y119-L164 HydrophobicContact CE1-CD2 4.07Å; Y119-L164 HydrophobicContact CE2-CD1 4.29Å; Y119-L164 HydrophobicContact CE2-CD2 3.94Å; Y119-L164 HydrophobicContact CG-CD2 4.05Å; R125-L164 PolarHBondContact NE-O 3.45Å; R125-L164 PolarHBondContact NH2-O 3.45Å; E161-L164 PolarHBondContact O-N 2.96Å; E161-L164 VanDerWaalsContact O-N 3.08Å
165S96.6Very high96.2Very high0 Ų032.6 Ų32.60%016%0.158CC..  trans-85.2-47.1-179.5-157.60000113.5R123 L124 Y167 H222 D226R123-S165 WeakPolarHBondContact O-CB 3.34Å; R123-S165 PolarHBondContact O-N 3.41Å; L124-S165 WeakPolarHBondContact O-CB 3.12Å; S165-Y167 CarbonylContact O-C 3.22Å; S165-H222 PolarHBondContact O-CE1 2.74Å; S165-H222 PolarHBondContact O-ND1 2.85Å; S165-D226 WeakPolarHBondContact CB-OD2 3.1Å; S165-D226 PolarHBondContact OG-OD2 2.85Å
166F95.9Very high96.4Very high49 Ų4928.3 Ų28.322%0.21514%0.135CC..SBendtrans-94.5127.8-170.6-173.9-84.6000112.5A117 K118 I121 R123 D226 T229A117-F166 CarbonylContact C-O 3.43Å; K118-F166 WeakPolarHBondContact CA-O 3.29Å; K118-F166 VanDerWaalsContact CG-O 3.28Å; K118-F166 WeakPolarHBondContact CG-O 3.3Å; K118-F166 PolarHBondContact N-O 2.88Å; I121-F166 HydrophobicContact CD1-CD1 3.24Å; I121-F166 HydrophobicContact CD1-CE1 3.5Å; I121-F166 VanDerWaalsContact CD1-CE1 3.5Å; I121-F166 HydrophobicContact CD1-CG 4.22Å; I121-F166 HydrophobicContact CG1-CD1 4.44Å; I121-F166 HydrophobicContact CG2-CB 4.11Å; I121-F166 HydrophobicContact CG2-CD1 4.45Å; I121-F166 HydrophobicContact CG2-CG 4.47Å; R123-F166 HydrophobicContact CB-CB 3.65Å; R123-F166 HydrophobicContact CG-CB 4.38Å; F166-D226 WeakPolarHBondContact CD2-OD1 3.46Å; F166-T229 HydrophobicContact CE2-CG2 4.38Å; F166-T229 HydrophobicContact CZ-CG2 3.91Å
167Y95.3Very high96.6Very high14 Ų1423 Ų236%0.05511%0.108CC..SBendcis-94173-22.750.8-98.9000110L113 T114 A117 K118 S165 G169 D226 T229 Q233L113-Y167 WeakPolarHBondContact CG-OH 3.14Å; L113-Y167 PolarHBondContact O-OH 2.85Å; T114-Y167 WeakPolarHBondContact CA-OH 3.46Å; T114-Y167 HydrophobicContact CG2-CD2 4.33Å; T114-Y167 HydrophobicContact CG2-CE2 4.02Å; T114-Y167 PolarHBondContact N-OH 3.36Å; T114-Y167 WeakPolarHBondContact OG1-CE2 3.48Å; A117-Y167 HydrophobicContact CB-CD1 4.02Å; A117-Y167 HydrophobicContact CB-CE1 3.61Å; K118-Y167 WeakPolarHBondContact CE-O 3.14Å; S165-Y167 CarbonylContact O-C 3.22Å; Y167-G169 PolarHBondContact O-N 2.84Å; Y167-D226 WeakPolarHBondContact CB-O 3.49Å; Y167-T229 HydrophobicContact CD1-CG2 3.68Å; Y167-T229 HydrophobicContact CE1-CG2 4.43Å; Y167-T229 HydrophobicContact CG-CG2 3.87Å; Y167-Q233 HydrophobicContact CE2-CB 4.04Å; Y167-Q233 HydrophobicContact CE2-CG 4Å; Y167-Q233 WeakPolarHBondContact OH-CG 3.25Å; Y167-Q233 PolarHBondContact OH-OE1 2.57Å
168S97.7Very high96.9Very high0 Ų016.9 Ų16.90%08%0.081CC..PPolyproline II helixtrans-70.9119.3-171.6-172.50000112.4H170 S171 S172 H222 D226S168-H170 VanDerWaalsContact C-N 3.31Å; S168-H170 PolarHBondContact O-N 3.41Å; S168-S171 WeakPolarHBondContact CB-OG 3.42Å; S168-S171 PolarHBondContact O-N 3.06Å; S168-S171 PolarHBondContact OG-OG 3.47Å; S168-S172 PolarHBondContact O-N 3.3Å; S168-S172 PolarHBondContact O-OG 3.05Å; S168-H222 PolarHBondContact OG-CD2 2.89Å; S168-H222 PolarHBondContact OG-NE2 2.72Å; S168-H222 VanDerWaalsContact OG-NE2 3.15Å; S168-D226 PolarHBondContact N-O 3.32Å
169G96.7Very high97.1Very high1 Ų114.9 Ų14.91%0.017%0.072CC..Hα-helixtrans-70.1-25175.100000114.4Y167 S172 F173Y167-G169 PolarHBondContact O-N 2.84Å; G169-S172 WeakPolarHBondContact CA-OG 3.4Å; G169-S172 PolarHBondContact O-OG 3.21Å; G169-F173 WeakPolarHBondContact O-CB 3.19Å; G169-F173 PolarHBondContact O-N 3.44Å; G169-F173 VanDerWaalsContact O-N 3.09Å
170H97.9Very high97.2Very high23 Ų2314.6 Ų14.611%0.1067%0.07CC..Hα-helixtrans-70.4-40.7174.2-73.275.7000111L58 S168 S174 T212 R216L58-H170 HydrophobicContact CD2-CB 4.01Å; L58-H170 WeakPolarHBondContact CD2-CD2 3.42Å; S168-H170 VanDerWaalsContact C-N 3.31Å; S168-H170 PolarHBondContact O-N 3.41Å; H170-S174 WeakPolarHBondContact O-CB 3.48Å; H170-S174 PolarHBondContact O-N 3.17Å; H170-S174 VanDerWaalsContact O-N 3.07Å; H170-S174 PolarHBondContact O-OG 3.5Å; H170-T212 HydrophobicContact CB-CG2 4.11Å; H170-R216 HydrophobicContact CB-CG 3.94Å; H170-R216 PolarHBondContact CD2-NH1 3.09Å; H170-R216 PolarHBondContact CE1-NH1 3.37Å; H170-R216 VanDerWaalsContact CG-NH1 3.26Å; H170-R216 PolarHBondContact NE2-NH1 2.57Å
171S98.5Very high97.4Very high0 Ų012.8 Ų12.80%06%0.061CC..Hα-helixtrans-66.5-50.2176.8-54.50000111.8S168 S174 M175 G213 V227S168-S171 WeakPolarHBondContact CB-OG 3.42Å; S168-S171 PolarHBondContact O-N 3.06Å; S168-S171 PolarHBondContact OG-OG 3.47Å; S171-S174 PolarHBondContact O-OG 2.86Å; S171-M175 VanDerWaalsContact O-CB 3.29Å; S171-M175 WeakPolarHBondContact O-CB 3.27Å; S171-M175 PolarHBondContact O-N 3.12Å; S171-G213 WeakPolarHBondContact OG-CA 3.48Å; S171-V227 WeakPolarHBondContact CB-O 3.25Å
172S98.4Very high97.6Very high0 Ų09.2 Ų9.20%05%0.045CC..Hα-helixtrans-63.5-47.6-179.455.20000113T114 S168 G169 M175 Y176 G230 G234T114-S172 PolarHBondContact OG1-OG 2.81Å; S168-S172 PolarHBondContact O-N 3.3Å; S168-S172 PolarHBondContact O-OG 3.05Å; G169-S172 WeakPolarHBondContact CA-OG 3.4Å; G169-S172 PolarHBondContact O-OG 3.21Å; S172-M175 PolarHBondContact O-N 3.13Å; S172-Y176 WeakPolarHBondContact O-CB 3.45Å; S172-Y176 PolarHBondContact O-N 3.1Å; S172-G230 WeakPolarHBondContact CA-O 3.22Å; S172-G230 WeakPolarHBondContact CB-O 3.36Å; S172-G234 WeakPolarHBondContact O-CA 3.4Å
173F98.4Very high97.6Very high8 Ų810.3 Ų10.34%0.0355%0.051CC..Hα-helixtrans-65.5-46.5-178.9-175.6-97.5000112.3L58 Y59 L63 A107 G169 M175 Y176 C177L58-F173 HydrophobicContact CD1-CD1 3.88Å; L58-F173 HydrophobicContact CD2-CB 4.34Å; L58-F173 HydrophobicContact CD2-CD1 3.97Å; L58-F173 HydrophobicContact CG-CD1 3.66Å; L58-F173 HydrophobicContact CG-CE1 4.24Å; Y59-F173 AromaticContact CD1-CD1 3.99Å; Y59-F173 HydrophobicContact CD1-CD1 3.99Å; Y59-F173 HydrophobicContact CD1-CD2 4.43Å; Y59-F173 AromaticContact CD1-CE1 3.62Å; Y59-F173 HydrophobicContact CD1-CE1 3.62Å; Y59-F173 HydrophobicContact CD1-CE2 4.11Å; Y59-F173 HydrophobicContact CD1-CG 4.37Å; Y59-F173 AromaticContact CD1-CZ 3.7Å; Y59-F173 HydrophobicContact CD1-CZ 3.7Å; Y59-F173 HydrophobicContact CE1-CD1 4.13Å; Y59-F173 HydrophobicContact CE1-CD2 4.16Å; Y59-F173 HydrophobicContact CE1-CE1 4.18Å; Y59-F173 HydrophobicContact CE1-CE2 4.23Å; Y59-F173 HydrophobicContact CE1-CG 4.11Å; Y59-F173 HydrophobicContact CE1-CZ 4.24Å; L63-F173 HydrophobicContact CD2-CE2 4.39Å; L63-F173 HydrophobicContact CD2-CZ 3.86Å; L63-F173 HydrophobicContact CG-CZ 3.96Å; A107-F173 HydrophobicContact CB-CE2 4.42Å; G169-F173 WeakPolarHBondContact O-CB 3.19Å; G169-F173 PolarHBondContact O-N 3.44Å; G169-F173 VanDerWaalsContact O-N 3.09Å; F173-M175 VanDerWaalsContact C-N 3.35Å; F173-M175 PolarHBondContact O-N 2.87Å; F173-Y176 PolarHBondContact O-N 3.25Å; F173-C177 VanDerWaalsContact CZ-SG 3.54Å; F173-C177 WeakPolarHBondContact O-CB 3.41Å; F173-C177 PolarHBondContact O-N 2.86Å; F173-C177 PolarHBondContact O-SG 3.09Å
174S98.6Very high97.6Very high5 Ų59.9 Ų9.94%0.0355%0.049CC..Hα-helixtrans-62.5-42178.262.80000111.9H170 S171 C177 M178 S209H170-S174 WeakPolarHBondContact O-CB 3.48Å; H170-S174 PolarHBondContact O-N 3.17Å; H170-S174 VanDerWaalsContact O-N 3.07Å; H170-S174 PolarHBondContact O-OG 3.5Å; S171-S174 PolarHBondContact O-OG 2.86Å; S174-C177 PolarHBondContact O-N 3.1Å; S174-M178 WeakPolarHBondContact O-CB 3.34Å; S174-M178 VanDerWaalsContact O-CG 3.26Å; S174-M178 WeakPolarHBondContact O-CG 3.49Å; S174-M178 PolarHBondContact O-N 3.15Å; S174-S209 VanDerWaalsContact C-OG 3.3Å; S174-S209 PolarHBondContact OG-OG 3.48Å
175M98.8Very high97.5Very high16 Ų1610.4 Ų10.48%0.0795%0.051CC..Hα-helixtrans-67.9-43.9-178.9-178.35671.400111S171 S172 F173 C177 L179 I206 S209 V210 L231 A235S171-M175 VanDerWaalsContact O-CB 3.29Å; S171-M175 WeakPolarHBondContact O-CB 3.27Å; S171-M175 PolarHBondContact O-N 3.12Å; S172-M175 PolarHBondContact O-N 3.13Å; F173-M175 VanDerWaalsContact C-N 3.35Å; F173-M175 PolarHBondContact O-N 2.87Å; M175-C177 VanDerWaalsContact C-N 3.35Å; M175-C177 PolarHBondContact O-N 3.42Å; M175-L179 WeakPolarHBondContact O-CB 3.33Å; M175-L179 PolarHBondContact O-N 3.35Å; M175-L179 HydrophobicContact SD-CB 4.17Å; M175-I206 HydrophobicContact CE-CG2 4.39Å; M175-I206 HydrophobicContact SD-CD1 4.28Å; M175-S209 WeakPolarHBondContact CA-OG 3.48Å; M175-S209 WeakPolarHBondContact CB-OG 3.42Å; M175-S209 PolarHBondContact N-OG 3.4Å; M175-V210 HydrophobicContact CE-CG2 4.19Å; M175-L231 HydrophobicContact CB-CD2 3.94Å; M175-L231 HydrophobicContact CE-CB 4.39Å; M175-L231 HydrophobicContact CE-CD2 3.82Å; M175-L231 VanDerWaalsContact CG-O 3.28Å; M175-L231 WeakPolarHBondContact CG-O 3.49Å; M175-A235 HydrophobicContact CG-CB 3.84Å; M175-A235 HydrophobicContact SD-CB 4.44Å
176Y98.8Very high97.3Very high0 Ų013.4 Ų13.40%07%0.065CC..Hα-helixtrans-54.3-52.9173.3174.2-94.4000110.9F103 G106 A107 S172 F173 F180 M237 A238 V241F103-Y176 AromaticContact CD2-CE1 3.83Å; F103-Y176 HydrophobicContact CD2-CE1 3.83Å; F103-Y176 HydrophobicContact CE2-CD1 4.31Å; F103-Y176 AromaticContact CE2-CE1 3.73Å; F103-Y176 HydrophobicContact CE2-CE1 3.73Å; F103-Y176 PolarHBondContact O-OH 2.91Å; G106-Y176 VanDerWaalsContact CA-OH 3.24Å; G106-Y176 WeakPolarHBondContact CA-OH 3.48Å; A107-Y176 VanDerWaalsContact CA-CE1 3.46Å; A107-Y176 HydrophobicContact CB-CD1 4.05Å; A107-Y176 HydrophobicContact CB-CE1 3.62Å; A107-Y176 VanDerWaalsContact N-CE1 3.29Å; A107-Y176 VanDerWaalsContact N-CZ 3.3Å; A107-Y176 PolarHBondContact N-OH 3.03Å; S172-Y176 WeakPolarHBondContact O-CB 3.45Å; S172-Y176 PolarHBondContact O-N 3.1Å; F173-Y176 PolarHBondContact O-N 3.25Å; Y176-F180 HydrophobicContact CE2-CD2 4.36Å; Y176-F180 AromaticContact CZ-CD2 3.98Å; Y176-F180 WeakPolarHBondContact O-CB 3.27Å; Y176-F180 PolarHBondContact O-N 3.44Å; Y176-F180 WeakPolarHBondContact OH-CD2 3.49Å; Y176-M237 HydrophobicContact CD2-CB 4Å; Y176-M237 HydrophobicContact CD2-CG 3.94Å; Y176-M237 HydrophobicContact CE2-CB 4.44Å; Y176-M237 HydrophobicContact CE2-CG 3.97Å; Y176-A238 HydrophobicContact CD2-CB 3.9Å; Y176-A238 HydrophobicContact CE2-CB 4.23Å; Y176-V241 HydrophobicContact CE2-CG2 4.29Å
177C98.6Very high97Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-64.7-47.1-174.2-64.30000112.8G62 P66 F103 F173 S174 M175 L181G62-C177 WeakPolarHBondContact O-CB 3.38Å; G62-C177 PolarHBondContact O-SG 2.71Å; G62-C177 VanDerWaalsContact O-SG 3.34Å; P66-C177 HydrophobicContact CG-CB 4.31Å; F103-C177 HydrophobicContact CE2-CB 4.32Å; F103-C177 HydrophobicContact CZ-CB 4.35Å; F173-C177 VanDerWaalsContact CZ-SG 3.54Å; F173-C177 WeakPolarHBondContact O-CB 3.41Å; F173-C177 PolarHBondContact O-N 2.86Å; F173-C177 PolarHBondContact O-SG 3.09Å; S174-C177 PolarHBondContact O-N 3.1Å; M175-C177 VanDerWaalsContact C-N 3.35Å; M175-C177 PolarHBondContact O-N 3.42Å; C177-L181 WeakPolarHBondContact O-CB 3.49Å; C177-L181 PolarHBondContact O-N 3.38Å
178M98.6Very high96.6Very high11 Ų1114.7 Ų14.75%0.0547%0.072CC..Hα-helixtrans-74-38.2-176.1-63.1-56115.100112.1L65 P66 S174 L181 A182 L205L65-M178 HydrophobicContact CD2-CE 4.39Å; L65-M178 HydrophobicContact CD2-SD 4.32Å; P66-M178 HydrophobicContact CG-CE 4.42Å; S174-M178 WeakPolarHBondContact O-CB 3.34Å; S174-M178 VanDerWaalsContact O-CG 3.26Å; S174-M178 WeakPolarHBondContact O-CG 3.49Å; S174-M178 PolarHBondContact O-N 3.15Å; M178-L181 PolarHBondContact O-N 2.9Å; M178-A182 VanDerWaalsContact O-CB 3.3Å; M178-A182 WeakPolarHBondContact O-CB 3.24Å; M178-A182 PolarHBondContact O-N 3.45Å; M178-L205 HydrophobicContact CB-CB 4.18Å; M178-L205 VanDerWaalsContact CB-O 3.24Å; M178-L205 WeakPolarHBondContact CB-O 3.32Å; M178-L205 WeakPolarHBondContact CG-O 3.17Å; M178-L205 HydrophobicContact SD-CB 4.46Å; M178-L205 HydrophobicContact SD-CD2 3.66Å
179L98.7Very high96Very high31 Ų3116.8 Ų16.816%0.1628%0.083CC..Hα-helixtrans-70.1-41.4175.8-176.659.9000111.6M175 L181 A182 L183 I206 A235 A238 L239M175-L179 WeakPolarHBondContact O-CB 3.33Å; M175-L179 PolarHBondContact O-N 3.35Å; M175-L179 HydrophobicContact SD-CB 4.17Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.48Å; L179-A182 PolarHBondContact O-N 3.33Å; L179-L183 HydrophobicContact CD1-CD1 4.33Å; L179-L183 HydrophobicContact CD1-CG 4.22Å; L179-L183 HydrophobicContact CG-CD1 4.04Å; L179-L183 HydrophobicContact CG-CG 4.38Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 3.46Å; L179-I206 HydrophobicContact CB-CD1 3.92Å; L179-I206 HydrophobicContact CD1-CD1 3.74Å; L179-I206 HydrophobicContact CG-CD1 4.43Å; L179-A235 HydrophobicContact CD2-CB 3.77Å; L179-A238 HydrophobicContact CB-CB 4.1Å; L179-A238 HydrophobicContact CD2-CB 4.07Å; L179-A238 HydrophobicContact CG-CB 4.11Å; L179-L239 HydrophobicContact CD2-CG 4.34Å
180F98.4Very high95.1Very high0 Ų024 Ų240%012%0.116CC..Hα-helixtrans-57.3-47.3173.9-172.3-75.5000110.6M70 F103 Y176 L183 Y184 A238 V241 V242 F248M70-F180 HydrophobicContact CE-CD1 3.67Å; M70-F180 HydrophobicContact CE-CE1 3.47Å; M70-F180 VanDerWaalsContact CE-CE1 3.47Å; M70-F180 HydrophobicContact SD-CE1 3.95Å; F103-F180 HydrophobicContact CB-CD1 4.27Å; F103-F180 HydrophobicContact CB-CE1 3.72Å; F103-F180 HydrophobicContact CB-CE2 4.34Å; F103-F180 HydrophobicContact CB-CZ 3.75Å; F103-F180 HydrophobicContact CD2-CB 4.25Å; F103-F180 AromaticContact CD2-CD1 3.59Å; F103-F180 HydrophobicContact CD2-CD1 3.59Å; F103-F180 HydrophobicContact CD2-CD2 4.26Å; F103-F180 AromaticContact CD2-CE1 3.95Å; F103-F180 HydrophobicContact CD2-CE1 3.95Å; F103-F180 AromaticContact CD2-CG 3.77Å; F103-F180 HydrophobicContact CD2-CG 3.77Å; F103-F180 HydrophobicContact CD2-CZ 4.41Å; F103-F180 HydrophobicContact CE2-CB 4.47Å; F103-F180 HydrophobicContact CE2-CD1 4.41Å; F103-F180 HydrophobicContact CE2-CG 4.46Å; F103-F180 HydrophobicContact CG-CD1 4.32Å; F103-F180 HydrophobicContact CG-CE1 4.25Å; Y176-F180 HydrophobicContact CE2-CD2 4.36Å; Y176-F180 AromaticContact CZ-CD2 3.98Å; Y176-F180 WeakPolarHBondContact O-CB 3.27Å; Y176-F180 PolarHBondContact O-N 3.44Å; Y176-F180 WeakPolarHBondContact OH-CD2 3.49Å; F180-L183 PolarHBondContact O-N 3.45Å; F180-Y184 WeakPolarHBondContact O-CB 3.06Å; F180-Y184 PolarHBondContact O-N 3.44Å; F180-A238 HydrophobicContact CB-CB 4.37Å; F180-V241 HydrophobicContact CD2-CG1 4.45Å; F180-V241 HydrophobicContact CE2-CB 4.46Å; F180-V241 HydrophobicContact CE2-CG1 3.78Å; F180-V242 HydrophobicContact CD2-CG2 3.6Å; F180-V242 HydrophobicContact CE2-CG2 3.74Å; F180-V242 HydrophobicContact CG-CG2 4.2Å; F180-V242 HydrophobicContact CZ-CG2 4.43Å; F180-F248 AromaticContact CE1-CE2 3.62Å; F180-F248 HydrophobicContact CE1-CE2 3.62Å; F180-F248 HydrophobicContact CE1-CZ 4.05Å; F180-F248 HydrophobicContact CE2-CE2 4.4Å; F180-F248 AromaticContact CZ-CE2 3.5Å; F180-F248 HydrophobicContact CZ-CE2 3.5Å; F180-F248 VanDerWaalsContact CZ-CE2 3.5Å; F180-F248 AromaticContact CZ-CZ 3.9Å; F180-F248 HydrophobicContact CZ-CZ 3.9Å
181L98.1Very high94.1Very high2 Ų225.6 Ų25.61%0.0113%0.128CC..Hα-helixtrans-63.4-42.3176.7179.656.4000112L65 P66 C177 M178 L179 L183 Y184 L185 L205L65-L181 HydrophobicContact CD2-CD2 4.32Å; L65-L181 HydrophobicContact CG-CD2 4.02Å; P66-L181 HydrophobicContact CB-CB 4.27Å; P66-L181 HydrophobicContact CB-CD2 4.43Å; P66-L181 HydrophobicContact CG-CB 4.28Å; P66-L181 HydrophobicContact CG-CD2 4.22Å; C177-L181 WeakPolarHBondContact O-CB 3.49Å; C177-L181 PolarHBondContact O-N 3.38Å; M178-L181 PolarHBondContact O-N 2.9Å; L179-L181 VanDerWaalsContact C-N 3.31Å; L179-L181 PolarHBondContact O-N 3.48Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 2.81Å; L181-Y184 HydrophobicContact CD1-CD1 4.18Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.1Å; L181-L185 HydrophobicContact CD1-CD1 4.48Å; L181-L185 HydrophobicContact CD1-CG 4.18Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.19Å; L181-L205 HydrophobicContact CB-CD1 4.29Å; L181-L205 HydrophobicContact CD2-CD1 3.92Å; L181-L205 HydrophobicContact CD2-CD2 3.79Å; L181-L205 HydrophobicContact CG-CD1 3.8Å
182A97.8Very high92.8Very high5 Ų534.2 Ų34.24%0.04117%0.168CC..Hα-helixtrans-59.7-40.5176.300000112M178 L179 Q186 Q202 L205 I206M178-A182 VanDerWaalsContact O-CB 3.3Å; M178-A182 WeakPolarHBondContact O-CB 3.24Å; M178-A182 PolarHBondContact O-N 3.45Å; L179-A182 PolarHBondContact O-N 3.33Å; A182-Q186 WeakPolarHBondContact O-CB 3.14Å; A182-Q186 PolarHBondContact O-N 2.92Å; A182-Q202 HydrophobicContact CB-CB 4.2Å; A182-Q202 HydrophobicContact CB-CG 3.93Å; A182-Q202 PolarHBondContact O-NE2 2.95Å; A182-L205 HydrophobicContact CB-CD1 4.33Å; A182-I206 HydrophobicContact CB-CD1 4.38Å
183L96.6Very high91.6Very high23 Ų2345.7 Ų45.712%0.1221%0.211CC..Hα-helixtrans-71.9-35.9175.3-68.7170.4000112.4L179 F180 L181 Q186 A187 L239 V242 F243 F249L179-L183 HydrophobicContact CD1-CD1 4.33Å; L179-L183 HydrophobicContact CD1-CG 4.22Å; L179-L183 HydrophobicContact CG-CD1 4.04Å; L179-L183 HydrophobicContact CG-CG 4.38Å; L179-L183 WeakPolarHBondContact O-CB 3.36Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 3.48Å; L179-L183 PolarHBondContact O-N 3.46Å; F180-L183 PolarHBondContact O-N 3.45Å; L181-L183 VanDerWaalsContact C-N 3.3Å; L181-L183 PolarHBondContact O-N 2.81Å; L183-Q186 CarbonylContact O-C 3.56Å; L183-Q186 WeakPolarHBondContact O-CA 3.29Å; L183-Q186 VanDerWaalsContact O-CB 3.26Å; L183-Q186 WeakPolarHBondContact O-CB 3.49Å; L183-Q186 PolarHBondContact O-N 3.2Å; L183-A187 PolarHBondContact O-N 3.15Å; L183-L239 HydrophobicContact CD1-CD2 4.05Å; L183-V242 HydrophobicContact CB-CG1 4.07Å; L183-V242 HydrophobicContact CB-CG2 4.15Å; L183-V242 HydrophobicContact CD1-CB 4.04Å; L183-V242 HydrophobicContact CD1-CG1 4.11Å; L183-V242 HydrophobicContact CD1-CG2 3.9Å; L183-F243 HydrophobicContact CD2-CZ 4.39Å; L183-F249 HydrophobicContact CB-CE2 4.41Å; L183-F249 WeakPolarHBondContact O-CZ 3.23Å
184Y94.9Very high90.5Very high1 Ų146.4 Ų46.40%0.00422%0.218CC..Hα-helixtrans-61.9-47.7171.8173.6-97.1000111.2M70 E74 A99 F180 L181 Q186 A187 R188 F248M70-Y184 HydrophobicContact CB-CE1 4.38Å; M70-Y184 HydrophobicContact CB-CE2 4.47Å; M70-Y184 HydrophobicContact CG-CD1 3.98Å; M70-Y184 HydrophobicContact CG-CD2 4.01Å; M70-Y184 HydrophobicContact CG-CE1 3.92Å; M70-Y184 HydrophobicContact CG-CE2 3.94Å; M70-Y184 HydrophobicContact CG-CG 4.03Å; M70-Y184 PolarHBondContact O-OH 3.02Å; E74-Y184 WeakPolarHBondContact CG-OH 3.36Å; E74-Y184 PolarHBondContact N-OH 2.98Å; E74-Y184 WeakPolarHBondContact OE1-CE2 3.22Å; E74-Y184 PolarHBondContact OE1-OH 3.08Å; A99-Y184 HydrophobicContact CB-CE2 4.41Å; F180-Y184 WeakPolarHBondContact O-CB 3.06Å; F180-Y184 PolarHBondContact O-N 3.44Å; L181-Y184 HydrophobicContact CD1-CD1 4.18Å; L181-Y184 WeakPolarHBondContact O-CB 3.4Å; L181-Y184 PolarHBondContact O-N 3.1Å; Y184-Q186 PolarHBondContact O-N 3.33Å; Y184-A187 PolarHBondContact O-N 3.22Å; Y184-R188 HydrophobicContact CD2-CG 4.08Å; Y184-R188 HydrophobicContact CE1-CB 4.45Å; Y184-R188 HydrophobicContact CE1-CG 4.13Å; Y184-R188 HydrophobicContact CE2-CG 3.55Å; Y184-R188 PolarHBondContact O-N 3.26Å; Y184-F248 HydrophobicContact CD2-CD2 4.26Å; Y184-F248 HydrophobicContact CD2-CE1 4.12Å; Y184-F248 AromaticContact CD2-CE2 3.8Å; Y184-F248 HydrophobicContact CD2-CE2 3.8Å; Y184-F248 AromaticContact CD2-CZ 3.73Å; Y184-F248 HydrophobicContact CD2-CZ 3.73Å; Y184-F248 HydrophobicContact CE2-CE1 4.37Å; Y184-F248 HydrophobicContact CE2-CZ 4.32Å
185L93.8Very high89.7Confident29 Ų2956.6 Ų56.615%0.15226%0.256CS..Hα-helixtrans-61.9-34.2173.3-67.1176.2000111.3L181 L189 L201 L205L181-L185 HydrophobicContact CD1-CD1 4.48Å; L181-L185 HydrophobicContact CD1-CG 4.18Å; L181-L185 HydrophobicContact CG-CD1 4.35Å; L181-L185 HydrophobicContact CG-CG 4.49Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.19Å; L185-L189 VanDerWaalsContact O-CB 3.25Å; L185-L189 WeakPolarHBondContact O-CB 3.16Å; L185-L189 PolarHBondContact O-N 3.46Å; L185-L201 HydrophobicContact CD1-CB 4.35Å; L185-L205 HydrophobicContact CD1-CD1 3.82Å
186Q93.3Very high89.3Confident63 Ų6361.8 Ų61.829%0.29428%0.284SS..Hα-helixtrans-60.1-47.2170.6-172.975.82.200110.3A182 L183 Y184 R188 R198 F249A182-Q186 WeakPolarHBondContact O-CB 3.14Å; A182-Q186 PolarHBondContact O-N 2.92Å; L183-Q186 CarbonylContact O-C 3.56Å; L183-Q186 WeakPolarHBondContact O-CA 3.29Å; L183-Q186 VanDerWaalsContact O-CB 3.26Å; L183-Q186 WeakPolarHBondContact O-CB 3.49Å; L183-Q186 PolarHBondContact O-N 3.2Å; Y184-Q186 PolarHBondContact O-N 3.33Å; Q186-R188 PolarHBondContact O-N 2.92Å; Q186-R198 VanDerWaalsContact C-NH2 3.35Å; Q186-R198 VanDerWaalsContact CG-NH2 3.3Å; Q186-R198 PolarHBondContact O-NH2 3.48Å; Q186-R198 VanDerWaalsContact OE1-NE 3.12Å; Q186-F249 HydrophobicContact CB-CE1 4.32Å; Q186-F249 HydrophobicContact CB-CZ 3.93Å; Q186-F249 HydrophobicContact CG-CE1 3.87Å; Q186-F249 HydrophobicContact CG-CZ 3.88Å
187A89.3Confident88.8Confident14 Ų1466 Ų6612%0.11631%0.306CS..Hα-helixtrans-68.7-37.4-179.200000113.6L183 Y184 F248 F249L183-A187 PolarHBondContact O-N 3.15Å; Y184-A187 PolarHBondContact O-N 3.22Å; A187-F248 HydrophobicContact CB-CB 3.75Å; A187-F249 HydrophobicContact CB-CD1 4.38Å; A187-F249 HydrophobicContact CB-CE1 4.02Å; A187-F249 HydrophobicContact CB-CE2 4.14Å; A187-F249 HydrophobicContact CB-CZ 3.9Å
188R86.7Confident88.5Confident76 Ų7669 Ų6929%0.28732%0.317SS..Hα-helixtrans-101.4-33.8-167.2-62.9-43.4-166.8-142.50.5115.4E74 L77 Y184 Q186 Q190 F248E74-R188 IonicContact OE1-CZ 3.66Å; E74-R188 IonicContact OE1-NE 3.05Å; E74-R188 PolarHBondContact OE1-NE 3.02Å; E74-R188 IonicContact OE1-NH2 2.83Å; L77-R188 HydrophobicContact CD1-CB 4.08Å; L77-R188 HydrophobicContact CD1-CG 3.97Å; Y184-R188 HydrophobicContact CD2-CG 4.08Å; Y184-R188 HydrophobicContact CE1-CB 4.45Å; Y184-R188 HydrophobicContact CE1-CG 4.13Å; Y184-R188 HydrophobicContact CE2-CG 3.55Å; Y184-R188 PolarHBondContact O-N 3.26Å; Q186-R188 PolarHBondContact O-N 2.92Å; R188-Q190 PolarHBondContact O-N 3.46Å; R188-Q190 VanDerWaalsContact O-N 3.12Å; R188-F248 PolarHBondContact NH1-O 3.04Å
189L85.3Confident88.3Confident45 Ų4571.3 Ų71.324%0.23633%0.333CS..  trans-88.877.7-174.9-168.166.5000111.1L185 V191 R198 L201L185-L189 VanDerWaalsContact O-CB 3.25Å; L185-L189 WeakPolarHBondContact O-CB 3.16Å; L185-L189 PolarHBondContact O-N 3.46Å; L189-V191 HydrophobicContact CD1-CG2 3.69Å; L189-V191 HydrophobicContact CG-CG2 4.37Å; L189-R198 HydrophobicContact CD2-CB 3.98Å; L189-R198 HydrophobicContact CD2-CG 4.3Å; L189-R198 WeakPolarHBondContact O-CD 3.21Å; L189-L201 HydrophobicContact CD2-CD1 4.42Å
190Q78.5Confident88.1Confident152 Ų15273 Ų7371%0.7135%0.345SS*.  trans-98.343.9178.6-63-164.1-28.700113.2R188 Q192R188-Q190 PolarHBondContact O-N 3.46Å; R188-Q190 VanDerWaalsContact O-N 3.12Å; Q190-Q192 PolarHBondContact O-N 3.4Å
191V76.5Confident88Confident57 Ų5776.4 Ų76.435%0.34536%0.363SS..  trans-85.7116-175.2-1750000110.9L189 W193 A194L189-V191 HydrophobicContact CD1-CG2 3.69Å; L189-V191 HydrophobicContact CG-CG2 4.37Å; V191-W193 HydrophobicContact CG1-CD2 3.73Å; V191-W193 VanDerWaalsContact CG1-CE2 3.43Å; V191-W193 HydrophobicContact CG1-CG 3.72Å; V191-W193 HydrophobicContact CG1-CZ2 4.1Å; V191-W193 VanDerWaalsContact CG1-NE1 3.26Å; V191-W193 PolarHBondContact O-N 3.46Å; V191-A194 HydrophobicContact CG1-CB 4.31Å; V191-A194 PolarHBondContact O-N 3.21Å
192Q71.1Confident88Confident181 Ų18178 Ų7885%0.84637%0.37SS*.G310 helixtrans-67.1-34.3-176.4-65.2-71.3-28.500113.2Q190 A194Q190-Q192 PolarHBondContact O-N 3.4Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 3Å
193W73.3Confident88Confident241 Ų24184.2 Ų84.291%0.91340%0.396SS*.G310 helixtrans-75.6-16.4-177.166.655000114V191V191-W193 HydrophobicContact CG1-CD2 3.73Å; V191-W193 VanDerWaalsContact CG1-CE2 3.43Å; V191-W193 HydrophobicContact CG1-CG 3.72Å; V191-W193 HydrophobicContact CG1-CZ2 4.1Å; V191-W193 VanDerWaalsContact CG1-NE1 3.26Å; V191-W193 PolarHBondContact O-N 3.46Å
194A75.2Confident88Confident22 Ų2289.4 Ų89.418%0.18242%0.418CS..G310 helixtrans-116.251.7-173.500000111.4V191 Q192 L196 L197V191-A194 HydrophobicContact CG1-CB 4.31Å; V191-A194 PolarHBondContact O-N 3.21Å; Q192-A194 VanDerWaalsContact C-N 3.31Å; Q192-A194 PolarHBondContact O-N 3Å; A194-L196 PolarHBondContact O-N 3.38Å; A194-L197 HydrophobicContact CB-CB 3.75Å; A194-L197 HydrophobicContact CB-CD2 4.01Å; A194-L197 PolarHBondContact O-N 2.95Å
195R80.6Confident88.2Confident219 Ų21990.3 Ų90.383%0.82642%0.423SS*.THydrogen-bonded Turntrans-49.6-38.6-173.3-176.8177.2176.5177.4-0.4114P199R195-P199 WeakPolarHBondContact O-CD 3.49Å
196L90.4Very high88.4Confident125 Ų12591.3 Ų91.365%0.65443%0.428SS*.THydrogen-bonded Turntrans-91.9-20.2-177.7-63.3179.9000114.1A194 R198 P199 T200A194-L196 PolarHBondContact O-N 3.38Å; L196-R198 PolarHBondContact O-N 3.46Å; L196-P199 VanDerWaalsContact O-CD 3.25Å; L196-P199 WeakPolarHBondContact O-CD 3.26Å; L196-P199 VanDerWaalsContact O-CG 3.3Å; L196-P199 WeakPolarHBondContact O-CG 3.1Å; L196-T200 VanDerWaalsContact O-CB 3.29Å; L196-T200 WeakPolarHBondContact O-CB 3.36Å; L196-T200 PolarHBondContact O-N 2.91Å; L196-T200 PolarHBondContact O-OG1 3.5Å
197L90Very high88.7Confident89 Ų8990 Ų9047%0.46643%0.428SS..Hα-helixtrans-59.7-47.9-174177.363.2000112A194 T200 L201A194-L197 HydrophobicContact CB-CB 3.75Å; A194-L197 HydrophobicContact CB-CD2 4.01Å; A194-L197 PolarHBondContact O-N 2.95Å; L197-T200 PolarHBondContact O-N 3.32Å; L197-L201 HydrophobicContact CD1-CD1 4.13Å; L197-L201 HydrophobicContact CD1-CG 4.22Å; L197-L201 HydrophobicContact CG-CD1 4.08Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.92Å
198R91.6Very high89.1Confident63 Ų6391.6 Ų91.624%0.23844%0.441CS..Hα-helixtrans-61-55.4-178.7-178.4-162.7-173.1-152.79.7113Q186 L189 L196 T200 L201 Q202Q186-R198 VanDerWaalsContact C-NH2 3.35Å; Q186-R198 VanDerWaalsContact CG-NH2 3.3Å; Q186-R198 PolarHBondContact O-NH2 3.48Å; Q186-R198 VanDerWaalsContact OE1-NE 3.12Å; L189-R198 HydrophobicContact CD2-CB 3.98Å; L189-R198 HydrophobicContact CD2-CG 4.3Å; L189-R198 WeakPolarHBondContact O-CD 3.21Å; L196-R198 PolarHBondContact O-N 3.46Å; R198-T200 VanDerWaalsContact C-N 3.27Å; R198-T200 PolarHBondContact O-N 3.48Å; R198-L201 PolarHBondContact O-N 3.23Å; R198-Q202 VanDerWaalsContact O-CG 3.29Å; R198-Q202 WeakPolarHBondContact O-CG 3.45Å; R198-Q202 PolarHBondContact O-N 2.91Å
199P93.9Very high89.7Confident60 Ų6088 Ų8839%0.3943%0.428SS..Hα-helixtrans-63.7-32177.223.8-33.3000112.7R195 L196 Q202 F203R195-P199 WeakPolarHBondContact O-CD 3.49Å; L196-P199 VanDerWaalsContact O-CD 3.25Å; L196-P199 WeakPolarHBondContact O-CD 3.26Å; L196-P199 VanDerWaalsContact O-CG 3.3Å; L196-P199 WeakPolarHBondContact O-CG 3.1Å; P199-Q202 PolarHBondContact O-N 2.92Å; P199-F203 WeakPolarHBondContact O-CB 3.38Å; P199-F203 PolarHBondContact O-N 3.44Å
200T95.7Very high90.3Very high67 Ų6788.6 Ų88.641%0.41143%0.433SS..Hα-helixtrans-64-47.1174-62.90000111.9L196 L197 R198 Q202 F203 F204L196-T200 VanDerWaalsContact O-CB 3.29Å; L196-T200 WeakPolarHBondContact O-CB 3.36Å; L196-T200 PolarHBondContact O-N 2.91Å; L196-T200 PolarHBondContact O-OG1 3.5Å; L197-T200 PolarHBondContact O-N 3.32Å; R198-T200 VanDerWaalsContact C-N 3.27Å; R198-T200 PolarHBondContact O-N 3.48Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 3.4Å; T200-F203 PolarHBondContact O-N 3.02Å; T200-F204 HydrophobicContact CG2-CD2 3.78Å; T200-F204 HydrophobicContact CG2-CE2 3.56Å; T200-F204 WeakPolarHBondContact O-CD2 3.29Å; T200-F204 PolarHBondContact O-N 2.94Å; T200-F204 VanDerWaalsContact O-N 3.09Å
201L95.9Very high91.3Very high71 Ų7187.8 Ų87.837%0.37242%0.424SS..Hα-helixtrans-60-45.4175.6-71.6172.9000111.3L185 L189 L197 R198 F203 F204 L205L185-L201 HydrophobicContact CD1-CB 4.35Å; L189-L201 HydrophobicContact CD2-CD1 4.42Å; L197-L201 HydrophobicContact CD1-CD1 4.13Å; L197-L201 HydrophobicContact CD1-CG 4.22Å; L197-L201 HydrophobicContact CG-CD1 4.08Å; L197-L201 WeakPolarHBondContact O-CG 3.38Å; L197-L201 PolarHBondContact O-N 2.92Å; R198-L201 PolarHBondContact O-N 3.23Å; L201-F203 PolarHBondContact O-N 3.11Å; L201-F204 PolarHBondContact O-N 3.32Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.22Å; L201-L205 PolarHBondContact O-N 3.27Å
202Q96.9Very high92.3Very high34 Ų3485.9 Ų85.916%0.15941%0.413CS..Hα-helixtrans-60.8-44.3177.8-69.2169.5-32.600111.8A182 R198 P199 T200 F204 L205 I206A182-Q202 HydrophobicContact CB-CB 4.2Å; A182-Q202 HydrophobicContact CB-CG 3.93Å; A182-Q202 PolarHBondContact O-NE2 2.95Å; R198-Q202 VanDerWaalsContact O-CG 3.29Å; R198-Q202 WeakPolarHBondContact O-CG 3.45Å; R198-Q202 PolarHBondContact O-N 2.91Å; P199-Q202 PolarHBondContact O-N 2.92Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 3.4Å; Q202-F204 PolarHBondContact O-N 2.89Å; Q202-L205 PolarHBondContact O-N 2.94Å; Q202-I206 WeakPolarHBondContact O-CG1 3.35Å; Q202-I206 PolarHBondContact O-N 3.48Å
203F97.8Very high93.6Very high137 Ų13777.2 Ų77.260%0.60137%0.372SS*.Hα-helixtrans-56.7-49.7176173.4-96.1000111.5P199 T200 L201 L205 I206 A207P199-F203 WeakPolarHBondContact O-CB 3.38Å; P199-F203 PolarHBondContact O-N 3.44Å; T200-F203 PolarHBondContact O-N 3.02Å; L201-F203 PolarHBondContact O-N 3.11Å; F203-L205 PolarHBondContact O-N 2.97Å; F203-I206 PolarHBondContact O-N 3.41Å; F203-A207 HydrophobicContact CE1-CB 4.44Å; F203-A207 VanDerWaalsContact O-CB 3.23Å; F203-A207 WeakPolarHBondContact O-CB 3.14Å; F203-A207 PolarHBondContact O-N 3.45Å
204F98.3Very high94.8Very high131 Ų13170.7 Ų70.758%0.57536%0.355SS*.Hα-helixtrans-66.9-35.2-179.2-76.5-64.7000113.2T200 L201 Q202 A207 A208T200-F204 HydrophobicContact CG2-CD2 3.78Å; T200-F204 HydrophobicContact CG2-CE2 3.56Å; T200-F204 WeakPolarHBondContact O-CD2 3.29Å; T200-F204 PolarHBondContact O-N 2.94Å; T200-F204 VanDerWaalsContact O-N 3.09Å; L201-F204 PolarHBondContact O-N 3.32Å; Q202-F204 PolarHBondContact O-N 2.89Å; F204-A207 PolarHBondContact O-N 2.91Å; F204-A208 WeakPolarHBondContact O-CB 3.26Å; F204-A208 PolarHBondContact O-N 3.06Å
205L98.5Very high95.9Very high20 Ų2069.8 Ų69.811%0.10535%0.347CS..Hα-helixtrans-61.3-49.8173.5-71172.2000111.1L65 M178 L181 A182 L185 L201 Q202 F203 A208 S209L65-L205 HydrophobicContact CD2-CD2 3.96Å; M178-L205 HydrophobicContact CB-CB 4.18Å; M178-L205 VanDerWaalsContact CB-O 3.24Å; M178-L205 WeakPolarHBondContact CB-O 3.32Å; M178-L205 WeakPolarHBondContact CG-O 3.17Å; M178-L205 HydrophobicContact SD-CB 4.46Å; M178-L205 HydrophobicContact SD-CD2 3.66Å; L181-L205 HydrophobicContact CB-CD1 4.29Å; L181-L205 HydrophobicContact CD2-CD1 3.92Å; L181-L205 HydrophobicContact CD2-CD2 3.79Å; L181-L205 HydrophobicContact CG-CD1 3.8Å; A182-L205 HydrophobicContact CB-CD1 4.33Å; L185-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 VanDerWaalsContact O-CG 3.25Å; L201-L205 WeakPolarHBondContact O-CG 3.22Å; L201-L205 PolarHBondContact O-N 3.27Å; Q202-L205 PolarHBondContact O-N 2.94Å; F203-L205 PolarHBondContact O-N 2.97Å; L205-A208 PolarHBondContact O-N 3.48Å; L205-S209 PolarHBondContact O-N 3.18Å
206I98.5Very high96.7Very high50 Ų5059.4 Ų59.426%0.25631%0.308SS..Hα-helixtrans-66.1-42.3178.5-59.9-55.4000111.1M175 L179 A182 Q202 F203 A208 S209 V210M175-I206 HydrophobicContact CE-CG2 4.39Å; M175-I206 HydrophobicContact SD-CD1 4.28Å; L179-I206 HydrophobicContact CB-CD1 3.92Å; L179-I206 HydrophobicContact CD1-CD1 3.74Å; L179-I206 HydrophobicContact CG-CD1 4.43Å; A182-I206 HydrophobicContact CB-CD1 4.38Å; Q202-I206 WeakPolarHBondContact O-CG1 3.35Å; Q202-I206 PolarHBondContact O-N 3.48Å; F203-I206 PolarHBondContact O-N 3.41Å; I206-A208 VanDerWaalsContact C-N 3.3Å; I206-A208 PolarHBondContact O-N 2.97Å; I206-S209 PolarHBondContact O-N 3.36Å; I206-S209 VanDerWaalsContact O-N 3.15Å; I206-V210 HydrophobicContact CG2-CG2 4.4Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.28Å
207A98.5Very high97.1Very high37 Ų3755.9 Ų55.931%0.30629%0.292SS..Hα-helixtrans-59.6-39.5176.600000112F203 F204 S209 V210 Y211F203-A207 HydrophobicContact CE1-CB 4.44Å; F203-A207 VanDerWaalsContact O-CB 3.23Å; F203-A207 WeakPolarHBondContact O-CB 3.14Å; F203-A207 PolarHBondContact O-N 3.45Å; F204-A207 PolarHBondContact O-N 2.91Å; A207-S209 VanDerWaalsContact C-N 3.35Å; A207-S209 PolarHBondContact O-N 3.47Å; A207-V210 PolarHBondContact O-N 3.31Å; A207-Y211 WeakPolarHBondContact O-CB 3.44Å; A207-Y211 PolarHBondContact O-N 3.46Å
208A98.4Very high97.4Very high47 Ų4755.3 Ų55.339%0.38830%0.295SS..Hα-helixtrans-63.4-38.317600000112.6F204 L205 I206 T212F204-A208 WeakPolarHBondContact O-CB 3.26Å; F204-A208 PolarHBondContact O-N 3.06Å; L205-A208 PolarHBondContact O-N 3.48Å; I206-A208 VanDerWaalsContact C-N 3.3Å; I206-A208 PolarHBondContact O-N 2.97Å; A208-T212 PolarHBondContact O-N 3.18Å; A208-T212 PolarHBondContact O-OG1 3.11Å
209S98.4Very high97.7Very high0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-68-44.5173.5171.90000112.2S174 M175 L205 I206 A207 Y211 T212 G213S174-S209 VanDerWaalsContact C-OG 3.3Å; S174-S209 PolarHBondContact OG-OG 3.48Å; M175-S209 WeakPolarHBondContact CA-OG 3.48Å; M175-S209 WeakPolarHBondContact CB-OG 3.42Å; M175-S209 PolarHBondContact N-OG 3.4Å; L205-S209 PolarHBondContact O-N 3.18Å; I206-S209 PolarHBondContact O-N 3.36Å; I206-S209 VanDerWaalsContact O-N 3.15Å; A207-S209 VanDerWaalsContact C-N 3.35Å; A207-S209 PolarHBondContact O-N 3.47Å; S209-Y211 VanDerWaalsContact C-N 3.33Å; S209-Y211 PolarHBondContact O-N 3.37Å; S209-T212 WeakPolarHBondContact O-CB 3.47Å; S209-T212 PolarHBondContact O-N 2.63Å; S209-T212 VanDerWaalsContact O-N 3.17Å; S209-G213 PolarHBondContact O-N 2.91Å
210V98.6Very high97.9Very high58 Ų5853.6 Ų53.635%0.35228%0.282SS..Hα-helixtrans-60.5-45176.6173.10000110.4M175 I206 A207 T212 G213 L214M175-V210 HydrophobicContact CE-CG2 4.19Å; I206-V210 HydrophobicContact CG2-CG2 4.4Å; I206-V210 WeakPolarHBondContact O-CG2 3.21Å; I206-V210 PolarHBondContact O-N 3.28Å; A207-V210 PolarHBondContact O-N 3.31Å; V210-T212 VanDerWaalsContact C-N 3.33Å; V210-T212 PolarHBondContact O-N 3.48Å; V210-G213 WeakPolarHBondContact O-CA 3.49Å; V210-G213 PolarHBondContact O-N 3.27Å; V210-G213 VanDerWaalsContact O-N 3.09Å; V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.39Å; V210-L214 PolarHBondContact O-N 2.89Å
211Y98.6Very high98Very high135 Ų13551 Ų5153%0.52927%0.265SS..Hα-helixtrans-57.7-44.5174.3173.9-100.8000112V53 A207 S209 G213 L214 S215V53-Y211 HydrophobicContact CG2-CE1 4.26Å; A207-Y211 WeakPolarHBondContact O-CB 3.44Å; A207-Y211 PolarHBondContact O-N 3.46Å; S209-Y211 VanDerWaalsContact C-N 3.33Å; S209-Y211 PolarHBondContact O-N 3.37Å; Y211-G213 VanDerWaalsContact C-N 3.28Å; Y211-G213 PolarHBondContact O-N 2.87Å; Y211-L214 PolarHBondContact O-N 3.07Å; Y211-S215 PolarHBondContact O-N 2.91Å
212T98.4Very high98.1Very high16 Ų1647.7 Ų47.710%0.09825%0.248CC..Hα-helixtrans-56.8-44.1174.5-61.30000111V53 L58 H170 A208 S209 V210 S215 R216V53-T212 HydrophobicContact CB-CG2 4.45Å; V53-T212 HydrophobicContact CG1-CG2 4.18Å; L58-T212 HydrophobicContact CD1-CG2 4.1Å; H170-T212 HydrophobicContact CB-CG2 4.11Å; A208-T212 PolarHBondContact O-N 3.18Å; A208-T212 PolarHBondContact O-OG1 3.11Å; S209-T212 WeakPolarHBondContact O-CB 3.47Å; S209-T212 PolarHBondContact O-N 2.63Å; S209-T212 VanDerWaalsContact O-N 3.17Å; V210-T212 VanDerWaalsContact C-N 3.33Å; V210-T212 PolarHBondContact O-N 3.48Å; T212-S215 PolarHBondContact O-N 3.29Å; T212-S215 PolarHBondContact O-OG 3.44Å; T212-R216 PolarHBondContact O-N 2.89Å
213G98.2Very high98.1Very high0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-63-46.7174.700000113.4S171 S209 V210 Y211 S215 R216 V227S171-G213 WeakPolarHBondContact OG-CA 3.48Å; S209-G213 PolarHBondContact O-N 2.91Å; V210-G213 WeakPolarHBondContact O-CA 3.49Å; V210-G213 PolarHBondContact O-N 3.27Å; V210-G213 VanDerWaalsContact O-N 3.09Å; Y211-G213 VanDerWaalsContact C-N 3.28Å; Y211-G213 PolarHBondContact O-N 2.87Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 2.99Å; G213-R216 VanDerWaalsContact O-CB 3.27Å; G213-R216 WeakPolarHBondContact O-CB 3.01Å; G213-R216 PolarHBondContact O-N 3.39Å; G213-V227 WeakPolarHBondContact O-CG1 3.28Å; G213-V227 WeakPolarHBondContact O-CG2 3.15Å
214L98.4Very high98.1Very high103 Ų10349.3 Ų49.354%0.53925%0.25SC..Hα-helixtrans-63.3-35178.5-67.9174.5000112.4V210 Y211 R216 V217 S218V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.27Å; V210-L214 WeakPolarHBondContact O-CG 3.39Å; V210-L214 PolarHBondContact O-N 2.89Å; Y211-L214 PolarHBondContact O-N 3.07Å; L214-R216 PolarHBondContact O-N 3.12Å; L214-V217 PolarHBondContact O-N 3.02Å; L214-V217 VanDerWaalsContact O-N 3.1Å; L214-S218 PolarHBondContact O-N 3.18Å; L214-S218 VanDerWaalsContact O-N 3.12Å; L214-S218 PolarHBondContact O-OG 2.73Å; L214-S218 VanDerWaalsContact O-OG 3.06Å
215S98.3Very high98.1Very high3 Ų344.5 Ų44.52%0.02123%0.232CC..Hα-helixtrans-59-32.2173.680.70000111.6Y211 T212 G213 V217 S218 D219Y211-S215 PolarHBondContact O-N 2.91Å; T212-S215 PolarHBondContact O-N 3.29Å; T212-S215 PolarHBondContact O-OG 3.44Å; G213-S215 VanDerWaalsContact C-N 3.29Å; G213-S215 PolarHBondContact O-N 2.99Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.35Å; S215-S218 VanDerWaalsContact CA-OG 3.31Å; S215-S218 WeakPolarHBondContact CA-OG 3.2Å; S215-S218 PolarHBondContact O-N 3.04Å; S215-S218 PolarHBondContact O-OG 3.19Å; S215-D219 WeakPolarHBondContact O-CB 3.35Å; S215-D219 PolarHBondContact O-N 3.13Å
216R98.1Very high98.1Very high1 Ų143.6 Ų43.60%0.00423%0.227CC..Hα-helixtrans-69-29.1177.4-61.7-56.283.6138.5-3114V53 H170 T212 G213 L214 D219 K221 H222 V227V53-R216 PolarHBondContact O-NH1 3.06Å; V53-R216 PolarHBondContact O-NH2 3.49Å; H170-R216 HydrophobicContact CB-CG 3.94Å; H170-R216 PolarHBondContact CD2-NH1 3.09Å; H170-R216 PolarHBondContact CE1-NH1 3.37Å; H170-R216 VanDerWaalsContact CG-NH1 3.26Å; H170-R216 PolarHBondContact NE2-NH1 2.57Å; T212-R216 PolarHBondContact O-N 2.89Å; G213-R216 VanDerWaalsContact O-CB 3.27Å; G213-R216 WeakPolarHBondContact O-CB 3.01Å; G213-R216 PolarHBondContact O-N 3.39Å; L214-R216 PolarHBondContact O-N 3.12Å; R216-D219 IonicContact CZ-OD2 2.78Å; R216-D219 IonicContact NE-OD2 3.83Å; R216-D219 IonicContact NH2-OD2 3.88Å; R216-D219 PolarHBondContact NH2-OD2 2.95Å; R216-K221 HydrophobicContact CB-CB 4.47Å; R216-K221 PolarHBondContact O-N 3.33Å; R216-H222 HydrophobicContact CB-CB 4.14Å; R216-H222 PolarHBondContact O-N 2.98Å; R216-H222 VanDerWaalsContact O-N 3.13Å; R216-V227 HydrophobicContact CB-CG2 3.87Å
217V98Very high98.1Very high52 Ų5241.6 Ų41.632%0.31522%0.217SC..Hα-helixtrans-76.6-47.2176.4-174.20000109.6L214 S215 D219 Y220 W224 V227L214-V217 PolarHBondContact O-N 3.02Å; L214-V217 VanDerWaalsContact O-N 3.1Å; S215-V217 VanDerWaalsContact C-N 3.32Å; S215-V217 PolarHBondContact O-N 3.35Å; V217-D219 PolarHBondContact O-N 3.38Å; V217-Y220 WeakPolarHBondContact O-CD1 3.34Å; V217-Y220 PolarHBondContact O-N 3.44Å; V217-Y220 VanDerWaalsContact O-N 3.1Å; V217-W224 HydrophobicContact CG2-CB 4.46Å; V217-V227 HydrophobicContact CG2-CB 4.26Å; V217-V227 HydrophobicContact CG2-CG2 3.76Å
218S97.1Very high98.1Very high76 Ų7643.8 Ų43.853%0.53122%0.223SC..Hα-helixtrans-67.3-33.4179.144.40000113.4L214 S215 Y220L214-S218 PolarHBondContact O-N 3.18Å; L214-S218 VanDerWaalsContact O-N 3.12Å; L214-S218 PolarHBondContact O-OG 2.73Å; L214-S218 VanDerWaalsContact O-OG 3.06Å; S215-S218 VanDerWaalsContact CA-OG 3.31Å; S215-S218 WeakPolarHBondContact CA-OG 3.2Å; S215-S218 PolarHBondContact O-N 3.04Å; S215-S218 PolarHBondContact O-OG 3.19Å; S218-Y220 PolarHBondContact O-N 3.1Å
219D97.4Very high98.1Very high11 Ų1143.8 Ų43.86%0.05922%0.219CC..THydrogen-bonded Turntrans-78.85.2173.1-60.6-25.1000113.1S51 T52 S215 R216 V217 K221S51-D219 WeakPolarHBondContact CA-OD2 3.49Å; T52-D219 WeakPolarHBondContact CB-OD1 3.49Å; T52-D219 PolarHBondContact N-OD1 3.34Å; T52-D219 PolarHBondContact N-OD2 3.37Å; T52-D219 PolarHBondContact OG1-OD1 2.91Å; S215-D219 WeakPolarHBondContact O-CB 3.35Å; S215-D219 PolarHBondContact O-N 3.13Å; R216-D219 IonicContact CZ-OD2 2.78Å; R216-D219 IonicContact NE-OD2 3.83Å; R216-D219 IonicContact NH2-OD2 3.88Å; R216-D219 PolarHBondContact NH2-OD2 2.95Å; V217-D219 PolarHBondContact O-N 3.38Å; D219-K221 HydrophobicContact CB-CG 3.79Å; D219-K221 PolarHBondContact O-N 2.93Å
220Y97.6Very high98.1Very high77 Ų7743.8 Ų43.830%0.30222%0.219SC..THydrogen-bonded Turntrans52.926.3-174.3-55.5-42.4000114.7Y46 P47 H49 P126 H127 V217 S218Y46-Y220 AromaticContact CD1-CD1 3.59Å; Y46-Y220 HydrophobicContact CD1-CD1 3.59Å; Y46-Y220 AromaticContact CD1-CD2 3.9Å; Y46-Y220 HydrophobicContact CD1-CD2 3.9Å; Y46-Y220 AromaticContact CD1-CE1 3.35Å; Y46-Y220 HydrophobicContact CD1-CE1 3.35Å; Y46-Y220 AromaticContact CD1-CE2 3.71Å; Y46-Y220 HydrophobicContact CD1-CE2 3.71Å; Y46-Y220 AromaticContact CD1-CG 3.88Å; Y46-Y220 HydrophobicContact CD1-CG 3.88Å; Y46-Y220 AromaticContact CD1-CZ 3.43Å; Y46-Y220 VanDerWaalsContact CD1-CZ 3.43Å; Y46-Y220 HydrophobicContact CE1-CD1 4.16Å; Y46-Y220 AromaticContact CE1-CE1 3.65Å; Y46-Y220 HydrophobicContact CE1-CE1 3.65Å; Y46-Y220 AromaticContact CE1-CZ 3.92Å; Y46-Y220 HydrophobicContact CG-CD1 4.02Å; Y46-Y220 HydrophobicContact CG-CD2 4.21Å; Y46-Y220 HydrophobicContact CG-CE1 4.24Å; Y46-Y220 HydrophobicContact CG-CE2 4.45Å; Y46-Y220 HydrophobicContact CG-CG 4.04Å; P47-Y220 HydrophobicContact CG-CD2 4.32Å; P47-Y220 HydrophobicContact CG-CE2 4.15Å; H49-Y220 AromaticContact CD2-CD2 3.56Å; H49-Y220 AromaticContact CD2-CE2 3.75Å; H49-Y220 AromaticContact NE2-CE2 3.86Å; P126-Y220 WeakPolarHBondContact CD-O 3.43Å; H127-Y220 PolarHBondContact ND1-O 2.9Å; V217-Y220 WeakPolarHBondContact O-CD1 3.34Å; V217-Y220 PolarHBondContact O-N 3.44Å; V217-Y220 VanDerWaalsContact O-N 3.1Å; S218-Y220 PolarHBondContact O-N 3.1Å
221K97.3Very high98.1Very high11 Ų1142.4 Ų42.45%0.04821%0.209CC..SBendtrans-79.4-28.6179.6-61.3-57179-173.60112.8H49 S51 R125 R216 D219H49-K221 WeakPolarHBondContact O-CE 3.25Å; H49-K221 PolarHBondContact O-NZ 3.23Å; S51-K221 WeakPolarHBondContact OG-CE 3.48Å; R125-K221 WeakPolarHBondContact CD-O 3.28Å; R125-K221 VanDerWaalsContact CG-O 3.26Å; R125-K221 WeakPolarHBondContact CG-O 3.4Å; R125-K221 PolarHBondContact NE-O 2.93Å; R216-K221 HydrophobicContact CB-CB 4.47Å; R216-K221 PolarHBondContact O-N 3.33Å; D219-K221 HydrophobicContact CB-CG 3.79Å; D219-K221 PolarHBondContact O-N 2.93Å
222H98.1Very high98.1Very high3 Ų341.5 Ų41.51%0.01421%0.213CC..SBendtrans-148.3152.4-173.9-72.4-75000110.9S165 S168 R216 D226 V227S165-H222 PolarHBondContact O-CE1 2.74Å; S165-H222 PolarHBondContact O-ND1 2.85Å; S168-H222 PolarHBondContact OG-CD2 2.89Å; S168-H222 PolarHBondContact OG-NE2 2.72Å; S168-H222 VanDerWaalsContact OG-NE2 3.15Å; R216-H222 HydrophobicContact CB-CB 4.14Å; R216-H222 PolarHBondContact O-N 2.98Å; R216-H222 VanDerWaalsContact O-N 3.13Å; H222-D226 HydrophobicContact CB-CB 4.06Å; H222-V227 HydrophobicContact CB-CG2 3.88Å
223H98.2Very high98.1Very high25 Ų2542 Ų4212%0.11621%0.214CC..  trans-70.3154.5166.9-60.583000109.8R123 L124 S225 D226 V227R123-H223 PolarHBondContact NE-ND1 2.85Å; R123-H223 PolarHBondContact NH2-CD2 2.98Å; L124-H223 PolarHBondContact O-CE1 3.36Å; L124-H223 VanDerWaalsContact O-CE1 3.24Å; H223-S225 PolarHBondContact O-N 3.16Å; H223-D226 WeakPolarHBondContact CB-OD2 3.25Å; H223-D226 IonicContact CG-OD2 3.44Å; H223-D226 PolarHBondContact N-OD2 3.1Å; H223-D226 IonicContact ND1-OD2 3.7Å; H223-D226 PolarHBondContact ND1-OD2 3.34Å; H223-D226 WeakPolarHBondContact O-CB 3.22Å; H223-D226 PolarHBondContact O-N 3.24Å; H223-V227 PolarHBondContact O-N 3.05Å; H223-V227 VanDerWaalsContact O-N 3.1Å
224W97.7Very high98.1Very high180 Ų18042 Ų4268%0.68221%0.214SC*.Hα-helixtrans-56.3-34.8176.770.5-96.8000112.2V217 V227 L228V217-W224 HydrophobicContact CG2-CB 4.46Å; W224-V227 PolarHBondContact O-N 2.79Å; W224-L228 HydrophobicContact CZ3-CD2 3.96Å; W224-L228 PolarHBondContact O-N 3.38Å
225S98.1Very high98.1Very high30 Ų3038 Ų3821%0.2120%0.197CC..Hα-helixtrans-69-38.117750.70000112.5R123 H223 V227 L228 T229R123-S225 PolarHBondContact NH1-OG 2.97Å; H223-S225 PolarHBondContact O-N 3.16Å; S225-V227 PolarHBondContact O-N 3.42Å; S225-L228 PolarHBondContact O-N 3.4Å; S225-T229 WeakPolarHBondContact O-CB 3.45Å; S225-T229 PolarHBondContact O-N 3.22Å; S225-T229 PolarHBondContact O-OG1 3.37Å; S225-T229 VanDerWaalsContact O-OG1 3.09Å
226D98.3Very high98.2Very high0 Ų039.3 Ų39.30%021%0.21CC..Hα-helixtrans-61.9-37.1173.7-56.1-27.3000110.9R123 S165 F166 Y167 S168 H222 H223 G230R123-D226 WeakPolarHBondContact CD-OD1 3.39Å; R123-D226 IonicContact CZ-OD1 2.68Å; R123-D226 IonicContact NE-OD1 2.72Å; R123-D226 IonicContact NH1-OD1 3.67Å; R123-D226 PolarHBondContact NH1-OD1 3.32Å; R123-D226 IonicContact NH1-OD2 3.18Å; S165-D226 WeakPolarHBondContact CB-OD2 3.1Å; S165-D226 PolarHBondContact OG-OD2 2.85Å; F166-D226 WeakPolarHBondContact CD2-OD1 3.46Å; Y167-D226 WeakPolarHBondContact CB-O 3.49Å; S168-D226 PolarHBondContact N-O 3.32Å; H222-D226 HydrophobicContact CB-CB 4.06Å; H223-D226 WeakPolarHBondContact CB-OD2 3.25Å; H223-D226 IonicContact CG-OD2 3.44Å; H223-D226 PolarHBondContact N-OD2 3.1Å; H223-D226 IonicContact ND1-OD2 3.7Å; H223-D226 PolarHBondContact ND1-OD2 3.34Å; H223-D226 WeakPolarHBondContact O-CB 3.22Å; H223-D226 PolarHBondContact O-N 3.24Å; D226-G230 PolarHBondContact O-N 3.1Å; D226-G230 VanDerWaalsContact O-N 3.13Å
227V98.6Very high98.2Very high8 Ų840.6 Ų40.65%0.04822%0.216CC..Hα-helixtrans-69.5-48.7177.2167.80000110.7S171 G213 R216 V217 H222 H223 W224 S225 G230 L231S171-V227 WeakPolarHBondContact CB-O 3.25Å; G213-V227 WeakPolarHBondContact O-CG1 3.28Å; G213-V227 WeakPolarHBondContact O-CG2 3.15Å; R216-V227 HydrophobicContact CB-CG2 3.87Å; V217-V227 HydrophobicContact CG2-CB 4.26Å; V217-V227 HydrophobicContact CG2-CG2 3.76Å; H222-V227 HydrophobicContact CB-CG2 3.88Å; H223-V227 PolarHBondContact O-N 3.05Å; H223-V227 VanDerWaalsContact O-N 3.1Å; W224-V227 PolarHBondContact O-N 2.79Å; S225-V227 PolarHBondContact O-N 3.42Å; V227-G230 PolarHBondContact O-N 3.35Å; V227-L231 HydrophobicContact CG1-CD1 4.25Å; V227-L231 HydrophobicContact CG1-CG 4.49Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.12Å
228L98.5Very high98.2Very high83 Ų8338.1 Ų38.144%0.43520%0.201SC..Hα-helixtrans-59.7-48.6179.3178.861.4000111.8W224 S225 G230 L231 L232W224-L228 HydrophobicContact CZ3-CD2 3.96Å; W224-L228 PolarHBondContact O-N 3.38Å; S225-L228 PolarHBondContact O-N 3.4Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 3.43Å; L228-L231 PolarHBondContact O-N 2.98Å; L228-L232 HydrophobicContact CD1-CD1 4.29Å; L228-L232 HydrophobicContact CD1-CG 4.29Å; L228-L232 HydrophobicContact CG-CD1 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.11Å; L228-L232 PolarHBondContact O-N 3.26Å
229T98.4Very high98.2Very high47 Ų4738 Ų3829%0.28820%0.195SC..Hα-helixtrans-60.3-40.1176.3-58.30000111.3F166 Y167 S225 L232 Q233F166-T229 HydrophobicContact CE2-CG2 4.38Å; F166-T229 HydrophobicContact CZ-CG2 3.91Å; Y167-T229 HydrophobicContact CD1-CG2 3.68Å; Y167-T229 HydrophobicContact CE1-CG2 4.43Å; Y167-T229 HydrophobicContact CG-CG2 3.87Å; S225-T229 WeakPolarHBondContact O-CB 3.45Å; S225-T229 PolarHBondContact O-N 3.22Å; S225-T229 PolarHBondContact O-OG1 3.37Å; S225-T229 VanDerWaalsContact O-OG1 3.09Å; T229-L232 PolarHBondContact O-N 3.41Å; T229-Q233 VanDerWaalsContact O-CB 3.29Å; T229-Q233 WeakPolarHBondContact O-CB 3.43Å; T229-Q233 PolarHBondContact O-N 3.03Å
230G98.6Very high98.1Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-60.3-49.1174.700000112.4S172 D226 V227 L228 L232 Q233 G234S172-G230 WeakPolarHBondContact CA-O 3.22Å; S172-G230 WeakPolarHBondContact CB-O 3.36Å; D226-G230 PolarHBondContact O-N 3.1Å; D226-G230 VanDerWaalsContact O-N 3.13Å; V227-G230 PolarHBondContact O-N 3.35Å; L228-G230 VanDerWaalsContact C-N 3.28Å; L228-G230 PolarHBondContact O-N 3.43Å; G230-L232 PolarHBondContact O-N 3.31Å; G230-Q233 PolarHBondContact O-N 3.41Å; G230-G234 PolarHBondContact O-N 3.45Å
231L98.7Very high98.1Very high29 Ų2938.3 Ų38.315%0.15220%0.201CC..Hα-helixtrans-59.7-47.3177.1-64.9175.9000111.4M175 V227 L228 Q233 G234 A235M175-L231 HydrophobicContact CB-CD2 3.94Å; M175-L231 HydrophobicContact CE-CB 4.39Å; M175-L231 HydrophobicContact CE-CD2 3.82Å; M175-L231 VanDerWaalsContact CG-O 3.28Å; M175-L231 WeakPolarHBondContact CG-O 3.49Å; V227-L231 HydrophobicContact CG1-CD1 4.25Å; V227-L231 HydrophobicContact CG1-CG 4.49Å; V227-L231 WeakPolarHBondContact O-CG 3.47Å; V227-L231 PolarHBondContact O-N 3.12Å; L228-L231 PolarHBondContact O-N 2.98Å; L231-Q233 VanDerWaalsContact C-N 3.35Å; L231-Q233 PolarHBondContact O-N 2.97Å; L231-G234 PolarHBondContact O-N 2.97Å; L231-A235 VanDerWaalsContact O-CB 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å
232L98.6Very high97.9Very high116 Ų11637.8 Ų37.861%0.60720%0.199SC*.Hα-helixtrans-61.2-42.7178.6-70.8175.3000112.1L228 T229 G230 A235 G236L228-L232 HydrophobicContact CD1-CD1 4.29Å; L228-L232 HydrophobicContact CD1-CG 4.29Å; L228-L232 HydrophobicContact CG-CD1 4.17Å; L228-L232 WeakPolarHBondContact O-CG 3.11Å; L228-L232 PolarHBondContact O-N 3.26Å; T229-L232 PolarHBondContact O-N 3.41Å; G230-L232 PolarHBondContact O-N 3.31Å; L232-A235 PolarHBondContact O-N 3.24Å; L232-G236 PolarHBondContact O-N 2.95Å
233Q98.4Very high97.7Very high26 Ų2642.4 Ų42.412%0.12122%0.219CC..Hα-helixtrans-65.6-46.3178.1-178.4-85.6-48.100111.8S110 L113 T114 Y167 T229 G230 L231 A235 G236 M237S110-Q233 PolarHBondContact OG-NE2 3.45Å; S110-Q233 PolarHBondContact OG-OE1 3.2Å; L113-Q233 HydrophobicContact CD2-CG 3.9Å; T114-Q233 PolarHBondContact OG1-OE1 3.18Å; Y167-Q233 HydrophobicContact CE2-CB 4.04Å; Y167-Q233 HydrophobicContact CE2-CG 4Å; Y167-Q233 WeakPolarHBondContact OH-CG 3.25Å; Y167-Q233 PolarHBondContact OH-OE1 2.57Å; T229-Q233 VanDerWaalsContact O-CB 3.29Å; T229-Q233 WeakPolarHBondContact O-CB 3.43Å; T229-Q233 PolarHBondContact O-N 3.03Å; G230-Q233 PolarHBondContact O-N 3.41Å; L231-Q233 VanDerWaalsContact C-N 3.35Å; L231-Q233 PolarHBondContact O-N 2.97Å; Q233-A235 VanDerWaalsContact C-N 3.31Å; Q233-A235 PolarHBondContact O-N 3.35Å; Q233-G236 PolarHBondContact O-N 2.68Å; Q233-M237 PolarHBondContact O-N 3.06Å
234G98.6Very high97.4Very high0 Ų048.9 Ų48.90%025%0.247CC..Hα-helixtrans-60.6-42.2176.900000111.9S172 G230 L231 M237 A238S172-G234 WeakPolarHBondContact O-CA 3.4Å; G230-G234 PolarHBondContact O-N 3.45Å; L231-G234 PolarHBondContact O-N 2.97Å; G234-M237 PolarHBondContact O-N 3.09Å; G234-A238 PolarHBondContact O-N 2.05Å
235A98.7Very high97Very high21 Ų2144.1 Ų44.117%0.17423%0.234CC..Hα-helixtrans-63.7-48.4175.600000111.7M175 L179 L231 L232 Q233 M237 A238 L239M175-A235 HydrophobicContact CG-CB 3.84Å; M175-A235 HydrophobicContact SD-CB 4.44Å; L179-A235 HydrophobicContact CD2-CB 3.77Å; L231-A235 VanDerWaalsContact O-CB 3.32Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 2.9Å; L232-A235 PolarHBondContact O-N 3.24Å; Q233-A235 VanDerWaalsContact C-N 3.31Å; Q233-A235 PolarHBondContact O-N 3.35Å; A235-M237 VanDerWaalsContact C-N 3.32Å; A235-M237 PolarHBondContact O-N 3.06Å; A235-A238 PolarHBondContact O-N 3.32Å; A235-L239 VanDerWaalsContact O-CG 3.3Å; A235-L239 WeakPolarHBondContact O-CG 3.28Å; A235-L239 PolarHBondContact O-N 3.39Å
236G98.5Very high96.5Very high29 Ų2942.9 Ų42.930%0.29923%0.225SC..Hα-helixtrans-56.7-44.6176.800000112.1L232 Q233 L239 L240L232-G236 PolarHBondContact O-N 2.95Å; Q233-G236 PolarHBondContact O-N 2.68Å; G236-L239 PolarHBondContact O-N 3.18Å; G236-L240 WeakPolarHBondContact O-CB 3.48Å; G236-L240 VanDerWaalsContact O-CG 3.27Å; G236-L240 WeakPolarHBondContact O-CG 3.35Å; G236-L240 PolarHBondContact O-N 3.05Å
237M98.1Very high95.8Very high29 Ų2946.6 Ų46.614%0.14325%0.245CC..Hα-helixtrans-65.6-41.8177.5-170.361.172.900112.3M109 Y176 Q233 G234 A235 L239 L240 V241M109-M237 HydrophobicContact CB-CE 4.22Å; M109-M237 HydrophobicContact CB-SD 4.31Å; Y176-M237 HydrophobicContact CD2-CB 4Å; Y176-M237 HydrophobicContact CD2-CG 3.94Å; Y176-M237 HydrophobicContact CE2-CB 4.44Å; Y176-M237 HydrophobicContact CE2-CG 3.97Å; Q233-M237 PolarHBondContact O-N 3.06Å; G234-M237 PolarHBondContact O-N 3.09Å; A235-M237 VanDerWaalsContact C-N 3.32Å; A235-M237 PolarHBondContact O-N 3.06Å; M237-L239 PolarHBondContact O-N 2.96Å; M237-L240 PolarHBondContact O-N 2.72Å; M237-V241 HydrophobicContact CG-CG2 4.21Å; M237-V241 WeakPolarHBondContact O-CB 3.48Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 3.04Å; M237-V241 HydrophobicContact SD-CG2 4.08Å
238A98.1Very high95.1Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-62-43.7176.700000111.6Y176 L179 F180 G234 A235 V241 V242Y176-A238 HydrophobicContact CD2-CB 3.9Å; Y176-A238 HydrophobicContact CE2-CB 4.23Å; L179-A238 HydrophobicContact CB-CB 4.1Å; L179-A238 HydrophobicContact CD2-CB 4.07Å; L179-A238 HydrophobicContact CG-CB 4.11Å; F180-A238 HydrophobicContact CB-CB 4.37Å; G234-A238 PolarHBondContact O-N 2.05Å; A235-A238 PolarHBondContact O-N 3.32Å; A238-V241 PolarHBondContact O-N 3.29Å; A238-V242 VanDerWaalsContact O-CB 3.27Å; A238-V242 WeakPolarHBondContact O-CB 3.49Å; A238-V242 VanDerWaalsContact O-CG2 3.23Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 2.04Å
239L97.7Very high94.3Very high74 Ų7446.6 Ų46.639%0.38724%0.241SC..Hα-helixtrans-61.7-46.7175.2-65.5170.9000111.3L179 L183 A235 G236 M237 V241 V242 F243L179-L239 HydrophobicContact CD2-CG 4.34Å; L183-L239 HydrophobicContact CD1-CD2 4.05Å; A235-L239 VanDerWaalsContact O-CG 3.3Å; A235-L239 WeakPolarHBondContact O-CG 3.28Å; A235-L239 PolarHBondContact O-N 3.39Å; G236-L239 PolarHBondContact O-N 3.18Å; M237-L239 PolarHBondContact O-N 2.96Å; L239-V241 PolarHBondContact O-N 3.5Å; L239-V242 PolarHBondContact O-N 3.48Å; L239-F243 HydrophobicContact CB-CD2 4.3Å; L239-F243 HydrophobicContact CD2-CD2 4.16Å; L239-F243 HydrophobicContact CD2-CE2 3.63Å; L239-F243 WeakPolarHBondContact O-CB 3.43Å; L239-F243 VanDerWaalsContact O-CD2 3.25Å; L239-F243 WeakPolarHBondContact O-CD2 3.33Å; L239-F243 PolarHBondContact O-N 3.33Å
240L96.5Very high93.3Very high92 Ų9250.4 Ų50.448%0.48225%0.254SS..Hα-helixtrans-58.9-49.7178.8-74.6173.3000111.6G236 M237 F244G236-L240 WeakPolarHBondContact O-CB 3.48Å; G236-L240 VanDerWaalsContact O-CG 3.27Å; G236-L240 WeakPolarHBondContact O-CG 3.35Å; G236-L240 PolarHBondContact O-N 3.05Å; M237-L240 PolarHBondContact O-N 2.72Å; L240-F244 HydrophobicContact CD2-CD2 3.97Å; L240-F244 HydrophobicContact CD2-CE2 3.99Å; L240-F244 WeakPolarHBondContact O-CB 3.37Å; L240-F244 WeakPolarHBondContact O-CD2 3.04Å; L240-F244 PolarHBondContact O-N 2.92Å
241V95.6Very high90.9Very high1 Ų156.3 Ų56.31%0.00629%0.29CS..Iπ-helixtrans-66-44.8-178.2178.10000110.6T102 Y176 F180 M237 A238 L239 I245 S246T102-V241 WeakPolarHBondContact O-CG1 3.11Å; Y176-V241 HydrophobicContact CE2-CG2 4.29Å; F180-V241 HydrophobicContact CD2-CG1 4.45Å; F180-V241 HydrophobicContact CE2-CB 4.46Å; F180-V241 HydrophobicContact CE2-CG1 3.78Å; M237-V241 HydrophobicContact CG-CG2 4.21Å; M237-V241 WeakPolarHBondContact O-CB 3.48Å; M237-V241 WeakPolarHBondContact O-CG2 3.48Å; M237-V241 PolarHBondContact O-N 3.04Å; M237-V241 HydrophobicContact SD-CG2 4.08Å; A238-V241 PolarHBondContact O-N 3.29Å; L239-V241 PolarHBondContact O-N 3.5Å; V241-I245 HydrophobicContact CB-CD1 4.43Å; V241-I245 HydrophobicContact CG1-CB 4.38Å; V241-I245 HydrophobicContact CG1-CD1 4.44Å; V241-I245 HydrophobicContact CG2-CD1 4.14Å; V241-I245 CarbonylContact O-C 3.03Å; V241-I245 WeakPolarHBondContact O-CA 3.04Å; V241-I245 VanDerWaalsContact O-CB 3.29Å; V241-I245 WeakPolarHBondContact O-CB 3.19Å; V241-I245 PolarHBondContact O-N 3.11Å; V241-I245 VanDerWaalsContact O-N 3.09Å; V241-S246 PolarHBondContact O-N 3.14Å
242V95Very high88.4Confident1 Ų159 Ų591%0.00631%0.308CS..Iπ-helixtrans-67.7-44.8-177.8168.30000111.9F180 L183 A238 L239 S246 F248 F249F180-V242 HydrophobicContact CD2-CG2 3.6Å; F180-V242 HydrophobicContact CE2-CG2 3.74Å; F180-V242 HydrophobicContact CG-CG2 4.2Å; F180-V242 HydrophobicContact CZ-CG2 4.43Å; L183-V242 HydrophobicContact CB-CG1 4.07Å; L183-V242 HydrophobicContact CB-CG2 4.15Å; L183-V242 HydrophobicContact CD1-CB 4.04Å; L183-V242 HydrophobicContact CD1-CG1 4.11Å; L183-V242 HydrophobicContact CD1-CG2 3.9Å; A238-V242 VanDerWaalsContact O-CB 3.27Å; A238-V242 WeakPolarHBondContact O-CB 3.49Å; A238-V242 VanDerWaalsContact O-CG2 3.23Å; A238-V242 WeakPolarHBondContact O-CG2 3.39Å; A238-V242 PolarHBondContact O-N 2.04Å; L239-V242 PolarHBondContact O-N 3.48Å; V242-S246 WeakPolarHBondContact O-CB 2.9Å; V242-S246 PolarHBondContact O-OG 2.93Å; V242-F248 HydrophobicContact CG1-CD2 4.42Å; V242-F249 HydrophobicContact CG1-CD2 3.71Å; V242-F249 HydrophobicContact CG1-CE2 3.48Å; V242-F249 VanDerWaalsContact CG1-CE2 3.48Å
243F93.5Very high85.5Confident100 Ų10060 Ų6044%0.43931%0.309SS..Iπ-helixtrans-86.8-30.1-173-70.2-66000114.1L183 L239 F249L183-F243 HydrophobicContact CD2-CZ 4.39Å; L239-F243 HydrophobicContact CB-CD2 4.3Å; L239-F243 HydrophobicContact CD2-CD2 4.16Å; L239-F243 HydrophobicContact CD2-CE2 3.63Å; L239-F243 WeakPolarHBondContact O-CB 3.43Å; L239-F243 VanDerWaalsContact O-CD2 3.25Å; L239-F243 WeakPolarHBondContact O-CD2 3.33Å; L239-F243 PolarHBondContact O-N 3.33Å; F243-F249 HydrophobicContact CD1-CD2 4.28Å; F243-F249 AromaticContact CE1-CD2 3.88Å; F243-F249 HydrophobicContact CE1-CD2 3.88Å; F243-F249 HydrophobicContact CE1-CE2 4.2Å; F243-F249 HydrophobicContact CE1-CG 4.23Å; F243-F249 HydrophobicContact CZ-CE2 4.5Å
244F91.3Very high82.6Confident161 Ų16164.5 Ų64.571%0.70634%0.342SS*.Iπ-helixtrans-106.1-26-175.9-62.3-87000114L240L240-F244 HydrophobicContact CD2-CD2 3.97Å; L240-F244 HydrophobicContact CD2-CE2 3.99Å; L240-F244 WeakPolarHBondContact O-CB 3.37Å; L240-F244 WeakPolarHBondContact O-CD2 3.04Å; L240-F244 PolarHBondContact O-N 2.92Å
245I89.4Confident79.5Confident79 Ų7972.9 Ų72.941%0.40537%0.374SS..Iπ-helixtrans-105.4-42.7-176.4-50.5-177.3000111.1T102 F105 V241T102-I245 HydrophobicContact CG2-CG2 4.21Å; F105-I245 HydrophobicContact CD1-CD1 4.14Å; F105-I245 HydrophobicContact CE1-CD1 3.65Å; V241-I245 HydrophobicContact CB-CD1 4.43Å; V241-I245 HydrophobicContact CG1-CB 4.38Å; V241-I245 HydrophobicContact CG1-CD1 4.44Å; V241-I245 HydrophobicContact CG2-CD1 4.14Å; V241-I245 CarbonylContact O-C 3.03Å; V241-I245 WeakPolarHBondContact O-CA 3.04Å; V241-I245 VanDerWaalsContact O-CB 3.29Å; V241-I245 WeakPolarHBondContact O-CB 3.19Å; V241-I245 PolarHBondContact O-N 3.11Å; V241-I245 VanDerWaalsContact O-N 3.09Å
246S88.4Confident76.3Confident4 Ų478.5 Ų78.53%0.02839%0.394CS..  trans-80.4154.8-178.397.70000112.6V241 V242 F248V241-S246 PolarHBondContact O-N 3.14Å; V242-S246 WeakPolarHBondContact O-CB 2.9Å; V242-S246 PolarHBondContact O-OG 2.93Å; S246-F248 VanDerWaalsContact C-N 3.35Å; S246-F248 WeakPolarHBondContact OG-CB 3.44Å; S246-F248 WeakPolarHBondContact OG-CD2 3.38Å; S246-F248 VanDerWaalsContact OG-CG 3.27Å; S246-F248 WeakPolarHBondContact OG-CG 3.42Å; S246-F248 PolarHBondContact OG-N 3.48Å
247D83.3Confident73.3Confident78 Ų7884.9 Ų84.942%0.41742%0.416SS..  trans-96.316.8172.3-62-35.5000112.1K98 F249 K250K98-D247 IonicContact NZ-OD2 3.8Å; D247-F249 VanDerWaalsContact C-N 3.35Å; D247-F249 PolarHBondContact O-N 3.1Å; D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 WeakPolarHBondContact OD1-CD 3.45Å; D247-K250 WeakPolarHBondContact OD1-CE 3.45Å; D247-K250 IonicContact OD1-NZ 3.84Å; D247-K250 PolarHBondContact OD1-NZ 3.09Å
248F83.7Confident70.6Confident16 Ų1690.5 Ų90.57%0.0744%0.444CS..SBendtrans-61.6-40.1-172.3-67.7-15.4000113.5A99 F180 Y184 A187 R188 V242 S246A99-F248 HydrophobicContact CB-CE1 3.87Å; A99-F248 HydrophobicContact CB-CZ 3.94Å; F180-F248 AromaticContact CE1-CE2 3.62Å; F180-F248 HydrophobicContact CE1-CE2 3.62Å; F180-F248 HydrophobicContact CE1-CZ 4.05Å; F180-F248 HydrophobicContact CE2-CE2 4.4Å; F180-F248 AromaticContact CZ-CE2 3.5Å; F180-F248 HydrophobicContact CZ-CE2 3.5Å; F180-F248 VanDerWaalsContact CZ-CE2 3.5Å; F180-F248 AromaticContact CZ-CZ 3.9Å; F180-F248 HydrophobicContact CZ-CZ 3.9Å; Y184-F248 HydrophobicContact CD2-CD2 4.26Å; Y184-F248 HydrophobicContact CD2-CE1 4.12Å; Y184-F248 AromaticContact CD2-CE2 3.8Å; Y184-F248 HydrophobicContact CD2-CE2 3.8Å; Y184-F248 AromaticContact CD2-CZ 3.73Å; Y184-F248 HydrophobicContact CD2-CZ 3.73Å; Y184-F248 HydrophobicContact CE2-CE1 4.37Å; Y184-F248 HydrophobicContact CE2-CZ 4.32Å; A187-F248 HydrophobicContact CB-CB 3.75Å; R188-F248 PolarHBondContact NH1-O 3.04Å; V242-F248 HydrophobicContact CG1-CD2 4.42Å; S246-F248 VanDerWaalsContact C-N 3.35Å; S246-F248 WeakPolarHBondContact OG-CB 3.44Å; S246-F248 WeakPolarHBondContact OG-CD2 3.38Å; S246-F248 VanDerWaalsContact OG-CG 3.27Å; S246-F248 WeakPolarHBondContact OG-CG 3.42Å; S246-F248 PolarHBondContact OG-N 3.48Å
249F82.1Confident67.6Low76 Ų7695.9 Ų95.933%0.33347%0.473SS..SBendtrans-1040.5-178.1-67.7-81.2000113.8L183 Q186 A187 V242 F243 D247 T251L183-F249 HydrophobicContact CB-CE2 4.41Å; L183-F249 WeakPolarHBondContact O-CZ 3.23Å; Q186-F249 HydrophobicContact CB-CE1 4.32Å; Q186-F249 HydrophobicContact CB-CZ 3.93Å; Q186-F249 HydrophobicContact CG-CE1 3.87Å; Q186-F249 HydrophobicContact CG-CZ 3.88Å; A187-F249 HydrophobicContact CB-CD1 4.38Å; A187-F249 HydrophobicContact CB-CE1 4.02Å; A187-F249 HydrophobicContact CB-CE2 4.14Å; A187-F249 HydrophobicContact CB-CZ 3.9Å; V242-F249 HydrophobicContact CG1-CD2 3.71Å; V242-F249 HydrophobicContact CG1-CE2 3.48Å; V242-F249 VanDerWaalsContact CG1-CE2 3.48Å; F243-F249 HydrophobicContact CD1-CD2 4.28Å; F243-F249 AromaticContact CE1-CD2 3.88Å; F243-F249 HydrophobicContact CE1-CD2 3.88Å; F243-F249 HydrophobicContact CE1-CE2 4.2Å; F243-F249 HydrophobicContact CE1-CG 4.23Å; F243-F249 HydrophobicContact CZ-CE2 4.5Å; D247-F249 VanDerWaalsContact C-N 3.35Å; D247-F249 PolarHBondContact O-N 3.1Å; F249-T251 PolarHBondContact O-N 3.08Å; F249-T251 VanDerWaalsContact O-N 3.17Å
250K77.1Confident64.7Low127 Ų12798.6 Ų98.655%0.55249%0.486SS*.  trans-76106.4174.8-65.9-175.3-1661580108.7D247 T252D247-K250 PolarHBondContact O-N 3.25Å; D247-K250 WeakPolarHBondContact OD1-CD 3.45Å; D247-K250 WeakPolarHBondContact OD1-CE 3.45Å; D247-K250 IonicContact OD1-NZ 3.84Å; D247-K250 PolarHBondContact OD1-NZ 3.09Å; K250-T252 PolarHBondContact O-N 2.89Å; K250-T252 VanDerWaalsContact O-N 3.16Å
251T47.8Very low61.8Low124 Ų12498.5 Ų98.576%0.76149%0.491SS*.  trans-65.6110.4176.1-39.40000109.5F249 E253F249-T251 PolarHBondContact O-N 3.08Å; F249-T251 VanDerWaalsContact O-N 3.17Å; T251-E253 PolarHBondContact O-N 3.25Å
252T45.8Very low59.4Low86 Ų86108 Ų10853%0.52854%0.535SS..SBendtrans56.456146.2-43.30000117.4K250 R255K250-T252 PolarHBondContact O-N 2.89Å; K250-T252 VanDerWaalsContact O-N 3.16Å; T252-R255 HydrophobicContact CG2-CB 3.52Å; T252-R255 HydrophobicContact CG2-CG 4.45Å
253E37.1Very low56.9Low137 Ų137113.6 Ų113.664%0.6457%0.569SS**SBendtrans-95.7-27.2155.8-76.2-77.2127.900110.9T251 R255 K256T251-E253 PolarHBondContact O-N 3.25Å; E253-R255 PolarHBondContact O-N 2.68Å; E253-K256 PolarHBondContact O-N 3.1Å; E253-K256 VanDerWaalsContact O-N 3.13Å; E253-K256 IonicContact OE1-NZ 3.97Å
254C37.4Very low54.6Low120 Ų120115 Ų11581%0.81159%0.586SS**THydrogen-bonded Turntrans-68.7-3.6176.7-152.40000114.3
255R34.9Very low52.4Low176 Ų176115.5 Ų115.566%0.66460%0.596SS**THydrogen-bonded Turntrans-93.8-27.2172.4-167.8156.6-173.6169.11.4113T252 E253T252-R255 HydrophobicContact CG2-CB 3.52Å; T252-R255 HydrophobicContact CG2-CG 4.45Å; E253-R255 PolarHBondContact O-N 2.68Å
256K31.2Very low50.3Low139 Ų139120.7 Ų120.760%0.60462%0.618SS**THydrogen-bonded Turntrans-74.5-31.7179.4-86.4-178.9-178.91660113.1E253 M258 D259E253-K256 PolarHBondContact O-N 3.1Å; E253-K256 VanDerWaalsContact O-N 3.13Å; E253-K256 IonicContact OE1-NZ 3.97Å; K256-M258 PolarHBondContact O-N 3.28Å; K256-D259 PolarHBondContact O-N 3.09Å
257E35.6Very low47.9Very low162 Ų162129.5 Ų129.576%0.75766%0.659SS**THydrogen-bonded Turntrans-74.9-15.9-179.6-158.2152.8179.500112.9
258M40.9Very low45.7Very low148 Ų148132.4 Ų132.473%0.72968%0.68SS**THydrogen-bonded Turntrans-90.1-7.5173.1-139166.568.700113.1K256K256-M258 PolarHBondContact O-N 3.28Å
259D35.4Very low43.6Very low112 Ų112137.4 Ų137.460%0.59971%0.714SS**  trans-986177.1-75.8-27.3000112.5K256 P261K256-D259 PolarHBondContact O-N 3.09Å; D259-P261 WeakPolarHBondContact O-CD 3.41Å
260I36.8Very low41.7Very low131 Ų131140.2 Ų140.267%0.67274%0.737SS**SBendtrans-78.2103.8163.7-54.9178.5000106.5H262I260-H262 PolarHBondContact O-N 3.16Å
261P35.4Very low39.8Very low91 Ų91141.9 Ų141.959%0.59175%0.752SS**  trans-73.1134-172.7-7.426.1000108.9D259 T263D259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-T263 PolarHBondContact O-N 3.47Å
262H45.3Very low39.3Very low200 Ų200139 Ų13993%0.92675%0.747SS**SBendtrans-63.274.4157.4-79.1-78.7000109.5I260I260-H262 PolarHBondContact O-N 3.16Å
263T42.8Very low39Very low118 Ų118142.3 Ų142.372%0.72476%0.761SS**  trans-138.745.2168.939.30000111.3P261P261-T263 PolarHBondContact O-N 3.47Å
264T45Very low39.1Very low129 Ų129145.1 Ų145.179%0.79177%0.774SS**SBendtrans-134.3130.5155.543.40000107.8
265L44.5Very low39.4Very low173 Ų173148.7 Ų148.791%0.90678%0.776SS**SBendtrans93.651.8-179.5-51.7170.7000117
266Q46.8Very low39.4Very low188 Ų188149.3 Ų149.388%0.87979%0.786SS**  trans-156.575.4143.2-145.9171.1-6.200113.6
267E37.9Very low39.6Very low188 Ų188147.8 Ų147.888%0.87979%0.793SS**  trans-147.5106146.6-76.8-155.2165.600110.1
268T36.2Very low40.6Very low140 Ų140145.2 Ų145.286%0.85979%0.791SS**  trans-148.7106.7149.1-38.60000106.6
269P39.1Very low40.4Very low121 Ų121149.2 Ų149.279%0.78682%0.815SS**  trans-83.6125.5173.419.5-7.9000109.7
270T42.7Very low40.7Very low135 Ų135151.1 Ų151.183%0.82883%0.826SS**  trans-74.6128156.7370000108.8
271N36.4Very low40.9Very low162 Ų162152.1 Ų152.187%0.86683%0.834SS**  164.1125.3106.4-132.94.7000113.2
272G38.3Very low41.2Very low62 Ų62155.5 Ų155.564%0.63985%0.847SS**  64.7105.5123.100000122.8
273N38.6Very low41Very low156 Ų156152.9 Ų152.983%0.83484%0.843SS**  trans50.6125.2133.4-60.7-5.7000122
274H39.8Very low40.8Very low196 Ų196155.1 Ų155.191%0.90785%0.85SS**  -161.6137.3118-108.2-79.6000112
275F43.6Very low40.6Very low196 Ų196156.8 Ų156.886%0.8685%0.854SS**  trans-62.1143.4171.1-107.2-106000112
276E35.5Very low40.3Very low188 Ų188155.6 Ų155.688%0.87985%0.85SS**  -179.1129.7116-101.5179.1162.800111.4
277S36Very low39.8Very low107 Ų107153.2 Ų153.275%0.74885%0.848SS**  trans-94.7147.4152.8-159.50000105.2
278P56.4Low39.9Very low108 Ų108150.3 Ų150.370%0.70185%0.846SS**  -153.7169.676.536.9-15.6000117.4
279N36.7Very low40.3Very low232 Ų232151.2 Ų151.2100%1.24184%0.844SS**  trans90.20163.6-61.1-12.8000117.9

Retrieved 279 of 279 residues in 256.4 ms (Link to these results)

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