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Probable protein kinase UbiB

Is probably a protein kinase regulator of UbiI activity which is involved in aerobic coenzyme Q (ubiquinone) biosynthesis.

AlphaFold DB , UniProt , Accession Q32A13, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene ubiB, Length 546 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
1M63Low79.6Confident128 Ų12884.4 Ų84.463%0.63143%0.433SS*.  0138.30-78.8174.616800107.6E5 V6 L9 R172M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.06Å; M1-E5 WeakPolarHBondContact CB-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 4.37Å; M1-V6 HydrophobicContact CB-CG2 3.7Å; M1-V6 HydrophobicContact SD-CG2 4.39Å; M1-L9 HydrophobicContact CE-CD2 3.82Å; M1-L9 HydrophobicContact SD-CD2 3.86Å; M1-R172 VanDerWaalsContact CE-NH2 3.26Å
2T74.7Confident80.2Confident77 Ų7777.5 Ų77.547%0.47240%0.398SS..  trans-68.2158.7171.267.70000110.2G4 E5 V6T2-G4 PolarHBondContact O-N 2.85Å; T2-E5 PolarHBondContact N-OE2 3.15Å; T2-E5 WeakPolarHBondContact O-CB 3.16Å; T2-E5 PolarHBondContact O-N 3.32Å; T2-E5 VanDerWaalsContact OG1-CG 3.25Å; T2-E5 WeakPolarHBondContact OG1-CG 3.37Å; T2-E5 PolarHBondContact OG1-N 3.41Å; T2-V6 PolarHBondContact O-N 3.32Å
3P76.9Confident80.6Confident116 Ų11675.6 Ų75.675%0.75339%0.388SS*.Hα-helixtrans-55.4-37.5176.1-2735.3000113.1V6 R7P3-V6 PolarHBondContact O-N 3.18Å; P3-R7 PolarHBondContact O-N 2.82Å
4G75.1Confident81.3Confident49 Ų4977.9 Ų77.951%0.50539%0.389SS..Hα-helixtrans-62.9-42.9173.700000113T2 V6 R7 R8T2-G4 PolarHBondContact O-N 2.85Å; G4-V6 VanDerWaalsContact C-N 3.34Å; G4-V6 PolarHBondContact O-N 3.12Å; G4-R7 PolarHBondContact O-N 3.22Å; G4-R8 WeakPolarHBondContact O-CB 3.44Å; G4-R8 PolarHBondContact O-N 2.86Å
5E74Confident82Confident28 Ų2872.7 Ų72.713%0.13136%0.363CS..Hα-helixtrans-62.4-39175-73.9171.9168.700112.3M1 T2 L9 A165 K168M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.06Å; M1-E5 WeakPolarHBondContact CB-OE2 3.25Å; M1-E5 HydrophobicContact CG-CB 4.37Å; T2-E5 PolarHBondContact N-OE2 3.15Å; T2-E5 WeakPolarHBondContact O-CB 3.16Å; T2-E5 PolarHBondContact O-N 3.32Å; T2-E5 VanDerWaalsContact OG1-CG 3.25Å; T2-E5 WeakPolarHBondContact OG1-CG 3.37Å; T2-E5 PolarHBondContact OG1-N 3.41Å; E5-L9 VanDerWaalsContact O-CB 3.23Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.45Å; E5-A165 HydrophobicContact CG-CB 4Å; E5-K168 IonicContact OE1-NZ 3.85Å; E5-K168 PolarHBondContact OE1-NZ 2.77Å; E5-K168 IonicContact OE2-NZ 3.95Å
6V79.9Confident82.4Confident78 Ų7871.1 Ų71.147%0.47335%0.353SS..Hα-helixtrans-67.3-46177.8176.60000110.8M1 T2 P3 G4 R8 L9 Y10M1-V6 HydrophobicContact CB-CG2 3.7Å; M1-V6 HydrophobicContact SD-CG2 4.39Å; T2-V6 PolarHBondContact O-N 3.32Å; P3-V6 PolarHBondContact O-N 3.18Å; G4-V6 VanDerWaalsContact C-N 3.34Å; G4-V6 PolarHBondContact O-N 3.12Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 3.37Å; V6-L9 PolarHBondContact O-N 3.43Å; V6-Y10 PolarHBondContact O-N 3.4Å
7R85.7Confident82.8Confident205 Ų20567.8 Ų67.877%0.77434%0.337SS*.Hα-helixtrans-59.8-43.8176.2-176.9-180177.2-176.4-0.6111.3P3 G4 Y10 F11P3-R7 PolarHBondContact O-N 2.82Å; G4-R7 PolarHBondContact O-N 3.22Å; R7-Y10 PolarHBondContact O-N 2.89Å; R7-F11 PolarHBondContact O-N 3.35Å
8R84.6Confident83.3Confident49 Ų4964.7 Ų64.719%0.18532%0.324CS..Hα-helixtrans-65.6-43.7177.2-175.758.2175.2-179.6-1.8111.5G4 V6 Y10 F11 I12 L64 A165 D166G4-R8 WeakPolarHBondContact O-CB 3.44Å; G4-R8 PolarHBondContact O-N 2.86Å; V6-R8 VanDerWaalsContact C-N 3.32Å; V6-R8 PolarHBondContact O-N 3.37Å; R8-Y10 VanDerWaalsContact C-N 3.34Å; R8-Y10 PolarHBondContact O-N 3.48Å; R8-F11 WeakPolarHBondContact O-CB 3.43Å; R8-F11 PolarHBondContact O-N 3.49Å; R8-I12 HydrophobicContact CG-CD1 4.12Å; R8-I12 VanDerWaalsContact O-CG1 3.29Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 2.94Å; R8-L64 PolarHBondContact NH1-O 3.31Å; R8-L64 PolarHBondContact NH2-O 2.67Å; R8-A165 HydrophobicContact CB-CB 4.46Å; R8-A165 HydrophobicContact CG-CB 4.19Å; R8-D166 WeakPolarHBondContact CG-OD1 3.3Å; R8-D166 IonicContact CZ-OD1 3.13Å; R8-D166 IonicContact CZ-OD2 2.67Å; R8-D166 IonicContact NE-OD1 3.78Å; R8-D166 PolarHBondContact NE-OD1 3.07Å; R8-D166 IonicContact NE-OD2 2.71Å; R8-D166 IonicContact NH2-OD1 3.19Å; R8-D166 PolarHBondContact NH2-OD1 2.87Å; R8-D166 IonicContact NH2-OD2 2.73Å; R8-D166 PolarHBondContact NH2-OD2 2.87Å
9L84.1Confident83.8Confident26 Ų2662.2 Ų62.214%0.13631%0.31CS..Hα-helixtrans-59.7-44.4175.517960000112M1 E5 V6 F11 I12 I13 L169M1-L9 HydrophobicContact CE-CD2 3.82Å; M1-L9 HydrophobicContact SD-CD2 3.86Å; E5-L9 VanDerWaalsContact O-CB 3.23Å; E5-L9 WeakPolarHBondContact O-CB 3.28Å; E5-L9 PolarHBondContact O-N 3.45Å; V6-L9 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 2.73Å; L9-I13 HydrophobicContact CD1-CD1 3.9Å; L9-I13 HydrophobicContact CD1-CG1 4.2Å; L9-I13 HydrophobicContact CG-CD1 3.87Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.21Å; L9-L169 HydrophobicContact CD1-CB 4.47Å; L9-L169 HydrophobicContact CD1-CD1 3.7Å; L9-L169 HydrophobicContact CD1-CD2 3.86Å; L9-L169 HydrophobicContact CD1-CG 4.23Å
10Y87.6Confident84Confident110 Ų11059.2 Ų59.243%0.43130%0.295SS..Hα-helixtrans-60-44.3174.8174.2-90.3000111.5V6 R7 R8 I12 I13 R14 M44V6-Y10 PolarHBondContact O-N 3.4Å; R7-Y10 PolarHBondContact O-N 2.89Å; R8-Y10 VanDerWaalsContact C-N 3.34Å; R8-Y10 PolarHBondContact O-N 3.48Å; Y10-I12 VanDerWaalsContact C-N 3.35Å; Y10-I12 PolarHBondContact O-N 2.95Å; Y10-I13 PolarHBondContact O-N 3.3Å; Y10-R14 HydrophobicContact CE1-CB 4.49Å; Y10-R14 WeakPolarHBondContact O-CB 3.5Å; Y10-R14 PolarHBondContact O-N 3.32Å; Y10-M44 HydrophobicContact CD2-CE 4.07Å; Y10-M44 HydrophobicContact CE1-CE 4.27Å; Y10-M44 HydrophobicContact CE2-CE 3.22Å; Y10-M44 VanDerWaalsContact OH-CE 3.32Å; Y10-M44 WeakPolarHBondContact OH-CE 3.4Å
11F89.7Confident84.1Confident62 Ų6256.6 Ų56.627%0.27228%0.283SS..Hα-helixtrans-58.2-47.6175.5177.1-109.7000111.2R7 R8 L9 I13 R14 T15 E63 L64R7-F11 PolarHBondContact O-N 3.35Å; R8-F11 WeakPolarHBondContact O-CB 3.43Å; R8-F11 PolarHBondContact O-N 3.49Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.1Å; F11-I13 PolarHBondContact O-N 2.89Å; F11-R14 PolarHBondContact O-N 3.14Å; F11-T15 PolarHBondContact O-N 3.15Å; F11-T15 PolarHBondContact O-OG1 2.94Å; F11-T15 VanDerWaalsContact O-OG1 3.08Å; F11-E63 HydrophobicContact CZ-CG 4.3Å; F11-L64 HydrophobicContact CD1-CD2 4.21Å; F11-L64 HydrophobicContact CE1-CD2 4.03Å
12I87Confident85Confident2 Ų252.7 Ų52.71%0.0126%0.264CS..Hα-helixtrans-62.2-48.8179.8-56.8156.2000111.3R8 L9 Y10 R14 T15 F16 L64 W68 D166 L169R8-I12 HydrophobicContact CG-CD1 4.12Å; R8-I12 VanDerWaalsContact O-CG1 3.29Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 2.94Å; L9-I12 PolarHBondContact O-N 2.73Å; Y10-I12 VanDerWaalsContact C-N 3.35Å; Y10-I12 PolarHBondContact O-N 2.95Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 2.85Å; I12-T15 PolarHBondContact O-N 3.31Å; I12-F16 HydrophobicContact CG2-CD2 3.57Å; I12-F16 HydrophobicContact CG2-CE2 3.61Å; I12-F16 VanDerWaalsContact O-CD2 3.31Å; I12-F16 WeakPolarHBondContact O-CD2 3.4Å; I12-F16 PolarHBondContact O-N 3.5Å; I12-L64 HydrophobicContact CB-CD2 4.02Å; I12-L64 HydrophobicContact CG1-CD2 3.92Å; I12-L64 HydrophobicContact CG2-CD1 4.14Å; I12-L64 HydrophobicContact CG2-CD2 3.89Å; I12-W68 HydrophobicContact CD1-CZ2 4.14Å; I12-W68 HydrophobicContact CG1-CZ2 4.43Å; I12-W68 HydrophobicContact CG2-CH2 4.21Å; I12-W68 HydrophobicContact CG2-CZ2 3.76Å; I12-D166 WeakPolarHBondContact CD1-OD1 3.42Å; I12-L169 HydrophobicContact CB-CD2 3.66Å; I12-L169 HydrophobicContact CD1-CB 4.43Å; I12-L169 HydrophobicContact CD1-CD2 3.56Å; I12-L169 HydrophobicContact CG1-CD2 4.19Å; I12-L169 HydrophobicContact CG2-CD2 3.27Å
13I86.2Confident85.3Confident53 Ų5354.4 Ų54.427%0.27227%0.267SS..Hα-helixtrans-58.9-46178.4-68.1168.4000110.2L9 Y10 F11 T15 F16 L17 W37L9-I13 HydrophobicContact CD1-CD1 3.9Å; L9-I13 HydrophobicContact CD1-CG1 4.2Å; L9-I13 HydrophobicContact CG-CD1 3.87Å; L9-I13 VanDerWaalsContact O-CG1 3.31Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.21Å; Y10-I13 PolarHBondContact O-N 3.3Å; F11-I13 PolarHBondContact O-N 2.89Å; I13-T15 PolarHBondContact O-N 2.78Å; I13-F16 PolarHBondContact O-N 2.9Å; I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 2.89Å; I13-W37 HydrophobicContact CG2-CH2 4.5Å
14R90.4Very high85.5Confident107 Ų10752.2 Ų52.240%0.40425%0.248SC..Hα-helixtrans-58.9-46.5178.7176.6-177.5143.4174.9-6.8111.6Y10 F11 I12 L17 S18 M44Y10-R14 HydrophobicContact CE1-CB 4.49Å; Y10-R14 WeakPolarHBondContact O-CB 3.5Å; Y10-R14 PolarHBondContact O-N 3.32Å; F11-R14 PolarHBondContact O-N 3.14Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 2.85Å; R14-L17 PolarHBondContact O-N 3.36Å; R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.91Å; R14-S18 PolarHBondContact O-OG 2.93Å; R14-M44 HydrophobicContact CB-CE 3.97Å; R14-M44 HydrophobicContact CB-SD 3.88Å; R14-M44 HydrophobicContact CG-CE 4.25Å; R14-M44 HydrophobicContact CG-SD 4.06Å
15T90.8Very high85.7Confident0 Ų052 Ų520%024%0.235CC..Hα-helixtrans-63.9-47.9178.3-58.80000110.7F11 I12 I13 L17 S18 Y19 A60 E63 L64F11-T15 PolarHBondContact O-N 3.15Å; F11-T15 PolarHBondContact O-OG1 2.94Å; F11-T15 VanDerWaalsContact O-OG1 3.08Å; I12-T15 PolarHBondContact O-N 3.31Å; I13-T15 PolarHBondContact O-N 2.78Å; T15-L17 VanDerWaalsContact C-N 3.26Å; T15-L17 PolarHBondContact O-N 3.35Å; T15-S18 WeakPolarHBondContact CA-OG 3.3Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-S18 VanDerWaalsContact O-N 3.15Å; T15-S18 PolarHBondContact O-OG 3.43Å; T15-Y19 HydrophobicContact CG2-CD2 3.87Å; T15-Y19 HydrophobicContact CG2-CE2 3.82Å; T15-Y19 VanDerWaalsContact O-CD2 3.28Å; T15-Y19 WeakPolarHBondContact O-CD2 3.41Å; T15-Y19 PolarHBondContact O-N 2.69Å; T15-Y19 VanDerWaalsContact O-N 3.1Å; T15-A60 HydrophobicContact CG2-CB 4.25Å; T15-E63 HydrophobicContact CG2-CB 4.13Å; T15-E63 HydrophobicContact CG2-CG 4.2Å; T15-L64 HydrophobicContact CG2-CD2 3.89Å; T15-L64 HydrophobicContact CG2-CG 3.96Å
16F89.1Confident85.8Confident47 Ų4752.6 Ų52.621%0.20624%0.241CC..Hα-helixtrans-55-43176.1-93.6-103.6000112.5I12 I13 G20 L21 L64 W68I12-F16 HydrophobicContact CG2-CD2 3.57Å; I12-F16 HydrophobicContact CG2-CE2 3.61Å; I12-F16 VanDerWaalsContact O-CD2 3.31Å; I12-F16 WeakPolarHBondContact O-CD2 3.4Å; I12-F16 PolarHBondContact O-N 3.5Å; I13-F16 PolarHBondContact O-N 2.9Å; F16-G20 PolarHBondContact O-N 3.03Å; F16-L21 HydrophobicContact CD1-CB 3.81Å; F16-L21 HydrophobicContact CD1-CD1 3.71Å; F16-L21 HydrophobicContact CD1-CG 4.39Å; F16-L21 HydrophobicContact CE1-CB 4.47Å; F16-L21 HydrophobicContact CE1-CD1 3.93Å; F16-L21 HydrophobicContact CG-CD1 4.15Å; F16-L21 WeakPolarHBondContact O-CB 3.33Å; F16-L21 PolarHBondContact O-N 3.46Å; F16-L64 HydrophobicContact CD2-CD1 3.98Å; F16-L64 HydrophobicContact CE2-CD1 3.51Å; F16-W68 HydrophobicContact CE2-CE3 4.31Å; F16-W68 AromaticContact CE2-CH2 3.89Å; F16-W68 HydrophobicContact CE2-CH2 3.89Å; F16-W68 HydrophobicContact CE2-CZ2 4.5Å; F16-W68 AromaticContact CE2-CZ3 3.8Å; F16-W68 HydrophobicContact CE2-CZ3 3.8Å; F16-W68 HydrophobicContact CZ-CE3 4.36Å; F16-W68 HydrophobicContact CZ-CH2 4.03Å; F16-W68 AromaticContact CZ-CZ3 3.66Å; F16-W68 HydrophobicContact CZ-CZ3 3.66Å
17L89.6Confident85.6Confident15 Ų1557.8 Ų57.88%0.07926%0.258CS..Hα-helixtrans-74.8-32.8179.2-65.1-176.7000113.3I13 R14 T15 Y19 G20 D22 R38 L41 M44I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.47Å; I13-L17 VanDerWaalsContact O-CG 3.26Å; I13-L17 WeakPolarHBondContact O-CG 3.44Å; I13-L17 PolarHBondContact O-N 2.89Å; R14-L17 PolarHBondContact O-N 3.36Å; T15-L17 VanDerWaalsContact C-N 3.26Å; T15-L17 PolarHBondContact O-N 3.35Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.4Å; L17-G20 PolarHBondContact O-N 2.89Å; L17-G20 VanDerWaalsContact O-N 3.1Å; L17-D22 HydrophobicContact CD2-CB 4Å; L17-R38 PolarHBondContact O-NH2 3.17Å; L17-L41 HydrophobicContact CD1-CB 4.47Å; L17-L41 HydrophobicContact CD1-CD1 3.5Å; L17-L41 VanDerWaalsContact CD1-CD1 3.5Å; L17-M44 HydrophobicContact CB-CB 4.41Å; L17-M44 HydrophobicContact CD1-SD 4.09Å
18S91Very high85.3Confident13 Ų1351.5 Ų51.59%0.09124%0.238CC..Hα-helixtrans-69.5-28.5177.564.50000112.6R14 T15 N46 R47 H48R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.91Å; R14-S18 PolarHBondContact O-OG 2.93Å; T15-S18 WeakPolarHBondContact CA-OG 3.3Å; T15-S18 PolarHBondContact O-N 3.45Å; T15-S18 VanDerWaalsContact O-N 3.15Å; T15-S18 PolarHBondContact O-OG 3.43Å; S18-N46 CarbonylContact O-C 3.57Å; S18-N46 WeakPolarHBondContact O-CA 3.49Å; S18-N46 PolarHBondContact O-OD1 2.98Å; S18-R47 PolarHBondContact O-N 3.4Å; S18-H48 PolarHBondContact O-CD2 3.12Å
19Y92.2Very high85Confident17 Ų1760.7 Ų60.77%0.06727%0.272CS..THydrogen-bonded Turntrans-88.8-0.8170.5-72.9-84.5000113.4T15 L17 L21 H48 R56 L59 A60 E63T15-Y19 HydrophobicContact CG2-CD2 3.87Å; T15-Y19 HydrophobicContact CG2-CE2 3.82Å; T15-Y19 VanDerWaalsContact O-CD2 3.28Å; T15-Y19 WeakPolarHBondContact O-CD2 3.41Å; T15-Y19 PolarHBondContact O-N 2.69Å; T15-Y19 VanDerWaalsContact O-N 3.1Å; L17-Y19 VanDerWaalsContact C-N 3.3Å; L17-Y19 PolarHBondContact O-N 3.4Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 3.38Å; Y19-H48 HydrophobicContact CD1-CB 4.01Å; Y19-H48 AromaticContact CD1-CD2 3.34Å; Y19-H48 WeakPolarHBondContact CD1-CD2 3.4Å; Y19-H48 AromaticContact CD1-CG 3.65Å; Y19-H48 HydrophobicContact CE1-CB 4.45Å; Y19-H48 AromaticContact CE1-CD2 3.33Å; Y19-H48 WeakPolarHBondContact CE1-CD2 3.35Å; Y19-H48 AromaticContact CE1-CE1 3.86Å; Y19-H48 AromaticContact CE1-CG 3.68Å; Y19-H48 AromaticContact CE1-ND1 3.99Å; Y19-H48 AromaticContact CE1-NE2 3.5Å; Y19-H48 WeakPolarHBondContact CE1-NE2 3.48Å; Y19-H48 AromaticContact CG-CD2 3.86Å; Y19-H48 AromaticContact CZ-CD2 3.85Å; Y19-H48 AromaticContact CZ-NE2 3.64Å; Y19-R56 HydrophobicContact CD1-CB 4.3Å; Y19-R56 WeakPolarHBondContact CD1-O 3.36Å; Y19-R56 WeakPolarHBondContact O-CD 3.18Å; Y19-R56 PolarHBondContact O-NH1 2.95Å; Y19-L59 HydrophobicContact CD1-CB 4.14Å; Y19-L59 HydrophobicContact CE1-CB 3.37Å; Y19-L59 HydrophobicContact CE1-CD1 4.18Å; Y19-L59 HydrophobicContact CE1-CG 4.43Å; Y19-A60 HydrophobicContact CD1-CB 4.44Å; Y19-A60 HydrophobicContact CD2-CB 3.51Å; Y19-A60 HydrophobicContact CE2-CB 4.06Å; Y19-A60 HydrophobicContact CG-CB 3.75Å; Y19-E63 HydrophobicContact CE2-CB 4.49Å; Y19-E63 WeakPolarHBondContact CE2-OE2 3.48Å; Y19-E63 PolarHBondContact OH-OE2 3.01Å
20G87.6Confident84.8Confident1 Ų164.6 Ų64.61%0.0129%0.293CS..THydrogen-bonded Turntrans6431.6179.800000113.9F16 L17 D22 E23 N46 R56F16-G20 PolarHBondContact O-N 3.03Å; L17-G20 PolarHBondContact O-N 2.89Å; L17-G20 VanDerWaalsContact O-N 3.1Å; G20-D22 VanDerWaalsContact C-OD1 3.25Å; G20-D22 VanDerWaalsContact CA-OD1 3.3Å; G20-D22 WeakPolarHBondContact CA-OD1 3.36Å; G20-D22 PolarHBondContact O-N 2.99Å; G20-E23 WeakPolarHBondContact O-CB 3.5Å; G20-E23 WeakPolarHBondContact O-CG 3.43Å; G20-E23 PolarHBondContact O-N 3.02Å; G20-N46 WeakPolarHBondContact CA-ND2 3.44Å; G20-R56 PolarHBondContact O-NH1 3.31Å
21L86.4Confident84.5Confident6 Ų659.7 Ų59.73%0.03127%0.274CS..G310 helixtrans-72.3-8.2180-59.9-175.4000112.9F16 Y19 E23 L24 L53 R56 L57 A60F16-L21 HydrophobicContact CD1-CB 3.81Å; F16-L21 HydrophobicContact CD1-CD1 3.71Å; F16-L21 HydrophobicContact CD1-CG 4.39Å; F16-L21 HydrophobicContact CE1-CB 4.47Å; F16-L21 HydrophobicContact CE1-CD1 3.93Å; F16-L21 HydrophobicContact CG-CD1 4.15Å; F16-L21 WeakPolarHBondContact O-CB 3.33Å; F16-L21 PolarHBondContact O-N 3.46Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 3.38Å; L21-E23 PolarHBondContact O-N 3.49Å; L21-L24 HydrophobicContact CB-CD1 4.41Å; L21-L24 WeakPolarHBondContact O-CB 3.23Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-L24 VanDerWaalsContact O-N 3.11Å; L21-L53 HydrophobicContact CD2-CD1 4.34Å; L21-R56 HydrophobicContact CD2-CB 4.18Å; L21-L57 HydrophobicContact CD1-CD1 3.68Å; L21-L57 HydrophobicContact CD2-CB 4.04Å; L21-L57 HydrophobicContact CD2-CD1 4.35Å; L21-A60 HydrophobicContact CD1-CB 3.6Å
22D82.6Confident84.1Confident45 Ų4561.8 Ų61.824%0.24129%0.287CS..G310 helixtrans-62.8-17.716953.9-50.4000113.1L17 G20 L24 I25 R38L17-D22 HydrophobicContact CD2-CB 4Å; G20-D22 VanDerWaalsContact C-OD1 3.25Å; G20-D22 VanDerWaalsContact CA-OD1 3.3Å; G20-D22 WeakPolarHBondContact CA-OD1 3.36Å; G20-D22 PolarHBondContact O-N 2.99Å; D22-L24 PolarHBondContact O-N 3.05Å; D22-I25 WeakPolarHBondContact O-CB 3.17Å; D22-I25 WeakPolarHBondContact O-CG1 3.13Å; D22-I25 PolarHBondContact O-N 2.92Å; D22-I25 VanDerWaalsContact O-N 3.12Å; D22-R38 IonicContact OD1-NE 3.55Å; D22-R38 WeakPolarHBondContact OD2-CD 3.34Å; D22-R38 WeakPolarHBondContact OD2-CG 3.41Å; D22-R38 IonicContact OD2-NE 2.73Å; D22-R38 PolarHBondContact OD2-NE 2.94Å
23E81.9Confident83.8Confident113 Ų11365.8 Ų65.853%0.52831%0.313SS..G310 helixtrans-60.9-25169.7-70.7171.5-144.600113.3G20 L21 I25 R56G20-E23 WeakPolarHBondContact O-CB 3.5Å; G20-E23 WeakPolarHBondContact O-CG 3.43Å; G20-E23 PolarHBondContact O-N 3.02Å; L21-E23 PolarHBondContact O-N 3.49Å; E23-I25 PolarHBondContact O-N 3.47Å; E23-R56 VanDerWaalsContact CD-NH1 3.34Å; E23-R56 IonicContact OE1-CZ 3.78Å; E23-R56 IonicContact OE1-NH1 3.51Å; E23-R56 PolarHBondContact OE1-NH1 3.16Å; E23-R56 IonicContact OE1-NH2 2.95Å; E23-R56 IonicContact OE2-CZ 3.74Å; E23-R56 IonicContact OE2-NH1 3.36Å; E23-R56 PolarHBondContact OE2-NH1 3.24Å; E23-R56 IonicContact OE2-NH2 3.1Å; E23-R56 PolarHBondContact OE2-NH2 3.46Å
24L79.6Confident83.6Confident70 Ų7067 Ų6737%0.36632%0.32SS..G310 helixtrans-68.5-15.9176-71.1165000112.8L21 D22 P26 L53 I86L21-L24 HydrophobicContact CB-CD1 4.41Å; L21-L24 WeakPolarHBondContact O-CB 3.23Å; L21-L24 PolarHBondContact O-N 2.98Å; L21-L24 VanDerWaalsContact O-N 3.11Å; D22-L24 PolarHBondContact O-N 3.05Å; L24-P26 VanDerWaalsContact O-CD 3.31Å; L24-P26 WeakPolarHBondContact O-CD 3.47Å; L24-L53 HydrophobicContact CD2-CD1 4.38Å; L24-L53 HydrophobicContact CD2-CD2 3.63Å; L24-L53 HydrophobicContact CD2-CG 4.2Å; L24-L53 HydrophobicContact CG-CD1 4.19Å; L24-L53 HydrophobicContact CG-CD2 4.27Å; L24-I86 HydrophobicContact CD2-CD1 4.11Å
25I79.4Confident83Confident44 Ų4465.5 Ų65.523%0.22631%0.314CS..SBendtrans-80116.6-176.6-56.2-178.7000109.2D22 E23 T31 L34 R35D22-I25 WeakPolarHBondContact O-CB 3.17Å; D22-I25 WeakPolarHBondContact O-CG1 3.13Å; D22-I25 PolarHBondContact O-N 2.92Å; D22-I25 VanDerWaalsContact O-N 3.12Å; E23-I25 PolarHBondContact O-N 3.47Å; I25-T31 HydrophobicContact CG2-CG2 3.62Å; I25-L34 HydrophobicContact CD1-CD2 3.44Å; I25-L34 VanDerWaalsContact CD1-CD2 3.44Å; I25-L34 HydrophobicContact CG2-CD2 4.41Å; I25-R35 PolarHBondContact O-NH2 3.22Å
26P75.6Confident82.6Confident41 Ų4170.7 Ų70.727%0.26634%0.342SS..  trans-56.9147.7-176.1-27.236.7000113.5L24 M28 T31 R35 L181L24-P26 VanDerWaalsContact O-CD 3.31Å; L24-P26 WeakPolarHBondContact O-CD 3.47Å; P26-M28 HydrophobicContact CB-CE 4.42Å; P26-M28 HydrophobicContact CB-CG 4.32Å; P26-M28 PolarHBondContact O-N 3.34Å; P26-T31 PolarHBondContact O-OG1 3.4Å; P26-R35 PolarHBondContact O-NH2 3.06Å; P26-L181 HydrophobicContact CG-CD2 4.19Å
27K76.9Confident82.3Confident187 Ų18774.5 Ų74.581%0.81336%0.355SS*.  trans-75.788.5178.2-46.5-156.9166.5169.20110.5R35K27-R35 VanDerWaalsContact CA-NH2 3.25Å; K27-R35 VanDerWaalsContact CB-NH1 3.33Å
28M78.8Confident81.9Confident73 Ų7376 Ų7636%0.3636%0.359SS..  trans-133.1158.4179.5-62.6-160.7-67.800113.3P26 I30 T31 L32 L180P26-M28 HydrophobicContact CB-CE 4.42Å; P26-M28 HydrophobicContact CB-CG 4.32Å; P26-M28 PolarHBondContact O-N 3.34Å; M28-I30 PolarHBondContact O-N 2.88Å; M28-T31 HydrophobicContact CB-CG2 4.49Å; M28-T31 PolarHBondContact N-OG1 3.49Å; M28-T31 VanDerWaalsContact N-OG1 3.1Å; M28-T31 PolarHBondContact O-N 3.2Å; M28-T31 PolarHBondContact O-OG1 3.4Å; M28-L32 PolarHBondContact O-N 2.97Å; M28-L180 HydrophobicContact CE-CD2 4.23Å; M28-L180 VanDerWaalsContact CE-O 3.22Å; M28-L180 WeakPolarHBondContact CE-O 3.09Å
29R77.9Confident81.3Confident242 Ų24284.1 Ų84.191%0.91339%0.389SS*.G310 helixtrans-52.9-40.7178.2-72-174-178.6176.80.9112.8T31 L32R29-T31 PolarHBondContact O-N 3.41Å; R29-L32 WeakPolarHBondContact O-CB 3.31Å; R29-L32 PolarHBondContact O-N 3.33Å
30I80.3Confident80.8Confident109 Ų10986.8 Ų86.856%0.55941%0.41SS*.G310 helixtrans-63.5-27.8178.8-59.7172000112M28 W176M28-I30 PolarHBondContact O-N 2.88Å; I30-W176 HydrophobicContact CG2-CZ3 4.34Å
31T81.3Confident80.5Confident6 Ų687.4 Ų87.44%0.03741%0.413CS..G310 helixtrans-92.1-7.2-178.365.60000113.7I25 P26 M28 R29 L34 R35 L180I25-T31 HydrophobicContact CG2-CG2 3.62Å; P26-T31 PolarHBondContact O-OG1 3.4Å; M28-T31 HydrophobicContact CB-CG2 4.49Å; M28-T31 PolarHBondContact N-OG1 3.49Å; M28-T31 VanDerWaalsContact N-OG1 3.1Å; M28-T31 PolarHBondContact O-N 3.2Å; M28-T31 PolarHBondContact O-OG1 3.4Å; R29-T31 PolarHBondContact O-N 3.41Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 2.88Å; T31-R35 PolarHBondContact O-N 3.27Å; T31-L180 HydrophobicContact CG2-CD2 3.5Å; T31-L180 VanDerWaalsContact CG2-CD2 3.5Å
32L80.7Confident80.2Confident106 Ų10695 Ų9556%0.55545%0.447SS*.Hα-helixtrans-59.5-44.3-177.1-164.776.2000112.9M28 R29 L34 R35 L36M28-L32 PolarHBondContact O-N 2.97Å; R29-L32 WeakPolarHBondContact O-CB 3.31Å; R29-L32 PolarHBondContact O-N 3.33Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.3Å; L32-R35 PolarHBondContact O-N 3.05Å; L32-R35 VanDerWaalsContact O-N 3.15Å; L32-L36 PolarHBondContact O-N 3.4Å
33P82.4Confident80.4Confident86 Ų8699.4 Ų99.456%0.55846%0.46SS*.Hα-helixtrans-61.4-37.9177.2-22.834.8000112.8R35 L36 W37P33-R35 VanDerWaalsContact C-N 3.28Å; P33-R35 PolarHBondContact O-N 2.93Å; P33-L36 PolarHBondContact O-N 3.41Å; P33-W37 WeakPolarHBondContact O-CB 3.43Å; P33-W37 PolarHBondContact O-N 3.32Å
34L80.9Confident80.5Confident78 Ų7894.6 Ų94.641%0.40844%0.438SS..Hα-helixtrans-64.7-34.8178.3-171.671000111.6I25 T31 L32 W37 R38I25-L34 HydrophobicContact CD1-CD2 3.44Å; I25-L34 VanDerWaalsContact CD1-CD2 3.44Å; I25-L34 HydrophobicContact CG2-CD2 4.41Å; T31-L34 WeakPolarHBondContact O-CB 3.47Å; T31-L34 PolarHBondContact O-N 2.88Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.3Å; L34-W37 HydrophobicContact CD1-CE3 3.66Å; L34-W37 HydrophobicContact CD1-CZ3 3.95Å; L34-R38 PolarHBondContact O-N 3.24Å
35R78.3Confident80.6Confident76 Ų7694.4 Ų94.429%0.28744%0.44SS..Hα-helixtrans-74.2-36.5176-69.6179.3176-170.9-1.9113I25 P26 K27 T31 L32 P33 W37 R38 Y39I25-R35 PolarHBondContact O-NH2 3.22Å; P26-R35 PolarHBondContact O-NH2 3.06Å; K27-R35 VanDerWaalsContact CA-NH2 3.25Å; K27-R35 VanDerWaalsContact CB-NH1 3.33Å; T31-R35 PolarHBondContact O-N 3.27Å; L32-R35 PolarHBondContact O-N 3.05Å; L32-R35 VanDerWaalsContact O-N 3.15Å; P33-R35 VanDerWaalsContact C-N 3.28Å; P33-R35 PolarHBondContact O-N 2.93Å; R35-W37 VanDerWaalsContact C-N 3.32Å; R35-R38 WeakPolarHBondContact O-CB 3.35Å; R35-R38 PolarHBondContact O-N 3.48Å; R35-Y39 WeakPolarHBondContact O-CD2 3.36Å; R35-Y39 PolarHBondContact O-N 2.9Å
36L82.7Confident80.9Confident109 Ų10993.3 Ų93.357%0.57144%0.435SS*.Hα-helixtrans-62.8-44.6171.3-67.5174.8000110.3L32 P33 R38 Y39L32-L36 PolarHBondContact O-N 3.4Å; P33-L36 PolarHBondContact O-N 3.41Å; L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 2.91Å; L36-Y39 WeakPolarHBondContact O-CB 3.5Å; L36-Y39 PolarHBondContact O-N 3.31Å; L36-Y39 VanDerWaalsContact O-N 3.12Å
37W82.5Confident81.4Confident128 Ų12899.6 Ų99.649%0.48545%0.453SS..Hα-helixtrans-60-34.7174179.761.5000113I13 P33 L34 R35 Y39 S40 L41I13-W37 HydrophobicContact CG2-CH2 4.5Å; P33-W37 WeakPolarHBondContact O-CB 3.43Å; P33-W37 PolarHBondContact O-N 3.32Å; L34-W37 HydrophobicContact CD1-CE3 3.66Å; L34-W37 HydrophobicContact CD1-CZ3 3.95Å; R35-W37 VanDerWaalsContact C-N 3.32Å; W37-Y39 VanDerWaalsContact C-N 3.29Å; W37-Y39 PolarHBondContact O-N 3.39Å; W37-S40 WeakPolarHBondContact O-CB 3.35Å; W37-S40 PolarHBondContact O-N 3.47Å; W37-L41 HydrophobicContact CD2-CD1 4.23Å; W37-L41 HydrophobicContact CE3-CD1 4.29Å; W37-L41 HydrophobicContact CH2-CD1 3.9Å; W37-L41 HydrophobicContact CZ2-CD1 3.79Å; W37-L41 HydrophobicContact CZ3-CD1 4.14Å; W37-L41 PolarHBondContact O-N 3.4Å
38R80.7Confident81.8Confident45 Ų4592.7 Ų92.717%0.1742%0.424CS..Hα-helixtrans-58.4-38.2174.5176.361.4177123.4-14.6112.8L17 D22 L34 R35 L36 S40 L41 M44L17-R38 PolarHBondContact O-NH2 3.17Å; D22-R38 IonicContact OD1-NE 3.55Å; D22-R38 WeakPolarHBondContact OD2-CD 3.34Å; D22-R38 WeakPolarHBondContact OD2-CG 3.41Å; D22-R38 IonicContact OD2-NE 2.73Å; D22-R38 PolarHBondContact OD2-NE 2.94Å; L34-R38 PolarHBondContact O-N 3.24Å; R35-R38 WeakPolarHBondContact O-CB 3.35Å; R35-R38 PolarHBondContact O-N 3.48Å; L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 2.91Å; R38-S40 VanDerWaalsContact C-N 3.28Å; R38-S40 PolarHBondContact O-N 2.91Å; R38-L41 PolarHBondContact NH1-O 2.97Å; R38-L41 PolarHBondContact O-N 3.5Å; R38-M44 PolarHBondContact NH1-O 2.71Å; R38-M44 PolarHBondContact NH2-O 3Å
39Y78.1Confident82Confident185 Ų18597.2 Ų97.273%0.72544%0.442SS*.Hα-helixtrans-66.9-29.6175.8-69.6-72.4000112.4R35 L36 W37 L41R35-Y39 WeakPolarHBondContact O-CD2 3.36Å; R35-Y39 PolarHBondContact O-N 2.9Å; L36-Y39 WeakPolarHBondContact O-CB 3.5Å; L36-Y39 PolarHBondContact O-N 3.31Å; L36-Y39 VanDerWaalsContact O-N 3.12Å; W37-Y39 VanDerWaalsContact C-N 3.29Å; W37-Y39 PolarHBondContact O-N 3.39Å; Y39-L41 PolarHBondContact O-N 3.45Å
40S81.6Confident82.5Confident72 Ų7291.3 Ų91.350%0.50343%0.428SS..Hα-helixtrans-69.6-20.4174.6-490000113.2W37 R38 F42 W43W37-S40 WeakPolarHBondContact O-CB 3.35Å; W37-S40 PolarHBondContact O-N 3.47Å; R38-S40 VanDerWaalsContact C-N 3.28Å; R38-S40 PolarHBondContact O-N 2.91Å; S40-F42 VanDerWaalsContact C-N 3.28Å; S40-F42 WeakPolarHBondContact O-CD1 3.48Å; S40-F42 PolarHBondContact O-N 2.96Å; S40-W43 WeakPolarHBondContact O-CZ3 3.5Å
41L82.9Confident82.9Confident15 Ų1588.9 Ų88.98%0.07941%0.414CS..  trans-92.345.4177.5-62.1176000112.1L17 W37 R38 Y39 W43 M44L17-L41 HydrophobicContact CD1-CB 4.47Å; L17-L41 HydrophobicContact CD1-CD1 3.5Å; L17-L41 VanDerWaalsContact CD1-CD1 3.5Å; W37-L41 HydrophobicContact CD2-CD1 4.23Å; W37-L41 HydrophobicContact CE3-CD1 4.29Å; W37-L41 HydrophobicContact CH2-CD1 3.9Å; W37-L41 HydrophobicContact CZ2-CD1 3.79Å; W37-L41 HydrophobicContact CZ3-CD1 4.14Å; W37-L41 PolarHBondContact O-N 3.4Å; R38-L41 PolarHBondContact NH1-O 2.97Å; R38-L41 PolarHBondContact O-N 3.5Å; Y39-L41 PolarHBondContact O-N 3.45Å; L41-W43 HydrophobicContact CD2-CH2 3.53Å; L41-W43 HydrophobicContact CD2-CZ2 3.53Å; L41-W43 HydrophobicContact CD2-CZ3 4.31Å; L41-W43 PolarHBondContact O-N 3.38Å; L41-M44 PolarHBondContact O-N 2.88Å
42F79.5Confident83.4Confident166 Ų16695.2 Ų95.273%0.72845%0.447SS*.THydrogen-bonded Turntrans-61.5-25.3-17462.9-91.2000113.9S40 M44S40-F42 VanDerWaalsContact C-N 3.28Å; S40-F42 WeakPolarHBondContact O-CD1 3.48Å; S40-F42 PolarHBondContact O-N 2.96Å; F42-M44 PolarHBondContact O-N 2.76Å
43W85.6Confident83.8Confident137 Ų13792 Ų9252%0.51943%0.429SS..THydrogen-bonded Turntrans-74.7-5.3177.270.282.8000113.8S40 L41 P45S40-W43 WeakPolarHBondContact O-CZ3 3.5Å; L41-W43 HydrophobicContact CD2-CH2 3.53Å; L41-W43 HydrophobicContact CD2-CZ2 3.53Å; L41-W43 HydrophobicContact CD2-CZ3 4.31Å; L41-W43 PolarHBondContact O-N 3.38Å; W43-P45 WeakPolarHBondContact O-CD 3.41Å
44M84.4Confident84.1Confident12 Ų1287.9 Ų87.96%0.05940%0.403CS..SBendtrans-11371.3175.9-57.7-171.2-178.500111.1Y10 R14 L17 R38 L41 F42Y10-M44 HydrophobicContact CD2-CE 4.07Å; Y10-M44 HydrophobicContact CE1-CE 4.27Å; Y10-M44 HydrophobicContact CE2-CE 3.22Å; Y10-M44 VanDerWaalsContact OH-CE 3.32Å; Y10-M44 WeakPolarHBondContact OH-CE 3.4Å; R14-M44 HydrophobicContact CB-CE 3.97Å; R14-M44 HydrophobicContact CB-SD 3.88Å; R14-M44 HydrophobicContact CG-CE 4.25Å; R14-M44 HydrophobicContact CG-SD 4.06Å; L17-M44 HydrophobicContact CB-CB 4.41Å; L17-M44 HydrophobicContact CD1-SD 4.09Å; R38-M44 PolarHBondContact NH1-O 2.71Å; R38-M44 PolarHBondContact NH2-O 3Å; L41-M44 PolarHBondContact O-N 2.88Å; F42-M44 PolarHBondContact O-N 2.76Å
45P82.7Confident84.6Confident66 Ų6686.9 Ų86.943%0.42940%0.397SS..  trans-70.8150.8178.630.3-35.2000111.2W43 R47W43-P45 WeakPolarHBondContact O-CD 3.41Å; P45-R47 PolarHBondContact O-N 3.37Å
46N84.8Confident85.3Confident21 Ų2184 Ų8411%0.11239%0.386CS..  trans-66.2115.3164.3177.2-3000108.5S18 G20 H48 K49 R56S18-N46 CarbonylContact O-C 3.57Å; S18-N46 WeakPolarHBondContact O-CA 3.49Å; S18-N46 PolarHBondContact O-OD1 2.98Å; G20-N46 WeakPolarHBondContact CA-ND2 3.44Å; N46-H48 PolarHBondContact OD1-N 2.89Å; N46-K49 HydrophobicContact CB-CG 4.15Å; N46-K49 WeakPolarHBondContact ND2-CG 3.4Å; N46-K49 PolarHBondContact OD1-N 3.37Å; N46-R56 PolarHBondContact ND2-NH1 3.03Å
47R85.7Confident85.8Confident172 Ų17279.5 Ų79.565%0.64936%0.362SS*.SBendtrans-95.3-6.2-177.3-62.4-176.5-178.8-172.6-3.3113.5S18 P45S18-R47 PolarHBondContact O-N 3.4Å; P45-R47 PolarHBondContact O-N 3.37Å
48H86.2Confident86.2Confident43 Ų4375.7 Ų75.720%0.19935%0.348CS..  trans-122.529.2-170.6-61.6-75.5000112.7S18 Y19 N46 D50 K51 R56S18-H48 PolarHBondContact O-CD2 3.12Å; Y19-H48 HydrophobicContact CD1-CB 4.01Å; Y19-H48 AromaticContact CD1-CD2 3.34Å; Y19-H48 WeakPolarHBondContact CD1-CD2 3.4Å; Y19-H48 AromaticContact CD1-CG 3.65Å; Y19-H48 HydrophobicContact CE1-CB 4.45Å; Y19-H48 AromaticContact CE1-CD2 3.33Å; Y19-H48 WeakPolarHBondContact CE1-CD2 3.35Å; Y19-H48 AromaticContact CE1-CE1 3.86Å; Y19-H48 AromaticContact CE1-CG 3.68Å; Y19-H48 AromaticContact CE1-ND1 3.99Å; Y19-H48 AromaticContact CE1-NE2 3.5Å; Y19-H48 WeakPolarHBondContact CE1-NE2 3.48Å; Y19-H48 AromaticContact CG-CD2 3.86Å; Y19-H48 AromaticContact CZ-CD2 3.85Å; Y19-H48 AromaticContact CZ-NE2 3.64Å; N46-H48 PolarHBondContact OD1-N 2.89Å; H48-D50 WeakPolarHBondContact CA-OD1 3.47Å; H48-D50 PolarHBondContact O-N 3.29Å; H48-D50 VanDerWaalsContact O-N 3.08Å; H48-K51 PolarHBondContact O-N 3.18Å; H48-R56 HydrophobicContact CB-CG 4.21Å; H48-R56 WeakPolarHBondContact O-CD 3.44Å
49K82.7Confident86.7Confident167 Ų16775.3 Ų75.373%0.72635%0.349SS*.THydrogen-bonded Turntrans-59.1-19.8-178.3-68.4-177.2-179.4-177.70114.1N46 K51N46-K49 HydrophobicContact CB-CG 4.15Å; N46-K49 WeakPolarHBondContact ND2-CG 3.4Å; N46-K49 PolarHBondContact OD1-N 3.37Å; K49-K51 PolarHBondContact O-N 2.95Å
50D88Confident87.3Confident119 Ų11966.5 Ų66.564%0.63631%0.314SS*.THydrogen-bonded Turntrans-69.8-16.8176.160.6-57000113.5H48H48-D50 WeakPolarHBondContact CA-OD1 3.47Å; H48-D50 PolarHBondContact O-N 3.29Å; H48-D50 VanDerWaalsContact O-N 3.08Å
51K89Confident87.8Confident58 Ų5863.3 Ų63.325%0.25229%0.291SS..SBendtrans-104.1149.4-174.1-70172.1174.947.90113H48 K49 E55 R56 L59H48-K51 PolarHBondContact O-N 3.18Å; K49-K51 PolarHBondContact O-N 2.95Å; K51-E55 HydrophobicContact CB-CB 4.48Å; K51-E55 HydrophobicContact CD-CG 4.35Å; K51-E55 WeakPolarHBondContact CE-OE1 3.36Å; K51-R56 HydrophobicContact CB-CG 3.67Å; K51-R56 WeakPolarHBondContact O-CD 3.42Å; K51-R56 PolarHBondContact O-NE 3.49Å; K51-R56 VanDerWaalsContact O-NE 3.15Å; K51-L59 HydrophobicContact CD-CD1 3.64Å
52L91Very high88Confident139 Ų13965.3 Ų65.373%0.72830%0.3SS*.  trans-64.3152173.5-67.9171.4000110.9G54 E55 R56L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.45Å; L52-E55 PolarHBondContact O-N 2.98Å; L52-E55 VanDerWaalsContact O-N 3.1Å; L52-R56 WeakPolarHBondContact O-CG 3.35Å; L52-R56 PolarHBondContact O-N 3.27Å
53L89.9Confident88.4Confident37 Ų3761.1 Ų61.119%0.19428%0.283CS..Hα-helixtrans-56-43.2-174.7-176.560.6000113.7L21 L24 E55 R56 L57 I86L21-L53 HydrophobicContact CD2-CD1 4.34Å; L24-L53 HydrophobicContact CD2-CD1 4.38Å; L24-L53 HydrophobicContact CD2-CD2 3.63Å; L24-L53 HydrophobicContact CD2-CG 4.2Å; L24-L53 HydrophobicContact CG-CD1 4.19Å; L24-L53 HydrophobicContact CG-CD2 4.27Å; L53-E55 PolarHBondContact O-N 3.38Å; L53-R56 PolarHBondContact O-N 3Å; L53-L57 PolarHBondContact O-N 3.5Å; L53-I86 HydrophobicContact CD2-CD1 4.21Å; L53-I86 HydrophobicContact CG-CD1 4.44Å
54G89.6Confident88.5Confident1 Ų154.7 Ų54.71%0.0126%0.259CS..Hα-helixtrans-62.3-41.4177.200000112.7L52 L57 R58 Q89L52-G54 VanDerWaalsContact C-N 3.33Å; L52-G54 PolarHBondContact O-N 3.45Å; G54-L57 PolarHBondContact O-N 3.04Å; G54-R58 PolarHBondContact O-N 3.48Å; G54-Q89 VanDerWaalsContact C-CB 3.47Å; G54-Q89 WeakPolarHBondContact O-CB 3.09Å
55E91Very high88.5Confident57 Ų5754.7 Ų54.727%0.26626%0.262SS..Hα-helixtrans-67.4-41.3177.7-172.5-173.1173.700111.3K51 L52 L53 L57 R58 L59K51-E55 HydrophobicContact CB-CB 4.48Å; K51-E55 HydrophobicContact CD-CG 4.35Å; K51-E55 WeakPolarHBondContact CE-OE1 3.36Å; L52-E55 PolarHBondContact O-N 2.98Å; L52-E55 VanDerWaalsContact O-N 3.1Å; L53-E55 PolarHBondContact O-N 3.38Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 2.77Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.41Å; E55-L59 HydrophobicContact CG-CD1 4.24Å; E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.46Å
56R93.3Very high88.5Confident16 Ų1652.5 Ų52.56%0.0625%0.248CC..Hα-helixtrans-59.5-42.3174.5-68.4-177.1-65.6158.6-17.4111.5Y19 G20 L21 E23 N46 H48 K51 L52 L53 A60Y19-R56 HydrophobicContact CD1-CB 4.3Å; Y19-R56 WeakPolarHBondContact CD1-O 3.36Å; Y19-R56 WeakPolarHBondContact O-CD 3.18Å; Y19-R56 PolarHBondContact O-NH1 2.95Å; G20-R56 PolarHBondContact O-NH1 3.31Å; L21-R56 HydrophobicContact CD2-CB 4.18Å; E23-R56 VanDerWaalsContact CD-NH1 3.34Å; E23-R56 IonicContact OE1-CZ 3.78Å; E23-R56 IonicContact OE1-NH1 3.51Å; E23-R56 PolarHBondContact OE1-NH1 3.16Å; E23-R56 IonicContact OE1-NH2 2.95Å; E23-R56 IonicContact OE2-CZ 3.74Å; E23-R56 IonicContact OE2-NH1 3.36Å; E23-R56 PolarHBondContact OE2-NH1 3.24Å; E23-R56 IonicContact OE2-NH2 3.1Å; E23-R56 PolarHBondContact OE2-NH2 3.46Å; N46-R56 PolarHBondContact ND2-NH1 3.03Å; H48-R56 HydrophobicContact CB-CG 4.21Å; H48-R56 WeakPolarHBondContact O-CD 3.44Å; K51-R56 HydrophobicContact CB-CG 3.67Å; K51-R56 WeakPolarHBondContact O-CD 3.42Å; K51-R56 PolarHBondContact O-NE 3.49Å; K51-R56 VanDerWaalsContact O-NE 3.15Å; L52-R56 WeakPolarHBondContact O-CG 3.35Å; L52-R56 PolarHBondContact O-N 3.27Å; L53-R56 PolarHBondContact O-N 3Å; R56-A60 VanDerWaalsContact O-CB 3.31Å; R56-A60 WeakPolarHBondContact O-CB 3.38Å; R56-A60 PolarHBondContact O-N 2.97Å
57L92.3Very high88.6Confident13 Ų1351.6 Ų51.67%0.06824%0.243CC..Hα-helixtrans-63.5-47.3176.1179.461.4000111.3L21 L53 G54 E55 L59 A60 L61 I86 L90L21-L57 HydrophobicContact CD1-CD1 3.68Å; L21-L57 HydrophobicContact CD2-CB 4.04Å; L21-L57 HydrophobicContact CD2-CD1 4.35Å; L53-L57 PolarHBondContact O-N 3.5Å; G54-L57 PolarHBondContact O-N 3.04Å; E55-L57 VanDerWaalsContact C-N 3.31Å; E55-L57 PolarHBondContact O-N 2.77Å; L57-L59 PolarHBondContact O-N 3.22Å; L57-A60 PolarHBondContact O-N 3.3Å; L57-L61 HydrophobicContact CD1-CD1 4.18Å; L57-L61 HydrophobicContact CD1-CD2 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.13Å; L57-L61 HydrophobicContact CG-CD1 4.11Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.08Å; L57-L61 PolarHBondContact O-N 3.04Å; L57-I86 HydrophobicContact CD2-CG2 3.66Å; L57-L90 HydrophobicContact CD2-CD1 4.44Å; L57-L90 HydrophobicContact CD2-CD2 3.91Å; L57-L90 HydrophobicContact CD2-CG 4.41Å; L57-L90 HydrophobicContact CG-CD2 4.07Å
58R91.3Very high88.8Confident49 Ų4943.6 Ų43.619%0.18521%0.213CC..Hα-helixtrans-54.9-51.8177.2-178-174.868.9126.5-3.9111.7G54 E55 A60 L61 Q62 Q89 L93G54-R58 PolarHBondContact O-N 3.48Å; E55-R58 WeakPolarHBondContact O-CB 3.38Å; E55-R58 PolarHBondContact O-N 3.41Å; R58-A60 PolarHBondContact O-N 3.36Å; R58-L61 PolarHBondContact O-N 3.09Å; R58-Q62 WeakPolarHBondContact O-CG 3.43Å; R58-Q62 PolarHBondContact O-N 2.9Å; R58-Q89 HydrophobicContact CB-CB 4.45Å; R58-Q89 WeakPolarHBondContact CD-O 3Å; R58-Q89 WeakPolarHBondContact CG-O 3.32Å; R58-L93 HydrophobicContact CB-CD2 4.43Å; R58-L93 HydrophobicContact CG-CD2 3.66Å; R58-L93 HydrophobicContact CG-CG 4.03Å; R58-L93 WeakPolarHBondContact O-CD2 3.49Å
59L90.5Very high88.7Confident37 Ų3741.8 Ų41.819%0.19420%0.204CC..Hα-helixtrans-64.3-39.7-179.6-66.3173.6000112.1Y19 K51 E55 L57 L61 Q62 E63Y19-L59 HydrophobicContact CD1-CB 4.14Å; Y19-L59 HydrophobicContact CE1-CB 3.37Å; Y19-L59 HydrophobicContact CE1-CD1 4.18Å; Y19-L59 HydrophobicContact CE1-CG 4.43Å; K51-L59 HydrophobicContact CD-CD1 3.64Å; E55-L59 HydrophobicContact CG-CD1 4.24Å; E55-L59 WeakPolarHBondContact O-CG 3.33Å; E55-L59 PolarHBondContact O-N 3.46Å; L57-L59 PolarHBondContact O-N 3.22Å; L59-L61 PolarHBondContact O-N 3.44Å; L59-Q62 PolarHBondContact O-N 3.04Å; L59-E63 PolarHBondContact O-N 2.9Å
60A91.9Very high88.7Confident0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-59.3-47.5174.400000111.6T15 Y19 L21 R56 L57 R58 Q62 E63 L64T15-A60 HydrophobicContact CG2-CB 4.25Å; Y19-A60 HydrophobicContact CD1-CB 4.44Å; Y19-A60 HydrophobicContact CD2-CB 3.51Å; Y19-A60 HydrophobicContact CE2-CB 4.06Å; Y19-A60 HydrophobicContact CG-CB 3.75Å; L21-A60 HydrophobicContact CD1-CB 3.6Å; R56-A60 VanDerWaalsContact O-CB 3.31Å; R56-A60 WeakPolarHBondContact O-CB 3.38Å; R56-A60 PolarHBondContact O-N 2.97Å; L57-A60 PolarHBondContact O-N 3.3Å; R58-A60 PolarHBondContact O-N 3.36Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 3.29Å; A60-E63 PolarHBondContact O-N 2.87Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 2.88Å
61L91.2Very high88.7Confident5 Ų531.2 Ų31.23%0.02615%0.153CC..Hα-helixtrans-63.2-37.3178.9-65.4175.6000112L57 R58 L59 L64 G65 W68 L90 L93L57-L61 HydrophobicContact CD1-CD1 4.18Å; L57-L61 HydrophobicContact CD1-CD2 4.48Å; L57-L61 HydrophobicContact CD1-CG 4.13Å; L57-L61 HydrophobicContact CG-CD1 4.11Å; L57-L61 HydrophobicContact CG-CG 4.45Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.08Å; L57-L61 PolarHBondContact O-N 3.04Å; R58-L61 PolarHBondContact O-N 3.09Å; L59-L61 PolarHBondContact O-N 3.44Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-G65 PolarHBondContact O-N 3.07Å; L61-W68 HydrophobicContact CB-CB 4.35Å; L61-W68 HydrophobicContact CD2-CB 3.85Å; L61-W68 HydrophobicContact CD2-CD2 4.24Å; L61-W68 HydrophobicContact CD2-CE3 3.51Å; L61-W68 HydrophobicContact CD2-CG 4.43Å; L61-W68 HydrophobicContact CD2-CZ3 4.4Å; L61-L90 HydrophobicContact CD1-CD2 3.44Å; L61-L90 VanDerWaalsContact CD1-CD2 3.44Å; L61-L93 HydrophobicContact CB-CD2 4.16Å; L61-L93 HydrophobicContact CD1-CD1 4.06Å
62Q88Confident88.6Confident56 Ų5628.5 Ų28.526%0.26214%0.141SC..Hα-helixtrans-63.8-43.5173.7-70.6-178.1-5700112.4R58 L59 A60 L64 G65 I69 L93R58-Q62 WeakPolarHBondContact O-CG 3.43Å; R58-Q62 PolarHBondContact O-N 2.9Å; L59-Q62 PolarHBondContact O-N 3.04Å; A60-Q62 VanDerWaalsContact C-N 3.31Å; A60-Q62 PolarHBondContact O-N 3.29Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.1Å; Q62-G65 PolarHBondContact O-N 2.92Å; Q62-I69 HydrophobicContact CG-CG1 4.4Å; Q62-L93 HydrophobicContact CG-CD2 3.61Å
63E87.6Confident88Confident78 Ų7824.3 Ų24.336%0.36412%0.118SC..Hα-helixtrans-67.4-34.8178.4-174.5176.3146.300112.4F11 T15 Y19 L59 A60 G65F11-E63 HydrophobicContact CZ-CG 4.3Å; T15-E63 HydrophobicContact CG2-CB 4.13Å; T15-E63 HydrophobicContact CG2-CG 4.2Å; Y19-E63 HydrophobicContact CE2-CB 4.49Å; Y19-E63 WeakPolarHBondContact CE2-OE2 3.48Å; Y19-E63 PolarHBondContact OH-OE2 3.01Å; L59-E63 PolarHBondContact O-N 2.9Å; A60-E63 PolarHBondContact O-N 2.87Å; E63-G65 PolarHBondContact O-N 3.21Å
64L88.6Confident87.6Confident2 Ų224.8 Ų24.81%0.0112%0.119CC..Hα-helixtrans-66-29.2175.5-68.1173000112R8 F11 I12 T15 F16 A60 L61 Q62 W68R8-L64 PolarHBondContact NH1-O 3.31Å; R8-L64 PolarHBondContact NH2-O 2.67Å; F11-L64 HydrophobicContact CD1-CD2 4.21Å; F11-L64 HydrophobicContact CE1-CD2 4.03Å; I12-L64 HydrophobicContact CB-CD2 4.02Å; I12-L64 HydrophobicContact CG1-CD2 3.92Å; I12-L64 HydrophobicContact CG2-CD1 4.14Å; I12-L64 HydrophobicContact CG2-CD2 3.89Å; T15-L64 HydrophobicContact CG2-CD2 3.89Å; T15-L64 HydrophobicContact CG2-CG 3.96Å; F16-L64 HydrophobicContact CD2-CD1 3.98Å; F16-L64 HydrophobicContact CE2-CD1 3.51Å; A60-L64 WeakPolarHBondContact O-CG 3.37Å; A60-L64 PolarHBondContact O-N 2.88Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.39Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 3.1Å; L64-W68 HydrophobicContact CB-CB 3.64Å; L64-W68 VanDerWaalsContact CB-CD1 3.44Å; L64-W68 HydrophobicContact CB-CD2 4.25Å; L64-W68 HydrophobicContact CB-CG 3.48Å; L64-W68 VanDerWaalsContact CB-CG 3.48Å; L64-W68 HydrophobicContact CD1-CB 4.16Å; L64-W68 HydrophobicContact CD1-CD2 3.53Å; L64-W68 HydrophobicContact CD1-CE3 3.91Å; L64-W68 HydrophobicContact CD1-CG 3.66Å; L64-W68 HydrophobicContact CG-CD2 4.49Å; L64-W68 HydrophobicContact CG-CG 4.19Å
65G84.2Confident87.2Confident12 Ų1225.6 Ų25.612%0.12412%0.123CC..  trans100.1-163.5171.900000113.9L61 Q62 E63 V67 W68 I69L61-G65 PolarHBondContact O-N 3.07Å; Q62-G65 PolarHBondContact O-N 2.92Å; E63-G65 PolarHBondContact O-N 3.21Å; G65-V67 PolarHBondContact O-N 3Å; G65-V67 VanDerWaalsContact O-N 3.15Å; G65-W68 PolarHBondContact O-N 2.6Å; G65-I69 WeakPolarHBondContact O-CG1 3.42Å; G65-I69 PolarHBondContact O-N 3.08Å
66P81.4Confident86.3Confident21 Ų2123.8 Ų23.814%0.13612%0.117CC..Hα-helixtrans-52.6-45.6-160-32.936.7000116.5W68 I69 K70 V97 S134P66-W68 PolarHBondContact O-N 3.45Å; P66-I69 PolarHBondContact O-N 3.25Å; P66-K70 PolarHBondContact O-N 2.95Å; P66-V97 HydrophobicContact CG-CG1 3.75Å; P66-V97 HydrophobicContact CG-CG2 4.1Å; P66-S134 WeakPolarHBondContact CB-O 3.49Å; P66-S134 WeakPolarHBondContact CG-O 3.06Å
67V87.4Confident85Confident2 Ų226.7 Ų26.71%0.01214%0.137CC..Hα-helixtrans-64.5-29.3-178.1-178.10000111.5G65 F71 I163 D166 I170 Y196 L200G65-V67 PolarHBondContact O-N 3Å; G65-V67 VanDerWaalsContact O-N 3.15Å; V67-F71 VanDerWaalsContact O-CB 3.26Å; V67-F71 WeakPolarHBondContact O-CB 3.43Å; V67-F71 PolarHBondContact O-N 3.47Å; V67-I163 HydrophobicContact CG2-CB 4.48Å; V67-I163 HydrophobicContact CG2-CG1 3.65Å; V67-D166 HydrophobicContact CB-CB 4.18Å; V67-D166 HydrophobicContact CG1-CB 3.72Å; V67-I170 HydrophobicContact CG1-CD1 4.42Å; V67-Y196 HydrophobicContact CG1-CE1 4.28Å; V67-Y196 PolarHBondContact O-OH 3.32Å; V67-L200 HydrophobicContact CG1-CD2 3.78Å; V67-L200 HydrophobicContact CG2-CD2 4.36Å
68W89.4Confident83.9Confident4 Ų429.5 Ų29.52%0.01515%0.146CC..Hα-helixtrans-89.8-31.1179.6-70.688.4000112.3I12 F16 L61 L64 G65 P66 F71 G72 D166 L169 I170 L173I12-W68 HydrophobicContact CD1-CZ2 4.14Å; I12-W68 HydrophobicContact CG1-CZ2 4.43Å; I12-W68 HydrophobicContact CG2-CH2 4.21Å; I12-W68 HydrophobicContact CG2-CZ2 3.76Å; F16-W68 HydrophobicContact CE2-CE3 4.31Å; F16-W68 AromaticContact CE2-CH2 3.89Å; F16-W68 HydrophobicContact CE2-CH2 3.89Å; F16-W68 HydrophobicContact CE2-CZ2 4.5Å; F16-W68 AromaticContact CE2-CZ3 3.8Å; F16-W68 HydrophobicContact CE2-CZ3 3.8Å; F16-W68 HydrophobicContact CZ-CE3 4.36Å; F16-W68 HydrophobicContact CZ-CH2 4.03Å; F16-W68 AromaticContact CZ-CZ3 3.66Å; F16-W68 HydrophobicContact CZ-CZ3 3.66Å; L61-W68 HydrophobicContact CB-CB 4.35Å; L61-W68 HydrophobicContact CD2-CB 3.85Å; L61-W68 HydrophobicContact CD2-CD2 4.24Å; L61-W68 HydrophobicContact CD2-CE3 3.51Å; L61-W68 HydrophobicContact CD2-CG 4.43Å; L61-W68 HydrophobicContact CD2-CZ3 4.4Å; L64-W68 HydrophobicContact CB-CB 3.64Å; L64-W68 VanDerWaalsContact CB-CD1 3.44Å; L64-W68 HydrophobicContact CB-CD2 4.25Å; L64-W68 HydrophobicContact CB-CG 3.48Å; L64-W68 VanDerWaalsContact CB-CG 3.48Å; L64-W68 HydrophobicContact CD1-CB 4.16Å; L64-W68 HydrophobicContact CD1-CD2 3.53Å; L64-W68 HydrophobicContact CD1-CE3 3.91Å; L64-W68 HydrophobicContact CD1-CG 3.66Å; L64-W68 HydrophobicContact CG-CD2 4.49Å; L64-W68 HydrophobicContact CG-CG 4.19Å; G65-W68 PolarHBondContact O-N 2.6Å; P66-W68 PolarHBondContact O-N 3.45Å; W68-F71 HydrophobicContact CE3-CD1 4.36Å; W68-F71 PolarHBondContact O-N 3.34Å; W68-G72 PolarHBondContact O-N 2.92Å; W68-D166 PolarHBondContact NE1-OD2 2.93Å; W68-L169 HydrophobicContact CH2-CD2 4.3Å; W68-L169 HydrophobicContact CZ2-CD2 4.08Å; W68-I170 HydrophobicContact CH2-CD1 4.41Å; W68-I170 HydrophobicContact CH2-CG1 3.63Å; W68-I170 HydrophobicContact CZ2-CD1 4.36Å; W68-I170 HydrophobicContact CZ2-CG1 3.86Å; W68-I170 HydrophobicContact CZ3-CG1 4.01Å; W68-L173 HydrophobicContact CH2-CD1 4.21Å
69I84.6Confident82.7Confident4 Ų432.4 Ų32.42%0.02116%0.158CC..Hα-helixtrans-61.8-53.3171-62.9169.1000109.9Q62 G65 P66 F71 G72 Q73 L93 D95 V97Q62-I69 HydrophobicContact CG-CG1 4.4Å; G65-I69 WeakPolarHBondContact O-CG1 3.42Å; G65-I69 PolarHBondContact O-N 3.08Å; P66-I69 PolarHBondContact O-N 3.25Å; I69-F71 VanDerWaalsContact C-N 3.31Å; I69-F71 PolarHBondContact O-N 3.01Å; I69-G72 PolarHBondContact O-N 3.27Å; I69-G72 VanDerWaalsContact O-N 3.12Å; I69-Q73 WeakPolarHBondContact O-CG 3.4Å; I69-Q73 PolarHBondContact O-N 2.94Å; I69-L93 HydrophobicContact CG2-CB 4.33Å; I69-D95 WeakPolarHBondContact CG2-OD1 3.39Å; I69-V97 HydrophobicContact CD1-CG2 4.02Å
70K82.8Confident81.5Confident39 Ų3934 Ų3417%0.1717%0.166CC..Hα-helixtrans-61-39.4176.9-80-159156.11800112.8P66 G72 Q73 M74 S134 Y196 L200 E203P66-K70 PolarHBondContact O-N 2.95Å; K70-G72 VanDerWaalsContact C-N 3.35Å; K70-G72 PolarHBondContact O-N 2.78Å; K70-Q73 PolarHBondContact O-N 3.21Å; K70-M74 WeakPolarHBondContact O-CB 3.44Å; K70-M74 PolarHBondContact O-N 3.02Å; K70-S134 WeakPolarHBondContact CD-OG 3.47Å; K70-S134 WeakPolarHBondContact CE-OG 3.5Å; K70-S134 PolarHBondContact NZ-OG 3.41Å; K70-Y196 HydrophobicContact CB-CE2 4.14Å; K70-Y196 WeakPolarHBondContact CB-OH 3.3Å; K70-L200 HydrophobicContact CD-CD1 4.48Å; K70-E203 IonicContact NZ-OE1 3.7Å; K70-E203 PolarHBondContact NZ-OE1 2.87Å; K70-E203 IonicContact NZ-OE2 3.28Å; K70-E203 PolarHBondContact NZ-OE2 3.25Å
71F87.8Confident80.5Confident26 Ų2635.9 Ų35.911%0.11418%0.176CC..Hα-helixtrans-62.3-43.9174.9-174.1-120.7000111.3V67 W68 I69 M74 L75 I170 V193 Y196V67-F71 VanDerWaalsContact O-CB 3.26Å; V67-F71 WeakPolarHBondContact O-CB 3.43Å; V67-F71 PolarHBondContact O-N 3.47Å; W68-F71 HydrophobicContact CE3-CD1 4.36Å; W68-F71 PolarHBondContact O-N 3.34Å; I69-F71 VanDerWaalsContact C-N 3.31Å; I69-F71 PolarHBondContact O-N 3.01Å; F71-M74 HydrophobicContact CD2-CE 3.61Å; F71-M74 HydrophobicContact CE2-CE 3.56Å; F71-M74 PolarHBondContact O-N 2.89Å; F71-L75 HydrophobicContact CD1-CD1 3.78Å; F71-L75 HydrophobicContact CD1-CG 4.39Å; F71-L75 HydrophobicContact CD2-CG 4.5Å; F71-L75 HydrophobicContact CE1-CD1 3.41Å; F71-L75 VanDerWaalsContact CE1-CD1 3.41Å; F71-L75 HydrophobicContact CE1-CG 4.15Å; F71-L75 HydrophobicContact CE2-CD1 4.38Å; F71-L75 HydrophobicContact CE2-CD2 4.27Å; F71-L75 HydrophobicContact CE2-CG 4.25Å; F71-L75 HydrophobicContact CG-CD1 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.74Å; F71-L75 HydrophobicContact CZ-CD2 4.09Å; F71-L75 HydrophobicContact CZ-CG 4.06Å; F71-L75 WeakPolarHBondContact O-CB 3.28Å; F71-L75 VanDerWaalsContact O-CG 3.27Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 3.29Å; F71-I170 HydrophobicContact CD1-CD1 4.43Å; F71-I170 HydrophobicContact CE1-CG2 4.13Å; F71-I170 HydrophobicContact CE2-CG2 3.97Å; F71-I170 HydrophobicContact CG-CD1 4.35Å; F71-I170 HydrophobicContact CZ-CG2 3.72Å; F71-V193 HydrophobicContact CE2-CG2 4.42Å; F71-Y196 HydrophobicContact CB-CD1 4.41Å; F71-Y196 HydrophobicContact CB-CE1 3.73Å; F71-Y196 HydrophobicContact CB-CE2 4.36Å; F71-Y196 AromaticContact CD2-CD1 3.54Å; F71-Y196 HydrophobicContact CD2-CD1 3.54Å; F71-Y196 HydrophobicContact CD2-CD2 4.36Å; F71-Y196 AromaticContact CD2-CE1 3.75Å; F71-Y196 HydrophobicContact CD2-CE1 3.75Å; F71-Y196 AromaticContact CD2-CG 3.88Å; F71-Y196 HydrophobicContact CD2-CG 3.88Å; F71-Y196 HydrophobicContact CE2-CD1 4.24Å; F71-Y196 HydrophobicContact CG-CD1 4.34Å; F71-Y196 HydrophobicContact CG-CE1 4.1Å; F71-Y196 PolarHBondContact N-OH 3.19Å; F71-Y196 VanDerWaalsContact N-OH 3.16Å
72G87Confident79.7Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-63.4-41.1175.900000113.3W68 I69 K70 L75 S76 L93W68-G72 PolarHBondContact O-N 2.92Å; I69-G72 PolarHBondContact O-N 3.27Å; I69-G72 VanDerWaalsContact O-N 3.12Å; K70-G72 VanDerWaalsContact C-N 3.35Å; K70-G72 PolarHBondContact O-N 2.78Å; G72-L75 CarbonylContact O-C 3.57Å; G72-L75 PolarHBondContact O-N 3.31Å; G72-S76 PolarHBondContact O-N 2.81Å; G72-L93 VanDerWaalsContact C-CD1 3.5Å; G72-L93 VanDerWaalsContact CA-CD1 3.47Å
73Q79Confident79.2Confident52 Ų5238.6 Ų38.624%0.24319%0.194CC..Hα-helixtrans-62-44.9173.8-71.6170.7-2300111.3I69 K70 L75 S76 L93 D95I69-Q73 WeakPolarHBondContact O-CG 3.4Å; I69-Q73 PolarHBondContact O-N 2.94Å; K70-Q73 PolarHBondContact O-N 3.21Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 3.36Å; Q73-S76 WeakPolarHBondContact O-CB 3.26Å; Q73-S76 PolarHBondContact O-N 3.37Å; Q73-S76 VanDerWaalsContact O-N 3.15Å; Q73-S76 PolarHBondContact O-OG 3.45Å; Q73-L93 HydrophobicContact CG-CB 4Å; Q73-L93 PolarHBondContact NE2-O 2.9Å; Q73-D95 PolarHBondContact NE2-OD2 3.21Å
74M80.6Confident78.7Confident46 Ų4639 Ų3923%0.22720%0.204CC..Hα-helixtrans-61.7-41173.8-174.8-161.370.300111.6K70 F71 S76 T77 V192 Y196K70-M74 WeakPolarHBondContact O-CB 3.44Å; K70-M74 PolarHBondContact O-N 3.02Å; F71-M74 HydrophobicContact CD2-CE 3.61Å; F71-M74 HydrophobicContact CE2-CE 3.56Å; F71-M74 PolarHBondContact O-N 2.89Å; M74-S76 VanDerWaalsContact C-N 3.28Å; M74-S76 PolarHBondContact O-N 2.99Å; M74-T77 PolarHBondContact O-N 3.43Å; M74-T77 PolarHBondContact O-OG1 3.46Å; M74-V192 HydrophobicContact CE-CG1 3.56Å; M74-Y196 HydrophobicContact CE-CD2 4.16Å; M74-Y196 HydrophobicContact CE-CG 4.05Å; M74-Y196 VanDerWaalsContact SD-CB 3.57Å; M74-Y196 HydrophobicContact SD-CD2 3.56Å; M74-Y196 VanDerWaalsContact SD-CD2 3.56Å; M74-Y196 HydrophobicContact SD-CG 3.87Å
75L81.6Confident78.5Confident18 Ų1843.9 Ų43.99%0.09423%0.226CC..Hα-helixtrans-67.6-27.8175.9-71.7179.8000112.9F71 G72 Q73 T77 R78 L81 F82 L90F71-L75 HydrophobicContact CD1-CD1 3.78Å; F71-L75 HydrophobicContact CD1-CG 4.39Å; F71-L75 HydrophobicContact CD2-CG 4.5Å; F71-L75 HydrophobicContact CE1-CD1 3.41Å; F71-L75 VanDerWaalsContact CE1-CD1 3.41Å; F71-L75 HydrophobicContact CE1-CG 4.15Å; F71-L75 HydrophobicContact CE2-CD1 4.38Å; F71-L75 HydrophobicContact CE2-CD2 4.27Å; F71-L75 HydrophobicContact CE2-CG 4.25Å; F71-L75 HydrophobicContact CG-CD1 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.74Å; F71-L75 HydrophobicContact CZ-CD2 4.09Å; F71-L75 HydrophobicContact CZ-CG 4.06Å; F71-L75 WeakPolarHBondContact O-CB 3.28Å; F71-L75 VanDerWaalsContact O-CG 3.27Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 3.29Å; G72-L75 CarbonylContact O-C 3.57Å; G72-L75 PolarHBondContact O-N 3.31Å; Q73-L75 VanDerWaalsContact C-N 3.33Å; Q73-L75 PolarHBondContact O-N 3.36Å; L75-T77 PolarHBondContact O-N 2.91Å; L75-R78 CarbonylContact O-C 3.51Å; L75-R78 PolarHBondContact O-N 2.93Å; L75-L81 HydrophobicContact CD2-CD1 3.86Å; L75-F82 HydrophobicContact CB-CE2 3.87Å; L75-F82 HydrophobicContact CD1-CE2 3.88Å; L75-F82 HydrophobicContact CD1-CZ 3.91Å; L75-F82 HydrophobicContact CD2-CE2 4.05Å; L75-F82 HydrophobicContact CG-CE2 4.14Å; L75-L90 HydrophobicContact CB-CD1 4.01Å
76S72.9Confident78.6Confident19 Ų1943.6 Ų43.613%0.13322%0.221CC..Hα-helixtrans-64.3-25.6176.7820000112.9G72 Q73 M74G72-S76 PolarHBondContact O-N 2.81Å; Q73-S76 WeakPolarHBondContact O-CB 3.26Å; Q73-S76 PolarHBondContact O-N 3.37Å; Q73-S76 VanDerWaalsContact O-N 3.15Å; Q73-S76 PolarHBondContact O-OG 3.45Å; M74-S76 VanDerWaalsContact C-N 3.28Å; M74-S76 PolarHBondContact O-N 2.99Å
77T65.5Low78.4Confident78 Ų7842.6 Ų42.648%0.47922%0.215SC..Hα-helixtrans-79.2-22.1174.573.40000112M74 L75 R79M74-T77 PolarHBondContact O-N 3.43Å; M74-T77 PolarHBondContact O-OG1 3.46Å; L75-T77 PolarHBondContact O-N 2.91Å; T77-R79 PolarHBondContact O-N 3.46Å
78R68.7Low78.1Confident71 Ų7145.7 Ų45.727%0.26823%0.232SC..  trans-93.163.1176-69.2-64.7-57.8-93-2.5111.6L75 D80 L81L75-R78 CarbonylContact O-C 3.51Å; L75-R78 PolarHBondContact O-N 2.93Å; R78-D80 VanDerWaalsContact C-OD1 3.24Å; R78-D80 WeakPolarHBondContact CA-OD1 3.38Å; R78-D80 IonicContact CZ-OD1 2.72Å; R78-D80 IonicContact CZ-OD2 2.75Å; R78-D80 IonicContact NE-OD1 3.62Å; R78-D80 PolarHBondContact NE-OD1 3.38Å; R78-D80 IonicContact NE-OD2 3.61Å; R78-D80 PolarHBondContact NE-OD2 2.85Å; R78-D80 IonicContact NH2-OD1 2.68Å; R78-D80 IonicContact NH2-OD2 3.62Å; R78-D80 PolarHBondContact NH2-OD2 3.22Å; R78-D80 PolarHBondContact O-N 3.45Å; R78-D80 VanDerWaalsContact O-N 3.07Å; R78-L81 HydrophobicContact CB-CD1 3.53Å; R78-L81 HydrophobicContact CB-CG 3.85Å; R78-L81 HydrophobicContact CG-CD1 4.16Å; R78-L81 WeakPolarHBondContact O-CB 3.26Å; R78-L81 PolarHBondContact O-N 3.49Å
79R67.1Low77.9Confident111 Ų11147.9 Ų47.942%0.41924%0.242SC..THydrogen-bonded Turntrans-59.9-15.7178.1-66.8-173.2170.9-125-12.2113.8T77 L81 A87 D88T77-R79 PolarHBondContact O-N 3.46Å; R79-L81 VanDerWaalsContact C-N 3.27Å; R79-A87 HydrophobicContact CG-CB 4.1Å; R79-D88 IonicContact CZ-OD1 3.87Å; R79-D88 IonicContact NH1-OD1 3.74Å; R79-D88 PolarHBondContact NH1-OD1 2.98Å; R79-D88 VanDerWaalsContact NH1-OD1 3.14Å; R79-D88 IonicContact NH2-OD1 3.42Å; R79-D88 PolarHBondContact NH2-OD1 3.37Å
80D65Low77.9Confident71 Ų7147.7 Ų47.738%0.3824%0.241SC..THydrogen-bonded Turntrans-69.2-23.1171.962.5-55.4000113.3R78R78-D80 VanDerWaalsContact C-OD1 3.24Å; R78-D80 WeakPolarHBondContact CA-OD1 3.38Å; R78-D80 IonicContact CZ-OD1 2.72Å; R78-D80 IonicContact CZ-OD2 2.75Å; R78-D80 IonicContact NE-OD1 3.62Å; R78-D80 PolarHBondContact NE-OD1 3.38Å; R78-D80 IonicContact NE-OD2 3.61Å; R78-D80 PolarHBondContact NE-OD2 2.85Å; R78-D80 IonicContact NH2-OD1 2.68Å; R78-D80 IonicContact NH2-OD2 3.62Å; R78-D80 PolarHBondContact NH2-OD2 3.22Å; R78-D80 PolarHBondContact O-N 3.45Å; R78-D80 VanDerWaalsContact O-N 3.07Å
81L69.3Low77.4Confident39 Ų3948.6 Ų48.620%0.20426%0.255CS..SBendtrans-85.2-24-177.7-60.5178.1000113.4L75 R78 R79 L187L75-L81 HydrophobicContact CD2-CD1 3.86Å; R78-L81 HydrophobicContact CB-CD1 3.53Å; R78-L81 HydrophobicContact CB-CG 3.85Å; R78-L81 HydrophobicContact CG-CD1 4.16Å; R78-L81 WeakPolarHBondContact O-CB 3.26Å; R78-L81 PolarHBondContact O-N 3.49Å; R79-L81 VanDerWaalsContact C-N 3.27Å; L81-L187 HydrophobicContact CD2-CB 3.73Å; L81-L187 HydrophobicContact CD2-CD1 3.65Å; L81-L187 HydrophobicContact CD2-CD2 3.59Å; L81-L187 HydrophobicContact CD2-CG 3.8Å
82F75Confident76.9Confident50 Ų5051.8 Ų51.822%0.21927%0.273CS..SBendtrans-133.9143.4-170.3-64.9-79.3000112L75 I86 A87 L90L75-F82 HydrophobicContact CB-CE2 3.87Å; L75-F82 HydrophobicContact CD1-CE2 3.88Å; L75-F82 HydrophobicContact CD1-CZ 3.91Å; L75-F82 HydrophobicContact CD2-CE2 4.05Å; L75-F82 HydrophobicContact CG-CE2 4.14Å; F82-I86 HydrophobicContact CB-CB 4.14Å; F82-I86 HydrophobicContact CB-CG2 4.11Å; F82-I86 HydrophobicContact CD1-CB 4.48Å; F82-I86 HydrophobicContact CD1-CG2 3.79Å; F82-I86 HydrophobicContact CG-CG2 4.08Å; F82-A87 HydrophobicContact CB-CB 4.44Å; F82-L90 HydrophobicContact CD2-CD1 4.25Å; F82-L90 HydrophobicContact CE2-CD1 4.36Å
83P78.8Confident76.5Confident67 Ų6752.2 Ų52.244%0.43528%0.275SS..  trans-53.8148.9166.8-24.834.3000111.8H85 I86 A87P83-H85 VanDerWaalsContact C-N 3.3Å; P83-H85 PolarHBondContact O-N 3.4Å; P83-H85 VanDerWaalsContact O-N 3.16Å; P83-I86 PolarHBondContact O-N 2.8Å; P83-A87 PolarHBondContact O-N 3.4Å; P83-A87 VanDerWaalsContact O-N 3.14Å
84P76.1Confident75.7Confident88 Ų8854.9 Ų54.957%0.57129%0.288SS*.Hα-helixtrans-51-44.1-175.9-3035.2000114.2I86 A87 D88P84-I86 PolarHBondContact O-N 3.42Å; P84-A87 PolarHBondContact O-N 2.73Å; P84-A87 VanDerWaalsContact O-N 3.11Å; P84-D88 WeakPolarHBondContact O-CB 3.42Å; P84-D88 VanDerWaalsContact O-CG 3.24Å; P84-D88 PolarHBondContact O-N 3.23Å; P84-D88 VanDerWaalsContact O-OD2 3.14Å
85H83.8Confident74.8Confident104 Ų10455.4 Ų55.448%0.48129%0.292SS..Hα-helixtrans-61.6-19.7179.874.2-89.5000114.7P83 Q89P83-H85 VanDerWaalsContact C-N 3.3Å; P83-H85 PolarHBondContact O-N 3.4Å; P83-H85 VanDerWaalsContact O-N 3.16Å; H85-Q89 VanDerWaalsContact O-CG 3.29Å; H85-Q89 WeakPolarHBondContact O-CG 3.14Å
86I86.5Confident74Confident5 Ų562.9 Ų62.93%0.02632%0.324CS..Hα-helixtrans-90.3-48172.3-61.3-175.3000109.7L24 L53 L57 F82 P83 P84 D88 Q89 L90L24-I86 HydrophobicContact CD2-CD1 4.11Å; L53-I86 HydrophobicContact CD2-CD1 4.21Å; L53-I86 HydrophobicContact CG-CD1 4.44Å; L57-I86 HydrophobicContact CD2-CG2 3.66Å; F82-I86 HydrophobicContact CB-CB 4.14Å; F82-I86 HydrophobicContact CB-CG2 4.11Å; F82-I86 HydrophobicContact CD1-CB 4.48Å; F82-I86 HydrophobicContact CD1-CG2 3.79Å; F82-I86 HydrophobicContact CG-CG2 4.08Å; P83-I86 PolarHBondContact O-N 2.8Å; P84-I86 PolarHBondContact O-N 3.42Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 PolarHBondContact O-N 2.85Å; I86-Q89 WeakPolarHBondContact O-CB 3.16Å; I86-Q89 PolarHBondContact O-N 2.99Å; I86-Q89 VanDerWaalsContact O-N 3.07Å; I86-L90 HydrophobicContact CG2-CD1 4.23Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.27Å
87A77.8Confident73.9Confident0 Ų063.2 Ų63.20%033%0.325CS..Hα-helixtrans-58.7-41-178.900000112.2R79 F82 P83 P84 Q89 L90 A91R79-A87 HydrophobicContact CG-CB 4.1Å; F82-A87 HydrophobicContact CB-CB 4.44Å; P83-A87 PolarHBondContact O-N 3.4Å; P83-A87 VanDerWaalsContact O-N 3.14Å; P84-A87 PolarHBondContact O-N 2.73Å; P84-A87 VanDerWaalsContact O-N 3.11Å; A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 2.86Å; A87-L90 PolarHBondContact O-N 3.39Å; A87-A91 PolarHBondContact O-N 3.3Å
88D80.3Confident74.7Confident68 Ų6863 Ų6336%0.36433%0.331SS..Hα-helixtrans-66.5-33.7177.5-64.3-31.7000111.6R79 P84 I86 A91 L92R79-D88 IonicContact CZ-OD1 3.87Å; R79-D88 IonicContact NH1-OD1 3.74Å; R79-D88 PolarHBondContact NH1-OD1 2.98Å; R79-D88 VanDerWaalsContact NH1-OD1 3.14Å; R79-D88 IonicContact NH2-OD1 3.42Å; R79-D88 PolarHBondContact NH2-OD1 3.37Å; P84-D88 WeakPolarHBondContact O-CB 3.42Å; P84-D88 VanDerWaalsContact O-CG 3.24Å; P84-D88 PolarHBondContact O-N 3.23Å; P84-D88 VanDerWaalsContact O-OD2 3.14Å; I86-D88 VanDerWaalsContact C-N 3.29Å; I86-D88 PolarHBondContact O-N 2.85Å; D88-A91 PolarHBondContact O-N 2.78Å; D88-L92 WeakPolarHBondContact O-CG 3.35Å; D88-L92 PolarHBondContact O-N 3.4Å
89Q86.7Confident75.6Confident49 Ų4963.3 Ų63.323%0.22934%0.342CS..Hα-helixtrans-71.5-37.3173.6-70-67.8-46.400112G54 R58 H85 I86 A87 A91 L92G54-Q89 VanDerWaalsContact C-CB 3.47Å; G54-Q89 WeakPolarHBondContact O-CB 3.09Å; R58-Q89 HydrophobicContact CB-CB 4.45Å; R58-Q89 WeakPolarHBondContact CD-O 3Å; R58-Q89 WeakPolarHBondContact CG-O 3.32Å; H85-Q89 VanDerWaalsContact O-CG 3.29Å; H85-Q89 WeakPolarHBondContact O-CG 3.14Å; I86-Q89 WeakPolarHBondContact O-CB 3.16Å; I86-Q89 PolarHBondContact O-N 2.99Å; I86-Q89 VanDerWaalsContact O-N 3.07Å; A87-Q89 VanDerWaalsContact C-N 3.31Å; A87-Q89 PolarHBondContact O-N 2.86Å; Q89-A91 VanDerWaalsContact C-N 3.28Å; Q89-A91 PolarHBondContact O-N 3.39Å; Q89-L92 WeakPolarHBondContact O-CB 3.38Å; Q89-L92 PolarHBondContact O-N 2.79Å; Q89-L92 VanDerWaalsContact O-N 3.14Å
90L84.6Confident76.7Confident0 Ų059.5 Ų59.50%033%0.329CS..Hα-helixtrans-64.2-34.6173.6-66.6178000111.9L57 L61 L75 F82 I86 A87 L92 L93L57-L90 HydrophobicContact CD2-CD1 4.44Å; L57-L90 HydrophobicContact CD2-CD2 3.91Å; L57-L90 HydrophobicContact CD2-CG 4.41Å; L57-L90 HydrophobicContact CG-CD2 4.07Å; L61-L90 HydrophobicContact CD1-CD2 3.44Å; L61-L90 VanDerWaalsContact CD1-CD2 3.44Å; L75-L90 HydrophobicContact CB-CD1 4.01Å; F82-L90 HydrophobicContact CD2-CD1 4.25Å; F82-L90 HydrophobicContact CE2-CD1 4.36Å; I86-L90 HydrophobicContact CG2-CD1 4.23Å; I86-L90 HydrophobicContact CG2-CG 4.35Å; I86-L90 WeakPolarHBondContact O-CG 3.31Å; I86-L90 PolarHBondContact O-N 3.27Å; A87-L90 PolarHBondContact O-N 3.39Å; L90-L92 PolarHBondContact O-N 2.97Å; L90-L93 HydrophobicContact CB-CD1 4.46Å; L90-L93 HydrophobicContact CD2-CD1 4.01Å; L90-L93 VanDerWaalsContact O-CB 3.26Å; L90-L93 WeakPolarHBondContact O-CB 3.28Å; L90-L93 WeakPolarHBondContact O-CD1 3.33Å; L90-L93 VanDerWaalsContact O-CG 3.27Å; L90-L93 WeakPolarHBondContact O-CG 3.38Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-L93 VanDerWaalsContact O-N 3.13Å
91A71.3Confident78.1Confident58 Ų5860.3 Ų60.348%0.47933%0.333SS..Hα-helixtrans-65.1-22174.900000113.1A87 D88 Q89 L93A87-A91 PolarHBondContact O-N 3.3Å; D88-A91 PolarHBondContact O-N 2.78Å; Q89-A91 VanDerWaalsContact C-N 3.28Å; Q89-A91 PolarHBondContact O-N 3.39Å; A91-L93 VanDerWaalsContact C-N 3.29Å
92L76.9Confident79.2Confident93 Ų9358.7 Ų58.749%0.48733%0.326SS..THydrogen-bonded Turntrans-86.47.4175.7-62.2174.3000113.5D88 Q89 L90 Q94D88-L92 WeakPolarHBondContact O-CG 3.35Å; D88-L92 PolarHBondContact O-N 3.4Å; Q89-L92 WeakPolarHBondContact O-CB 3.38Å; Q89-L92 PolarHBondContact O-N 2.79Å; Q89-L92 VanDerWaalsContact O-N 3.14Å; L90-L92 PolarHBondContact O-N 2.97Å; L92-Q94 PolarHBondContact O-N 3.14Å; L92-Q94 VanDerWaalsContact O-N 3.1Å
93L78.2Confident80.1Confident9 Ų962.9 Ų62.95%0.04734%0.344CS..  trans-64.5109.8174.5-79.6168.3000110.1R58 L61 Q62 I69 G72 Q73 L90 A91R58-L93 HydrophobicContact CB-CD2 4.43Å; R58-L93 HydrophobicContact CG-CD2 3.66Å; R58-L93 HydrophobicContact CG-CG 4.03Å; R58-L93 WeakPolarHBondContact O-CD2 3.49Å; L61-L93 HydrophobicContact CB-CD2 4.16Å; L61-L93 HydrophobicContact CD1-CD1 4.06Å; Q62-L93 HydrophobicContact CG-CD2 3.61Å; I69-L93 HydrophobicContact CG2-CB 4.33Å; G72-L93 VanDerWaalsContact C-CD1 3.5Å; G72-L93 VanDerWaalsContact CA-CD1 3.47Å; Q73-L93 HydrophobicContact CG-CB 4Å; Q73-L93 PolarHBondContact NE2-O 2.9Å; L90-L93 HydrophobicContact CB-CD1 4.46Å; L90-L93 HydrophobicContact CD2-CD1 4.01Å; L90-L93 VanDerWaalsContact O-CB 3.26Å; L90-L93 WeakPolarHBondContact O-CB 3.28Å; L90-L93 WeakPolarHBondContact O-CD1 3.33Å; L90-L93 VanDerWaalsContact O-CG 3.27Å; L90-L93 WeakPolarHBondContact O-CG 3.38Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-L93 VanDerWaalsContact O-N 3.13Å; A91-L93 VanDerWaalsContact C-N 3.29Å
94Q63Low80.9Confident109 Ų10963.1 Ų63.151%0.50934%0.341SS..  trans-89.1134.1174-64.6-174.1-6.500110.6L92 K96L92-Q94 PolarHBondContact O-N 3.14Å; L92-Q94 VanDerWaalsContact O-N 3.1Å; Q94-K96 PolarHBondContact O-N 3.32Å
95D62.1Low81.8Confident57 Ų5759 Ų5931%0.30531%0.314SS..  trans-77.139173.9-80.1-47.3000113.5I69 Q73 V97I69-D95 WeakPolarHBondContact CG2-OD1 3.39Å; Q73-D95 PolarHBondContact NE2-OD2 3.21Å; D95-V97 VanDerWaalsContact C-N 3.26Å; D95-V97 PolarHBondContact O-N 2.87Å
96K64.3Low82.3Confident175 Ų17556.1 Ų56.176%0.76130%0.3SS*.  trans-81.279.8172.3-69.6-172.3-177.91800109.5Q94Q94-K96 PolarHBondContact O-N 3.32Å
97V72Confident82.8Confident25 Ų2561.3 Ų61.315%0.15233%0.325CS..PPolyproline II helixtrans-91.1137176-172.40000109.3P66 I69 D95 S132P66-V97 HydrophobicContact CG-CG1 3.75Å; P66-V97 HydrophobicContact CG-CG2 4.1Å; I69-V97 HydrophobicContact CD1-CG2 4.02Å; D95-V97 VanDerWaalsContact C-N 3.26Å; D95-V97 PolarHBondContact O-N 2.87Å; V97-S132 WeakPolarHBondContact O-CB 3.37Å
98A81.7Confident83.5Confident74 Ų7464.2 Ų64.261%0.61234%0.338SS*.PPolyproline II helixtrans-59.3139175.200000111.2R156A98-R156 PolarHBondContact O-NH1 3.39Å; A98-R156 PolarHBondContact O-NH2 3.28Å
99P88.2Confident84.3Confident78 Ų7861 Ų6151%0.50632%0.321SS..PPolyproline II helixtrans-64148.9173.927.5-33.6000111.2P129 S132 Q137P99-P129 HydrophobicContact CB-CG 3.55Å; P99-P129 HydrophobicContact CG-CG 4.31Å; P99-S132 WeakPolarHBondContact CA-OG 3.31Å; P99-Q137 VanDerWaalsContact CB-OE1 3.28Å
100F90.2Very high84.7Confident30 Ų3060.8 Ų60.813%0.13232%0.32CS..PPolyproline II helixtrans-88169.5166.570.3-89.5000110.2G102 L104 A105 Q137 V154 R156 P157F100-G102 PolarHBondContact O-N 3.39Å; F100-G102 VanDerWaalsContact O-N 3.16Å; F100-L104 HydrophobicContact CD2-CB 4.25Å; F100-L104 HydrophobicContact CE2-CB 4.34Å; F100-A105 HydrophobicContact CE2-CB 3.56Å; F100-A105 HydrophobicContact CZ-CB 3.8Å; F100-Q137 HydrophobicContact CD1-CB 3.88Å; F100-Q137 HydrophobicContact CD1-CG 4.41Å; F100-Q137 HydrophobicContact CE1-CB 3.26Å; F100-Q137 HydrophobicContact CE1-CG 4.08Å; F100-Q137 HydrophobicContact CZ-CB 4.05Å; F100-Q137 PolarHBondContact O-NE2 2.85Å; F100-Q137 PolarHBondContact O-OE1 2.65Å; F100-V154 HydrophobicContact CZ-CG1 4.12Å; F100-R156 HydrophobicContact CD1-CB 4.38Å; F100-R156 HydrophobicContact CD1-CG 3.72Å; F100-R156 HydrophobicContact CE1-CB 4.34Å; F100-R156 HydrophobicContact CE1-CG 3.8Å; F100-P157 HydrophobicContact CD2-CG 3.89Å; F100-P157 VanDerWaalsContact CE2-CD 3.41Å; F100-P157 HydrophobicContact CE2-CG 4.06Å; F100-P157 HydrophobicContact CG-CG 4.45Å
101D93Very high85.2Confident88 Ų8864.3 Ų64.347%0.47135%0.349SS..PPolyproline II helixtrans-57.2120.3-177.2-173.9-4.2000111.2K103 L104 A105D101-K103 PolarHBondContact O-N 2.9Å; D101-K103 WeakPolarHBondContact OD1-CB 3.22Å; D101-K103 PolarHBondContact OD1-N 3.22Å; D101-L104 HydrophobicContact CB-CB 4.44Å; D101-L104 HydrophobicContact CB-CD1 4.08Å; D101-L104 HydrophobicContact CB-CG 4.11Å; D101-L104 WeakPolarHBondContact O-CB 3.39Å; D101-L104 PolarHBondContact O-N 3.11Å; D101-A105 PolarHBondContact O-N 3.24Å; D101-A105 VanDerWaalsContact O-N 3.14Å
102G92.9Very high86.2Confident6 Ų663.6 Ų63.66%0.06234%0.344CS..Hα-helixtrans-61.4-21.8177.200000113.5F100 A105 K106 I127F100-G102 PolarHBondContact O-N 3.39Å; F100-G102 VanDerWaalsContact O-N 3.16Å; G102-A105 WeakPolarHBondContact O-CB 3.44Å; G102-A105 PolarHBondContact O-N 3.35Å; G102-K106 PolarHBondContact O-N 3.34Å; G102-I127 WeakPolarHBondContact CA-O 3.39Å
103K94.5Very high87Confident137 Ų13760.3 Ų60.360%0.59633%0.326SS*.Hα-helixtrans-69.4-39.1171.9-66.2-177.9178.4-179.30112.1D101 A105 K106 Q107D101-K103 PolarHBondContact O-N 2.9Å; D101-K103 WeakPolarHBondContact OD1-CB 3.22Å; D101-K103 PolarHBondContact OD1-N 3.22Å; K103-A105 VanDerWaalsContact C-N 3.31Å; K103-K106 WeakPolarHBondContact O-CB 3.39Å; K103-K106 PolarHBondContact O-N 2.96Å; K103-Q107 WeakPolarHBondContact O-CG 3.45Å; K103-Q107 PolarHBondContact O-N 2.73Å
104L94.6Very high87.6Confident73 Ų7363.3 Ų63.338%0.38236%0.359SS..Hα-helixtrans-65.9-39.3173.2-66.9174.8000110.4F100 D101 K106 Q107 Q108 P157F100-L104 HydrophobicContact CD2-CB 4.25Å; F100-L104 HydrophobicContact CE2-CB 4.34Å; D101-L104 HydrophobicContact CB-CB 4.44Å; D101-L104 HydrophobicContact CB-CD1 4.08Å; D101-L104 HydrophobicContact CB-CG 4.11Å; D101-L104 WeakPolarHBondContact O-CB 3.39Å; D101-L104 PolarHBondContact O-N 3.11Å; L104-K106 VanDerWaalsContact C-N 3.35Å; L104-K106 PolarHBondContact O-N 3.03Å; L104-Q107 PolarHBondContact O-N 3.34Å; L104-Q108 WeakPolarHBondContact O-CG 3.11Å; L104-Q108 PolarHBondContact O-N 3.03Å; L104-P157 HydrophobicContact CB-CG 4.42Å; L104-P157 HydrophobicContact CD1-CG 4.24Å
105A94.7Very high88.9Confident0 Ų060.8 Ų60.80%036%0.363CS..Hα-helixtrans-59.2-47.4174.300000111F100 D101 G102 K103 Q107 Q108 I109 H139 V154F100-A105 HydrophobicContact CE2-CB 3.56Å; F100-A105 HydrophobicContact CZ-CB 3.8Å; D101-A105 PolarHBondContact O-N 3.24Å; D101-A105 VanDerWaalsContact O-N 3.14Å; G102-A105 WeakPolarHBondContact O-CB 3.44Å; G102-A105 PolarHBondContact O-N 3.35Å; K103-A105 VanDerWaalsContact C-N 3.31Å; A105-Q107 PolarHBondContact O-N 2.97Å; A105-Q108 PolarHBondContact O-N 3.41Å; A105-I109 VanDerWaalsContact O-CG1 3.28Å; A105-I109 WeakPolarHBondContact O-CG1 3.34Å; A105-I109 PolarHBondContact O-N 3.38Å; A105-H139 VanDerWaalsContact CB-NE2 3.3Å; A105-H139 WeakPolarHBondContact CB-NE2 3.28Å; A105-V154 HydrophobicContact CB-CG1 4.09Å
106K96Very high90.4Very high44 Ų4462.2 Ų62.219%0.19137%0.37CS..Hα-helixtrans-54.9-49.7175.2-167.8-178.6179.5179.20111.4G102 K103 L104 Q108 I109 E110 V118 E119 F125G102-K106 PolarHBondContact O-N 3.34Å; K103-K106 WeakPolarHBondContact O-CB 3.39Å; K103-K106 PolarHBondContact O-N 2.96Å; L104-K106 VanDerWaalsContact C-N 3.35Å; L104-K106 PolarHBondContact O-N 3.03Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; K106-Q108 PolarHBondContact O-N 3.31Å; K106-I109 WeakPolarHBondContact O-CB 3.49Å; K106-I109 PolarHBondContact O-N 3.28Å; K106-E110 WeakPolarHBondContact CE-OE1 3.31Å; K106-E110 IonicContact NZ-OE1 3.18Å; K106-E110 WeakPolarHBondContact O-CG 3.43Å; K106-E110 PolarHBondContact O-N 3.12Å; K106-V118 HydrophobicContact CD-CG2 4.33Å; K106-V118 HydrophobicContact CG-CG2 3.55Å; K106-E119 VanDerWaalsContact NZ-CD 3.33Å; K106-E119 IonicContact NZ-OE1 3.9Å; K106-E119 PolarHBondContact NZ-OE1 3.4Å; K106-E119 IonicContact NZ-OE2 3.6Å; K106-E119 PolarHBondContact NZ-OE2 3.44Å; K106-F125 HydrophobicContact CB-CE1 4.08Å; K106-F125 HydrophobicContact CB-CZ 4.49Å; K106-F125 HydrophobicContact CD-CE1 4.46Å; K106-F125 HydrophobicContact CG-CE1 4.07Å
107Q95.1Very high91.9Very high115 Ų11557.2 Ų57.254%0.53736%0.355SS..Hα-helixtrans-60.6-40178.9-71.8172.4-6.600113K103 L104 A105 E110 A111K103-Q107 WeakPolarHBondContact O-CG 3.45Å; K103-Q107 PolarHBondContact O-N 2.73Å; L104-Q107 PolarHBondContact O-N 3.34Å; A105-Q107 PolarHBondContact O-N 2.97Å; Q107-E110 PolarHBondContact O-N 2.99Å; Q107-A111 WeakPolarHBondContact O-CB 3.48Å; Q107-A111 PolarHBondContact O-N 3.16Å
108Q94.2Very high93Very high60 Ų6056.1 Ų56.128%0.2835%0.348SS..Hα-helixtrans-66.3-39.5176.4-72.9-179.9-61.300112L104 A105 K106 A111 A112 V154 I155L104-Q108 WeakPolarHBondContact O-CG 3.11Å; L104-Q108 PolarHBondContact O-N 3.03Å; A105-Q108 PolarHBondContact O-N 3.41Å; K106-Q108 VanDerWaalsContact C-N 3.34Å; K106-Q108 PolarHBondContact O-N 3.31Å; Q108-A111 PolarHBondContact O-N 3.23Å; Q108-A112 WeakPolarHBondContact O-CB 3.29Å; Q108-A112 PolarHBondContact O-N 3.22Å; Q108-V154 HydrophobicContact CB-CG2 3.98Å; Q108-I155 PolarHBondContact NE2-O 2.95Å; Q108-I155 PolarHBondContact OE1-O 2.84Å
109I95.8Very high93.6Very high0 Ų057 Ų570%034%0.34CS..Hα-helixtrans-62.3-49.9175.3-68.1163.8000109.7A105 K106 A111 A112 M113 V118 F122 F125 I152 V154 M240A105-I109 VanDerWaalsContact O-CG1 3.28Å; A105-I109 WeakPolarHBondContact O-CG1 3.34Å; A105-I109 PolarHBondContact O-N 3.38Å; K106-I109 WeakPolarHBondContact O-CB 3.49Å; K106-I109 PolarHBondContact O-N 3.28Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 2.99Å; I109-A112 PolarHBondContact O-N 2.77Å; I109-A112 VanDerWaalsContact O-N 3.15Å; I109-M113 HydrophobicContact CG2-SD 4.06Å; I109-M113 WeakPolarHBondContact O-CB 3.45Å; I109-M113 VanDerWaalsContact O-CG 3.27Å; I109-M113 WeakPolarHBondContact O-CG 3.46Å; I109-M113 PolarHBondContact O-N 3.32Å; I109-V118 HydrophobicContact CB-CG2 4.38Å; I109-V118 HydrophobicContact CG2-CG2 3.93Å; I109-F122 HydrophobicContact CG2-CE2 4.48Å; I109-F125 HydrophobicContact CD1-CE2 3.6Å; I109-F125 HydrophobicContact CD1-CZ 3.76Å; I109-I152 HydrophobicContact CD1-CB 4.48Å; I109-I152 HydrophobicContact CD1-CG2 3.79Å; I109-I152 HydrophobicContact CG1-CG2 3.99Å; I109-V154 HydrophobicContact CG1-CB 4.48Å; I109-M240 HydrophobicContact CB-SD 4.08Å; I109-M240 HydrophobicContact CG1-SD 3.93Å; I109-M240 HydrophobicContact CG2-SD 3.79Å
110E96.2Very high93.9Very high45 Ų4555.5 Ų55.521%0.2133%0.334CS..Hα-helixtrans-57.3-44.8177.4-67.4174.2158.300111.5K106 Q107 M113 G115 L116 P117 V118K106-E110 WeakPolarHBondContact CE-OE1 3.31Å; K106-E110 IonicContact NZ-OE1 3.18Å; K106-E110 WeakPolarHBondContact O-CG 3.43Å; K106-E110 PolarHBondContact O-N 3.12Å; Q107-E110 PolarHBondContact O-N 2.99Å; E110-M113 CarbonylContact O-C 3.48Å; E110-M113 PolarHBondContact O-N 3.18Å; E110-M113 VanDerWaalsContact O-N 3.17Å; E110-G115 VanDerWaalsContact O-CA 3.24Å; E110-G115 WeakPolarHBondContact O-CA 3.44Å; E110-G115 PolarHBondContact O-N 3.12Å; E110-L116 WeakPolarHBondContact CB-O 3.49Å; E110-L116 WeakPolarHBondContact CG-O 3.16Å; E110-P117 WeakPolarHBondContact OE1-CA 3.32Å; E110-V118 HydrophobicContact CG-CG2 3.46Å; E110-V118 VanDerWaalsContact CG-CG2 3.46Å; E110-V118 PolarHBondContact OE1-N 3.3Å
111A94.6Very high94.1Very high74 Ų7458.5 Ų58.561%0.61235%0.345SS*.Hα-helixtrans-62.8-42.4176.600000112.6Q107 Q108 I109 M113 G114Q107-A111 WeakPolarHBondContact O-CB 3.48Å; Q107-A111 PolarHBondContact O-N 3.16Å; Q108-A111 PolarHBondContact O-N 3.23Å; I109-A111 VanDerWaalsContact C-N 3.31Å; I109-A111 PolarHBondContact O-N 2.99Å; A111-M113 PolarHBondContact O-N 3.27Å; A111-G114 PolarHBondContact O-N 3.32Å
112A92.9Very high94.3Very high44 Ų4454.4 Ų54.436%0.36432%0.323SS..Hα-helixtrans-65.6-23.8176.500000112.6Q108 I109 M240Q108-A112 WeakPolarHBondContact O-CB 3.29Å; Q108-A112 PolarHBondContact O-N 3.22Å; I109-A112 PolarHBondContact O-N 2.77Å; I109-A112 VanDerWaalsContact O-N 3.15Å; A112-M240 HydrophobicContact CB-CB 4.26Å; A112-M240 HydrophobicContact CB-CE 4.08Å; A112-M240 HydrophobicContact CB-SD 4.14Å
113M92Very high94.5Very high23 Ų2357.2 Ų57.211%0.11334%0.336CS..THydrogen-bonded Turntrans-10230-179.2-61.4-168.68400113.7I109 E110 A111 W121 F122 Y235 M240I109-M113 HydrophobicContact CG2-SD 4.06Å; I109-M113 WeakPolarHBondContact O-CB 3.45Å; I109-M113 VanDerWaalsContact O-CG 3.27Å; I109-M113 WeakPolarHBondContact O-CG 3.46Å; I109-M113 PolarHBondContact O-N 3.32Å; E110-M113 CarbonylContact O-C 3.48Å; E110-M113 PolarHBondContact O-N 3.18Å; E110-M113 VanDerWaalsContact O-N 3.17Å; A111-M113 PolarHBondContact O-N 3.27Å; M113-W121 HydrophobicContact CE-CB 3.5Å; M113-W121 VanDerWaalsContact CE-CD1 3.41Å; M113-W121 HydrophobicContact CE-CD2 3.53Å; M113-W121 HydrophobicContact CE-CE3 4.2Å; M113-W121 HydrophobicContact CE-CG 3.18Å; M113-W121 HydrophobicContact SD-CB 4.17Å; M113-W121 HydrophobicContact SD-CG 3.98Å; M113-F122 HydrophobicContact CE-CE2 3.84Å; M113-F122 HydrophobicContact CE-CZ 4.02Å; M113-F122 HydrophobicContact SD-CD2 4.3Å; M113-F122 HydrophobicContact SD-CE2 3.37Å; M113-F122 WeakPolarHBondContact SD-CE2 3.47Å; M113-F122 HydrophobicContact SD-CZ 4.01Å; M113-Y235 HydrophobicContact CE-CD1 3.68Å; M113-Y235 HydrophobicContact CE-CE1 4.32Å; M113-M240 HydrophobicContact CG-CE 3.54Å; M113-M240 HydrophobicContact CG-SD 4.35Å; M113-M240 HydrophobicContact SD-CE 4.06Å
114G91.1Very high94.6Very high72 Ų7256.2 Ų56.274%0.74234%0.337SS*.THydrogen-bonded Turntrans8015.6174.900000115A111A111-G114 PolarHBondContact O-N 3.32Å
115G91.5Very high94.7Very high57 Ų5754.2 Ų54.259%0.58833%0.326SS*.THydrogen-bonded Turntrans82.98.6175.900000114.9E110E110-G115 VanDerWaalsContact O-CA 3.24Å; E110-G115 WeakPolarHBondContact O-CA 3.44Å; E110-G115 PolarHBondContact O-N 3.12Å
116L93.3Very high94.8Very high87 Ų8758.5 Ų58.546%0.45535%0.346SS..  trans-81.7151.4173.2-65.3176.6000110.9E110 A120 W121E110-L116 WeakPolarHBondContact CB-O 3.49Å; E110-L116 WeakPolarHBondContact CG-O 3.16Å; L116-A120 HydrophobicContact CB-CB 4.21Å; L116-W121 HydrophobicContact CD1-CZ2 4.11Å
117P94.9Very high94.8Very high70 Ų7060.4 Ų60.446%0.45536%0.357SS..  trans-56.2146.6172.8-23.433.4000112E110 E119 A120E110-P117 WeakPolarHBondContact OE1-CA 3.32Å; P117-E119 PolarHBondContact O-N 3.42Å; P117-E119 VanDerWaalsContact O-N 3.12Å; P117-A120 WeakPolarHBondContact O-CB 3.37Å; P117-A120 PolarHBondContact O-N 3.15Å
118V94.6Very high94.8Very high1 Ų162.8 Ų62.81%0.00637%0.366CS..G310 helixtrans-54.3-35.8178.8-178.60000111.5K106 I109 E110 A120 W121 F122 F125K106-V118 HydrophobicContact CD-CG2 4.33Å; K106-V118 HydrophobicContact CG-CG2 3.55Å; I109-V118 HydrophobicContact CB-CG2 4.38Å; I109-V118 HydrophobicContact CG2-CG2 3.93Å; E110-V118 HydrophobicContact CG-CG2 3.46Å; E110-V118 VanDerWaalsContact CG-CG2 3.46Å; E110-V118 PolarHBondContact OE1-N 3.3Å; V118-A120 PolarHBondContact O-N 3.02Å; V118-A120 VanDerWaalsContact O-N 3.11Å; V118-W121 PolarHBondContact O-N 3.27Å; V118-F122 HydrophobicContact CG1-CB 4.3Å; V118-F122 HydrophobicContact CG1-CD2 3.7Å; V118-F122 HydrophobicContact CG1-CG 4.47Å; V118-F122 PolarHBondContact O-N 3.35Å; V118-F125 HydrophobicContact CG1-CB 3.91Å; V118-F125 HydrophobicContact CG1-CD1 4.37Å; V118-F125 HydrophobicContact CG1-CD2 3.88Å; V118-F125 HydrophobicContact CG1-CG 3.78Å
119E95.3Very high94.9Very high92 Ų9261.2 Ų61.243%0.4336%0.361SS..G310 helixtrans-63.7-13.4179.3-6478.9-173.600114.2K106 P117 W121 F122 K144K106-E119 VanDerWaalsContact NZ-CD 3.33Å; K106-E119 IonicContact NZ-OE1 3.9Å; K106-E119 PolarHBondContact NZ-OE1 3.4Å; K106-E119 IonicContact NZ-OE2 3.6Å; K106-E119 PolarHBondContact NZ-OE2 3.44Å; P117-E119 PolarHBondContact O-N 3.42Å; P117-E119 VanDerWaalsContact O-N 3.12Å; E119-W121 VanDerWaalsContact C-N 3.29Å; E119-F122 WeakPolarHBondContact CA-O 3.4Å; E119-K144 PolarHBondContact O-NZ 3.04Å
120A95Very high94.8Very high48 Ų4865.8 Ų65.840%0.39739%0.385SS..G310 helixtrans-71.3-28.7172.500000111.7L116 P117 V118L116-A120 HydrophobicContact CB-CB 4.21Å; P117-A120 WeakPolarHBondContact O-CB 3.37Å; P117-A120 PolarHBondContact O-N 3.15Å; V118-A120 PolarHBondContact O-N 3.02Å; V118-A120 VanDerWaalsContact O-N 3.11Å
121W94.9Very high94.4Very high93 Ų9366 Ų6635%0.35240%0.395SS..THydrogen-bonded Turntrans-115.8-31-172.2-57.7104.5000113.7M113 L116 V118 E119 K144 Y235M113-W121 HydrophobicContact CE-CB 3.5Å; M113-W121 VanDerWaalsContact CE-CD1 3.41Å; M113-W121 HydrophobicContact CE-CD2 3.53Å; M113-W121 HydrophobicContact CE-CE3 4.2Å; M113-W121 HydrophobicContact CE-CG 3.18Å; M113-W121 HydrophobicContact SD-CB 4.17Å; M113-W121 HydrophobicContact SD-CG 3.98Å; L116-W121 HydrophobicContact CD1-CZ2 4.11Å; V118-W121 PolarHBondContact O-N 3.27Å; E119-W121 VanDerWaalsContact C-N 3.29Å; W121-K144 VanDerWaalsContact O-CB 3.25Å; W121-K144 WeakPolarHBondContact O-CB 3.44Å; W121-K144 PolarHBondContact O-N 3.01Å; W121-Y235 HydrophobicContact CE3-CE1 4.03Å
122F96.9Very high94.1Very high2 Ų263.8 Ų63.81%0.00937%0.374CS..EExtended strand (participates in β ladder)trans-131143.8-176-48.6-81.3000112.6I109 M113 V118 E119 A141 R142 L143 V150 I152 Y235 V242I109-F122 HydrophobicContact CG2-CE2 4.48Å; M113-F122 HydrophobicContact CE-CE2 3.84Å; M113-F122 HydrophobicContact CE-CZ 4.02Å; M113-F122 HydrophobicContact SD-CD2 4.3Å; M113-F122 HydrophobicContact SD-CE2 3.37Å; M113-F122 WeakPolarHBondContact SD-CE2 3.47Å; M113-F122 HydrophobicContact SD-CZ 4.01Å; V118-F122 HydrophobicContact CG1-CB 4.3Å; V118-F122 HydrophobicContact CG1-CD2 3.7Å; V118-F122 HydrophobicContact CG1-CG 4.47Å; V118-F122 PolarHBondContact O-N 3.35Å; E119-F122 WeakPolarHBondContact CA-O 3.4Å; F122-A141 HydrophobicContact CB-CB 3.83Å; F122-A141 HydrophobicContact CD1-CB 4.18Å; F122-A141 HydrophobicContact CG-CB 4.11Å; F122-R142 CarbonylContact C-O 3.42Å; F122-R142 WeakPolarHBondContact CA-O 3.41Å; F122-R142 WeakPolarHBondContact CB-O 3.37Å; F122-L143 HydrophobicContact CD1-CD2 3.92Å; F122-L143 HydrophobicContact CE1-CD2 3.58Å; F122-L143 HydrophobicContact CE1-CG 4.47Å; F122-V150 HydrophobicContact CD1-CG2 4.06Å; F122-V150 HydrophobicContact CE1-CG2 4.1Å; F122-I152 HydrophobicContact CD1-CD1 4.32Å; F122-I152 HydrophobicContact CD2-CD1 3.95Å; F122-I152 HydrophobicContact CE1-CD1 4.13Å; F122-I152 HydrophobicContact CE2-CD1 3.69Å; F122-I152 HydrophobicContact CG-CD1 4.24Å; F122-I152 HydrophobicContact CZ-CD1 3.82Å; F122-I152 HydrophobicContact CZ-CG1 4.41Å; F122-Y235 HydrophobicContact CE1-CD1 4.27Å; F122-Y235 HydrophobicContact CZ-CD1 4.05Å; F122-V242 HydrophobicContact CE1-CG1 4.13Å; F122-V242 HydrophobicContact CZ-CG1 4.43Å; F122-V242 HydrophobicContact CZ-CG2 4.11Å
123D96.8Very high93.5Very high64 Ų6463.1 Ų63.134%0.34237%0.369SS..EExtended strand (participates in β ladder)trans-96.8163.1165.3-58.5-46.5000109.7F125 R142D123-F125 VanDerWaalsContact C-N 3.25Å; D123-F125 PolarHBondContact O-N 2.92Å; D123-F125 VanDerWaalsContact O-N 3.09Å; D123-R142 HydrophobicContact CB-CB 4.4Å; D123-R142 PolarHBondContact N-O 2.87Å; D123-R142 PolarHBondContact O-N 3.44Å
124D95.5Very high92.8Very high116 Ų11662.2 Ų62.262%0.6237%0.365SS*.SBendtrans52.133.4174.1-56.3-33.5000115.7E126D124-E126 PolarHBondContact O-N 3.19Å
125F96.7Very high92.6Very high31 Ų3159.4 Ų59.414%0.13633%0.333CS..  trans-64.4118.1177.3177.3-98.2000111.8K106 I109 V118 D123 I127 H139 T140 A141 I152K106-F125 HydrophobicContact CB-CE1 4.08Å; K106-F125 HydrophobicContact CB-CZ 4.49Å; K106-F125 HydrophobicContact CD-CE1 4.46Å; K106-F125 HydrophobicContact CG-CE1 4.07Å; I109-F125 HydrophobicContact CD1-CE2 3.6Å; I109-F125 HydrophobicContact CD1-CZ 3.76Å; V118-F125 HydrophobicContact CG1-CB 3.91Å; V118-F125 HydrophobicContact CG1-CD1 4.37Å; V118-F125 HydrophobicContact CG1-CD2 3.88Å; V118-F125 HydrophobicContact CG1-CG 3.78Å; D123-F125 VanDerWaalsContact C-N 3.25Å; D123-F125 PolarHBondContact O-N 2.92Å; D123-F125 VanDerWaalsContact O-N 3.09Å; F125-I127 HydrophobicContact CD1-CG1 4.39Å; F125-I127 HydrophobicContact CE1-CG1 4.19Å; F125-H139 HydrophobicContact CD2-CB 4.46Å; F125-H139 HydrophobicContact CE2-CB 3.61Å; F125-H139 HydrophobicContact CZ-CB 4.03Å; F125-H139 AromaticContact CZ-CG 3.94Å; F125-H139 AromaticContact CZ-ND1 3.84Å; F125-T140 WeakPolarHBondContact CA-O 3.42Å; F125-A141 HydrophobicContact CB-CB 4.38Å; F125-A141 HydrophobicContact CD2-CB 4.18Å; F125-I152 HydrophobicContact CD2-CD1 4.06Å; F125-I152 HydrophobicContact CE2-CD1 4.14Å
126E97Very high92.6Very high90 Ų9056.7 Ų56.742%0.42131%0.305SS..  trans-88.4115.3177.2-67.7-177.3-125.600111.8D124 K128 H139 T140D124-E126 PolarHBondContact O-N 3.19Å; E126-K128 PolarHBondContact O-N 3.07Å; E126-H139 PolarHBondContact O-ND1 3.04Å; E126-T140 WeakPolarHBondContact CB-OG1 3.35Å; E126-T140 VanDerWaalsContact CG-OG1 3.32Å; E126-T140 WeakPolarHBondContact CG-OG1 3.29Å; E126-T140 PolarHBondContact N-O 3.38Å; E126-T140 PolarHBondContact OE1-OG1 2.93Å
127I95.8Very high92.6Very high85 Ų8552.5 Ų52.544%0.43628%0.283SS..SBendtrans-62.9-33.4173.4-64.3175.7000111.1G102 F125 H139G102-I127 WeakPolarHBondContact CA-O 3.39Å; F125-I127 HydrophobicContact CD1-CG1 4.39Å; F125-I127 HydrophobicContact CE1-CG1 4.19Å; I127-H139 PolarHBondContact O-CE1 3.38Å
128K96Very high92.6Very high164 Ų16450.2 Ų50.271%0.71327%0.267SS*.SBendtrans-73.9123.5173.6-174.6-177.8176.2-173.10108E126E126-K128 PolarHBondContact O-N 3.07Å
129P95.6Very high92.8Very high28 Ų2850.1 Ų50.118%0.18227%0.267CS..  trans-68.8145.5-178.927.8-34.4000111.7P99 Q137 V138P99-P129 HydrophobicContact CB-CG 3.55Å; P99-P129 HydrophobicContact CG-CG 4.31Å; P129-Q137 HydrophobicContact CB-CG 3.42Å; P129-Q137 VanDerWaalsContact CB-CG 3.42Å; P129-Q137 HydrophobicContact CG-CG 4.09Å; P129-V138 CarbonylContact C-O 3.54Å; P129-V138 WeakPolarHBondContact CA-O 3.28Å; P129-V138 WeakPolarHBondContact CB-O 3.42Å
130L93.4Very high92.9Very high96 Ų9645.8 Ų45.850%0.50325%0.247SC..SBendtrans-68.4-45.7170.1177.567.7000110.6V138 T140 V151L130-V138 HydrophobicContact CD2-CG1 4.42Å; L130-V138 PolarHBondContact N-O 2.81Å; L130-T140 HydrophobicContact CB-CG2 3.97Å; L130-T140 HydrophobicContact CD1-CG2 4.38Å; L130-T140 HydrophobicContact CD2-CG2 3.86Å; L130-T140 HydrophobicContact CG-CG2 4.29Å; L130-V151 HydrophobicContact CD2-CG1 3.97Å
131A89.4Confident93Very high50 Ų5043.8 Ų43.841%0.41323%0.23SC..EExtended strand (participates in β ladder)trans-147.9156.4-178.800000111V138A131-V138 HydrophobicContact CB-CB 4.31Å; A131-V138 PolarHBondContact N-O 3.05Å; A131-V138 PolarHBondContact O-N 2.72Å
132S87.2Confident93.2Very high26 Ų2643.7 Ų43.718%0.18223%0.23CC..EExtended strand (participates in β ladder)trans-131.1119176.8-155.60000109V97 P99 R156V97-S132 WeakPolarHBondContact O-CB 3.37Å; P99-S132 WeakPolarHBondContact CA-OG 3.31Å; S132-R156 PolarHBondContact OG-NH2 2.94Å
133A80.3Confident93.2Very high31 Ų3143.6 Ų43.626%0.25623%0.23SC..  trans-102.5-178.1178.500000110.3I135 A136 R156A133-I135 PolarHBondContact O-N 2.89Å; A133-A136 CarbonylContact C-O 3.49Å; A133-A136 WeakPolarHBondContact CA-O 3.39Å; A133-A136 PolarHBondContact N-O 3.28Å; A133-R156 PolarHBondContact O-NE 3.16Å; A133-R156 PolarHBondContact O-NH2 3.02Å
134S78.2Confident93.1Very high4 Ų445.9 Ų45.93%0.02824%0.236CC..SBendtrans-55.6-55.7-177.665.50000112.6P66 K70 R156P66-S134 WeakPolarHBondContact CB-O 3.49Å; P66-S134 WeakPolarHBondContact CG-O 3.06Å; K70-S134 WeakPolarHBondContact CD-OG 3.47Å; K70-S134 WeakPolarHBondContact CE-OG 3.5Å; K70-S134 PolarHBondContact NZ-OG 3.41Å; S134-R156 WeakPolarHBondContact O-CD 3.48Å; S134-R156 PolarHBondContact O-NE 3.46Å
135I86.5Confident93.1Very high12 Ų1244.3 Ų44.36%0.06224%0.235CC..SBendtrans-109.1-10.4-173.761.8168.7000113.5A133 I155 R156 L200 E203A133-I135 PolarHBondContact O-N 2.89Å; I135-I155 HydrophobicContact CD1-CD1 4.11Å; I135-I155 HydrophobicContact CG1-CD1 4.33Å; I135-I155 WeakPolarHBondContact O-CA 3.39Å; I135-R156 WeakPolarHBondContact O-CG 3.3Å; I135-R156 PolarHBondContact O-N 2.91Å; I135-L200 HydrophobicContact CG2-CD1 4.24Å; I135-E203 HydrophobicContact CD1-CB 3.42Å; I135-E203 VanDerWaalsContact CD1-CB 3.42Å; I135-E203 HydrophobicContact CD1-CG 4.47Å; I135-E203 WeakPolarHBondContact CD1-O 3.35Å
136A91.4Very high93Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-136.2162.4-173.100000111.8A133 K153 V154 I155A133-A136 CarbonylContact C-O 3.49Å; A133-A136 WeakPolarHBondContact CA-O 3.39Å; A133-A136 PolarHBondContact N-O 3.28Å; A136-K153 HydrophobicContact CB-CD 4.37Å; A136-K153 HydrophobicContact CB-CG 3.76Å; A136-V154 CarbonylContact C-O 3.56Å; A136-V154 WeakPolarHBondContact CA-O 3.43Å; A136-V154 WeakPolarHBondContact CB-O 3.19Å; A136-I155 HydrophobicContact CB-CD1 4.28Å
137Q93.3Very high92.9Very high0 Ų044.3 Ų44.30%025%0.248CC..EExtended strand (participates in β ladder)trans-130.5147.3174.4-177.5164.9-63.100109.3P99 F100 P129 H139 K153 V154P99-Q137 VanDerWaalsContact CB-OE1 3.28Å; F100-Q137 HydrophobicContact CD1-CB 3.88Å; F100-Q137 HydrophobicContact CD1-CG 4.41Å; F100-Q137 HydrophobicContact CE1-CB 3.26Å; F100-Q137 HydrophobicContact CE1-CG 4.08Å; F100-Q137 HydrophobicContact CZ-CB 4.05Å; F100-Q137 PolarHBondContact O-NE2 2.85Å; F100-Q137 PolarHBondContact O-OE1 2.65Å; P129-Q137 HydrophobicContact CB-CG 3.42Å; P129-Q137 VanDerWaalsContact CB-CG 3.42Å; P129-Q137 HydrophobicContact CG-CG 4.09Å; Q137-H139 PolarHBondContact NE2-CE1 3.46Å; Q137-H139 PolarHBondContact NE2-NE2 3.06Å; Q137-K153 CarbonylContact O-C 3.23Å; Q137-K153 WeakPolarHBondContact O-CA 3.38Å; Q137-V154 PolarHBondContact N-O 3.41Å; Q137-V154 WeakPolarHBondContact O-CG1 3.36Å; Q137-V154 PolarHBondContact O-N 3.1Å
138V95.5Very high93Very high21 Ų2144.5 Ų44.513%0.12725%0.245CC..EExtended strand (participates in β ladder)trans-115.1126-174.2-1750000109.4P129 L130 A131 V151 I152 K153P129-V138 CarbonylContact C-O 3.54Å; P129-V138 WeakPolarHBondContact CA-O 3.28Å; P129-V138 WeakPolarHBondContact CB-O 3.42Å; L130-V138 HydrophobicContact CD2-CG1 4.42Å; L130-V138 PolarHBondContact N-O 2.81Å; A131-V138 HydrophobicContact CB-CB 4.31Å; A131-V138 PolarHBondContact N-O 3.05Å; A131-V138 PolarHBondContact O-N 2.72Å; V138-V151 HydrophobicContact CG1-CB 3.67Å; V138-V151 HydrophobicContact CG1-CG1 4.13Å; V138-V151 HydrophobicContact CG1-CG2 4.32Å; V138-I152 WeakPolarHBondContact CA-O 3.32Å; V138-K153 HydrophobicContact CG2-CB 4.4Å; V138-K153 HydrophobicContact CG2-CG 4.25Å
139H97.8Very high93.1Very high0 Ų039.8 Ų39.80%023%0.226CC..EExtended strand (participates in β ladder)trans-114.6153.7175.2-69.4-96.6000110.5A105 F125 E126 I127 Q137 V151 I152A105-H139 VanDerWaalsContact CB-NE2 3.3Å; A105-H139 WeakPolarHBondContact CB-NE2 3.28Å; F125-H139 HydrophobicContact CD2-CB 4.46Å; F125-H139 HydrophobicContact CE2-CB 3.61Å; F125-H139 HydrophobicContact CZ-CB 4.03Å; F125-H139 AromaticContact CZ-CG 3.94Å; F125-H139 AromaticContact CZ-ND1 3.84Å; E126-H139 PolarHBondContact O-ND1 3.04Å; I127-H139 PolarHBondContact O-CE1 3.38Å; Q137-H139 PolarHBondContact NE2-CE1 3.46Å; Q137-H139 PolarHBondContact NE2-NE2 3.06Å; H139-V151 CarbonylContact O-C 3.56Å; H139-V151 VanDerWaalsContact O-CA 3.24Å; H139-V151 WeakPolarHBondContact O-CA 3.47Å; H139-I152 PolarHBondContact N-O 3.36Å; H139-I152 PolarHBondContact O-N 3.48Å
140T98.1Very high93.2Very high1 Ų138.5 Ų38.51%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-100.1145.3176.743.70000110.2F125 E126 L130 V151F125-T140 WeakPolarHBondContact CA-O 3.42Å; E126-T140 WeakPolarHBondContact CB-OG1 3.35Å; E126-T140 VanDerWaalsContact CG-OG1 3.32Å; E126-T140 WeakPolarHBondContact CG-OG1 3.29Å; E126-T140 PolarHBondContact N-O 3.38Å; E126-T140 PolarHBondContact OE1-OG1 2.93Å; L130-T140 HydrophobicContact CB-CG2 3.97Å; L130-T140 HydrophobicContact CD1-CG2 4.38Å; L130-T140 HydrophobicContact CD2-CG2 3.86Å; L130-T140 HydrophobicContact CG-CG2 4.29Å; T140-V151 HydrophobicContact CG2-CG1 4.26Å
141A97.8Very high93.4Very high6 Ų634.6 Ų34.65%0.0520%0.197CC..EExtended strand (participates in β ladder)trans-159-179.317400000110.3F122 F125 V150 I152F122-A141 HydrophobicContact CB-CB 3.83Å; F122-A141 HydrophobicContact CD1-CB 4.18Å; F122-A141 HydrophobicContact CG-CB 4.11Å; F125-A141 HydrophobicContact CB-CB 4.38Å; F125-A141 HydrophobicContact CD2-CB 4.18Å; A141-V150 HydrophobicContact CB-CG2 4.09Å; A141-V150 PolarHBondContact N-O 2.81Å; A141-V150 WeakPolarHBondContact O-CG2 3.39Å; A141-V150 PolarHBondContact O-N 3.23Å; A141-V150 VanDerWaalsContact O-O 3.06Å; A141-I152 HydrophobicContact CB-CD1 3.88Å; A141-I152 HydrophobicContact CB-CG1 4.48Å
142R98.1Very high93.8Very high90 Ų9032.2 Ų32.234%0.3418%0.178SC..EExtended strand (participates in β ladder)trans-127.6133.2172.7-173.4172.5-69-162.4-1.7110F122 D123 K144 G147 K148 E149F122-R142 CarbonylContact C-O 3.42Å; F122-R142 WeakPolarHBondContact CA-O 3.41Å; F122-R142 WeakPolarHBondContact CB-O 3.37Å; D123-R142 HydrophobicContact CB-CB 4.4Å; D123-R142 PolarHBondContact N-O 2.87Å; D123-R142 PolarHBondContact O-N 3.44Å; R142-K144 PolarHBondContact O-N 3.22Å; R142-G147 VanDerWaalsContact CD-O 3.23Å; R142-G147 WeakPolarHBondContact CD-O 3.32Å; R142-G147 VanDerWaalsContact CG-C 3.47Å; R142-G147 WeakPolarHBondContact CG-O 3.18Å; R142-K148 CarbonylContact C-O 3.53Å; R142-K148 WeakPolarHBondContact CA-O 3.21Å; R142-E149 IonicContact CZ-OE1 2.84Å; R142-E149 IonicContact NH2-OE1 2.64Å; R142-E149 PolarHBondContact NH2-OE1 3.16Å
143L97Very high94.2Very high1 Ų131.7 Ų31.71%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-66125.1176.6-78.2170.2000110.4F122 S145 N146 G147 K148 V150 Y232 Y235F122-L143 HydrophobicContact CD1-CD2 3.92Å; F122-L143 HydrophobicContact CE1-CD2 3.58Å; F122-L143 HydrophobicContact CE1-CG 4.47Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.4Å; L143-N146 VanDerWaalsContact CB-OD1 3.29Å; L143-N146 WeakPolarHBondContact CB-OD1 3.34Å; L143-G147 WeakPolarHBondContact O-CA 3.35Å; L143-G147 PolarHBondContact O-N 3.43Å; L143-K148 HydrophobicContact CD1-CB 4.43Å; L143-K148 PolarHBondContact N-O 3.38Å; L143-V150 HydrophobicContact CD1-CG1 3.67Å; L143-V150 HydrophobicContact CG-CG1 3.64Å; L143-V150 HydrophobicContact CG-CG2 4.3Å; L143-Y232 HydrophobicContact CD1-CD1 3.75Å; L143-Y232 HydrophobicContact CD1-CD2 4.09Å; L143-Y232 HydrophobicContact CD1-CE1 3.61Å; L143-Y232 HydrophobicContact CD1-CE2 3.96Å; L143-Y232 HydrophobicContact CD1-CG 3.98Å; L143-Y235 HydrophobicContact CD2-CD1 4.1Å; L143-Y235 HydrophobicContact CD2-CD2 4.24Å; L143-Y235 HydrophobicContact CD2-CE1 3.71Å; L143-Y235 HydrophobicContact CD2-CE2 3.85Å; L143-Y235 HydrophobicContact CD2-CG 4.35Å
144K95.1Very high95Very high112 Ų11230.3 Ų30.349%0.48716%0.161SC..THydrogen-bonded Turntrans-69-27.3-179.8-165.4170.2-157.9164.90113.3E119 W121 R142E119-K144 PolarHBondContact O-NZ 3.04Å; W121-K144 VanDerWaalsContact O-CB 3.25Å; W121-K144 WeakPolarHBondContact O-CB 3.44Å; W121-K144 PolarHBondContact O-N 3.01Å; R142-K144 PolarHBondContact O-N 3.22Å
145S94.5Very high95.8Very high83 Ų8330.9 Ų30.958%0.5816%0.163SC*.THydrogen-bonded Turntrans-68.4-32.2-177.652.80000113.6L143 Y235L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 3.4Å; S145-Y235 PolarHBondContact OG-OH 2.74Å
146N94.4Very high96Very high82 Ų8231.6 Ų31.644%0.43917%0.165SC..THydrogen-bonded Turntrans-143.1-0.5-173.262.917000114.7L143 K148L143-N146 VanDerWaalsContact CB-OD1 3.29Å; L143-N146 WeakPolarHBondContact CB-OD1 3.34Å; N146-K148 VanDerWaalsContact C-N 3.25Å; N146-K148 PolarHBondContact O-N 2.98Å; N146-K148 WeakPolarHBondContact OD1-CB 3.33Å; N146-K148 WeakPolarHBondContact OD1-CG 3.44Å; N146-K148 PolarHBondContact OD1-N 3.12Å
147G95.6Very high95.9Very high38 Ų3833.3 Ų33.339%0.39218%0.176SC..  trans72.96.9-179.700000115.4R142 L143R142-G147 VanDerWaalsContact CD-O 3.23Å; R142-G147 WeakPolarHBondContact CD-O 3.32Å; R142-G147 VanDerWaalsContact CG-C 3.47Å; R142-G147 WeakPolarHBondContact CG-O 3.18Å; L143-G147 WeakPolarHBondContact O-CA 3.35Å; L143-G147 PolarHBondContact O-N 3.43Å
148K97.4Very high95.4Very high89 Ų8939.7 Ų39.739%0.38721%0.21SC..  trans-69.5138.9179.3-70.3-172.2179.4-178.10111.3R142 L143 N146 E230 Y232R142-K148 CarbonylContact C-O 3.53Å; R142-K148 WeakPolarHBondContact CA-O 3.21Å; L143-K148 HydrophobicContact CD1-CB 4.43Å; L143-K148 PolarHBondContact N-O 3.38Å; N146-K148 VanDerWaalsContact C-N 3.25Å; N146-K148 PolarHBondContact O-N 2.98Å; N146-K148 WeakPolarHBondContact OD1-CB 3.33Å; N146-K148 WeakPolarHBondContact OD1-CG 3.44Å; N146-K148 PolarHBondContact OD1-N 3.12Å; K148-E230 IonicContact NZ-OE1 3.87Å; K148-E230 IonicContact NZ-OE2 3.81Å; K148-E230 PolarHBondContact NZ-OE2 2.82Å; K148-Y232 HydrophobicContact CD-CE1 4.17Å; K148-Y232 WeakPolarHBondContact CD-OH 3.47Å
149E98.2Very high94.9Very high66 Ų6639.5 Ų39.531%0.30821%0.209SC..EExtended strand (participates in β ladder)trans-75.6135175.2-58.5-165.5140.700111.3R142 R245 Y247R142-E149 IonicContact CZ-OE1 2.84Å; R142-E149 IonicContact NH2-OE1 2.64Å; R142-E149 PolarHBondContact NH2-OE1 3.16Å; E149-R245 HydrophobicContact CB-CB 3.95Å; E149-R245 PolarHBondContact O-N 3.15Å; E149-Y247 WeakPolarHBondContact OE2-CE2 3.25Å; E149-Y247 PolarHBondContact OE2-OH 3.28Å
150V98.1Very high94.4Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-135.3159-175.1-61.50000112.2F122 A141 L143 Y232 V242 M243F122-V150 HydrophobicContact CD1-CG2 4.06Å; F122-V150 HydrophobicContact CE1-CG2 4.1Å; A141-V150 HydrophobicContact CB-CG2 4.09Å; A141-V150 PolarHBondContact N-O 2.81Å; A141-V150 WeakPolarHBondContact O-CG2 3.39Å; A141-V150 PolarHBondContact O-N 3.23Å; A141-V150 VanDerWaalsContact O-O 3.06Å; L143-V150 HydrophobicContact CD1-CG1 3.67Å; L143-V150 HydrophobicContact CG-CG1 3.64Å; L143-V150 HydrophobicContact CG-CG2 4.3Å; V150-Y232 HydrophobicContact CG1-CD2 3.94Å; V150-Y232 HydrophobicContact CG1-CE2 3.41Å; V150-Y232 VanDerWaalsContact CG1-CE2 3.41Å; V150-V242 HydrophobicContact CB-CG1 3.99Å; V150-V242 HydrophobicContact CG1-CG1 4.27Å; V150-V242 HydrophobicContact CG2-CG1 4.11Å; V150-M243 CarbonylContact C-O 3.57Å; V150-M243 VanDerWaalsContact CA-O 3.26Å; V150-M243 WeakPolarHBondContact CA-O 3.49Å; V150-M243 WeakPolarHBondContact CB-O 3.35Å
151V97.8Very high93.9Very high14 Ų1446.4 Ų46.49%0.08525%0.25CC..EExtended strand (participates in β ladder)trans-114.4139.2165.1-64.40000109.8L130 V138 H139 T140 V242 M243 R245L130-V151 HydrophobicContact CD2-CG1 3.97Å; V138-V151 HydrophobicContact CG1-CB 3.67Å; V138-V151 HydrophobicContact CG1-CG1 4.13Å; V138-V151 HydrophobicContact CG1-CG2 4.32Å; H139-V151 CarbonylContact O-C 3.56Å; H139-V151 VanDerWaalsContact O-CA 3.24Å; H139-V151 WeakPolarHBondContact O-CA 3.47Å; T140-V151 HydrophobicContact CG2-CG1 4.26Å; V151-V242 WeakPolarHBondContact O-CA 3.11Å; V151-M243 HydrophobicContact CG2-CE 4.22Å; V151-M243 HydrophobicContact CG2-CG 3.4Å; V151-M243 HydrophobicContact CG2-SD 4.28Å; V151-M243 PolarHBondContact N-O 3.06Å; V151-M243 PolarHBondContact O-N 3.24Å; V151-R245 HydrophobicContact CG1-CB 4.02Å; V151-R245 HydrophobicContact CG1-CG 3.92Å
152I97.6Very high93.2Very high0 Ų048.7 Ų48.70%026%0.263CS..EExtended strand (participates in β ladder)trans-112.3106.9-179.9-51.3175.1000107.3I109 F122 F125 V138 H139 A141 M240 V242I109-I152 HydrophobicContact CD1-CB 4.48Å; I109-I152 HydrophobicContact CD1-CG2 3.79Å; I109-I152 HydrophobicContact CG1-CG2 3.99Å; F122-I152 HydrophobicContact CD1-CD1 4.32Å; F122-I152 HydrophobicContact CD2-CD1 3.95Å; F122-I152 HydrophobicContact CE1-CD1 4.13Å; F122-I152 HydrophobicContact CE2-CD1 3.69Å; F122-I152 HydrophobicContact CG-CD1 4.24Å; F122-I152 HydrophobicContact CZ-CD1 3.82Å; F122-I152 HydrophobicContact CZ-CG1 4.41Å; F125-I152 HydrophobicContact CD2-CD1 4.06Å; F125-I152 HydrophobicContact CE2-CD1 4.14Å; V138-I152 WeakPolarHBondContact CA-O 3.32Å; H139-I152 PolarHBondContact N-O 3.36Å; H139-I152 PolarHBondContact O-N 3.48Å; A141-I152 HydrophobicContact CB-CD1 3.88Å; A141-I152 HydrophobicContact CB-CG1 4.48Å; I152-M240 HydrophobicContact CG2-CG 3.77Å; I152-M240 HydrophobicContact CG2-SD 3.96Å; I152-V242 HydrophobicContact CG1-CG2 4.21Å; I152-V242 HydrophobicContact CG2-CG2 4.21Å
153K96.3Very high92.8Very high15 Ų1544.4 Ų44.47%0.06525%0.246CC..EExtended strand (participates in β ladder)trans-88.3120.3173.8-170.7178.5-167.4-177.10108.1A136 Q137 V138 L206 E209 M240 M241 M243 D310A136-K153 HydrophobicContact CB-CD 4.37Å; A136-K153 HydrophobicContact CB-CG 3.76Å; Q137-K153 CarbonylContact O-C 3.23Å; Q137-K153 WeakPolarHBondContact O-CA 3.38Å; V138-K153 HydrophobicContact CG2-CB 4.4Å; V138-K153 HydrophobicContact CG2-CG 4.25Å; K153-L206 HydrophobicContact CB-CD1 4.47Å; K153-L206 HydrophobicContact CD-CD2 4.21Å; K153-L206 HydrophobicContact CG-CD1 4.22Å; K153-L206 WeakPolarHBondContact O-CD1 3.38Å; K153-E209 IonicContact NZ-OE1 4Å; K153-E209 PolarHBondContact NZ-OE1 3.29Å; K153-E209 IonicContact NZ-OE2 3.15Å; K153-E209 PolarHBondContact NZ-OE2 3.11Å; K153-M240 CarbonylContact O-C 3.02Å; K153-M240 WeakPolarHBondContact O-CA 3.35Å; K153-M241 HydrophobicContact CB-CB 4.35Å; K153-M241 PolarHBondContact N-O 2.92Å; K153-M241 PolarHBondContact O-N 3.3Å; K153-M243 HydrophobicContact CB-CE 4.38Å; K153-M243 HydrophobicContact CD-CE 4.37Å; K153-D310 IonicContact NZ-OD1 2.6Å; K153-D310 PolarHBondContact NZ-OD1 3.07Å; K153-D310 VanDerWaalsContact NZ-OD1 3.13Å
154V95.9Very high92.4Very high3 Ų349.8 Ų49.82%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-125.8136.3-177.754.60000110.9F100 A105 Q108 I109 A136 Q137F100-V154 HydrophobicContact CZ-CG1 4.12Å; A105-V154 HydrophobicContact CB-CG1 4.09Å; Q108-V154 HydrophobicContact CB-CG2 3.98Å; I109-V154 HydrophobicContact CG1-CB 4.48Å; A136-V154 CarbonylContact C-O 3.56Å; A136-V154 WeakPolarHBondContact CA-O 3.43Å; A136-V154 WeakPolarHBondContact CB-O 3.19Å; Q137-V154 PolarHBondContact N-O 3.41Å; Q137-V154 WeakPolarHBondContact O-CG1 3.36Å; Q137-V154 PolarHBondContact O-N 3.1Å
155I94.5Very high92Very high16 Ų1645 Ų458%0.08225%0.251CS..EExtended strand (participates in β ladder)trans-69.1136.7178.7-63.6-63.8000110.9Q108 I135 A136 I159 L204 L206 G239Q108-I155 PolarHBondContact NE2-O 2.95Å; Q108-I155 PolarHBondContact OE1-O 2.84Å; I135-I155 HydrophobicContact CD1-CD1 4.11Å; I135-I155 HydrophobicContact CG1-CD1 4.33Å; I135-I155 WeakPolarHBondContact O-CA 3.39Å; A136-I155 HydrophobicContact CB-CD1 4.28Å; I155-I159 HydrophobicContact CG2-CG2 3.7Å; I155-L204 HydrophobicContact CG2-CD2 4.08Å; I155-L206 HydrophobicContact CD1-CD1 4Å; I155-L206 HydrophobicContact CD1-CD2 3.83Å; I155-L206 HydrophobicContact CD1-CG 3.77Å; I155-L206 HydrophobicContact CG1-CD1 3.91Å; I155-L206 HydrophobicContact CG1-CG 3.94Å; I155-G239 PolarHBondContact N-O 3.32Å
156R91.9Very high91.8Very high26 Ų2641 Ų4110%0.09822%0.224CC..PPolyproline II helixtrans-54.8134.1177.5-72-179.4-177.4-85.9-3111.3A98 F100 S132 A133 S134 I135 I159A98-R156 PolarHBondContact O-NH1 3.39Å; A98-R156 PolarHBondContact O-NH2 3.28Å; F100-R156 HydrophobicContact CD1-CB 4.38Å; F100-R156 HydrophobicContact CD1-CG 3.72Å; F100-R156 HydrophobicContact CE1-CB 4.34Å; F100-R156 HydrophobicContact CE1-CG 3.8Å; S132-R156 PolarHBondContact OG-NH2 2.94Å; A133-R156 PolarHBondContact O-NE 3.16Å; A133-R156 PolarHBondContact O-NH2 3.02Å; S134-R156 WeakPolarHBondContact O-CD 3.48Å; S134-R156 PolarHBondContact O-NE 3.46Å; I135-R156 WeakPolarHBondContact O-CG 3.3Å; I135-R156 PolarHBondContact O-N 2.91Å; R156-I159 HydrophobicContact CB-CB 4.08Å; R156-I159 HydrophobicContact CB-CG1 4.49Å; R156-I159 WeakPolarHBondContact O-CB 3.41Å; R156-I159 VanDerWaalsContact O-CG2 3.27Å; R156-I159 WeakPolarHBondContact O-CG2 3.33Å; R156-I159 PolarHBondContact O-N 3.34Å
157P88.6Confident91.7Very high36 Ų3637.3 Ų37.323%0.23420%0.203CC..THydrogen-bonded Turntrans-61.9145.1176.826.1-33.8000110.8F100 L104 I159F100-P157 HydrophobicContact CD2-CG 3.89Å; F100-P157 VanDerWaalsContact CE2-CD 3.41Å; F100-P157 HydrophobicContact CE2-CG 4.06Å; F100-P157 HydrophobicContact CG-CG 4.45Å; L104-P157 HydrophobicContact CB-CG 4.42Å; L104-P157 HydrophobicContact CD1-CG 4.24Å; P157-I159 PolarHBondContact O-N 3.3Å
158D83.3Confident91.4Very high134 Ų13440.2 Ų40.272%0.71721%0.206SC*.THydrogen-bonded Turntrans54.121.1177-57.7-47.5000115.6L160 P161D158-L160 VanDerWaalsContact C-N 3.33Å; D158-L160 PolarHBondContact O-N 3.46Å; D158-P161 WeakPolarHBondContact O-CD 3.32Å
159I85.3Confident90.8Very high17 Ų1736.8 Ų36.89%0.08719%0.191CC..Hα-helixtrans-68.3-32.9-179.7-166.260.9000112.2I155 R156 P157 V162 I163 L204I155-I159 HydrophobicContact CG2-CG2 3.7Å; R156-I159 HydrophobicContact CB-CB 4.08Å; R156-I159 HydrophobicContact CB-CG1 4.49Å; R156-I159 WeakPolarHBondContact O-CB 3.41Å; R156-I159 VanDerWaalsContact O-CG2 3.27Å; R156-I159 WeakPolarHBondContact O-CG2 3.33Å; R156-I159 PolarHBondContact O-N 3.34Å; P157-I159 PolarHBondContact O-N 3.3Å; I159-V162 HydrophobicContact CD1-CB 4.48Å; I159-V162 WeakPolarHBondContact O-CB 3.47Å; I159-V162 PolarHBondContact O-N 3.1Å; I159-V162 VanDerWaalsContact O-N 3.11Å; I159-I163 HydrophobicContact CG1-CD1 3.81Å; I159-I163 HydrophobicContact CG1-CG1 4.14Å; I159-I163 HydrophobicContact CG2-CD1 4.4Å; I159-I163 WeakPolarHBondContact O-CG1 3.44Å; I159-I163 PolarHBondContact O-N 3.02Å; I159-L204 HydrophobicContact CG2-CD2 3.67Å
160L88Confident90.5Very high69 Ų6933.8 Ų33.836%0.36118%0.177SC..Hα-helixtrans-62.8-47-177.517866.8000112.8D158 V162 I163 K164 I201 L204D158-L160 VanDerWaalsContact C-N 3.33Å; D158-L160 PolarHBondContact O-N 3.46Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 PolarHBondContact O-N 3Å; L160-I163 PolarHBondContact O-N 2.8Å; L160-K164 HydrophobicContact CD1-CG 4.45Å; L160-K164 HydrophobicContact CG-CD 4.4Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.79Å; L160-I201 HydrophobicContact CD1-CD1 3.81Å; L160-L204 HydrophobicContact CB-CD1 4.41Å; L160-L204 HydrophobicContact CD1-CD1 3.77Å
161P86Confident90.2Very high78 Ų7836.2 Ų36.251%0.50619%0.187SC..Hα-helixtrans-54.5-40.5169.1-28.632.9000114.2D158 K164 A165D158-P161 WeakPolarHBondContact O-CD 3.32Å; P161-K164 PolarHBondContact O-N 3.39Å; P161-A165 WeakPolarHBondContact O-CB 3.11Å; P161-A165 PolarHBondContact O-N 2.96Å
162V84.6Confident89.7Confident53 Ų5338.9 Ų38.932%0.32120%0.195SC..Hα-helixtrans-65.6-47.1178.1178.20000110.6I159 L160 K164 A165 D166I159-V162 HydrophobicContact CD1-CB 4.48Å; I159-V162 WeakPolarHBondContact O-CB 3.47Å; I159-V162 PolarHBondContact O-N 3.1Å; I159-V162 VanDerWaalsContact O-N 3.11Å; L160-V162 VanDerWaalsContact C-N 3.29Å; L160-V162 PolarHBondContact O-N 3Å; V162-K164 VanDerWaalsContact C-N 3.35Å; V162-K164 PolarHBondContact O-N 3.48Å; V162-A165 PolarHBondContact O-N 3.14Å; V162-D166 WeakPolarHBondContact O-CB 3.12Å; V162-D166 PolarHBondContact O-N 3.34Å
163I88.9Confident89.2Confident0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-54.9-50.1174.5-72.6167.8000110.5V67 I159 L160 A165 D166 L167 L200 I201 L204V67-I163 HydrophobicContact CG2-CB 4.48Å; V67-I163 HydrophobicContact CG2-CG1 3.65Å; I159-I163 HydrophobicContact CG1-CD1 3.81Å; I159-I163 HydrophobicContact CG1-CG1 4.14Å; I159-I163 HydrophobicContact CG2-CD1 4.4Å; I159-I163 WeakPolarHBondContact O-CG1 3.44Å; I159-I163 PolarHBondContact O-N 3.02Å; L160-I163 PolarHBondContact O-N 2.8Å; I163-A165 VanDerWaalsContact C-N 3.34Å; I163-A165 PolarHBondContact O-N 3.2Å; I163-D166 PolarHBondContact O-N 2.85Å; I163-L167 HydrophobicContact CG2-CD1 3.59Å; I163-L167 HydrophobicContact CG2-CG 4.2Å; I163-L167 VanDerWaalsContact O-CB 3.29Å; I163-L167 WeakPolarHBondContact O-CB 2.88Å; I163-L167 VanDerWaalsContact O-CG 3.28Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.16Å; I163-L200 HydrophobicContact CB-CD2 4.34Å; I163-L200 HydrophobicContact CD1-CD1 4.42Å; I163-L200 HydrophobicContact CD1-CD2 4.35Å; I163-L200 HydrophobicContact CD1-CG 4.07Å; I163-L200 HydrophobicContact CG1-CD2 3.97Å; I163-L200 HydrophobicContact CG1-CG 4.25Å; I163-L200 HydrophobicContact CG2-CD2 3.59Å; I163-L200 HydrophobicContact CG2-CG 4.12Å; I163-I201 HydrophobicContact CG2-CD1 4.19Å; I163-L204 HydrophobicContact CD1-CD1 3.85Å; I163-L204 HydrophobicContact CD1-CD2 3.84Å; I163-L204 HydrophobicContact CD1-CG 4.18Å
164K88.9Confident88.7Confident114 Ų11442.1 Ų42.150%0.49621%0.214SC..Hα-helixtrans-60.7-41.2178.8-73.9177.4177.9177.40112.3L160 P161 V162 K168L160-K164 HydrophobicContact CD1-CG 4.45Å; L160-K164 HydrophobicContact CG-CD 4.4Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 2.79Å; P161-K164 PolarHBondContact O-N 3.39Å; V162-K164 VanDerWaalsContact C-N 3.35Å; V162-K164 PolarHBondContact O-N 3.48Å; K164-K168 WeakPolarHBondContact O-CB 3.36Å; K164-K168 VanDerWaalsContact O-CG 3.27Å; K164-K168 WeakPolarHBondContact O-CG 3.38Å; K164-K168 PolarHBondContact O-N 3.14Å; K164-K168 VanDerWaalsContact O-N 3.11Å
165A86.9Confident88.4Confident12 Ų1248.9 Ų48.910%0.09924%0.239CC..Hα-helixtrans-66.4-44.6178.700000112E5 R8 P161 V162 I163 K168 L169E5-A165 HydrophobicContact CG-CB 4Å; R8-A165 HydrophobicContact CB-CB 4.46Å; R8-A165 HydrophobicContact CG-CB 4.19Å; P161-A165 WeakPolarHBondContact O-CB 3.11Å; P161-A165 PolarHBondContact O-N 2.96Å; V162-A165 PolarHBondContact O-N 3.14Å; I163-A165 VanDerWaalsContact C-N 3.34Å; I163-A165 PolarHBondContact O-N 3.2Å; A165-K168 PolarHBondContact O-N 3.41Å; A165-L169 PolarHBondContact O-N 2.86Å
166D90Very high88Confident0 Ų054.5 Ų54.50%026%0.259CS..Hα-helixtrans-67.4-47.1179.6-73.4-6.8000110.8R8 I12 V67 W68 V162 I163 K168 L169 I170R8-D166 WeakPolarHBondContact CG-OD1 3.3Å; R8-D166 IonicContact CZ-OD1 3.13Å; R8-D166 IonicContact CZ-OD2 2.67Å; R8-D166 IonicContact NE-OD1 3.78Å; R8-D166 PolarHBondContact NE-OD1 3.07Å; R8-D166 IonicContact NE-OD2 2.71Å; R8-D166 IonicContact NH2-OD1 3.19Å; R8-D166 PolarHBondContact NH2-OD1 2.87Å; R8-D166 IonicContact NH2-OD2 2.73Å; R8-D166 PolarHBondContact NH2-OD2 2.87Å; I12-D166 WeakPolarHBondContact CD1-OD1 3.42Å; V67-D166 HydrophobicContact CB-CB 4.18Å; V67-D166 HydrophobicContact CG1-CB 3.72Å; W68-D166 PolarHBondContact NE1-OD2 2.93Å; V162-D166 WeakPolarHBondContact O-CB 3.12Å; V162-D166 PolarHBondContact O-N 3.34Å; I163-D166 PolarHBondContact O-N 2.85Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.11Å; D166-L169 WeakPolarHBondContact O-CA 3.49Å; D166-L169 WeakPolarHBondContact O-CB 3.16Å; D166-L169 PolarHBondContact O-N 3.07Å; D166-I170 WeakPolarHBondContact O-CG1 3.39Å; D166-I170 PolarHBondContact O-N 3.23Å
167L91.2Very high87.5Confident3 Ų355.2 Ų55.22%0.01627%0.266CS..Hα-helixtrans-57.9-40.9175.9-75.7174000112.2I163 L169 I170 Y171 Y196 E197I163-L167 HydrophobicContact CG2-CD1 3.59Å; I163-L167 HydrophobicContact CG2-CG 4.2Å; I163-L167 VanDerWaalsContact O-CB 3.29Å; I163-L167 WeakPolarHBondContact O-CB 2.88Å; I163-L167 VanDerWaalsContact O-CG 3.28Å; I163-L167 WeakPolarHBondContact O-CG 3.47Å; I163-L167 PolarHBondContact O-N 3.16Å; L167-L169 PolarHBondContact O-N 3.42Å; L167-I170 PolarHBondContact O-N 2.96Å; L167-Y171 HydrophobicContact CB-CD2 4.5Å; L167-Y171 WeakPolarHBondContact O-CB 3.43Å; L167-Y171 VanDerWaalsContact O-CD2 3.29Å; L167-Y171 WeakPolarHBondContact O-CD2 3.46Å; L167-Y171 PolarHBondContact O-N 2.99Å; L167-Y196 HydrophobicContact CD2-CD1 4.01Å; L167-Y196 HydrophobicContact CD2-CE1 4.3Å; L167-E197 HydrophobicContact CD1-CB 3.9Å; L167-E197 HydrophobicContact CD1-CG 3.67Å; L167-E197 HydrophobicContact CD2-CB 4Å
168K89.2Confident87.1Confident100 Ų10055.4 Ų55.444%0.43527%0.267SS..Hα-helixtrans-57.8-33.7174.5-81.1173.9-177.8178.10112.8E5 K164 A165 D166 R172E5-K168 IonicContact OE1-NZ 3.85Å; E5-K168 PolarHBondContact OE1-NZ 2.77Å; E5-K168 IonicContact OE2-NZ 3.95Å; K164-K168 WeakPolarHBondContact O-CB 3.36Å; K164-K168 VanDerWaalsContact O-CG 3.27Å; K164-K168 WeakPolarHBondContact O-CG 3.38Å; K164-K168 PolarHBondContact O-N 3.14Å; K164-K168 VanDerWaalsContact O-N 3.11Å; A165-K168 PolarHBondContact O-N 3.41Å; D166-K168 VanDerWaalsContact C-N 3.31Å; D166-K168 PolarHBondContact O-N 3.11Å; K168-R172 WeakPolarHBondContact O-CG 3.25Å; K168-R172 PolarHBondContact O-N 3.49Å; K168-R172 PolarHBondContact O-NE 2.96Å
169L86.1Confident87.1Confident16 Ų1656.4 Ų56.48%0.08426%0.261CS..Hα-helixtrans-77.5-44.7174.3-178.159.9000111.5L9 I12 W68 A165 D166 L167 Y171 R172 L173L9-L169 HydrophobicContact CD1-CB 4.47Å; L9-L169 HydrophobicContact CD1-CD1 3.7Å; L9-L169 HydrophobicContact CD1-CD2 3.86Å; L9-L169 HydrophobicContact CD1-CG 4.23Å; I12-L169 HydrophobicContact CB-CD2 3.66Å; I12-L169 HydrophobicContact CD1-CB 4.43Å; I12-L169 HydrophobicContact CD1-CD2 3.56Å; I12-L169 HydrophobicContact CG1-CD2 4.19Å; I12-L169 HydrophobicContact CG2-CD2 3.27Å; W68-L169 HydrophobicContact CH2-CD2 4.3Å; W68-L169 HydrophobicContact CZ2-CD2 4.08Å; A165-L169 PolarHBondContact O-N 2.86Å; D166-L169 WeakPolarHBondContact O-CA 3.49Å; D166-L169 WeakPolarHBondContact O-CB 3.16Å; D166-L169 PolarHBondContact O-N 3.07Å; L167-L169 PolarHBondContact O-N 3.42Å; L169-Y171 VanDerWaalsContact C-N 3.31Å; L169-Y171 PolarHBondContact O-N 3.36Å; L169-R172 WeakPolarHBondContact O-CA 2.92Å; L169-R172 WeakPolarHBondContact O-CB 3.27Å; L169-R172 PolarHBondContact O-N 3.3Å; L169-L173 HydrophobicContact CD1-CG 4.44Å; L169-L173 HydrophobicContact CG-CD1 4.38Å; L169-L173 HydrophobicContact CG-CG 4.49Å; L169-L173 PolarHBondContact O-N 3.04Å
170I90.9Very high86.8Confident4 Ų457.1 Ų57.12%0.02127%0.265CS..Hα-helixtrans-57.2-45.1178.1-63.8168.5000110.3V67 W68 F71 D166 L167 R172 L173 A174 V193 Y196V67-I170 HydrophobicContact CG1-CD1 4.42Å; W68-I170 HydrophobicContact CH2-CD1 4.41Å; W68-I170 HydrophobicContact CH2-CG1 3.63Å; W68-I170 HydrophobicContact CZ2-CD1 4.36Å; W68-I170 HydrophobicContact CZ2-CG1 3.86Å; W68-I170 HydrophobicContact CZ3-CG1 4.01Å; F71-I170 HydrophobicContact CD1-CD1 4.43Å; F71-I170 HydrophobicContact CE1-CG2 4.13Å; F71-I170 HydrophobicContact CE2-CG2 3.97Å; F71-I170 HydrophobicContact CG-CD1 4.35Å; F71-I170 HydrophobicContact CZ-CG2 3.72Å; D166-I170 WeakPolarHBondContact O-CG1 3.39Å; D166-I170 PolarHBondContact O-N 3.23Å; L167-I170 PolarHBondContact O-N 2.96Å; I170-R172 VanDerWaalsContact C-N 3.32Å; I170-R172 PolarHBondContact O-N 3.1Å; I170-L173 PolarHBondContact O-N 3.28Å; I170-A174 WeakPolarHBondContact O-CB 3.23Å; I170-A174 PolarHBondContact O-N 3.45Å; I170-V193 HydrophobicContact CB-CG1 4.38Å; I170-V193 HydrophobicContact CG2-CB 4.26Å; I170-V193 HydrophobicContact CG2-CG1 3.67Å; I170-V193 HydrophobicContact CG2-CG2 3.49Å; I170-V193 VanDerWaalsContact CG2-CG2 3.49Å; I170-Y196 HydrophobicContact CD1-CE1 4.3Å
171Y92.1Very high86.1Confident51 Ų5157.2 Ų57.220%0.227%0.265CS..Hα-helixtrans-61.2-35.4173.2-88.7-65.7000113.8L167 L169 R175 V193 R194 E197L167-Y171 HydrophobicContact CB-CD2 4.5Å; L167-Y171 WeakPolarHBondContact O-CB 3.43Å; L167-Y171 VanDerWaalsContact O-CD2 3.29Å; L167-Y171 WeakPolarHBondContact O-CD2 3.46Å; L167-Y171 PolarHBondContact O-N 2.99Å; L169-Y171 VanDerWaalsContact C-N 3.31Å; L169-Y171 PolarHBondContact O-N 3.36Å; Y171-R175 WeakPolarHBondContact O-CG 3.25Å; Y171-R175 PolarHBondContact O-N 3.31Å; Y171-R175 VanDerWaalsContact O-N 3.15Å; Y171-V193 HydrophobicContact CD1-CB 4.25Å; Y171-V193 HydrophobicContact CD1-CG1 3.73Å; Y171-V193 HydrophobicContact CD2-CG1 3.83Å; Y171-V193 HydrophobicContact CE1-CB 4.1Å; Y171-V193 HydrophobicContact CE1-CG1 3.71Å; Y171-V193 HydrophobicContact CE2-CG1 3.82Å; Y171-V193 HydrophobicContact CG-CG1 3.8Å; Y171-R194 VanDerWaalsContact OH-CA 3.31Å; Y171-R194 WeakPolarHBondContact OH-CA 3.13Å; Y171-E197 WeakPolarHBondContact CE2-OE2 3.5Å; Y171-E197 VanDerWaalsContact CZ-OE2 3.26Å; Y171-E197 PolarHBondContact OH-OE2 3.4Å
172R88.5Confident85.3Confident69 Ų6959.9 Ų59.926%0.2628%0.283SS..Hα-helixtrans-64.9-47.8174.1-81.6-179.7-75.5161.6-2.3110.2M1 K168 L169 I170 R175 W176M1-R172 VanDerWaalsContact CE-NH2 3.26Å; K168-R172 WeakPolarHBondContact O-CG 3.25Å; K168-R172 PolarHBondContact O-N 3.49Å; K168-R172 PolarHBondContact O-NE 2.96Å; L169-R172 WeakPolarHBondContact O-CA 2.92Å; L169-R172 WeakPolarHBondContact O-CB 3.27Å; L169-R172 PolarHBondContact O-N 3.3Å; I170-R172 VanDerWaalsContact C-N 3.32Å; I170-R172 PolarHBondContact O-N 3.1Å; R172-R175 PolarHBondContact O-N 3.41Å; R172-W176 PolarHBondContact O-N 3.48Å
173L85.7Confident84.6Confident77 Ų7761.9 Ų61.940%0.40329%0.292SS..Hα-helixtrans-61-47177.4-64.6175.9000111.5W68 L169 I170 R175 W176 V177W68-L173 HydrophobicContact CH2-CD1 4.21Å; L169-L173 HydrophobicContact CD1-CG 4.44Å; L169-L173 HydrophobicContact CG-CD1 4.38Å; L169-L173 HydrophobicContact CG-CG 4.49Å; L169-L173 PolarHBondContact O-N 3.04Å; I170-L173 PolarHBondContact O-N 3.28Å; L173-R175 VanDerWaalsContact C-N 3.26Å; L173-R175 PolarHBondContact O-N 3.08Å; L173-W176 WeakPolarHBondContact O-CB 3.22Å; L173-W176 PolarHBondContact O-N 2.88Å; L173-V177 PolarHBondContact O-N 3.39Å
174A87.2Confident83.5Confident6 Ų661.9 Ų61.95%0.0529%0.292CS..Hα-helixtrans-59.8-33.1179.100000113.4I170 W176 V177 P178 P189 T190 V193I170-A174 WeakPolarHBondContact O-CB 3.23Å; I170-A174 PolarHBondContact O-N 3.45Å; A174-W176 VanDerWaalsContact C-N 3.28Å; A174-W176 PolarHBondContact O-N 3.23Å; A174-V177 PolarHBondContact O-N 3.29Å; A174-P178 WeakPolarHBondContact O-CD 3.48Å; A174-P189 HydrophobicContact CB-CB 4.19Å; A174-P189 WeakPolarHBondContact O-CG 3.41Å; A174-T190 HydrophobicContact CB-CG2 4.24Å; A174-V193 HydrophobicContact CB-CG2 3.69Å
175R89.8Confident82.5Confident146 Ų14666.6 Ų66.655%0.55131%0.307SS*.Hα-helixtrans-68.7-23.9173.7-76.8-173.8-68165.8-4.7113.5Y171 R172 L173 R179 T190Y171-R175 WeakPolarHBondContact O-CG 3.25Å; Y171-R175 PolarHBondContact O-N 3.31Å; Y171-R175 VanDerWaalsContact O-N 3.15Å; R172-R175 PolarHBondContact O-N 3.41Å; L173-R175 VanDerWaalsContact C-N 3.26Å; L173-R175 PolarHBondContact O-N 3.08Å; R175-R179 PolarHBondContact O-NH1 3.11Å; R175-T190 HydrophobicContact CG-CG2 4.06Å
176W85Confident81.6Confident134 Ų13476.1 Ų76.151%0.50834%0.34SS..Hα-helixtrans-83.3-30.6176.7-75.5103.4000112.7I30 R172 L173 A174 R179 L180I30-W176 HydrophobicContact CG2-CZ3 4.34Å; R172-W176 PolarHBondContact O-N 3.48Å; L173-W176 WeakPolarHBondContact O-CB 3.22Å; L173-W176 PolarHBondContact O-N 2.88Å; A174-W176 VanDerWaalsContact C-N 3.28Å; A174-W176 PolarHBondContact O-N 3.23Å; W176-R179 WeakPolarHBondContact O-CA 3.38Å; W176-R179 WeakPolarHBondContact O-CB 3.26Å; W176-R179 PolarHBondContact O-N 3.15Å; W176-L180 HydrophobicContact CB-CD1 3.98Å; W176-L180 HydrophobicContact CB-CG 4.46Å; W176-L180 WeakPolarHBondContact O-CG 3.44Å; W176-L180 PolarHBondContact O-N 3.24Å; W176-L180 VanDerWaalsContact O-N 3.16Å
177V81.9Confident80.7Confident40 Ų4077.5 Ų77.524%0.24235%0.347CS..Hα-helixtrans-49.2-47.3-177.4171.90000113.6L173 A174 R179 L180 L181 P189L173-V177 PolarHBondContact O-N 3.39Å; A174-V177 PolarHBondContact O-N 3.29Å; V177-R179 PolarHBondContact O-N 3.11Å; V177-R179 VanDerWaalsContact O-N 3.11Å; V177-L180 PolarHBondContact O-N 3.07Å; V177-L180 VanDerWaalsContact O-N 3.07Å; V177-L181 HydrophobicContact CG1-CD1 3.92Å; V177-L181 HydrophobicContact CG1-CG 4.42Å; V177-L181 PolarHBondContact O-N 3.46Å; V177-P189 HydrophobicContact CB-CB 4.11Å; V177-P189 HydrophobicContact CB-CG 3.86Å; V177-P189 HydrophobicContact CG1-CB 4.11Å; V177-P189 HydrophobicContact CG1-CG 3.9Å
178P80.4Confident80Confident40 Ų4084.4 Ų84.426%0.2637%0.373SS..Hα-helixtrans-64.7-16.6178.7-22.534.3000115.4A174 R185 P189A174-P178 WeakPolarHBondContact O-CD 3.48Å; P178-R185 HydrophobicContact CB-CG 4Å; P178-P189 HydrophobicContact CG-CG 3.77Å
179R83Confident79.6Confident155 Ų15580.5 Ų80.559%0.58536%0.358SS*.Hα-helixtrans-95.9-18.7177.3-61.4-179.7175.784.1-0.9112.3R175 W176 V177R175-R179 PolarHBondContact O-NH1 3.11Å; W176-R179 WeakPolarHBondContact O-CA 3.38Å; W176-R179 WeakPolarHBondContact O-CB 3.26Å; W176-R179 PolarHBondContact O-N 3.15Å; V177-R179 PolarHBondContact O-N 3.11Å; V177-R179 VanDerWaalsContact O-N 3.11Å
180L79.4Confident79.6Confident32 Ų3281.8 Ų81.817%0.16837%0.366CS..Hα-helixtrans-101.2-34.6-174.1-65.2178.6000112.5M28 T31 W176 V177M28-L180 HydrophobicContact CE-CD2 4.23Å; M28-L180 VanDerWaalsContact CE-O 3.22Å; M28-L180 WeakPolarHBondContact CE-O 3.09Å; T31-L180 HydrophobicContact CG2-CD2 3.5Å; T31-L180 VanDerWaalsContact CG2-CD2 3.5Å; W176-L180 HydrophobicContact CB-CD1 3.98Å; W176-L180 HydrophobicContact CB-CG 4.46Å; W176-L180 WeakPolarHBondContact O-CG 3.44Å; W176-L180 PolarHBondContact O-N 3.24Å; W176-L180 VanDerWaalsContact O-N 3.16Å; V177-L180 PolarHBondContact O-N 3.07Å; V177-L180 VanDerWaalsContact O-N 3.07Å
181L73.2Confident79.3Confident71 Ų7184.6 Ų84.637%0.37238%0.38SS..SBendtrans-104.9137.6-177.5-61.7-177.4000111.4P26 V177 D183 G184 L187P26-L181 HydrophobicContact CG-CD2 4.19Å; V177-L181 HydrophobicContact CG1-CD1 3.92Å; V177-L181 HydrophobicContact CG1-CG 4.42Å; V177-L181 PolarHBondContact O-N 3.46Å; L181-D183 VanDerWaalsContact C-N 3.29Å; L181-D183 PolarHBondContact O-N 3.25Å; L181-G184 PolarHBondContact O-N 3.27Å; L181-L187 HydrophobicContact CD1-CD1 4.29Å
182P69Low78.7Confident134 Ų13482.7 Ų82.787%0.8737%0.373SS*.THydrogen-bonded Turntrans-53.5-43176.5-25.733.7000113.2
183D68.8Low78.7Confident96 Ų9679.5 Ų79.551%0.51336%0.361SS..THydrogen-bonded Turntrans-916.3177.4-70.3-47.7000113.8L181 R185 R186 L187L181-D183 VanDerWaalsContact C-N 3.29Å; L181-D183 PolarHBondContact O-N 3.25Å; D183-R185 PolarHBondContact O-N 2.93Å; D183-R186 WeakPolarHBondContact O-CB 3.34Å; D183-R186 PolarHBondContact O-N 2.94Å; D183-L187 PolarHBondContact O-N 3.26Å
184G66Low78.9Confident0 Ų082.6 Ų82.60%037%0.368CS..THydrogen-bonded Turntrans-62.5-22.6-16600000115.6L181 P189L181-G184 PolarHBondContact O-N 3.27Å; G184-P189 WeakPolarHBondContact O-CD 3.27Å
185R68.7Low78.6Confident213 Ų21387.8 Ų87.880%0.80439%0.391SS*.THydrogen-bonded Turntrans-73.2-39.2173.2-71.6-174.3-176.1-177.21.8112.5P178 D183 L187 R188P178-R185 HydrophobicContact CB-CG 4Å; D183-R185 PolarHBondContact O-N 2.93Å; R185-L187 PolarHBondContact O-N 2.9Å; R185-R188 PolarHBondContact O-N 2.73Å
186R68.3Low78.4Confident211 Ų21181.2 Ų81.280%0.79637%0.366SS*.THydrogen-bonded Turntrans-66.2-31.9-179.6-70.2178.9167.3-177.3-6.8111.5D183 R188D183-R186 WeakPolarHBondContact O-CB 3.34Å; D183-R186 PolarHBondContact O-N 2.94Å; R186-R188 PolarHBondContact O-N 3.26Å
187L69.5Low78.7Confident29 Ų2978 Ų7815%0.15236%0.357CS..THydrogen-bonded Turntrans-68.2-15.4179.9-58.6-179.4000114.1L81 L181 D183 R185 P189L81-L187 HydrophobicContact CD2-CB 3.73Å; L81-L187 HydrophobicContact CD2-CD1 3.65Å; L81-L187 HydrophobicContact CD2-CD2 3.59Å; L81-L187 HydrophobicContact CD2-CG 3.8Å; L181-L187 HydrophobicContact CD1-CD1 4.29Å; D183-L187 PolarHBondContact O-N 3.26Å; R185-L187 PolarHBondContact O-N 2.9Å; L187-P189 VanDerWaalsContact C-N 3.34Å
188R76.5Confident79Confident149 Ų14982.7 Ų82.756%0.56237%0.374SS*.  trans44.751.3-179.1-71.6167.5155.2-132.99.5113.1R185 R186 T190 E191 V192R185-R188 PolarHBondContact O-N 2.73Å; R186-R188 PolarHBondContact O-N 3.26Å; R188-T190 VanDerWaalsContact C-N 3.25Å; R188-T190 PolarHBondContact O-N 3.21Å; R188-T190 VanDerWaalsContact O-N 3.11Å; R188-E191 HydrophobicContact CB-CB 4.19Å; R188-E191 HydrophobicContact CB-CG 4.22Å; R188-E191 VanDerWaalsContact CD-OE2 3.23Å; R188-E191 WeakPolarHBondContact CD-OE2 3.43Å; R188-E191 IonicContact CZ-OE1 3.73Å; R188-E191 IonicContact CZ-OE2 2.82Å; R188-E191 IonicContact NE-OE1 2.88Å; R188-E191 IonicContact NE-OE2 3.62Å; R188-E191 IonicContact NH1-OE1 3.65Å; R188-E191 PolarHBondContact NH1-OE1 2.87Å; R188-E191 IonicContact NH1-OE2 3.9Å; R188-E191 PolarHBondContact NH1-OE2 3.41Å; R188-E191 WeakPolarHBondContact O-CB 3.26Å; R188-E191 PolarHBondContact O-N 3.04Å; R188-V192 PolarHBondContact O-N 3.46Å
189P80.9Confident79.1Confident17 Ų1783.8 Ų83.811%0.1138%0.38CS..Hα-helixtrans-61-31.3-168.525-35.5000113.5A174 V177 P178 G184 L187 E191 V192 V193A174-P189 HydrophobicContact CB-CB 4.19Å; A174-P189 WeakPolarHBondContact O-CG 3.41Å; V177-P189 HydrophobicContact CB-CB 4.11Å; V177-P189 HydrophobicContact CB-CG 3.86Å; V177-P189 HydrophobicContact CG1-CB 4.11Å; V177-P189 HydrophobicContact CG1-CG 3.9Å; P178-P189 HydrophobicContact CG-CG 3.77Å; G184-P189 WeakPolarHBondContact O-CD 3.27Å; L187-P189 VanDerWaalsContact C-N 3.34Å; P189-E191 VanDerWaalsContact C-N 3.32Å; P189-V192 PolarHBondContact O-N 2.9Å; P189-V193 WeakPolarHBondContact O-CG2 3.47Å; P189-V193 PolarHBondContact O-N 3.3Å; P189-V193 VanDerWaalsContact O-N 3.11Å
190T87.2Confident79.3Confident44 Ų4476.5 Ų76.527%0.2735%0.353SS..Hα-helixtrans-69.8-28.8176.248.20000113.2A174 R175 R188 R194A174-T190 HydrophobicContact CB-CG2 4.24Å; R175-T190 HydrophobicContact CG-CG2 4.06Å; R188-T190 VanDerWaalsContact C-N 3.25Å; R188-T190 PolarHBondContact O-N 3.21Å; R188-T190 VanDerWaalsContact O-N 3.11Å; T190-R194 WeakPolarHBondContact O-CB 3.22Å; T190-R194 PolarHBondContact O-N 3.19Å; T190-R194 VanDerWaalsContact O-N 3.11Å
191E83.2Confident79.8Confident63 Ų6378.1 Ų78.129%0.29436%0.361SS..Hα-helixtrans-72.7-42.7175.5-64.2172.3-160.100109.8R188 P189 V193 R194 E195R188-E191 HydrophobicContact CB-CB 4.19Å; R188-E191 HydrophobicContact CB-CG 4.22Å; R188-E191 VanDerWaalsContact CD-OE2 3.23Å; R188-E191 WeakPolarHBondContact CD-OE2 3.43Å; R188-E191 IonicContact CZ-OE1 3.73Å; R188-E191 IonicContact CZ-OE2 2.82Å; R188-E191 IonicContact NE-OE1 2.88Å; R188-E191 IonicContact NE-OE2 3.62Å; R188-E191 IonicContact NH1-OE1 3.65Å; R188-E191 PolarHBondContact NH1-OE1 2.87Å; R188-E191 IonicContact NH1-OE2 3.9Å; R188-E191 PolarHBondContact NH1-OE2 3.41Å; R188-E191 WeakPolarHBondContact O-CB 3.26Å; R188-E191 PolarHBondContact O-N 3.04Å; P189-E191 VanDerWaalsContact C-N 3.32Å; E191-V193 VanDerWaalsContact C-N 3.29Å; E191-V193 PolarHBondContact O-N 3.04Å; E191-R194 WeakPolarHBondContact O-CA 3.2Å; E191-R194 WeakPolarHBondContact O-CB 3.47Å; E191-R194 PolarHBondContact O-N 3.46Å; E191-E195 PolarHBondContact O-N 3.39Å
192V80.9Confident80.6Confident10 Ų1077 Ų776%0.06136%0.355CS..Hα-helixtrans-56-44.2173.1178.50000111.5M74 R188 P189 R194 E195 Y196M74-V192 HydrophobicContact CE-CG1 3.56Å; R188-V192 PolarHBondContact O-N 3.46Å; P189-V192 PolarHBondContact O-N 2.9Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.35Å; V192-E195 PolarHBondContact O-N 3.46Å; V192-Y196 WeakPolarHBondContact O-CB 3.48Å; V192-Y196 PolarHBondContact O-N 2.97Å
193V87.8Confident81.4Confident3 Ų372.3 Ų72.32%0.01832%0.321CS..Hα-helixtrans-68.1-33.8177.2177.60000112.2F71 I170 Y171 A174 P189 E191 Y196 E197F71-V193 HydrophobicContact CE2-CG2 4.42Å; I170-V193 HydrophobicContact CB-CG1 4.38Å; I170-V193 HydrophobicContact CG2-CB 4.26Å; I170-V193 HydrophobicContact CG2-CG1 3.67Å; I170-V193 HydrophobicContact CG2-CG2 3.49Å; I170-V193 VanDerWaalsContact CG2-CG2 3.49Å; Y171-V193 HydrophobicContact CD1-CB 4.25Å; Y171-V193 HydrophobicContact CD1-CG1 3.73Å; Y171-V193 HydrophobicContact CD2-CG1 3.83Å; Y171-V193 HydrophobicContact CE1-CB 4.1Å; Y171-V193 HydrophobicContact CE1-CG1 3.71Å; Y171-V193 HydrophobicContact CE2-CG1 3.82Å; Y171-V193 HydrophobicContact CG-CG1 3.8Å; A174-V193 HydrophobicContact CB-CG2 3.69Å; P189-V193 WeakPolarHBondContact O-CG2 3.47Å; P189-V193 PolarHBondContact O-N 3.3Å; P189-V193 VanDerWaalsContact O-N 3.11Å; E191-V193 VanDerWaalsContact C-N 3.29Å; E191-V193 PolarHBondContact O-N 3.04Å; V193-Y196 WeakPolarHBondContact O-CB 3.49Å; V193-Y196 PolarHBondContact O-N 2.91Å; V193-E197 WeakPolarHBondContact O-CB 3.45Å; V193-E197 PolarHBondContact O-N 2.8Å
194R89.5Confident82.5Confident141 Ų14169.2 Ų69.253%0.53231%0.305SS..Hα-helixtrans-67.7-42.4176.3-175-174.8-65.4125.5-3.5111.8Y171 T190 E191 V192 Y196 E197 K198Y171-R194 VanDerWaalsContact OH-CA 3.31Å; Y171-R194 WeakPolarHBondContact OH-CA 3.13Å; T190-R194 WeakPolarHBondContact O-CB 3.22Å; T190-R194 PolarHBondContact O-N 3.19Å; T190-R194 VanDerWaalsContact O-N 3.11Å; E191-R194 WeakPolarHBondContact O-CA 3.2Å; E191-R194 WeakPolarHBondContact O-CB 3.47Å; E191-R194 PolarHBondContact O-N 3.46Å; V192-R194 VanDerWaalsContact C-N 3.33Å; V192-R194 PolarHBondContact O-N 3.35Å; R194-Y196 VanDerWaalsContact C-N 3.31Å; R194-E197 PolarHBondContact O-N 2.84Å; R194-K198 PolarHBondContact O-N 3.48Å
195E81Confident83.8Confident115 Ų11571.1 Ų71.154%0.53732%0.315SS..Hα-helixtrans-63.1-41173.5-70.9174.5177.600111.2E191 V192 K198 T199E191-E195 PolarHBondContact O-N 3.39Å; V192-E195 PolarHBondContact O-N 3.46Å; E195-K198 PolarHBondContact O-N 3.06Å; E195-T199 WeakPolarHBondContact O-CB 3.37Å; E195-T199 PolarHBondContact O-N 2.96Å; E195-T199 PolarHBondContact O-OG1 3.07Å
196Y86.9Confident85.1Confident8 Ų861.1 Ų61.13%0.03128%0.277CS..Hα-helixtrans-61.9-47.9174.3-176.5-122.6000112.5V67 K70 F71 M74 L167 I170 V192 V193 R194 K198 T199 L200V67-Y196 HydrophobicContact CG1-CE1 4.28Å; V67-Y196 PolarHBondContact O-OH 3.32Å; K70-Y196 HydrophobicContact CB-CE2 4.14Å; K70-Y196 WeakPolarHBondContact CB-OH 3.3Å; F71-Y196 HydrophobicContact CB-CD1 4.41Å; F71-Y196 HydrophobicContact CB-CE1 3.73Å; F71-Y196 HydrophobicContact CB-CE2 4.36Å; F71-Y196 AromaticContact CD2-CD1 3.54Å; F71-Y196 HydrophobicContact CD2-CD1 3.54Å; F71-Y196 HydrophobicContact CD2-CD2 4.36Å; F71-Y196 AromaticContact CD2-CE1 3.75Å; F71-Y196 HydrophobicContact CD2-CE1 3.75Å; F71-Y196 AromaticContact CD2-CG 3.88Å; F71-Y196 HydrophobicContact CD2-CG 3.88Å; F71-Y196 HydrophobicContact CE2-CD1 4.24Å; F71-Y196 HydrophobicContact CG-CD1 4.34Å; F71-Y196 HydrophobicContact CG-CE1 4.1Å; F71-Y196 PolarHBondContact N-OH 3.19Å; F71-Y196 VanDerWaalsContact N-OH 3.16Å; M74-Y196 HydrophobicContact CE-CD2 4.16Å; M74-Y196 HydrophobicContact CE-CG 4.05Å; M74-Y196 VanDerWaalsContact SD-CB 3.57Å; M74-Y196 HydrophobicContact SD-CD2 3.56Å; M74-Y196 VanDerWaalsContact SD-CD2 3.56Å; M74-Y196 HydrophobicContact SD-CG 3.87Å; L167-Y196 HydrophobicContact CD2-CD1 4.01Å; L167-Y196 HydrophobicContact CD2-CE1 4.3Å; I170-Y196 HydrophobicContact CD1-CE1 4.3Å; V192-Y196 WeakPolarHBondContact O-CB 3.48Å; V192-Y196 PolarHBondContact O-N 2.97Å; V193-Y196 WeakPolarHBondContact O-CB 3.49Å; V193-Y196 PolarHBondContact O-N 2.91Å; R194-Y196 VanDerWaalsContact C-N 3.31Å; Y196-K198 VanDerWaalsContact C-N 3.34Å; Y196-K198 PolarHBondContact O-N 3.33Å; Y196-T199 PolarHBondContact O-N 3.42Å; Y196-L200 HydrophobicContact CE1-CD2 4.07Å; Y196-L200 VanDerWaalsContact O-CB 3.29Å; Y196-L200 WeakPolarHBondContact O-CB 3.46Å; Y196-L200 PolarHBondContact O-N 3.38Å
197E91.3Very high86.4Confident67 Ų6754.4 Ų54.431%0.31326%0.257SS..Hα-helixtrans-56.6-48.7175.5169.8171.1-141.200110.9L167 Y171 V193 R194 T199 L200 I201L167-E197 HydrophobicContact CD1-CB 3.9Å; L167-E197 HydrophobicContact CD1-CG 3.67Å; L167-E197 HydrophobicContact CD2-CB 4Å; Y171-E197 WeakPolarHBondContact CE2-OE2 3.5Å; Y171-E197 VanDerWaalsContact CZ-OE2 3.26Å; Y171-E197 PolarHBondContact OH-OE2 3.4Å; V193-E197 WeakPolarHBondContact O-CB 3.45Å; V193-E197 PolarHBondContact O-N 2.8Å; R194-E197 PolarHBondContact O-N 2.84Å; E197-T199 VanDerWaalsContact C-N 3.34Å; E197-T199 PolarHBondContact O-N 2.9Å; E197-L200 PolarHBondContact O-N 3.08Å; E197-I201 HydrophobicContact CG-CG1 4.3Å; E197-I201 WeakPolarHBondContact O-CB 3.23Å; E197-I201 VanDerWaalsContact O-CG1 3.25Å; E197-I201 WeakPolarHBondContact O-CG1 3.49Å; E197-I201 PolarHBondContact O-N 2.82Å
198K87.7Confident87.6Confident139 Ų13959.1 Ų59.160%0.60427%0.273SS*.Hα-helixtrans-57.2-49178.1-177.8-178.6175.5-174.50111.1R194 E195 Y196 L200 I201 D202R194-K198 PolarHBondContact O-N 3.48Å; E195-K198 PolarHBondContact O-N 3.06Å; Y196-K198 VanDerWaalsContact C-N 3.34Å; Y196-K198 PolarHBondContact O-N 3.33Å; K198-L200 PolarHBondContact O-N 3.37Å; K198-I201 PolarHBondContact O-N 3.37Å; K198-D202 WeakPolarHBondContact O-CB 3.36Å; K198-D202 VanDerWaalsContact O-CG 3.25Å; K198-D202 PolarHBondContact O-N 2.86Å
199T83.1Confident88.4Confident63 Ų6352.7 Ų52.739%0.38725%0.249SC..Hα-helixtrans-59.5-48.8179.4-54.10000110.9E195 Y196 E197 I201 D202 E203E195-T199 WeakPolarHBondContact O-CB 3.37Å; E195-T199 PolarHBondContact O-N 2.96Å; E195-T199 PolarHBondContact O-OG1 3.07Å; Y196-T199 PolarHBondContact O-N 3.42Å; E197-T199 VanDerWaalsContact C-N 3.34Å; E197-T199 PolarHBondContact O-N 2.9Å; T199-I201 VanDerWaalsContact C-N 3.33Å; T199-I201 PolarHBondContact O-N 3.05Å; T199-D202 PolarHBondContact O-N 3.46Å; T199-E203 VanDerWaalsContact O-CG 3.31Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.44Å
200L87.2Confident89.2Confident2 Ų252.1 Ų52.11%0.0125%0.245CC..Hα-helixtrans-65.4-34.8-177.6-172.264.2000112.9V67 K70 I135 I163 Y196 E197 K198V67-L200 HydrophobicContact CG1-CD2 3.78Å; V67-L200 HydrophobicContact CG2-CD2 4.36Å; K70-L200 HydrophobicContact CD-CD1 4.48Å; I135-L200 HydrophobicContact CG2-CD1 4.24Å; I163-L200 HydrophobicContact CB-CD2 4.34Å; I163-L200 HydrophobicContact CD1-CD1 4.42Å; I163-L200 HydrophobicContact CD1-CD2 4.35Å; I163-L200 HydrophobicContact CD1-CG 4.07Å; I163-L200 HydrophobicContact CG1-CD2 3.97Å; I163-L200 HydrophobicContact CG1-CG 4.25Å; I163-L200 HydrophobicContact CG2-CD2 3.59Å; I163-L200 HydrophobicContact CG2-CG 4.12Å; Y196-L200 HydrophobicContact CE1-CD2 4.07Å; Y196-L200 VanDerWaalsContact O-CB 3.29Å; Y196-L200 WeakPolarHBondContact O-CB 3.46Å; Y196-L200 PolarHBondContact O-N 3.38Å; E197-L200 PolarHBondContact O-N 3.08Å; K198-L200 PolarHBondContact O-N 3.37Å
201I89.9Confident89.6Confident65 Ų6552.7 Ų52.733%0.33326%0.255SS..Hα-helixtrans-73.5-41.9174.5-66.2-63.3000111L160 I163 E197 K198 T199 E203 L204L160-I201 HydrophobicContact CD1-CD1 3.81Å; I163-I201 HydrophobicContact CG2-CD1 4.19Å; E197-I201 HydrophobicContact CG-CG1 4.3Å; E197-I201 WeakPolarHBondContact O-CB 3.23Å; E197-I201 VanDerWaalsContact O-CG1 3.25Å; E197-I201 WeakPolarHBondContact O-CG1 3.49Å; E197-I201 PolarHBondContact O-N 2.82Å; K198-I201 PolarHBondContact O-N 3.37Å; T199-I201 VanDerWaalsContact C-N 3.33Å; T199-I201 PolarHBondContact O-N 3.05Å; I201-E203 PolarHBondContact O-N 3.29Å; I201-L204 HydrophobicContact CD1-CD1 4.15Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 3.16Å; I201-L204 VanDerWaalsContact O-N 3.08Å
202D88.5Confident90.2Very high47 Ų4751.1 Ų51.125%0.25125%0.249SC..Hα-helixtrans-60.1-36.9177.1-78.5-10000111.1K198 T199 L204 N205 R208K198-D202 WeakPolarHBondContact O-CB 3.36Å; K198-D202 VanDerWaalsContact O-CG 3.25Å; K198-D202 PolarHBondContact O-N 2.86Å; T199-D202 PolarHBondContact O-N 3.46Å; D202-L204 PolarHBondContact O-N 3.38Å; D202-N205 PolarHBondContact O-N 3.37Å; D202-R208 WeakPolarHBondContact O-CD 3.29Å; D202-R208 IonicContact OD2-CZ 2.88Å; D202-R208 IonicContact OD2-NH2 2.89Å; D202-R208 PolarHBondContact OD2-NH2 2.88Å
203E87.5Confident91Very high36 Ų3650.9 Ų50.917%0.16825%0.248CC..THydrogen-bonded Turntrans-67.7-18.2176.9-70.3179.9164.500114.4K70 I135 T199 I201 N205K70-E203 IonicContact NZ-OE1 3.7Å; K70-E203 PolarHBondContact NZ-OE1 2.87Å; K70-E203 IonicContact NZ-OE2 3.28Å; K70-E203 PolarHBondContact NZ-OE2 3.25Å; I135-E203 HydrophobicContact CD1-CB 3.42Å; I135-E203 VanDerWaalsContact CD1-CB 3.42Å; I135-E203 HydrophobicContact CD1-CG 4.47Å; I135-E203 WeakPolarHBondContact CD1-O 3.35Å; T199-E203 VanDerWaalsContact O-CG 3.31Å; T199-E203 WeakPolarHBondContact O-CG 3.39Å; T199-E203 PolarHBondContact O-N 3.44Å; I201-E203 PolarHBondContact O-N 3.29Å; E203-N205 PolarHBondContact O-N 3.35Å
204L90.9Very high91.4Very high31 Ų3154.1 Ų54.116%0.16226%0.264CS..THydrogen-bonded Turntrans-73.1-11.3175.3-64.5176.8000112.8I155 I159 L160 I163 I201 D202 E238I155-L204 HydrophobicContact CG2-CD2 4.08Å; I159-L204 HydrophobicContact CG2-CD2 3.67Å; L160-L204 HydrophobicContact CB-CD1 4.41Å; L160-L204 HydrophobicContact CD1-CD1 3.77Å; I163-L204 HydrophobicContact CD1-CD1 3.85Å; I163-L204 HydrophobicContact CD1-CD2 3.84Å; I163-L204 HydrophobicContact CD1-CG 4.18Å; I201-L204 HydrophobicContact CD1-CD1 4.15Å; I201-L204 WeakPolarHBondContact O-CB 3.34Å; I201-L204 PolarHBondContact O-N 3.16Å; I201-L204 VanDerWaalsContact O-N 3.08Å; D202-L204 PolarHBondContact O-N 3.38Å; L204-E238 VanDerWaalsContact O-O 3.11Å
205N93.7Very high91.8Very high41 Ų4150.2 Ų50.222%0.21925%0.252CS..  trans-103.895.1174.8-171-20.2000110.1D202 E203 L207 R208 E238D202-N205 PolarHBondContact O-N 3.37Å; E203-N205 PolarHBondContact O-N 3.35Å; N205-L207 PolarHBondContact O-N 3.34Å; N205-L207 VanDerWaalsContact OD1-CB 3.26Å; N205-L207 WeakPolarHBondContact OD1-CB 3.31Å; N205-L207 PolarHBondContact OD1-N 3.4Å; N205-R208 HydrophobicContact CB-CG 4.35Å; N205-R208 WeakPolarHBondContact O-CB 3.47Å; N205-R208 PolarHBondContact O-N 3.01Å; N205-R208 VanDerWaalsContact O-N 3.12Å; N205-E238 PolarHBondContact ND2-OE1 3.45Å
206L95.5Very high92.5Very high2 Ų244.7 Ų44.71%0.0123%0.226CC..Hα-helixtrans-66-16-179.4-64.6-178000113.5K153 I155 R208 E209 S210 E238 M241K153-L206 HydrophobicContact CB-CD1 4.47Å; K153-L206 HydrophobicContact CD-CD2 4.21Å; K153-L206 HydrophobicContact CG-CD1 4.22Å; K153-L206 WeakPolarHBondContact O-CD1 3.38Å; I155-L206 HydrophobicContact CD1-CD1 4Å; I155-L206 HydrophobicContact CD1-CD2 3.83Å; I155-L206 HydrophobicContact CD1-CG 3.77Å; I155-L206 HydrophobicContact CG1-CD1 3.91Å; I155-L206 HydrophobicContact CG1-CG 3.94Å; L206-R208 PolarHBondContact O-N 2.6Å; L206-E209 PolarHBondContact O-N 2.89Å; L206-S210 PolarHBondContact O-N 3.1Å; L206-S210 PolarHBondContact O-OG 2.91Å; L206-E238 PolarHBondContact N-O 3.23Å; L206-M241 HydrophobicContact CB-CB 3.98Å; L206-M241 HydrophobicContact CD1-CB 4.13Å
207L95.7Very high93Very high71 Ų7147.6 Ų47.637%0.37224%0.237SC..Hα-helixtrans-62.6-28.8172.5-65.5174000112.1N205 S210 A211 C236 E238N205-L207 PolarHBondContact O-N 3.34Å; N205-L207 VanDerWaalsContact OD1-CB 3.26Å; N205-L207 WeakPolarHBondContact OD1-CB 3.31Å; N205-L207 PolarHBondContact OD1-N 3.4Å; L207-S210 PolarHBondContact O-N 3.03Å; L207-A211 WeakPolarHBondContact O-CB 3.38Å; L207-A211 PolarHBondContact O-N 3.38Å; L207-C236 HydrophobicContact CD2-CB 3.92Å; L207-E238 HydrophobicContact CD1-CG 3.94Å
208R94.3Very high93.3Very high127 Ų12751.7 Ų51.748%0.47925%0.25SC..Hα-helixtrans-65.7-47.1175.2-64.417362.694.5-6.2110.6D202 N205 L206 A211 N212D202-R208 WeakPolarHBondContact O-CD 3.29Å; D202-R208 IonicContact OD2-CZ 2.88Å; D202-R208 IonicContact OD2-NH2 2.89Å; D202-R208 PolarHBondContact OD2-NH2 2.88Å; N205-R208 HydrophobicContact CB-CG 4.35Å; N205-R208 WeakPolarHBondContact O-CB 3.47Å; N205-R208 PolarHBondContact O-N 3.01Å; N205-R208 VanDerWaalsContact O-N 3.12Å; L206-R208 PolarHBondContact O-N 2.6Å; R208-A211 PolarHBondContact O-N 2.88Å; R208-N212 WeakPolarHBondContact O-CB 3.37Å; R208-N212 PolarHBondContact O-N 3.14Å; R208-N212 PolarHBondContact O-ND2 3.38Å; R208-N212 PolarHBondContact O-OD1 2.82Å
209E94.8Very high93.7Very high14 Ų1446.4 Ų46.47%0.06523%0.228CC..Hα-helixtrans-62.3-43.5175.2-175.4177.7161.300111.2K153 L206 A211 N212 A213 M241K153-E209 IonicContact NZ-OE1 4Å; K153-E209 PolarHBondContact NZ-OE1 3.29Å; K153-E209 IonicContact NZ-OE2 3.15Å; K153-E209 PolarHBondContact NZ-OE2 3.11Å; L206-E209 PolarHBondContact O-N 2.89Å; E209-A211 PolarHBondContact O-N 3.39Å; E209-N212 PolarHBondContact O-N 2.99Å; E209-A213 WeakPolarHBondContact O-CB 3.2Å; E209-A213 PolarHBondContact O-N 3.41Å; E209-M241 HydrophobicContact CB-SD 4.17Å; E209-M241 HydrophobicContact CG-CE 4.33Å; E209-M241 HydrophobicContact CG-SD 3.85Å
210S96.6Very high94.3Very high5 Ų543.8 Ų43.84%0.03521%0.211CC..Hα-helixtrans-56.2-49.3173.9-64.90000112.3L206 L207 N212 A213 I214 M241L206-S210 PolarHBondContact O-N 3.1Å; L206-S210 PolarHBondContact O-OG 2.91Å; L207-S210 PolarHBondContact O-N 3.03Å; S210-N212 VanDerWaalsContact C-N 3.34Å; S210-N212 PolarHBondContact O-N 3.04Å; S210-A213 PolarHBondContact O-N 3.46Å; S210-I214 WeakPolarHBondContact O-CD1 3.39Å; S210-I214 WeakPolarHBondContact O-CG1 3.39Å; S210-I214 PolarHBondContact O-N 3.43Å; S210-M241 WeakPolarHBondContact OG-CG 3.32Å
211A96.1Very high94.6Very high57 Ų5750.2 Ų50.247%0.47124%0.241SC..Hα-helixtrans-62.6-41.5179.300000112.1L207 R208 E209 I214 Q215L207-A211 WeakPolarHBondContact O-CB 3.38Å; L207-A211 PolarHBondContact O-N 3.38Å; R208-A211 PolarHBondContact O-N 2.88Å; E209-A211 PolarHBondContact O-N 3.39Å; A211-I214 PolarHBondContact O-N 2.98Å; A211-Q215 PolarHBondContact O-N 3.45Å
212N96Very high94.7Very high30 Ų3054.7 Ų54.716%0.1627%0.266CS..Hα-helixtrans-62.9-45.5176.4-68.6-18000111.9R208 E209 S210 Q215 L216 F284 C311 V314R208-N212 WeakPolarHBondContact O-CB 3.37Å; R208-N212 PolarHBondContact O-N 3.14Å; R208-N212 PolarHBondContact O-ND2 3.38Å; R208-N212 PolarHBondContact O-OD1 2.82Å; E209-N212 PolarHBondContact O-N 2.99Å; S210-N212 VanDerWaalsContact C-N 3.34Å; S210-N212 PolarHBondContact O-N 3.04Å; N212-Q215 PolarHBondContact O-N 3.23Å; N212-L216 WeakPolarHBondContact O-CB 3.26Å; N212-L216 PolarHBondContact O-N 3.04Å; N212-F284 HydrophobicContact CB-CZ 4.48Å; N212-C311 HydrophobicContact CB-CB 4.02Å; N212-C311 VanDerWaalsContact CB-O 3.28Å; N212-C311 WeakPolarHBondContact CB-O 3.41Å; N212-C311 PolarHBondContact ND2-O 3.17Å; N212-V314 HydrophobicContact CB-CG1 3.78Å; N212-V314 HydrophobicContact CB-CG2 4.31Å; N212-V314 VanDerWaalsContact CG-CG2 3.47Å; N212-V314 WeakPolarHBondContact ND2-CG2 3.37Å; N212-V314 WeakPolarHBondContact OD1-CG2 3.45Å
213A97Very high94.9Very high5 Ų553 Ų534%0.04126%0.258CS..Hα-helixtrans-63.8-41.5178.400000111.8E209 S210 Q215 L216 R217 I228 V231 M241 C311E209-A213 WeakPolarHBondContact O-CB 3.2Å; E209-A213 PolarHBondContact O-N 3.41Å; S210-A213 PolarHBondContact O-N 3.46Å; A213-Q215 PolarHBondContact O-N 3.44Å; A213-L216 PolarHBondContact O-N 3.31Å; A213-R217 VanDerWaalsContact O-CB 3.27Å; A213-R217 WeakPolarHBondContact O-CB 3.47Å; A213-R217 PolarHBondContact O-N 3.3Å; A213-I228 HydrophobicContact CB-CG2 4.34Å; A213-V231 HydrophobicContact CB-CG2 3.63Å; A213-M241 HydrophobicContact CB-CE 4.18Å; A213-C311 HydrophobicContact CB-CB 3.96Å
214I97.3Very high95.2Very high71 Ų7154.5 Ų54.536%0.36427%0.271SS..Hα-helixtrans-60.7-46.5175-68.2162.5000110.8S210 A211 R217 R218 V231 P233S210-I214 WeakPolarHBondContact O-CD1 3.39Å; S210-I214 WeakPolarHBondContact O-CG1 3.39Å; S210-I214 PolarHBondContact O-N 3.43Å; A211-I214 PolarHBondContact O-N 2.98Å; I214-R217 PolarHBondContact O-N 2.94Å; I214-R218 WeakPolarHBondContact O-CB 3.48Å; I214-R218 PolarHBondContact O-N 3.41Å; I214-V231 HydrophobicContact CD1-CB 4.33Å; I214-V231 HydrophobicContact CD1-CG1 4.35Å; I214-V231 HydrophobicContact CG1-CB 3.88Å; I214-V231 HydrophobicContact CG1-CG1 4.41Å; I214-V231 HydrophobicContact CG1-CG2 4.29Å; I214-P233 HydrophobicContact CD1-CG 3.9Å
215Q96.8Very high95.4Very high58 Ų5854.4 Ų54.427%0.27127%0.27SS..Hα-helixtrans-63-47177.9178.265.748.200111.9A211 N212 A213 R218 N219 F284A211-Q215 PolarHBondContact O-N 3.45Å; N212-Q215 PolarHBondContact O-N 3.23Å; A213-Q215 PolarHBondContact O-N 3.44Å; Q215-R218 PolarHBondContact O-N 3.15Å; Q215-N219 PolarHBondContact NE2-OD1 3.26Å; Q215-N219 VanDerWaalsContact O-CG 3.26Å; Q215-N219 PolarHBondContact O-N 2.76Å; Q215-N219 PolarHBondContact O-OD1 3.27Å; Q215-F284 HydrophobicContact CB-CD1 4.31Å; Q215-F284 HydrophobicContact CB-CE1 3.74Å; Q215-F284 HydrophobicContact CB-CZ 4.31Å; Q215-F284 HydrophobicContact CG-CD1 3.55Å; Q215-F284 HydrophobicContact CG-CE1 3.45Å; Q215-F284 VanDerWaalsContact CG-CE1 3.45Å; Q215-F284 HydrophobicContact CG-CG 4.23Å; Q215-F284 HydrophobicContact CG-CZ 4.1Å
216L96.5Very high95.5Very high0 Ų052.5 Ų52.50%026%0.26CS..Hα-helixtrans-63.5-41.4178.9-78.9168.3000111.5N212 A213 R218 N219 F220 I228 F284 H286 C311 V314N212-L216 WeakPolarHBondContact O-CB 3.26Å; N212-L216 PolarHBondContact O-N 3.04Å; A213-L216 PolarHBondContact O-N 3.31Å; L216-R218 PolarHBondContact O-N 2.85Å; L216-N219 PolarHBondContact O-N 3.23Å; L216-F220 WeakPolarHBondContact O-CD2 3.19Å; L216-F220 PolarHBondContact O-N 3.43Å; L216-I228 HydrophobicContact CB-CG1 4.04Å; L216-I228 HydrophobicContact CB-CG2 4.47Å; L216-F284 HydrophobicContact CD2-CD1 3.81Å; L216-F284 HydrophobicContact CD2-CE1 4.12Å; L216-F284 HydrophobicContact CG-CD1 3.98Å; L216-F284 HydrophobicContact CG-CE1 3.77Å; L216-H286 HydrophobicContact CD1-CB 3.96Å; L216-C311 HydrophobicContact CD1-CB 4.04Å; L216-V314 HydrophobicContact CD1-CG1 4.03Å
217R96.9Very high95.6Very high69 Ų6954.9 Ų54.926%0.2627%0.269SS..Hα-helixtrans-58.2-49.2174.3-178.5178.7175.888.1-3.6111.1A213 I214 N219 F220 E221 Y227 I228 E244A213-R217 VanDerWaalsContact O-CB 3.27Å; A213-R217 WeakPolarHBondContact O-CB 3.47Å; A213-R217 PolarHBondContact O-N 3.3Å; I214-R217 PolarHBondContact O-N 2.94Å; R217-N219 VanDerWaalsContact C-N 3.27Å; R217-N219 PolarHBondContact O-N 2.97Å; R217-F220 CarbonylContact O-C 3.55Å; R217-F220 VanDerWaalsContact O-C 3.28Å; R217-F220 PolarHBondContact O-N 3Å; R217-E221 PolarHBondContact O-N 3.29Å; R217-Y227 PolarHBondContact NH1-OH 2.98Å; R217-Y227 PolarHBondContact NH2-OH 2.84Å; R217-I228 HydrophobicContact CB-CB 3.95Å; R217-I228 HydrophobicContact CB-CG2 4.19Å; R217-I228 PolarHBondContact NH1-O 3.07Å; R217-E244 IonicContact NH1-OE2 2.82Å
218R96.8Very high95.6Very high152 Ų15251.8 Ų51.857%0.57425%0.252SS*.Hα-helixtrans-59.1-38.3178.6-177.3171.463.5177.91112.5I214 Q215 L216 F220 E221I214-R218 WeakPolarHBondContact O-CB 3.48Å; I214-R218 PolarHBondContact O-N 3.41Å; Q215-R218 PolarHBondContact O-N 3.15Å; L216-R218 PolarHBondContact O-N 2.85Å; R218-F220 PolarHBondContact O-N 3.45Å; R218-E221 PolarHBondContact O-N 3.35Å
219N96Very high95.8Very high29 Ų2946 Ų4616%0.15523%0.231CC..Hα-helixtrans-64.1-28.6176.8-68.4-7.4000112.5Q215 L216 R217 R281 D282Q215-N219 PolarHBondContact NE2-OD1 3.26Å; Q215-N219 VanDerWaalsContact O-CG 3.26Å; Q215-N219 PolarHBondContact O-N 2.76Å; Q215-N219 PolarHBondContact O-OD1 3.27Å; L216-N219 PolarHBondContact O-N 3.23Å; R217-N219 VanDerWaalsContact C-N 3.27Å; R217-N219 PolarHBondContact O-N 2.97Å; N219-R281 PolarHBondContact O-NH2 3.14Å; N219-D282 HydrophobicContact CB-CB 4.45Å; N219-D282 WeakPolarHBondContact ND2-CB 3.44Å
220F96.4Very high95.9Very high8 Ų848.2 Ų48.24%0.03524%0.242CC..THydrogen-bonded Turntrans-112.721.8-178.9-72.6-89.2000113L216 R217 R218 D222 S223 L226 V274 T277 Q278L216-F220 WeakPolarHBondContact O-CD2 3.19Å; L216-F220 PolarHBondContact O-N 3.43Å; R217-F220 CarbonylContact O-C 3.55Å; R217-F220 VanDerWaalsContact O-C 3.28Å; R217-F220 PolarHBondContact O-N 3Å; R218-F220 PolarHBondContact O-N 3.45Å; F220-D222 PolarHBondContact O-N 2.96Å; F220-S223 WeakPolarHBondContact O-CB 3.48Å; F220-S223 PolarHBondContact O-N 3.11Å; F220-L226 HydrophobicContact CD1-CB 3.72Å; F220-L226 HydrophobicContact CD1-CD2 4.15Å; F220-L226 HydrophobicContact CD1-CG 4.38Å; F220-L226 HydrophobicContact CD2-CD2 3.8Å; F220-L226 HydrophobicContact CE1-CB 4.1Å; F220-L226 HydrophobicContact CE1-CD2 4.2Å; F220-L226 HydrophobicContact CE2-CD2 3.87Å; F220-L226 HydrophobicContact CG-CB 4.08Å; F220-L226 HydrophobicContact CG-CD2 3.96Å; F220-L226 HydrophobicContact CG-CG 4.28Å; F220-L226 HydrophobicContact CZ-CD2 4.07Å; F220-V274 HydrophobicContact CZ-CG1 4.48Å; F220-T277 HydrophobicContact CE1-CG2 3.88Å; F220-T277 HydrophobicContact CZ-CG2 3.72Å; F220-Q278 HydrophobicContact CE2-CG 3.54Å; F220-Q278 HydrophobicContact CZ-CG 3.65Å
221E94Very high95.9Very high137 Ų13748.4 Ų48.464%0.6424%0.243SC*.THydrogen-bonded Turntrans-55.8132.6171.8-167.2162.9-143.200109R217 R218 S223R217-E221 PolarHBondContact O-N 3.29Å; R218-E221 PolarHBondContact O-N 3.35Å; E221-S223 PolarHBondContact O-N 3.11Å
222D91.2Very high96Very high158 Ų15846.6 Ų46.685%0.84522%0.224SC*.THydrogen-bonded Turntrans56.510.3-174.4-53.3-40.3000116.3F220F220-D222 PolarHBondContact O-N 2.96Å
223S93.7Very high96Very high12 Ų1248.8 Ų48.88%0.08424%0.24CC..  trans-71.1135177.8-1720000110.9F220 E221 M225 K305F220-S223 WeakPolarHBondContact O-CB 3.48Å; F220-S223 PolarHBondContact O-N 3.11Å; E221-S223 PolarHBondContact O-N 3.11Å; S223-M225 VanDerWaalsContact C-N 3.25Å; S223-M225 PolarHBondContact O-N 3.46Å; S223-M225 PolarHBondContact OG-N 3.27Å; S223-K305 WeakPolarHBondContact O-CE 3.34Å; S223-K305 PolarHBondContact O-NZ 3.08Å
224P93.4Very high95.8Very high68 Ų6856 Ų5644%0.44228%0.278SS..SBendtrans-79.5-8.717133.2-35.5000112.5R270 K305P224-R270 PolarHBondContact O-NH1 3.43Å; P224-K305 WeakPolarHBondContact O-CG 3.46Å
225M94.3Very high95.8Very high29 Ų2954.4 Ų54.414%0.14327%0.267CS..SBendtrans-94.7-42.7-169-56.5-179.1-72.100113.5S223 R270 Q273 V274 Y306S223-M225 VanDerWaalsContact C-N 3.25Å; S223-M225 PolarHBondContact O-N 3.46Å; S223-M225 PolarHBondContact OG-N 3.27Å; M225-R270 HydrophobicContact CB-CG 4.47Å; M225-R270 HydrophobicContact CG-CG 4.25Å; M225-Q273 HydrophobicContact SD-CB 3.86Å; M225-Q273 PolarHBondContact SD-OE1 3.15Å; M225-Q273 VanDerWaalsContact SD-OE1 3.37Å; M225-V274 HydrophobicContact CB-CG2 3.64Å; M225-Y306 WeakPolarHBondContact O-CB 3.12Å; M225-Y306 PolarHBondContact O-N 3.44Å
226L96.2Very high95.7Very high1 Ų152.8 Ų52.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-136.2136.4-175.9175.264.7000109.7F220 I228 V274 M289 Y306F220-L226 HydrophobicContact CD1-CB 3.72Å; F220-L226 HydrophobicContact CD1-CD2 4.15Å; F220-L226 HydrophobicContact CD1-CG 4.38Å; F220-L226 HydrophobicContact CD2-CD2 3.8Å; F220-L226 HydrophobicContact CE1-CB 4.1Å; F220-L226 HydrophobicContact CE1-CD2 4.2Å; F220-L226 HydrophobicContact CE2-CD2 3.87Å; F220-L226 HydrophobicContact CG-CB 4.08Å; F220-L226 HydrophobicContact CG-CD2 3.96Å; F220-L226 HydrophobicContact CG-CG 4.28Å; F220-L226 HydrophobicContact CZ-CD2 4.07Å; L226-I228 HydrophobicContact CD1-CD1 4.07Å; L226-I228 HydrophobicContact CD2-CD1 4.12Å; L226-I228 HydrophobicContact CD2-CG1 4.41Å; L226-I228 HydrophobicContact CG-CD1 4.12Å; L226-I228 HydrophobicContact CG-CG1 4.35Å; L226-V274 HydrophobicContact CB-CG1 4.14Å; L226-V274 HydrophobicContact CB-CG2 3.88Å; L226-V274 HydrophobicContact CD2-CG1 3.66Å; L226-V274 HydrophobicContact CG-CG1 4.35Å; L226-M289 HydrophobicContact CD1-CE 4.44Å; L226-Y306 CarbonylContact C-O 3.49Å; L226-Y306 WeakPolarHBondContact CA-O 3.43Å
227Y97.2Very high95.7Very high52 Ų5254.3 Ų54.320%0.20427%0.273CS..EExtended strand (participates in β ladder)trans-115.2137.6169.1-168.6-119.4000109.3R217 E244 I246 Y306 I307 G308R217-Y227 PolarHBondContact NH1-OH 2.98Å; R217-Y227 PolarHBondContact NH2-OH 2.84Å; Y227-E244 PolarHBondContact OH-OE1 3.42Å; Y227-E244 PolarHBondContact OH-OE2 3.47Å; Y227-I246 HydrophobicContact CE1-CG2 4.29Å; Y227-Y306 PolarHBondContact N-O 2.91Å; Y227-I307 HydrophobicContact CD1-CG2 4.06Å; Y227-I307 CarbonylContact O-C 3.59Å; Y227-I307 VanDerWaalsContact O-CA 3.3Å; Y227-I307 WeakPolarHBondContact O-CA 3.47Å; Y227-G308 PolarHBondContact O-N 2.91Å
228I97.1Very high95.6Very high5 Ų556.8 Ų56.83%0.02629%0.287CS..  trans-120.4126.2169.5-56.8-65.5000106.4A213 L216 R217 L226A213-I228 HydrophobicContact CB-CG2 4.34Å; L216-I228 HydrophobicContact CB-CG1 4.04Å; L216-I228 HydrophobicContact CB-CG2 4.47Å; R217-I228 HydrophobicContact CB-CB 3.95Å; R217-I228 HydrophobicContact CB-CG2 4.19Å; R217-I228 PolarHBondContact NH1-O 3.07Å; L226-I228 HydrophobicContact CD1-CD1 4.07Å; L226-I228 HydrophobicContact CD2-CD1 4.12Å; L226-I228 HydrophobicContact CD2-CG1 4.41Å; L226-I228 HydrophobicContact CG-CD1 4.12Å; L226-I228 HydrophobicContact CG-CG1 4.35Å
229P96.9Very high95.5Very high5 Ų551 Ų513%0.03228%0.275CS..PPolyproline II helixtrans-51.4144.4-177.2-20.925.1000112.9V231 E244 I246 G308 I309P229-V231 PolarHBondContact O-N 3.24Å; P229-E244 HydrophobicContact CB-CB 4.14Å; P229-I246 HydrophobicContact CB-CG2 3.98Å; P229-I246 HydrophobicContact CG-CG2 3.68Å; P229-G308 WeakPolarHBondContact CD-O 3.24Å; P229-I309 HydrophobicContact CG-CG2 4.09Å
230E97.1Very high95.4Very high61 Ų6149.8 Ų49.829%0.28527%0.269SS..PPolyproline II helixtrans-63.8128173.4-171.7176.9-171.300110.1K148 Y232 M243 E244K148-E230 IonicContact NZ-OE1 3.87Å; K148-E230 IonicContact NZ-OE2 3.81Å; K148-E230 PolarHBondContact NZ-OE2 2.82Å; E230-Y232 HydrophobicContact CG-CE1 4.4Å; E230-M243 CarbonylContact O-C 3.45Å; E230-M243 WeakPolarHBondContact O-CA 3.43Å; E230-M243 WeakPolarHBondContact O-CB 3.4Å; E230-E244 HydrophobicContact CB-CB 4.08Å; E230-E244 PolarHBondContact N-OE2 3.32Å; E230-E244 PolarHBondContact O-N 2.93Å
231V97.8Very high95.5Very high10 Ų1049.5 Ų49.56%0.06127%0.267CS..BIsolated β-bridgetrans-94.7139.4170.9-1800000108A213 I214 P229 P233 M241 M243A213-V231 HydrophobicContact CB-CG2 3.63Å; I214-V231 HydrophobicContact CD1-CB 4.33Å; I214-V231 HydrophobicContact CD1-CG1 4.35Å; I214-V231 HydrophobicContact CG1-CB 3.88Å; I214-V231 HydrophobicContact CG1-CG1 4.41Å; I214-V231 HydrophobicContact CG1-CG2 4.29Å; P229-V231 PolarHBondContact O-N 3.24Å; V231-P233 VanDerWaalsContact O-CD 3.25Å; V231-P233 WeakPolarHBondContact O-CD 3.25Å; V231-M241 HydrophobicContact CG1-CE 4.21Å; V231-M241 HydrophobicContact CG2-CE 3.55Å; V231-M243 HydrophobicContact CG2-CB 4.28Å
232Y97.3Very high95.7Very high18 Ų1843 Ų437%0.07124%0.237CC..  trans-101.993.9177-57.2-83.4000109.5L143 K148 V150 E230 D234 Y235 C236 V242 E244L143-Y232 HydrophobicContact CD1-CD1 3.75Å; L143-Y232 HydrophobicContact CD1-CD2 4.09Å; L143-Y232 HydrophobicContact CD1-CE1 3.61Å; L143-Y232 HydrophobicContact CD1-CE2 3.96Å; L143-Y232 HydrophobicContact CD1-CG 3.98Å; K148-Y232 HydrophobicContact CD-CE1 4.17Å; K148-Y232 WeakPolarHBondContact CD-OH 3.47Å; V150-Y232 HydrophobicContact CG1-CD2 3.94Å; V150-Y232 HydrophobicContact CG1-CE2 3.41Å; V150-Y232 VanDerWaalsContact CG1-CE2 3.41Å; E230-Y232 HydrophobicContact CG-CE1 4.4Å; Y232-D234 VanDerWaalsContact C-N 3.28Å; Y232-D234 PolarHBondContact O-N 3.48Å; Y232-Y235 PolarHBondContact O-N 3.1Å; Y232-Y235 VanDerWaalsContact O-N 3.09Å; Y232-C236 PolarHBondContact O-SG 3.15Å; Y232-V242 HydrophobicContact CD2-CG1 4.07Å; Y232-V242 PolarHBondContact N-O 3.5Å; Y232-E244 HydrophobicContact CE2-CB 4.36Å
233P95.7Very high96Very high77 Ų7736.5 Ų36.550%0.520%0.202SC..G310 helixtrans-65.2-32.8-167.3-20.635.4000112.8I214 V231 Y235 C236I214-P233 HydrophobicContact CD1-CG 3.9Å; V231-P233 VanDerWaalsContact O-CD 3.25Å; V231-P233 WeakPolarHBondContact O-CD 3.25Å; P233-Y235 PolarHBondContact O-N 3.1Å; P233-Y235 VanDerWaalsContact O-N 3.09Å; P233-C236 WeakPolarHBondContact O-CB 3.43Å; P233-C236 PolarHBondContact O-N 3.27Å
234D94.3Very high96.2Very high156 Ų15638 Ų3883%0.83421%0.208SC*.G310 helixtrans-61.8-18.1178.5-59.7-28.4000113.2Y232Y232-D234 VanDerWaalsContact C-N 3.28Å; Y232-D234 PolarHBondContact O-N 3.48Å
235Y95.7Very high96.4Very high38 Ų3837.4 Ų37.415%0.14920%0.197CC..G310 helixtrans-109.19.3179-55.8-96000112.1M113 W121 F122 L143 S145 Y232 P233 M240 V242M113-Y235 HydrophobicContact CE-CD1 3.68Å; M113-Y235 HydrophobicContact CE-CE1 4.32Å; W121-Y235 HydrophobicContact CE3-CE1 4.03Å; F122-Y235 HydrophobicContact CE1-CD1 4.27Å; F122-Y235 HydrophobicContact CZ-CD1 4.05Å; L143-Y235 HydrophobicContact CD2-CD1 4.1Å; L143-Y235 HydrophobicContact CD2-CD2 4.24Å; L143-Y235 HydrophobicContact CD2-CE1 3.71Å; L143-Y235 HydrophobicContact CD2-CE2 3.85Å; L143-Y235 HydrophobicContact CD2-CG 4.35Å; S145-Y235 PolarHBondContact OG-OH 2.74Å; Y232-Y235 PolarHBondContact O-N 3.1Å; Y232-Y235 VanDerWaalsContact O-N 3.09Å; P233-Y235 PolarHBondContact O-N 3.1Å; P233-Y235 VanDerWaalsContact O-N 3.09Å; Y235-M240 WeakPolarHBondContact O-CE 3.16Å; Y235-V242 WeakPolarHBondContact O-CG2 3.45Å
236C96.4Very high96.4Very high23 Ų2338 Ų3816%0.15520%0.2CC..  trans-102.6146.1-179.2-65.90000112L207 Y232 P233 M240 V242L207-C236 HydrophobicContact CD2-CB 3.92Å; Y232-C236 PolarHBondContact O-SG 3.15Å; P233-C236 WeakPolarHBondContact O-CB 3.43Å; P233-C236 PolarHBondContact O-N 3.27Å; C236-M240 CarbonylContact C-O 3.5Å; C236-M240 WeakPolarHBondContact CA-O 3.45Å; C236-V242 PolarHBondContact SG-N 2.92Å
237S95.7Very high96.3Very high32 Ų3243.7 Ų43.722%0.22422%0.222CC..BIsolated β-bridgetrans-145.2178.1172.366.40000109.5G239 M240S237-G239 PolarHBondContact O-N 2.84Å; S237-M240 PolarHBondContact N-O 2.97Å; S237-M240 PolarHBondContact O-N 3.23Å; S237-M240 PolarHBondContact OG-N 3.38Å
238E94Very high96.2Very high121 Ų12141.7 Ų41.757%0.56522%0.218SC*.THydrogen-bonded Turntrans-58.1-35.7179-60.4-16814800112.6L204 N205 L206 L207L204-E238 VanDerWaalsContact O-O 3.11Å; N205-E238 PolarHBondContact ND2-OE1 3.45Å; L206-E238 PolarHBondContact N-O 3.23Å; L207-E238 HydrophobicContact CD1-CG 3.94Å
239G94.3Very high96.1Very high32 Ų3241.7 Ų41.733%0.3322%0.218SC..THydrogen-bonded Turntrans-96.5-3.7-177.500000115.4I155 S237I155-G239 PolarHBondContact N-O 3.32Å; S237-G239 PolarHBondContact O-N 2.84Å
240M95.7Very high95.9Very high3 Ų343.7 Ų43.72%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-148130.8-173.1-177.2179.876.900111.9I109 A112 M113 I152 K153 Y235 C236 S237 V242I109-M240 HydrophobicContact CB-SD 4.08Å; I109-M240 HydrophobicContact CG1-SD 3.93Å; I109-M240 HydrophobicContact CG2-SD 3.79Å; A112-M240 HydrophobicContact CB-CB 4.26Å; A112-M240 HydrophobicContact CB-CE 4.08Å; A112-M240 HydrophobicContact CB-SD 4.14Å; M113-M240 HydrophobicContact CG-CE 3.54Å; M113-M240 HydrophobicContact CG-SD 4.35Å; M113-M240 HydrophobicContact SD-CE 4.06Å; I152-M240 HydrophobicContact CG2-CG 3.77Å; I152-M240 HydrophobicContact CG2-SD 3.96Å; K153-M240 CarbonylContact O-C 3.02Å; K153-M240 WeakPolarHBondContact O-CA 3.35Å; Y235-M240 WeakPolarHBondContact O-CE 3.16Å; C236-M240 CarbonylContact C-O 3.5Å; C236-M240 WeakPolarHBondContact CA-O 3.45Å; S237-M240 PolarHBondContact N-O 2.97Å; S237-M240 PolarHBondContact O-N 3.23Å; S237-M240 PolarHBondContact OG-N 3.38Å; M240-V242 HydrophobicContact CE-CG2 4.41Å; M240-V242 HydrophobicContact CG-CG2 4.45Å
241M97.2Very high95.6Very high1 Ų140.9 Ų40.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-124.2132173.8169.8179.5-17600110K153 L206 E209 S210 A213 V231 M243K153-M241 HydrophobicContact CB-CB 4.35Å; K153-M241 PolarHBondContact N-O 2.92Å; K153-M241 PolarHBondContact O-N 3.3Å; L206-M241 HydrophobicContact CB-CB 3.98Å; L206-M241 HydrophobicContact CD1-CB 4.13Å; E209-M241 HydrophobicContact CB-SD 4.17Å; E209-M241 HydrophobicContact CG-CE 4.33Å; E209-M241 HydrophobicContact CG-SD 3.85Å; S210-M241 WeakPolarHBondContact OG-CG 3.32Å; A213-M241 HydrophobicContact CB-CE 4.18Å; V231-M241 HydrophobicContact CG1-CE 4.21Å; V231-M241 HydrophobicContact CG2-CE 3.55Å; M241-M243 HydrophobicContact CE-CB 4.36Å; M241-M243 HydrophobicContact CE-CE 4.09Å; M241-M243 HydrophobicContact CE-SD 3.93Å; M241-M243 HydrophobicContact SD-CE 4.16Å
242V97.9Very high95Very high0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-115.3124177.5-177.20000108.8F122 V150 V151 I152 Y232 Y235 C236 M240F122-V242 HydrophobicContact CE1-CG1 4.13Å; F122-V242 HydrophobicContact CZ-CG1 4.43Å; F122-V242 HydrophobicContact CZ-CG2 4.11Å; V150-V242 HydrophobicContact CB-CG1 3.99Å; V150-V242 HydrophobicContact CG1-CG1 4.27Å; V150-V242 HydrophobicContact CG2-CG1 4.11Å; V151-V242 WeakPolarHBondContact O-CA 3.11Å; I152-V242 HydrophobicContact CG1-CG2 4.21Å; I152-V242 HydrophobicContact CG2-CG2 4.21Å; Y232-V242 HydrophobicContact CD2-CG1 4.07Å; Y232-V242 PolarHBondContact N-O 3.5Å; Y235-V242 WeakPolarHBondContact O-CG2 3.45Å; C236-V242 PolarHBondContact SG-N 2.92Å; M240-V242 HydrophobicContact CE-CG2 4.41Å; M240-V242 HydrophobicContact CG-CG2 4.45Å
243M97.8Very high94.6Very high23 Ų2346.2 Ų46.211%0.11325%0.252CS..EExtended strand (participates in β ladder)trans-139.7162.8179.763.9-177.3129.400110.9V150 V151 K153 E230 V231 M241 R245V150-M243 CarbonylContact C-O 3.57Å; V150-M243 VanDerWaalsContact CA-O 3.26Å; V150-M243 WeakPolarHBondContact CA-O 3.49Å; V150-M243 WeakPolarHBondContact CB-O 3.35Å; V151-M243 HydrophobicContact CG2-CE 4.22Å; V151-M243 HydrophobicContact CG2-CG 3.4Å; V151-M243 HydrophobicContact CG2-SD 4.28Å; V151-M243 PolarHBondContact N-O 3.06Å; V151-M243 PolarHBondContact O-N 3.24Å; K153-M243 HydrophobicContact CB-CE 4.38Å; K153-M243 HydrophobicContact CD-CE 4.37Å; E230-M243 CarbonylContact O-C 3.45Å; E230-M243 WeakPolarHBondContact O-CA 3.43Å; E230-M243 WeakPolarHBondContact O-CB 3.4Å; V231-M243 HydrophobicContact CG2-CB 4.28Å; M241-M243 HydrophobicContact CE-CB 4.36Å; M241-M243 HydrophobicContact CE-CE 4.09Å; M241-M243 HydrophobicContact CE-SD 3.93Å; M241-M243 HydrophobicContact SD-CE 4.16Å; M243-R245 PolarHBondContact O-N 3.29Å
244E97.8Very high94.4Very high44 Ų4444.3 Ų44.321%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-54135.3175.8178.2-170.3176.600110.9R217 Y227 P229 E230 Y232 I246R217-E244 IonicContact NH1-OE2 2.82Å; Y227-E244 PolarHBondContact OH-OE1 3.42Å; Y227-E244 PolarHBondContact OH-OE2 3.47Å; P229-E244 HydrophobicContact CB-CB 4.14Å; E230-E244 HydrophobicContact CB-CB 4.08Å; E230-E244 PolarHBondContact N-OE2 3.32Å; E230-E244 PolarHBondContact O-N 2.93Å; Y232-E244 HydrophobicContact CE2-CB 4.36Å; E244-I246 PolarHBondContact O-N 3.06Å
245R97.3Very high94.3Very high55 Ų5540 Ų4021%0.20823%0.225CC..PPolyproline II helixtrans-76.6120171.1-175.5173-175.9174.52.3109E149 V151 M243 Y247E149-R245 HydrophobicContact CB-CB 3.95Å; E149-R245 PolarHBondContact O-N 3.15Å; V151-R245 HydrophobicContact CG1-CB 4.02Å; V151-R245 HydrophobicContact CG1-CG 3.92Å; M243-R245 PolarHBondContact O-N 3.29Å; R245-Y247 WeakPolarHBondContact CD-OH 3.33Å; R245-Y247 HydrophobicContact CG-CE2 4.12Å; R245-Y247 PolarHBondContact NE-OH 3.18Å; R245-Y247 VanDerWaalsContact NE-OH 3.13Å
246I94.9Very high94.3Very high41 Ų4139.5 Ų39.521%0.2123%0.229CC..PPolyproline II helixtrans-98.9154175.158.4144.3000112.2Y227 P229 E244 F295 I307 I309Y227-I246 HydrophobicContact CE1-CG2 4.29Å; P229-I246 HydrophobicContact CB-CG2 3.98Å; P229-I246 HydrophobicContact CG-CG2 3.68Å; E244-I246 PolarHBondContact O-N 3.06Å; I246-F295 HydrophobicContact CD1-CD2 4.09Å; I246-F295 HydrophobicContact CD1-CG 4.34Å; I246-I307 HydrophobicContact CB-CG2 4.31Å; I246-I307 HydrophobicContact CD1-CB 4.36Å; I246-I307 HydrophobicContact CD1-CG2 3.53Å; I246-I307 HydrophobicContact CG1-CG2 4.43Å; I246-I307 HydrophobicContact CG2-CG2 4.07Å; I246-I309 HydrophobicContact CD1-CG2 3.45Å; I246-I309 VanDerWaalsContact CD1-CG2 3.45Å; I246-I309 HydrophobicContact CG1-CG2 4.21Å
247Y94.8Very high94.2Very high120 Ų12038.4 Ų38.447%0.47122%0.221SC..  trans-126.1122.5170-59-88.8000108E149 R245E149-Y247 WeakPolarHBondContact OE2-CE2 3.25Å; E149-Y247 PolarHBondContact OE2-OH 3.28Å; R245-Y247 WeakPolarHBondContact CD-OH 3.33Å; R245-Y247 HydrophobicContact CG-CE2 4.12Å; R245-Y247 PolarHBondContact NE-OH 3.18Å; R245-Y247 VanDerWaalsContact NE-OH 3.13Å
248G95Very high94.1Very high11 Ų1143 Ų4311%0.11324%0.24CC..  trans-157.4167.2176.500000112V296 Y298G248-V296 CarbonylContact C-O 3.6Å; G248-V296 WeakPolarHBondContact CA-O 3.36Å; G248-Y298 VanDerWaalsContact C-OH 3.27Å; G248-Y298 PolarHBondContact O-OH 3.27Å
249I95.4Very high94.2Very high5 Ų546.5 Ų46.53%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-83.5124.6173.4-55.9171.7000107.5V251 D253 A256 L257 N260 F295 V296 Y298I249-V251 PolarHBondContact O-N 3.23Å; I249-D253 HydrophobicContact CG2-CB 4.3Å; I249-A256 HydrophobicContact CG2-CB 3.6Å; I249-L257 HydrophobicContact CB-CD2 3.73Å; I249-L257 HydrophobicContact CB-CG 4.41Å; I249-L257 HydrophobicContact CD1-CD2 3.99Å; I249-L257 HydrophobicContact CG1-CD2 4.43Å; I249-L257 HydrophobicContact CG2-CD2 3.64Å; I249-L257 HydrophobicContact CG2-CG 3.75Å; I249-N260 HydrophobicContact CD1-CB 3.54Å; I249-F295 CarbonylContact O-C 3.43Å; I249-F295 WeakPolarHBondContact O-CA 3.39Å; I249-V296 PolarHBondContact N-O 2.95Å; I249-V296 PolarHBondContact O-N 2.79Å; I249-Y298 HydrophobicContact CB-CE1 4.46Å; I249-Y298 HydrophobicContact CD1-CD1 3.79Å; I249-Y298 HydrophobicContact CD1-CE1 3.71Å; I249-Y298 HydrophobicContact CG1-CD1 3.65Å; I249-Y298 HydrophobicContact CG1-CE1 3.12Å
250P92.4Very high94.3Very high47 Ų4747.1 Ų47.131%0.30525%0.249SC..EExtended strand (participates in β ladder)trans-54.4133.9172.9-22.532.2000110.3S252 D253 F295P250-S252 PolarHBondContact O-N 2.95Å; P250-D253 HydrophobicContact CB-CB 4.43Å; P250-D253 PolarHBondContact O-N 3.47Å; P250-F295 HydrophobicContact CB-CD1 4.4Å; P250-F295 HydrophobicContact CB-CE1 4.33Å; P250-F295 HydrophobicContact CG-CD1 4.16Å; P250-F295 HydrophobicContact CG-CE1 3.95Å
251V89.3Confident94.3Very high1 Ų149.5 Ų49.51%0.00627%0.274CS..THydrogen-bonded Turntrans-62-23.6-17674.10000113.1I249 D253 P291 I294 V296 Y306 V415 L419I249-V251 PolarHBondContact O-N 3.23Å; V251-D253 VanDerWaalsContact C-N 3.31Å; V251-P291 HydrophobicContact CG1-CB 3.81Å; V251-I294 HydrophobicContact CB-CB 4.23Å; V251-I294 HydrophobicContact CB-CG2 3.99Å; V251-I294 HydrophobicContact CG1-CB 3.84Å; V251-I294 HydrophobicContact CG1-CG2 4.11Å; V251-I294 HydrophobicContact CG2-CG2 4.4Å; V251-I294 PolarHBondContact N-O 3.02Å; V251-V296 HydrophobicContact CG2-CG2 4.46Å; V251-Y306 HydrophobicContact CG2-CE1 4.09Å; V251-V415 HydrophobicContact CG1-CG2 4.23Å; V251-V415 HydrophobicContact CG2-CG1 3.63Å; V251-L419 HydrophobicContact CG2-CD1 3.95Å; V251-L419 HydrophobicContact CG2-CD2 4.32Å
252S86.1Confident94.2Very high68 Ų6849.8 Ų49.848%0.47628%0.276SS..THydrogen-bonded Turntrans-76-15.217650.20000113.9P250 V254P250-S252 PolarHBondContact O-N 2.95Å; S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 3.23Å
253D90Very high94.1Very high72 Ų7252.9 Ų52.939%0.38529%0.292SS..  trans-89.672177.7-165.7-15.4000110.7I249 P250 V251 A255 A256 L257I249-D253 HydrophobicContact CG2-CB 4.3Å; P250-D253 HydrophobicContact CB-CB 4.43Å; P250-D253 PolarHBondContact O-N 3.47Å; V251-D253 VanDerWaalsContact C-N 3.31Å; D253-A255 PolarHBondContact O-N 2.79Å; D253-A256 HydrophobicContact CB-CB 4.06Å; D253-A256 PolarHBondContact O-N 3.11Å; D253-A256 WeakPolarHBondContact OD1-CB 3.47Å; D253-A256 PolarHBondContact OD1-N 3.42Å; D253-A256 WeakPolarHBondContact OD2-CB 3.45Å; D253-L257 WeakPolarHBondContact O-CG 3.37Å; D253-L257 PolarHBondContact O-N 3.33Å
254V89.9Confident94Very high37 Ų3753.1 Ų53.122%0.22429%0.293CS..Hα-helixtrans-56.9-38.5-179.8-179.80000111.3S252 A256 L257 E258 M264S252-V254 VanDerWaalsContact C-N 3.35Å; S252-V254 PolarHBondContact O-N 3.23Å; V254-A256 PolarHBondContact O-N 2.93Å; V254-L257 PolarHBondContact O-N 3.5Å; V254-E258 HydrophobicContact CG1-CG 4.26Å; V254-E258 WeakPolarHBondContact O-CG 3.49Å; V254-E258 PolarHBondContact O-N 3.1Å; V254-M264 HydrophobicContact CG1-CE 3.95Å
255A93.3Very high93.8Very high66 Ų6655.9 Ų55.955%0.54531%0.305SS..Hα-helixtrans-63.7-41.4179.500000112D253 K259D253-A255 PolarHBondContact O-N 2.79Å; A255-K259 VanDerWaalsContact O-CB 3.31Å; A255-K259 WeakPolarHBondContact O-CB 3.48Å; A255-K259 PolarHBondContact O-N 3.49Å
256A94.9Very high93.6Very high27 Ų2755.2 Ų55.222%0.22331%0.305CS..Hα-helixtrans-67.6-38.7174.400000112.3I249 D253 V254 K259 N260I249-A256 HydrophobicContact CG2-CB 3.6Å; D253-A256 HydrophobicContact CB-CB 4.06Å; D253-A256 PolarHBondContact O-N 3.11Å; D253-A256 WeakPolarHBondContact OD1-CB 3.47Å; D253-A256 PolarHBondContact OD1-N 3.42Å; D253-A256 WeakPolarHBondContact OD2-CB 3.45Å; V254-A256 PolarHBondContact O-N 2.93Å; A256-K259 PolarHBondContact O-N 3.43Å; A256-N260 WeakPolarHBondContact O-CB 3.37Å; A256-N260 PolarHBondContact O-N 2.96Å
257L94.6Very high93.6Very high0 Ų053.3 Ų53.30%030%0.295CS..Hα-helixtrans-63.9-43.3175.8-69.5174.1000112.1I249 D253 V254 N260 G261 T262 M264 L267 V296 L419I249-L257 HydrophobicContact CB-CD2 3.73Å; I249-L257 HydrophobicContact CB-CG 4.41Å; I249-L257 HydrophobicContact CD1-CD2 3.99Å; I249-L257 HydrophobicContact CG1-CD2 4.43Å; I249-L257 HydrophobicContact CG2-CD2 3.64Å; I249-L257 HydrophobicContact CG2-CG 3.75Å; D253-L257 WeakPolarHBondContact O-CG 3.37Å; D253-L257 PolarHBondContact O-N 3.33Å; V254-L257 PolarHBondContact O-N 3.5Å; L257-N260 PolarHBondContact O-N 3.02Å; L257-G261 PolarHBondContact O-N 3.43Å; L257-T262 HydrophobicContact CD2-CG2 4.3Å; L257-T262 VanDerWaalsContact O-CB 3.29Å; L257-T262 WeakPolarHBondContact O-CB 3.37Å; L257-T262 PolarHBondContact O-N 3.28Å; L257-T262 PolarHBondContact O-OG1 3.47Å; L257-M264 HydrophobicContact CB-CE 3.33Å; L257-M264 HydrophobicContact CB-SD 4.09Å; L257-M264 HydrophobicContact CD1-CE 4.25Å; L257-M264 HydrophobicContact CD1-SD 4.37Å; L257-M264 HydrophobicContact CG-CE 4.43Å; L257-L267 HydrophobicContact CD1-CD2 4.3Å; L257-V296 HydrophobicContact CD2-CB 3.69Å; L257-V296 HydrophobicContact CD2-CG1 4.07Å; L257-V296 HydrophobicContact CD2-CG2 3.77Å; L257-L419 HydrophobicContact CD1-CD2 3.66Å
258E94.3Very high93.4Very high130 Ų13047.7 Ų47.761%0.60727%0.274SS*.Hα-helixtrans-63.1-43.8174.9-73.4179.4162.500111.1V254 N260 G261 M264V254-E258 HydrophobicContact CG1-CG 4.26Å; V254-E258 WeakPolarHBondContact O-CG 3.49Å; V254-E258 PolarHBondContact O-N 3.1Å; E258-N260 VanDerWaalsContact C-N 3.25Å; E258-N260 PolarHBondContact O-N 2.72Å; E258-G261 PolarHBondContact O-N 2.83Å; E258-M264 HydrophobicContact CB-CE 4.45Å; E258-M264 HydrophobicContact CG-CE 3.58Å
259K95.8Very high93.2Very high193 Ų19349.5 Ų49.584%0.83928%0.279SS*.Hα-helixtrans-62-33.7175.9-174.4-178.7177.9-174.80112.5A255 A256 G261A255-K259 VanDerWaalsContact O-CB 3.31Å; A255-K259 WeakPolarHBondContact O-CB 3.48Å; A255-K259 PolarHBondContact O-N 3.49Å; A256-K259 PolarHBondContact O-N 3.43Å; K259-G261 PolarHBondContact O-N 3.38Å
260N95.3Very high93.1Very high46 Ų4649.9 Ų49.925%0.24628%0.28CS..THydrogen-bonded Turntrans-73.5-9174.7-165.863.5000112.9I249 A256 L257 E258 T262 P301I249-N260 HydrophobicContact CD1-CB 3.54Å; A256-N260 WeakPolarHBondContact O-CB 3.37Å; A256-N260 PolarHBondContact O-N 2.96Å; L257-N260 PolarHBondContact O-N 3.02Å; E258-N260 VanDerWaalsContact C-N 3.25Å; E258-N260 PolarHBondContact O-N 2.72Å; N260-T262 VanDerWaalsContact C-N 3.27Å; N260-T262 PolarHBondContact ND2-OG1 3.38Å; N260-T262 PolarHBondContact O-N 3.09Å; N260-P301 VanDerWaalsContact O-CB 3.28Å; N260-P301 WeakPolarHBondContact O-CB 3.42Å
261G95.4Very high93Very high52 Ų5248.3 Ų48.354%0.53627%0.272SS..THydrogen-bonded Turntrans72.820.6-175.300000113.3L257 E258 K259 N263L257-G261 PolarHBondContact O-N 3.43Å; E258-G261 PolarHBondContact O-N 2.83Å; K259-G261 PolarHBondContact O-N 3.38Å; G261-N263 PolarHBondContact O-N 3.44Å
262T96.5Very high92.9Very high8 Ų848.4 Ų48.45%0.04927%0.273CS..  trans-60131.1-177-61.40000111.1L257 N260 M264 L267 V296 P301 P304L257-T262 HydrophobicContact CD2-CG2 4.3Å; L257-T262 VanDerWaalsContact O-CB 3.29Å; L257-T262 WeakPolarHBondContact O-CB 3.37Å; L257-T262 PolarHBondContact O-N 3.28Å; L257-T262 PolarHBondContact O-OG1 3.47Å; N260-T262 VanDerWaalsContact C-N 3.27Å; N260-T262 PolarHBondContact ND2-OG1 3.38Å; N260-T262 PolarHBondContact O-N 3.09Å; T262-M264 VanDerWaalsContact C-N 3.34Å; T262-M264 HydrophobicContact CG2-SD 4.46Å; T262-M264 PolarHBondContact O-N 3.4Å; T262-L267 HydrophobicContact CG2-CD2 3.95Å; T262-V296 HydrophobicContact CG2-CG1 4.27Å; T262-P301 CarbonylContact C-O 3.53Å; T262-P301 WeakPolarHBondContact CA-O 3.16Å; T262-P304 HydrophobicContact CG2-CB 3.71Å; T262-P304 HydrophobicContact CG2-CG 4.25Å
263N96Very high93.1Very high65 Ų6548.1 Ų48.135%0.34826%0.264SS..  trans-69.988.2175.7-176-16000110.6G261 K265 L266 L267 P301 P304G261-N263 PolarHBondContact O-N 3.44Å; N263-K265 VanDerWaalsContact C-N 3.28Å; N263-K265 PolarHBondContact O-N 3.49Å; N263-K265 PolarHBondContact OD1-N 2.86Å; N263-L266 HydrophobicContact CB-CB 4.21Å; N263-L266 PolarHBondContact O-N 3.41Å; N263-L266 PolarHBondContact OD1-N 3.35Å; N263-L266 VanDerWaalsContact OD1-N 3.12Å; N263-L267 WeakPolarHBondContact O-CB 3.46Å; N263-L267 PolarHBondContact O-N 3.44Å; N263-P301 PolarHBondContact N-O 2.83Å; N263-P304 HydrophobicContact CB-CG 4.39Å
264M94.7Very high93.2Very high28 Ų2844.8 Ų44.814%0.13825%0.247CC..Hα-helixtrans-59.5-36.2-174.4-64.4-58.9-155.700113.7V254 L257 E258 T262 L267 A268 L419V254-M264 HydrophobicContact CG1-CE 3.95Å; L257-M264 HydrophobicContact CB-CE 3.33Å; L257-M264 HydrophobicContact CB-SD 4.09Å; L257-M264 HydrophobicContact CD1-CE 4.25Å; L257-M264 HydrophobicContact CD1-SD 4.37Å; L257-M264 HydrophobicContact CG-CE 4.43Å; E258-M264 HydrophobicContact CB-CE 4.45Å; E258-M264 HydrophobicContact CG-CE 3.58Å; T262-M264 VanDerWaalsContact C-N 3.34Å; T262-M264 HydrophobicContact CG2-SD 4.46Å; T262-M264 PolarHBondContact O-N 3.4Å; M264-L267 HydrophobicContact SD-CD2 4.46Å; M264-A268 WeakPolarHBondContact O-CB 3.43Å; M264-A268 PolarHBondContact O-N 2.83Å; M264-L419 HydrophobicContact SD-CD2 4.02Å
265K93.1Very high93.2Very high101 Ų10143.3 Ų43.344%0.43924%0.237SC..Hα-helixtrans-64.6-52.5178178.7179.7172.7-1740110.7N263 L267 A268 E269 Y420N263-K265 VanDerWaalsContact C-N 3.28Å; N263-K265 PolarHBondContact O-N 3.49Å; N263-K265 PolarHBondContact OD1-N 2.86Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.2Å; K265-A268 PolarHBondContact O-N 3.2Å; K265-E269 WeakPolarHBondContact CE-OE1 3.4Å; K265-E269 WeakPolarHBondContact O-CG 3.27Å; K265-E269 PolarHBondContact O-N 3.2Å; K265-Y420 HydrophobicContact CB-CD1 4.39Å; K265-Y420 HydrophobicContact CB-CD2 4.12Å; K265-Y420 HydrophobicContact CB-CE1 4.42Å; K265-Y420 HydrophobicContact CB-CE2 4.12Å; K265-Y420 HydrophobicContact CB-CG 4.26Å; K265-Y420 HydrophobicContact CD-CE1 4.25Å; K265-Y420 HydrophobicContact CG-CD1 4.1Å; K265-Y420 HydrophobicContact CG-CE1 3.85Å; K265-Y420 HydrophobicContact CG-CE2 4.3Å; K265-Y420 HydrophobicContact CG-CG 4.47Å
266L94.2Very high92.8Very high42 Ų4240.6 Ų40.622%0.2221%0.213CC..Hα-helixtrans-65-36.2179.1-179.457000111.6N263 E269 R270N263-L266 HydrophobicContact CB-CB 4.21Å; N263-L266 PolarHBondContact O-N 3.41Å; N263-L266 PolarHBondContact OD1-N 3.35Å; N263-L266 VanDerWaalsContact OD1-N 3.12Å; L266-E269 PolarHBondContact O-N 2.83Å; L266-R270 HydrophobicContact CD1-CG 4.44Å; L266-R270 WeakPolarHBondContact O-CB 3.26Å; L266-R270 VanDerWaalsContact O-CG 3.31Å; L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 3.07Å
267L94.7Very high92.6Very high0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-59.4-49.7173.9-17662.6000110.9L257 T262 N263 M264 K265 E269 R270 G271 V296 P304 Y306 L419L257-L267 HydrophobicContact CD1-CD2 4.3Å; T262-L267 HydrophobicContact CG2-CD2 3.95Å; N263-L267 WeakPolarHBondContact O-CB 3.46Å; N263-L267 PolarHBondContact O-N 3.44Å; M264-L267 HydrophobicContact SD-CD2 4.46Å; K265-L267 VanDerWaalsContact C-N 3.3Å; K265-L267 PolarHBondContact O-N 3.2Å; L267-E269 PolarHBondContact O-N 2.9Å; L267-R270 WeakPolarHBondContact O-CB 3.45Å; L267-R270 PolarHBondContact O-N 3.39Å; L267-G271 PolarHBondContact O-N 3.3Å; L267-V296 HydrophobicContact CD1-CG1 4.14Å; L267-V296 HydrophobicContact CD1-CG2 4.03Å; L267-V296 HydrophobicContact CD2-CG1 4.39Å; L267-V296 HydrophobicContact CD2-CG2 3.86Å; L267-P304 HydrophobicContact CB-CB 4.37Å; L267-P304 HydrophobicContact CB-CG 3.73Å; L267-P304 HydrophobicContact CD1-CB 4.07Å; L267-P304 HydrophobicContact CD1-CG 4.17Å; L267-P304 HydrophobicContact CG-CG 4.5Å; L267-Y306 HydrophobicContact CD1-CD1 3.98Å; L267-Y306 HydrophobicContact CD1-CD2 4.03Å; L267-Y306 HydrophobicContact CD1-CE1 3.54Å; L267-Y306 HydrophobicContact CD1-CE2 3.55Å; L267-Y306 HydrophobicContact CD1-CG 4.24Å; L267-Y306 HydrophobicContact CG-CE1 4.09Å; L267-Y306 HydrophobicContact CG-CE2 4.26Å; L267-Y306 VanDerWaalsContact O-CE2 3.25Å; L267-Y306 WeakPolarHBondContact O-CE2 3.27Å; L267-Y306 PolarHBondContact O-OH 3.27Å; L267-L419 HydrophobicContact CD2-CD1 3.68Å; L267-L419 HydrophobicContact CD2-CD2 4.14Å; L267-L419 HydrophobicContact CG-CD1 3.85Å
268A91.5Very high92.5Very high3 Ų339.6 Ų39.63%0.02520%0.204CC..Hα-helixtrans-62.5-41.5178.400000112.4M264 K265 R270 G271 V272 L419 L423M264-A268 WeakPolarHBondContact O-CB 3.43Å; M264-A268 PolarHBondContact O-N 2.83Å; K265-A268 PolarHBondContact O-N 3.2Å; A268-R270 VanDerWaalsContact C-N 3.34Å; A268-R270 PolarHBondContact O-N 2.92Å; A268-G271 PolarHBondContact O-N 3.18Å; A268-V272 PolarHBondContact O-N 2.92Å; A268-L419 HydrophobicContact CB-CB 4.34Å; A268-L423 HydrophobicContact CB-CD1 4.33Å; A268-L423 HydrophobicContact CB-CD2 4.08Å
269E90.8Very high92.1Very high49 Ų4933.4 Ų33.423%0.22918%0.175CC..Hα-helixtrans-60.4-42.3173.4-71.4170.6-179.400111.8K265 L266 L267 G271 V272 Q273 L423 T428K265-E269 WeakPolarHBondContact CE-OE1 3.4Å; K265-E269 WeakPolarHBondContact O-CG 3.27Å; K265-E269 PolarHBondContact O-N 3.2Å; L266-E269 PolarHBondContact O-N 2.83Å; L267-E269 PolarHBondContact O-N 2.9Å; E269-G271 VanDerWaalsContact C-N 3.3Å; E269-G271 PolarHBondContact O-N 3.4Å; E269-V272 PolarHBondContact O-N 3.26Å; E269-Q273 WeakPolarHBondContact O-CG 3.26Å; E269-Q273 PolarHBondContact O-N 2.89Å; E269-L423 HydrophobicContact CG-CD1 3.72Å; E269-T428 HydrophobicContact CB-CG2 4.11Å; E269-T428 HydrophobicContact CG-CG2 4.19Å
270R92.1Very high91.7Very high13 Ų1324.2 Ų24.25%0.04914%0.135CC..Hα-helixtrans-61.3-36.5174.6-80.2179.2167.9-171.9-5.3112.7P224 M225 L266 L267 A268 V272 Q273 V274 N303 P304 Y306P224-R270 PolarHBondContact O-NH1 3.43Å; M225-R270 HydrophobicContact CB-CG 4.47Å; M225-R270 HydrophobicContact CG-CG 4.25Å; L266-R270 HydrophobicContact CD1-CG 4.44Å; L266-R270 WeakPolarHBondContact O-CB 3.26Å; L266-R270 VanDerWaalsContact O-CG 3.31Å; L266-R270 WeakPolarHBondContact O-CG 3.38Å; L266-R270 PolarHBondContact O-N 3.07Å; L267-R270 WeakPolarHBondContact O-CB 3.45Å; L267-R270 PolarHBondContact O-N 3.39Å; A268-R270 VanDerWaalsContact C-N 3.34Å; A268-R270 PolarHBondContact O-N 2.92Å; R270-V272 VanDerWaalsContact C-N 3.29Å; R270-V272 PolarHBondContact O-N 3.1Å; R270-Q273 PolarHBondContact O-N 3.38Å; R270-V274 WeakPolarHBondContact O-CB 3.4Å; R270-V274 VanDerWaalsContact O-CG2 3.24Å; R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 3.34Å; R270-N303 VanDerWaalsContact CZ-OD1 3.27Å; R270-N303 PolarHBondContact NH1-O 3.37Å; R270-N303 PolarHBondContact NH1-OD1 3.27Å; R270-N303 PolarHBondContact NH2-OD1 3.34Å; R270-P304 WeakPolarHBondContact CD-O 3.49Å; R270-P304 PolarHBondContact NH1-O 2.83Å; R270-Y306 HydrophobicContact CB-CD2 4.16Å; R270-Y306 HydrophobicContact CB-CE2 3.83Å
271G91.2Very high91.3Very high13 Ų1327.3 Ų27.313%0.13414%0.143CC..Hα-helixtrans-60.8-43.418000000111.1L267 A268 E269 F275L267-G271 PolarHBondContact O-N 3.3Å; A268-G271 PolarHBondContact O-N 3.18Å; E269-G271 VanDerWaalsContact C-N 3.3Å; E269-G271 PolarHBondContact O-N 3.4Å; G271-F275 PolarHBondContact O-N 3.36Å; G271-F275 VanDerWaalsContact O-N 3.14Å
272V87.5Confident91Very high4 Ų426.6 Ų26.62%0.02413%0.127CC..Hα-helixtrans-63.2-49.7173-178.40000110.5A268 E269 R270 V274 F275 F276 V412 L423 L425 T428 A429A268-V272 PolarHBondContact O-N 2.92Å; E269-V272 PolarHBondContact O-N 3.26Å; R270-V272 VanDerWaalsContact C-N 3.29Å; R270-V272 PolarHBondContact O-N 3.1Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.2Å; V272-F275 WeakPolarHBondContact O-CB 3.17Å; V272-F275 PolarHBondContact O-N 3.35Å; V272-F276 HydrophobicContact CG1-CD2 3.6Å; V272-F276 HydrophobicContact CG1-CE2 3.65Å; V272-F276 VanDerWaalsContact O-CD2 3.29Å; V272-F276 WeakPolarHBondContact O-CD2 3.5Å; V272-F276 PolarHBondContact O-N 3Å; V272-V412 HydrophobicContact CG2-CG1 4.4Å; V272-L423 HydrophobicContact CG2-CD2 3.79Å; V272-L425 HydrophobicContact CG2-CD2 3.46Å; V272-L425 VanDerWaalsContact CG2-CD2 3.46Å; V272-T428 HydrophobicContact CB-CG2 3.88Å; V272-T428 HydrophobicContact CG1-CG2 3.94Å; V272-T428 HydrophobicContact CG2-CG2 4.35Å; V272-A429 HydrophobicContact CG1-CB 4.07Å
273Q89.5Confident90.7Very high62 Ų6227.3 Ų27.329%0.2913%0.133SC..Hα-helixtrans-59.2-43.6-179.5-69.4169.78.700112.6M225 E269 R270 F275 F276 T277M225-Q273 HydrophobicContact SD-CB 3.86Å; M225-Q273 PolarHBondContact SD-OE1 3.15Å; M225-Q273 VanDerWaalsContact SD-OE1 3.37Å; E269-Q273 WeakPolarHBondContact O-CG 3.26Å; E269-Q273 PolarHBondContact O-N 2.89Å; R270-Q273 PolarHBondContact O-N 3.38Å; Q273-F275 VanDerWaalsContact C-N 3.34Å; Q273-F275 PolarHBondContact O-N 3.45Å; Q273-F276 PolarHBondContact O-N 2.87Å; Q273-T277 WeakPolarHBondContact O-CB 3.33Å; Q273-T277 PolarHBondContact O-N 3.23Å; Q273-T277 PolarHBondContact O-OG1 2.98Å
274V92.2Very high90.6Very high2 Ų225.8 Ų25.81%0.01212%0.123CC..Hα-helixtrans-62.1-42.3177.7165.90000111F220 M225 L226 R270 V272 Q278 M289F220-V274 HydrophobicContact CZ-CG1 4.48Å; M225-V274 HydrophobicContact CB-CG2 3.64Å; L226-V274 HydrophobicContact CB-CG1 4.14Å; L226-V274 HydrophobicContact CB-CG2 3.88Å; L226-V274 HydrophobicContact CD2-CG1 3.66Å; L226-V274 HydrophobicContact CG-CG1 4.35Å; R270-V274 WeakPolarHBondContact O-CB 3.4Å; R270-V274 VanDerWaalsContact O-CG2 3.24Å; R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 3.34Å; V272-V274 VanDerWaalsContact C-N 3.35Å; V272-V274 PolarHBondContact O-N 3.2Å; V274-Q278 WeakPolarHBondContact O-CG 3.28Å; V274-Q278 PolarHBondContact O-N 3.13Å; V274-Q278 PolarHBondContact O-NE2 3.2Å; V274-M289 HydrophobicContact CG1-CE 4.35Å
275F88.6Confident90.4Very high5 Ų524.5 Ų24.52%0.02212%0.117CC..Hα-helixtrans-60.9-55.4175.4172.6-100.1000111.6G271 V272 Q273 T277 Q278 V279 L405 T408 L409 V412G271-F275 PolarHBondContact O-N 3.36Å; G271-F275 VanDerWaalsContact O-N 3.14Å; V272-F275 WeakPolarHBondContact O-CB 3.17Å; V272-F275 PolarHBondContact O-N 3.35Å; Q273-F275 VanDerWaalsContact C-N 3.34Å; Q273-F275 PolarHBondContact O-N 3.45Å; F275-T277 VanDerWaalsContact C-N 3.27Å; F275-T277 PolarHBondContact O-N 3.3Å; F275-Q278 PolarHBondContact O-N 3.21Å; F275-V279 HydrophobicContact CD2-CG2 4.29Å; F275-V279 HydrophobicContact CE1-CG2 4.33Å; F275-V279 HydrophobicContact CE2-CG2 4Å; F275-V279 HydrophobicContact CZ-CG2 4.02Å; F275-V279 VanDerWaalsContact O-CG2 3.23Å; F275-V279 WeakPolarHBondContact O-CG2 3.38Å; F275-V279 PolarHBondContact O-N 3.16Å; F275-V279 VanDerWaalsContact O-N 3.11Å; F275-L405 HydrophobicContact CE2-CD1 3.63Å; F275-L405 HydrophobicContact CE2-CG 4.5Å; F275-L405 HydrophobicContact CZ-CD1 3.65Å; F275-L405 HydrophobicContact CZ-CG 4.2Å; F275-T408 HydrophobicContact CD2-CG2 3.71Å; F275-T408 HydrophobicContact CE2-CG2 3.83Å; F275-L409 HydrophobicContact CD1-CD1 4.39Å; F275-L409 HydrophobicContact CE1-CD1 3.89Å; F275-L409 HydrophobicContact CE2-CB 4.38Å; F275-L409 HydrophobicContact CZ-CB 4.09Å; F275-L409 HydrophobicContact CZ-CD1 4.07Å; F275-V412 HydrophobicContact CB-CG2 3.99Å; F275-V412 HydrophobicContact CD2-CG2 4.14Å; F275-V412 HydrophobicContact CG-CG2 4.24Å
276F86.6Confident90.3Very high9 Ų919.8 Ų19.84%0.03910%0.096CC..Hα-helixtrans-62.7-35.6-179-82.2-82.1000112.2V272 Q273 V279 F280 F329 A429 F432 L433V272-F276 HydrophobicContact CG1-CD2 3.6Å; V272-F276 HydrophobicContact CG1-CE2 3.65Å; V272-F276 VanDerWaalsContact O-CD2 3.29Å; V272-F276 WeakPolarHBondContact O-CD2 3.5Å; V272-F276 PolarHBondContact O-N 3Å; Q273-F276 PolarHBondContact O-N 2.87Å; F276-V279 PolarHBondContact O-N 3.36Å; F276-F280 HydrophobicContact CB-CD2 4.35Å; F276-F280 AromaticContact CD1-CD2 3.61Å; F276-F280 HydrophobicContact CD1-CD2 3.61Å; F276-F280 AromaticContact CD1-CE2 3.36Å; F276-F280 HydrophobicContact CD1-CE2 3.36Å; F276-F280 HydrophobicContact CE1-CD2 4.4Å; F276-F280 AromaticContact CE1-CE2 3.72Å; F276-F280 HydrophobicContact CE1-CE2 3.72Å; F276-F280 HydrophobicContact CG-CD2 4.45Å; F276-F280 HydrophobicContact CG-CE2 4.46Å; F276-F280 WeakPolarHBondContact O-CB 3.31Å; F276-F280 WeakPolarHBondContact O-CD2 3.35Å; F276-F280 PolarHBondContact O-N 3.38Å; F276-F329 HydrophobicContact CE1-CD1 4.43Å; F276-F329 HydrophobicContact CE1-CE1 4.41Å; F276-F329 HydrophobicContact CZ-CE1 4.34Å; F276-A429 HydrophobicContact CD2-CB 3.91Å; F276-A429 HydrophobicContact CE1-CB 4.27Å; F276-A429 HydrophobicContact CE2-CB 3.27Å; F276-A429 HydrophobicContact CZ-CB 3.5Å; F276-F432 HydrophobicContact CB-CD1 3.47Å; F276-F432 VanDerWaalsContact CB-CD1 3.47Å; F276-F432 HydrophobicContact CB-CE1 3.6Å; F276-F432 HydrophobicContact CB-CG 4.07Å; F276-F432 HydrophobicContact CB-CZ 4.3Å; F276-F432 HydrophobicContact CD1-CD1 4.35Å; F276-F432 HydrophobicContact CG-CD1 4.19Å; F276-F432 WeakPolarHBondContact O-CE1 3.44Å; F276-L433 HydrophobicContact CD1-CD1 4.26Å; F276-L433 HydrophobicContact CD1-CD2 3.77Å; F276-L433 HydrophobicContact CD1-CG 3.9Å; F276-L433 HydrophobicContact CE1-CD1 3.71Å; F276-L433 HydrophobicContact CE1-CD2 3.87Å; F276-L433 HydrophobicContact CE1-CG 3.87Å; F276-L433 HydrophobicContact CZ-CD1 4.42Å
277T89.6Confident89.8Confident5 Ų517.8 Ų17.83%0.0319%0.086CC..Iπ-helixtrans-60.8-51.1175.4-61.70000111.6F220 Q273 F275 V279 R281 D282 F432F220-T277 HydrophobicContact CE1-CG2 3.88Å; F220-T277 HydrophobicContact CZ-CG2 3.72Å; Q273-T277 WeakPolarHBondContact O-CB 3.33Å; Q273-T277 PolarHBondContact O-N 3.23Å; Q273-T277 PolarHBondContact O-OG1 2.98Å; F275-T277 VanDerWaalsContact C-N 3.27Å; F275-T277 PolarHBondContact O-N 3.3Å; T277-V279 VanDerWaalsContact C-N 3.31Å; T277-V279 PolarHBondContact O-N 3.24Å; T277-R281 HydrophobicContact CG2-CB 4.09Å; T277-R281 VanDerWaalsContact CG2-NE 3.34Å; T277-R281 WeakPolarHBondContact O-CA 3.21Å; T277-R281 WeakPolarHBondContact O-CB 3.39Å; T277-R281 PolarHBondContact O-N 3.46Å; T277-D282 PolarHBondContact O-N 3.14Å; T277-D282 VanDerWaalsContact O-N 3.09Å; T277-F432 WeakPolarHBondContact OG1-CE2 3.42Å
278Q92.2Very high89.2Confident1 Ų119 Ų191%0.0059%0.092CC..Iπ-helixtrans-59-42.6178-76.3176.990.300112.6F220 V274 F275 S283 F284 F285 M289F220-Q278 HydrophobicContact CE2-CG 3.54Å; F220-Q278 HydrophobicContact CZ-CG 3.65Å; V274-Q278 WeakPolarHBondContact O-CG 3.28Å; V274-Q278 PolarHBondContact O-N 3.13Å; V274-Q278 PolarHBondContact O-NE2 3.2Å; F275-Q278 PolarHBondContact O-N 3.21Å; Q278-S283 PolarHBondContact O-N 3.27Å; Q278-F284 PolarHBondContact O-N 3.13Å; Q278-F284 VanDerWaalsContact O-N 3.07Å; Q278-F285 HydrophobicContact CB-CB 3.69Å; Q278-M289 PolarHBondContact NE2-SD 3.32Å; Q278-M289 VanDerWaalsContact NE2-SD 3.42Å
279V87.3Confident88.9Confident0 Ų019.7 Ų19.70%010%0.095CC..Iπ-helixtrans-72.2-51.1-175.2175.30000111.5F275 F276 T277 S283 F285 L317 L405F275-V279 HydrophobicContact CD2-CG2 4.29Å; F275-V279 HydrophobicContact CE1-CG2 4.33Å; F275-V279 HydrophobicContact CE2-CG2 4Å; F275-V279 HydrophobicContact CZ-CG2 4.02Å; F275-V279 VanDerWaalsContact O-CG2 3.23Å; F275-V279 WeakPolarHBondContact O-CG2 3.38Å; F275-V279 PolarHBondContact O-N 3.16Å; F275-V279 VanDerWaalsContact O-N 3.11Å; F276-V279 PolarHBondContact O-N 3.36Å; T277-V279 VanDerWaalsContact C-N 3.31Å; T277-V279 PolarHBondContact O-N 3.24Å; V279-S283 WeakPolarHBondContact O-CA 3.49Å; V279-S283 PolarHBondContact O-N 2.61Å; V279-F285 HydrophobicContact CG2-CB 4.41Å; V279-L317 HydrophobicContact CG1-CD1 3.64Å; V279-L405 HydrophobicContact CG1-CD1 4.36Å; V279-L405 HydrophobicContact CG1-CD2 4.41Å; V279-L405 HydrophobicContact CG2-CD1 3.45Å; V279-L405 VanDerWaalsContact CG2-CD1 3.45Å
280F86Confident88.4Confident0 Ų019.9 Ų19.90%010%0.096CC..Iπ-helixtrans-100.8-38.3-170.7-63.6-74.4000113.5F276 K322 L325 A326 F329 F432 L433 W436F276-F280 HydrophobicContact CB-CD2 4.35Å; F276-F280 AromaticContact CD1-CD2 3.61Å; F276-F280 HydrophobicContact CD1-CD2 3.61Å; F276-F280 AromaticContact CD1-CE2 3.36Å; F276-F280 HydrophobicContact CD1-CE2 3.36Å; F276-F280 HydrophobicContact CE1-CD2 4.4Å; F276-F280 AromaticContact CE1-CE2 3.72Å; F276-F280 HydrophobicContact CE1-CE2 3.72Å; F276-F280 HydrophobicContact CG-CD2 4.45Å; F276-F280 HydrophobicContact CG-CE2 4.46Å; F276-F280 WeakPolarHBondContact O-CB 3.31Å; F276-F280 WeakPolarHBondContact O-CD2 3.35Å; F276-F280 PolarHBondContact O-N 3.38Å; F280-K322 WeakPolarHBondContact O-CE 3.47Å; F280-K322 PolarHBondContact O-NZ 3.31Å; F280-L325 HydrophobicContact CE1-CB 3.97Å; F280-L325 HydrophobicContact CZ-CB 4.19Å; F280-A326 HydrophobicContact CD1-CB 3.99Å; F280-A326 HydrophobicContact CE1-CB 3.68Å; F280-F329 HydrophobicContact CE1-CD2 4.49Å; F280-F329 HydrophobicContact CE2-CD2 4.22Å; F280-F329 HydrophobicContact CE2-CE2 4.26Å; F280-F329 AromaticContact CZ-CD2 3.53Å; F280-F329 HydrophobicContact CZ-CD2 3.53Å; F280-F329 AromaticContact CZ-CE2 3.73Å; F280-F329 HydrophobicContact CZ-CE2 3.73Å; F280-F432 HydrophobicContact CB-CE1 4.15Å; F280-F432 HydrophobicContact CD2-CE1 4.44Å; F280-L433 HydrophobicContact CD1-CD2 4.37Å; F280-L433 HydrophobicContact CD2-CD2 3.71Å; F280-L433 HydrophobicContact CE1-CD2 4.2Å; F280-L433 HydrophobicContact CE2-CD2 3.51Å; F280-L433 HydrophobicContact CG-CD2 4.16Å; F280-L433 HydrophobicContact CZ-CD2 3.77Å; F280-W436 VanDerWaalsContact C-NE1 3.35Å; F280-W436 HydrophobicContact CB-CD2 4Å; F280-W436 HydrophobicContact CB-CG 3.94Å; F280-W436 HydrophobicContact CD1-CD2 4.36Å; F280-W436 HydrophobicContact CD1-CE3 4.39Å; F280-W436 HydrophobicContact CD1-CH2 4.49Å; F280-W436 HydrophobicContact CD1-CZ2 4.42Å; F280-W436 HydrophobicContact CD1-CZ3 4.5Å; F280-W436 HydrophobicContact CG-CD2 4.5Å; F280-W436 PolarHBondContact O-NE1 2.79Å
281R87.1Confident87.8Confident112 Ų11221 Ų2142%0.42311%0.105SC..Iπ-helixtrans-73-55.1175.8-169.9-168.565.1-173.2-4.7108.9N219 T277 K322N219-R281 PolarHBondContact O-NH2 3.14Å; T277-R281 HydrophobicContact CG2-CB 4.09Å; T277-R281 VanDerWaalsContact CG2-NE 3.34Å; T277-R281 WeakPolarHBondContact O-CA 3.21Å; T277-R281 WeakPolarHBondContact O-CB 3.39Å; T277-R281 PolarHBondContact O-N 3.46Å; R281-K322 PolarHBondContact O-NZ 3.37Å
282D90.3Very high87.2Confident37 Ų3722.4 Ų22.420%0.19812%0.119CC..SBendtrans-91.8-19.4-166.1-55.5-32000114.3N219 T277 F284N219-D282 HydrophobicContact CB-CB 4.45Å; N219-D282 WeakPolarHBondContact ND2-CB 3.44Å; T277-D282 PolarHBondContact O-N 3.14Å; T277-D282 VanDerWaalsContact O-N 3.09Å; D282-F284 PolarHBondContact O-N 3.1Å
283S90.4Very high87.3Confident23 Ų2322.9 Ų22.916%0.16112%0.121CC..SBendtrans54.122.8-172.2-73.80000113.2Q278 V279 S316 L317 K322Q278-S283 PolarHBondContact O-N 3.27Å; V279-S283 WeakPolarHBondContact O-CA 3.49Å; V279-S283 PolarHBondContact O-N 2.61Å; S283-S316 WeakPolarHBondContact O-CA 3.48Å; S283-L317 PolarHBondContact O-N 2.81Å; S283-K322 VanDerWaalsContact OG-CD 3.24Å; S283-K322 WeakPolarHBondContact OG-CD 3.31Å; S283-K322 WeakPolarHBondContact OG-CE 3.3Å; S283-K322 PolarHBondContact OG-NZ 3Å
284F92.1Very high87.4Confident33 Ų3320.4 Ų20.415%0.14511%0.11CC..EExtended strand (participates in β ladder)trans-147.8114.8-175.1-169.9-109.3000108.3N212 Q215 L216 Q278 D282 V314 G315N212-F284 HydrophobicContact CB-CZ 4.48Å; Q215-F284 HydrophobicContact CB-CD1 4.31Å; Q215-F284 HydrophobicContact CB-CE1 3.74Å; Q215-F284 HydrophobicContact CB-CZ 4.31Å; Q215-F284 HydrophobicContact CG-CD1 3.55Å; Q215-F284 HydrophobicContact CG-CE1 3.45Å; Q215-F284 VanDerWaalsContact CG-CE1 3.45Å; Q215-F284 HydrophobicContact CG-CG 4.23Å; Q215-F284 HydrophobicContact CG-CZ 4.1Å; L216-F284 HydrophobicContact CD2-CD1 3.81Å; L216-F284 HydrophobicContact CD2-CE1 4.12Å; L216-F284 HydrophobicContact CG-CD1 3.98Å; L216-F284 HydrophobicContact CG-CE1 3.77Å; Q278-F284 PolarHBondContact O-N 3.13Å; Q278-F284 VanDerWaalsContact O-N 3.07Å; D282-F284 PolarHBondContact O-N 3.1Å; F284-V314 HydrophobicContact CE1-CB 4.4Å; F284-V314 HydrophobicContact CE1-CG1 4.24Å; F284-V314 HydrophobicContact CE2-CB 3.97Å; F284-V314 HydrophobicContact CE2-CG2 3.63Å; F284-V314 HydrophobicContact CZ-CB 3.8Å; F284-V314 HydrophobicContact CZ-CG1 3.97Å; F284-V314 HydrophobicContact CZ-CG2 3.58Å; F284-G315 WeakPolarHBondContact CA-O 3.29Å
285F91.1Very high87.5Confident1 Ų122.3 Ų22.30%0.00412%0.118CC..EExtended strand (participates in β ladder)trans-132.2144-170.163.7-89.3000112.1Q278 V279 A287 V314 G315 L317 L405Q278-F285 HydrophobicContact CB-CB 3.69Å; V279-F285 HydrophobicContact CG2-CB 4.41Å; F285-A287 HydrophobicContact CD2-CB 4.27Å; F285-A287 HydrophobicContact CE2-CB 4.01Å; F285-A287 PolarHBondContact O-N 3.35Å; F285-V314 CarbonylContact O-C 3.51Å; F285-V314 VanDerWaalsContact O-CA 3.27Å; F285-V314 WeakPolarHBondContact O-CA 3.36Å; F285-G315 WeakPolarHBondContact CD1-O 3.37Å; F285-G315 PolarHBondContact N-O 2.89Å; F285-G315 PolarHBondContact O-N 3.24Å; F285-L317 HydrophobicContact CE1-CD2 4.35Å; F285-L317 HydrophobicContact CE1-CG 4.07Å; F285-L405 HydrophobicContact CD2-CD1 4.29Å; F285-L405 HydrophobicContact CE1-CD1 4.33Å; F285-L405 HydrophobicContact CE2-CB 4.34Å; F285-L405 HydrophobicContact CE2-CD1 4.11Å; F285-L405 HydrophobicContact CG-CD1 4.49Å; F285-L405 HydrophobicContact CZ-CB 4.1Å; F285-L405 HydrophobicContact CZ-CD1 4.12Å
286H91.5Very high87.9Confident2 Ų222.1 Ų22.11%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-71.8112.1170.8-170.8-52.2000109.6L216 D288 M289 I309 D310L216-H286 HydrophobicContact CD1-CB 3.96Å; H286-D288 VanDerWaalsContact C-N 3.31Å; H286-D288 PolarHBondContact CE1-O 2.9Å; H286-D288 VanDerWaalsContact ND1-C 3.3Å; H286-D288 PolarHBondContact ND1-N 3.33Å; H286-D288 VanDerWaalsContact ND1-N 3.14Å; H286-D288 PolarHBondContact O-N 3.45Å; H286-M289 HydrophobicContact CB-CG 3.54Å; H286-M289 HydrophobicContact CB-SD 3.96Å; H286-M289 VanDerWaalsContact CG-CG 3.44Å; H286-M289 WeakPolarHBondContact ND1-CG 3.21Å; H286-M289 PolarHBondContact ND1-N 3.41Å; H286-I309 PolarHBondContact NE2-O 2.97Å; H286-I309 VanDerWaalsContact NE2-O 3.16Å; H286-D310 PolarHBondContact CE1-O 2.85Å; H286-D310 VanDerWaalsContact CE1-O 3.27Å; H286-D310 PolarHBondContact NE2-O 3.4Å
287A84Confident88.3Confident0 Ų022.4 Ų22.40%012%0.121CC..THydrogen-bonded Turntrans-85.4-3.1-172.600000113.7F285 I313 L404 T408F285-A287 HydrophobicContact CD2-CB 4.27Å; F285-A287 HydrophobicContact CE2-CB 4.01Å; F285-A287 PolarHBondContact O-N 3.35Å; A287-I313 HydrophobicContact CB-CB 4.32Å; A287-I313 HydrophobicContact CB-CG2 3.78Å; A287-I313 WeakPolarHBondContact CB-O 3.36Å; A287-I313 PolarHBondContact N-O 3.28Å; A287-L404 HydrophobicContact CB-CB 4.35Å; A287-T408 WeakPolarHBondContact CA-OG1 3.33Å; A287-T408 PolarHBondContact O-OG1 3.49Å
288D82.6Confident88.5Confident26 Ų2627.4 Ų27.414%0.13914%0.14CC..THydrogen-bonded Turntrans-128.839.6178.9-151.935000114.1H286 H290 N293 I313 K407H286-D288 VanDerWaalsContact C-N 3.31Å; H286-D288 PolarHBondContact CE1-O 2.9Å; H286-D288 VanDerWaalsContact ND1-C 3.3Å; H286-D288 PolarHBondContact ND1-N 3.33Å; H286-D288 VanDerWaalsContact ND1-N 3.14Å; H286-D288 PolarHBondContact O-N 3.45Å; D288-H290 PolarHBondContact O-CD2 2.88Å; D288-H290 PolarHBondContact O-N 3.29Å; D288-H290 IonicContact OD1-CD2 2.62Å; D288-H290 IonicContact OD2-CD2 2.9Å; D288-H290 IonicContact OD2-NE2 3.89Å; D288-N293 PolarHBondContact O-ND2 3.46Å; D288-N293 VanDerWaalsContact O-ND2 3.13Å; D288-I313 HydrophobicContact CB-CB 4.29Å; D288-I313 HydrophobicContact CB-CD1 4.32Å; D288-K407 IonicContact OD1-NZ 3.56Å; D288-K407 PolarHBondContact OD1-NZ 3.03Å
289M84.4Confident88.4Confident17 Ų1734.5 Ų34.58%0.08417%0.173CC..  trans-74.659.3174.5-72.1-166.570.200111.5L226 V274 Q278 H286 I294 Y411L226-M289 HydrophobicContact CD1-CE 4.44Å; V274-M289 HydrophobicContact CG1-CE 4.35Å; Q278-M289 PolarHBondContact NE2-SD 3.32Å; Q278-M289 VanDerWaalsContact NE2-SD 3.42Å; H286-M289 HydrophobicContact CB-CG 3.54Å; H286-M289 HydrophobicContact CB-SD 3.96Å; H286-M289 VanDerWaalsContact CG-CG 3.44Å; H286-M289 WeakPolarHBondContact ND1-CG 3.21Å; H286-M289 PolarHBondContact ND1-N 3.41Å; M289-I294 HydrophobicContact CB-CD1 4.05Å; M289-I294 HydrophobicContact CB-CG1 4.35Å; M289-I294 HydrophobicContact CE-CD1 4.18Å; M289-I294 HydrophobicContact CE-CG1 4.1Å; M289-I294 WeakPolarHBondContact O-CD1 3.43Å; M289-Y411 WeakPolarHBondContact O-CB 3.42Å
290H80.4Confident88.6Confident53 Ų5339.3 Ų39.325%0.24520%0.195CC..  trans-86.2166.2174.173.789.7000110.8D288 G292 N293 I294 Y411D288-H290 PolarHBondContact O-CD2 2.88Å; D288-H290 PolarHBondContact O-N 3.29Å; D288-H290 IonicContact OD1-CD2 2.62Å; D288-H290 IonicContact OD2-CD2 2.9Å; D288-H290 IonicContact OD2-NE2 3.89Å; H290-G292 PolarHBondContact ND1-N 2.95Å; H290-G292 PolarHBondContact O-N 3.27Å; H290-N293 PolarHBondContact CD2-ND2 3.49Å; H290-N293 PolarHBondContact NE2-ND2 3.02Å; H290-N293 VanDerWaalsContact NE2-ND2 3.15Å; H290-N293 PolarHBondContact O-N 3.47Å; H290-I294 PolarHBondContact O-N 3.11Å; H290-Y411 HydrophobicContact CB-CD1 3.89Å; H290-Y411 HydrophobicContact CB-CD2 3.78Å; H290-Y411 HydrophobicContact CB-CE1 3.78Å; H290-Y411 HydrophobicContact CB-CE2 3.64Å; H290-Y411 HydrophobicContact CB-CG 3.91Å
291P79.3Confident88.9Confident37 Ų3740.7 Ų40.724%0.2420%0.204CC..THydrogen-bonded Turntrans-58.2-12.9-175.5-26.533.5000116.8V251 V415V251-P291 HydrophobicContact CG1-CB 3.81Å; P291-V415 HydrophobicContact CG-CG2 3.81Å
292G79.7Confident89.3Confident42 Ų4240.7 Ų40.743%0.43321%0.209SC..THydrogen-bonded Turntrans-85.7-20175.800000113.7H290H290-G292 PolarHBondContact ND1-N 2.95Å; H290-G292 PolarHBondContact O-N 3.27Å
293N88.1Confident89.5Confident13 Ų1342.2 Ų42.27%0.0722%0.217CC..SBendtrans-106.47-178.7-71.1-11.3000112.6D288 H290 I309D288-N293 PolarHBondContact O-ND2 3.46Å; D288-N293 VanDerWaalsContact O-ND2 3.13Å; H290-N293 PolarHBondContact CD2-ND2 3.49Å; H290-N293 PolarHBondContact NE2-ND2 3.02Å; H290-N293 VanDerWaalsContact NE2-ND2 3.15Å; H290-N293 PolarHBondContact O-N 3.47Å; N293-I309 HydrophobicContact CB-CG1 4.24Å; N293-I309 WeakPolarHBondContact CB-O 3.31Å; N293-I309 PolarHBondContact O-N 3.4Å
294I91.7Very high89.7Confident10 Ų1041.1 Ų41.15%0.05121%0.209CC..EExtended strand (participates in β ladder)trans-123.6128.1-178.5-56.9164000110V251 M289 H290 Y306 I307V251-I294 HydrophobicContact CB-CB 4.23Å; V251-I294 HydrophobicContact CB-CG2 3.99Å; V251-I294 HydrophobicContact CG1-CB 3.84Å; V251-I294 HydrophobicContact CG1-CG2 4.11Å; V251-I294 HydrophobicContact CG2-CG2 4.4Å; V251-I294 PolarHBondContact N-O 3.02Å; M289-I294 HydrophobicContact CB-CD1 4.05Å; M289-I294 HydrophobicContact CB-CG1 4.35Å; M289-I294 HydrophobicContact CE-CD1 4.18Å; M289-I294 HydrophobicContact CE-CG1 4.1Å; M289-I294 WeakPolarHBondContact O-CD1 3.43Å; H290-I294 PolarHBondContact O-N 3.11Å; I294-Y306 HydrophobicContact CG2-CD1 3.37Å; I294-Y306 HydrophobicContact CG2-CE1 3.84Å; I294-Y306 HydrophobicContact CG2-CG 4.36Å; I294-I307 WeakPolarHBondContact CA-O 3.32Å
295F94.8Very high89.9Confident43 Ų4342.3 Ų42.319%0.18921%0.214CC..EExtended strand (participates in β ladder)trans-121.5168.2172.8-59-102.3000110I246 I249 P250 Y306 I307 I309I246-F295 HydrophobicContact CD1-CD2 4.09Å; I246-F295 HydrophobicContact CD1-CG 4.34Å; I249-F295 CarbonylContact O-C 3.43Å; I249-F295 WeakPolarHBondContact O-CA 3.39Å; P250-F295 HydrophobicContact CB-CD1 4.4Å; P250-F295 HydrophobicContact CB-CE1 4.33Å; P250-F295 HydrophobicContact CG-CD1 4.16Å; P250-F295 HydrophobicContact CG-CE1 3.95Å; F295-Y306 CarbonylContact O-C 3.54Å; F295-Y306 WeakPolarHBondContact O-CA 3.06Å; F295-I307 HydrophobicContact CB-CB 4.21Å; F295-I307 PolarHBondContact N-O 3.33Å; F295-I307 PolarHBondContact O-N 2.9Å; F295-I309 HydrophobicContact CD2-CD1 4.37Å; F295-I309 HydrophobicContact CD2-CG1 4.36Å; F295-I309 HydrophobicContact CD2-CG2 4.47Å; F295-I309 HydrophobicContact CE2-CD1 3.47Å; F295-I309 VanDerWaalsContact CE2-CD1 3.47Å; F295-I309 HydrophobicContact CE2-CG1 3.84Å; F295-I309 HydrophobicContact CZ-CD1 4.17Å
296V96.7Very high90.2Very high0 Ų042.7 Ų42.70%022%0.216CC..EExtended strand (participates in β ladder)trans-124.1133.6174.9-174.30000108.5G248 I249 V251 L257 T262 L267 P304 K305 Y306G248-V296 CarbonylContact C-O 3.6Å; G248-V296 WeakPolarHBondContact CA-O 3.36Å; I249-V296 PolarHBondContact N-O 2.95Å; I249-V296 PolarHBondContact O-N 2.79Å; V251-V296 HydrophobicContact CG2-CG2 4.46Å; L257-V296 HydrophobicContact CD2-CB 3.69Å; L257-V296 HydrophobicContact CD2-CG1 4.07Å; L257-V296 HydrophobicContact CD2-CG2 3.77Å; T262-V296 HydrophobicContact CG2-CG1 4.27Å; L267-V296 HydrophobicContact CD1-CG1 4.14Å; L267-V296 HydrophobicContact CD1-CG2 4.03Å; L267-V296 HydrophobicContact CD2-CG1 4.39Å; L267-V296 HydrophobicContact CD2-CG2 3.86Å; V296-P304 HydrophobicContact CG1-CB 4.15Å; V296-K305 WeakPolarHBondContact CA-O 3.4Å; V296-Y306 HydrophobicContact CG2-CD1 4.33Å; V296-Y306 HydrophobicContact CG2-CE1 4.43Å
297S95.5Very high90.4Very high15 Ų1543 Ų4311%0.10522%0.218CC..  trans-63.6145.9177.3178.90000111.9E299 K305S297-E299 PolarHBondContact OG-N 3.49Å; S297-K305 PolarHBondContact N-O 2.91Å
298Y93.7Very high90.9Very high111 Ų11143.1 Ų43.144%0.43522%0.218SC..SBendtrans-77.4-24.6174.6-61.6-82.9000113.4G248 I249 H300G248-Y298 VanDerWaalsContact C-OH 3.27Å; G248-Y298 PolarHBondContact O-OH 3.27Å; I249-Y298 HydrophobicContact CB-CE1 4.46Å; I249-Y298 HydrophobicContact CD1-CD1 3.79Å; I249-Y298 HydrophobicContact CD1-CE1 3.71Å; I249-Y298 HydrophobicContact CG1-CD1 3.65Å; I249-Y298 HydrophobicContact CG1-CE1 3.12Å; Y298-H300 PolarHBondContact O-N 2.96Å
299E89.7Confident91.5Very high150 Ų15044 Ų4470%0.70122%0.223SC*.SBendtrans-70.4-36.8-159.8-63.9175.4162.200114.1S297S297-E299 PolarHBondContact OG-N 3.49Å
300H92.5Very high91.6Very high100 Ų10045.6 Ų45.646%0.46323%0.232SC..  trans-132.871-172.3-60.7-57.9000110.8Y298 E302 N303 P304Y298-H300 PolarHBondContact O-N 2.96Å; H300-E302 IonicContact ND1-OE1 3.85Å; H300-E302 PolarHBondContact O-N 3.36Å; H300-N303 HydrophobicContact CB-CB 4.2Å; H300-N303 CarbonylContact O-C 3.51Å; H300-N303 WeakPolarHBondContact O-CA 3.38Å; H300-N303 PolarHBondContact O-N 3.23Å; H300-P304 WeakPolarHBondContact O-CA 3.45Å
301P92.4Very high92Very high30 Ų3043.2 Ų43.220%0.19522%0.221CC..THydrogen-bonded Turntrans-57.6-34.9-17821.1-31.4000113.1N260 T262 N263 N303N260-P301 VanDerWaalsContact O-CB 3.28Å; N260-P301 WeakPolarHBondContact O-CB 3.42Å; T262-P301 CarbonylContact C-O 3.53Å; T262-P301 WeakPolarHBondContact CA-O 3.16Å; N263-P301 PolarHBondContact N-O 2.83Å; P301-N303 VanDerWaalsContact C-N 3.26Å; P301-N303 PolarHBondContact O-N 2.82Å
302E94.6Very high92.2Very high112 Ų11242.9 Ų42.952%0.52322%0.224SC..THydrogen-bonded Turntrans-68.3-25.5175.673.2-67.5162.400113.3H300H300-E302 IonicContact ND1-OE1 3.85Å; H300-E302 PolarHBondContact O-N 3.36Å
303N94.6Very high92.3Very high68 Ų6843.2 Ų43.236%0.36422%0.215SC..SBendtrans-129.563.3-177.1-168.731000110.9R270 H300 P301 K305R270-N303 VanDerWaalsContact CZ-OD1 3.27Å; R270-N303 PolarHBondContact NH1-O 3.37Å; R270-N303 PolarHBondContact NH1-OD1 3.27Å; R270-N303 PolarHBondContact NH2-OD1 3.34Å; H300-N303 HydrophobicContact CB-CB 4.2Å; H300-N303 CarbonylContact O-C 3.51Å; H300-N303 WeakPolarHBondContact O-CA 3.38Å; H300-N303 PolarHBondContact O-N 3.23Å; P301-N303 VanDerWaalsContact C-N 3.26Å; P301-N303 PolarHBondContact O-N 2.82Å; N303-K305 PolarHBondContact O-N 3.2Å
304P95.2Very high92.3Very high0 Ų044.2 Ų44.20%022%0.222CC..PPolyproline II helixtrans-78.5125.6-154.932.9-38.1000113.4T262 N263 L267 R270 V296 H300T262-P304 HydrophobicContact CG2-CB 3.71Å; T262-P304 HydrophobicContact CG2-CG 4.25Å; N263-P304 HydrophobicContact CB-CG 4.39Å; L267-P304 HydrophobicContact CB-CB 4.37Å; L267-P304 HydrophobicContact CB-CG 3.73Å; L267-P304 HydrophobicContact CD1-CB 4.07Å; L267-P304 HydrophobicContact CD1-CG 4.17Å; L267-P304 HydrophobicContact CG-CG 4.5Å; R270-P304 WeakPolarHBondContact CD-O 3.49Å; R270-P304 PolarHBondContact NH1-O 2.83Å; V296-P304 HydrophobicContact CG1-CB 4.15Å; H300-P304 WeakPolarHBondContact O-CA 3.45Å
305K96Very high92Very high58 Ų5844 Ų4425%0.25222%0.222SC..PPolyproline II helixtrans-100.4128.5-174.6-172.9176-162.8179.20110.9S223 P224 V296 S297 N303S223-K305 WeakPolarHBondContact O-CE 3.34Å; S223-K305 PolarHBondContact O-NZ 3.08Å; P224-K305 WeakPolarHBondContact O-CG 3.46Å; V296-K305 WeakPolarHBondContact CA-O 3.4Å; S297-K305 PolarHBondContact N-O 2.91Å; N303-K305 PolarHBondContact O-N 3.2Å
306Y96.6Very high91.6Very high9 Ų944.9 Ų44.94%0.03523%0.234CC..EExtended strand (participates in β ladder)trans-71.4148.9170.2-74.7-71.1000111M225 L226 Y227 V251 L267 R270 I294 F295 V296M225-Y306 WeakPolarHBondContact O-CB 3.12Å; M225-Y306 PolarHBondContact O-N 3.44Å; L226-Y306 CarbonylContact C-O 3.49Å; L226-Y306 WeakPolarHBondContact CA-O 3.43Å; Y227-Y306 PolarHBondContact N-O 2.91Å; V251-Y306 HydrophobicContact CG2-CE1 4.09Å; L267-Y306 HydrophobicContact CD1-CD1 3.98Å; L267-Y306 HydrophobicContact CD1-CD2 4.03Å; L267-Y306 HydrophobicContact CD1-CE1 3.54Å; L267-Y306 HydrophobicContact CD1-CE2 3.55Å; L267-Y306 HydrophobicContact CD1-CG 4.24Å; L267-Y306 HydrophobicContact CG-CE1 4.09Å; L267-Y306 HydrophobicContact CG-CE2 4.26Å; L267-Y306 VanDerWaalsContact O-CE2 3.25Å; L267-Y306 WeakPolarHBondContact O-CE2 3.27Å; L267-Y306 PolarHBondContact O-OH 3.27Å; R270-Y306 HydrophobicContact CB-CD2 4.16Å; R270-Y306 HydrophobicContact CB-CE2 3.83Å; I294-Y306 HydrophobicContact CG2-CD1 3.37Å; I294-Y306 HydrophobicContact CG2-CE1 3.84Å; I294-Y306 HydrophobicContact CG2-CG 4.36Å; F295-Y306 CarbonylContact O-C 3.54Å; F295-Y306 WeakPolarHBondContact O-CA 3.06Å; V296-Y306 HydrophobicContact CG2-CD1 4.33Å; V296-Y306 HydrophobicContact CG2-CE1 4.43Å
307I96.7Very high91Very high10 Ų1045.4 Ų45.45%0.05124%0.237CC..EExtended strand (participates in β ladder)trans-125.1116169.8-49.9170.8000107.3Y227 I246 I294 F295Y227-I307 HydrophobicContact CD1-CG2 4.06Å; Y227-I307 CarbonylContact O-C 3.59Å; Y227-I307 VanDerWaalsContact O-CA 3.3Å; Y227-I307 WeakPolarHBondContact O-CA 3.47Å; I246-I307 HydrophobicContact CB-CG2 4.31Å; I246-I307 HydrophobicContact CD1-CB 4.36Å; I246-I307 HydrophobicContact CD1-CG2 3.53Å; I246-I307 HydrophobicContact CG1-CG2 4.43Å; I246-I307 HydrophobicContact CG2-CG2 4.07Å; I294-I307 WeakPolarHBondContact CA-O 3.32Å; F295-I307 HydrophobicContact CB-CB 4.21Å; F295-I307 PolarHBondContact N-O 3.33Å; F295-I307 PolarHBondContact O-N 2.9Å
308G94.7Very high90.5Very high1 Ų148.4 Ų48.41%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-96.3135.7177.300000111.2Y227 P229Y227-G308 PolarHBondContact O-N 2.91Å; P229-G308 WeakPolarHBondContact CD-O 3.24Å
309I93.3Very high90Very high45 Ų4551.6 Ų51.623%0.23127%0.268CS..  trans-125.4170.6173.667.2163.7000110.9P229 I246 H286 N293 F295P229-I309 HydrophobicContact CG-CG2 4.09Å; I246-I309 HydrophobicContact CD1-CG2 3.45Å; I246-I309 VanDerWaalsContact CD1-CG2 3.45Å; I246-I309 HydrophobicContact CG1-CG2 4.21Å; H286-I309 PolarHBondContact NE2-O 2.97Å; H286-I309 VanDerWaalsContact NE2-O 3.16Å; N293-I309 HydrophobicContact CB-CG1 4.24Å; N293-I309 WeakPolarHBondContact CB-O 3.31Å; N293-I309 PolarHBondContact O-N 3.4Å; F295-I309 HydrophobicContact CD2-CD1 4.37Å; F295-I309 HydrophobicContact CD2-CG1 4.36Å; F295-I309 HydrophobicContact CD2-CG2 4.47Å; F295-I309 HydrophobicContact CE2-CD1 3.47Å; F295-I309 VanDerWaalsContact CE2-CD1 3.47Å; F295-I309 HydrophobicContact CE2-CG1 3.84Å; F295-I309 HydrophobicContact CZ-CD1 4.17Å
310D88.1Confident89.7Confident51 Ų5152 Ų5227%0.27327%0.27SS..  trans59.764.5176.2-156.4-3.1000114K153 H286 G312K153-D310 IonicContact NZ-OD1 2.6Å; K153-D310 PolarHBondContact NZ-OD1 3.07Å; K153-D310 VanDerWaalsContact NZ-OD1 3.13Å; H286-D310 PolarHBondContact CE1-O 2.85Å; H286-D310 VanDerWaalsContact CE1-O 3.27Å; H286-D310 PolarHBondContact NE2-O 3.4Å; D310-G312 PolarHBondContact O-N 3.05Å
311C88.7Confident89.2Confident3 Ų348.5 Ų48.52%0.0225%0.254CS..THydrogen-bonded Turntrans-75.828.7179.3-58.10000113.5N212 A213 L216 I313N212-C311 HydrophobicContact CB-CB 4.02Å; N212-C311 VanDerWaalsContact CB-O 3.28Å; N212-C311 WeakPolarHBondContact CB-O 3.41Å; N212-C311 PolarHBondContact ND2-O 3.17Å; A213-C311 HydrophobicContact CB-CB 3.96Å; L216-C311 HydrophobicContact CD1-CB 4.04Å; C311-I313 VanDerWaalsContact C-N 3.31Å; C311-I313 PolarHBondContact O-N 2.93Å
312G82.7Confident88.7Confident30 Ų3048.3 Ų48.331%0.30925%0.25SS..THydrogen-bonded Turntrans-64.6-35.5-176.400000112.7D310D310-G312 PolarHBondContact O-N 3.05Å
313I81.8Confident88.1Confident48 Ų4850.5 Ų50.525%0.24625%0.254CS..SBendtrans-115.3112.8179.1-42.9179.9000109.7A287 D288 C311A287-I313 HydrophobicContact CB-CB 4.32Å; A287-I313 HydrophobicContact CB-CG2 3.78Å; A287-I313 WeakPolarHBondContact CB-O 3.36Å; A287-I313 PolarHBondContact N-O 3.28Å; D288-I313 HydrophobicContact CB-CB 4.29Å; D288-I313 HydrophobicContact CB-CD1 4.32Å; C311-I313 VanDerWaalsContact C-N 3.31Å; C311-I313 PolarHBondContact O-N 2.93Å
314V88.3Confident87.7Confident34 Ų3448.2 Ų48.221%0.20624%0.24CC..EExtended strand (participates in β ladder)trans-123.5151.1173.1-62.10000110.3N212 L216 F284 F285N212-V314 HydrophobicContact CB-CG1 3.78Å; N212-V314 HydrophobicContact CB-CG2 4.31Å; N212-V314 VanDerWaalsContact CG-CG2 3.47Å; N212-V314 WeakPolarHBondContact ND2-CG2 3.37Å; N212-V314 WeakPolarHBondContact OD1-CG2 3.45Å; L216-V314 HydrophobicContact CD1-CG1 4.03Å; F284-V314 HydrophobicContact CE1-CB 4.4Å; F284-V314 HydrophobicContact CE1-CG1 4.24Å; F284-V314 HydrophobicContact CE2-CB 3.97Å; F284-V314 HydrophobicContact CE2-CG2 3.63Å; F284-V314 HydrophobicContact CZ-CB 3.8Å; F284-V314 HydrophobicContact CZ-CG1 3.97Å; F284-V314 HydrophobicContact CZ-CG2 3.58Å; F285-V314 CarbonylContact O-C 3.51Å; F285-V314 VanDerWaalsContact O-CA 3.27Å; F285-V314 WeakPolarHBondContact O-CA 3.36Å
315G84.9Confident87.2Confident5 Ų549 Ų495%0.05224%0.244CC..EExtended strand (participates in β ladder)trans-115.6152169.300000110.7F284 F285F284-G315 WeakPolarHBondContact CA-O 3.29Å; F285-G315 WeakPolarHBondContact CD1-O 3.37Å; F285-G315 PolarHBondContact N-O 2.89Å; F285-G315 PolarHBondContact O-N 3.24Å
316S87.9Confident86.5Confident62 Ų6246.3 Ų46.343%0.43423%0.232SC..EExtended strand (participates in β ladder)trans-124.5150.116959.50000110S283 Q401S283-S316 WeakPolarHBondContact O-CA 3.48Å; S316-Q401 PolarHBondContact O-OE1 2.85Å
317L84.1Confident86Confident12 Ų1248.2 Ų48.26%0.06324%0.242CC..  trans-114.4130.2176.9-66.2173.7000109.9V279 S283 F285 D321 L325 L402V279-L317 HydrophobicContact CG1-CD1 3.64Å; S283-L317 PolarHBondContact O-N 2.81Å; F285-L317 HydrophobicContact CE1-CD2 4.35Å; F285-L317 HydrophobicContact CE1-CG 4.07Å; L317-D321 HydrophobicContact CD2-CB 4.28Å; L317-L325 HydrophobicContact CD1-CD1 3.59Å; L317-L325 HydrophobicContact CD2-CD1 4.01Å; L317-L325 HydrophobicContact CG-CD1 4.46Å; L317-L402 HydrophobicContact CD2-CD2 4.2Å
318N84.7Confident85.5Confident78 Ų7849 Ų4942%0.41725%0.246SC..  trans-71.7171.5169.67047.1000110.5E320 D321 K322N318-E320 VanDerWaalsContact C-N 3.32Å; N318-E320 PolarHBondContact O-N 3.48Å; N318-E320 PolarHBondContact OD1-N 3.48Å; N318-D321 VanDerWaalsContact CG-OD2 3.27Å; N318-D321 PolarHBondContact ND2-OD2 3.29Å; N318-D321 WeakPolarHBondContact OD1-CB 3.42Å; N318-D321 PolarHBondContact OD1-N 2.94Å; N318-D321 PolarHBondContact OD1-OD2 3.5Å; N318-K322 WeakPolarHBondContact O-CB 3.27Å; N318-K322 PolarHBondContact O-N 3.16Å
319K82.6Confident84.9Confident178 Ų17850.8 Ų50.877%0.77425%0.253SS*.Hα-helixtrans-65.4-34.2-175.5-170.4175.2-178.5175.70113.1R323K319-R323 WeakPolarHBondContact O-CB 3.38Å; K319-R323 PolarHBondContact O-N 3.31Å; K319-R323 VanDerWaalsContact O-N 3.12Å
320E82.4Confident84.4Confident159 Ų15950.3 Ų50.374%0.74325%0.251SS*.Hα-helixtrans-71.1-50.8-179.3-66.5176.7178.700110.5N318 K322 R323 Y324N318-E320 VanDerWaalsContact C-N 3.32Å; N318-E320 PolarHBondContact O-N 3.48Å; N318-E320 PolarHBondContact OD1-N 3.48Å; E320-K322 VanDerWaalsContact C-N 3.3Å; E320-K322 PolarHBondContact O-N 3.42Å; E320-R323 PolarHBondContact O-N 3.47Å; E320-Y324 WeakPolarHBondContact O-CB 3.4Å; E320-Y324 PolarHBondContact O-N 3Å
321D82.9Confident84.4Confident26 Ų2648.1 Ų48.114%0.13924%0.24CC..Hα-helixtrans-59.7-41.3176.4-68-27.5000111.5L317 N318 Y324 L325L317-D321 HydrophobicContact CD2-CB 4.28Å; N318-D321 VanDerWaalsContact CG-OD2 3.27Å; N318-D321 PolarHBondContact ND2-OD2 3.29Å; N318-D321 WeakPolarHBondContact OD1-CB 3.42Å; N318-D321 PolarHBondContact OD1-N 2.94Å; N318-D321 PolarHBondContact OD1-OD2 3.5Å; D321-Y324 PolarHBondContact O-N 3.49Å; D321-L325 WeakPolarHBondContact O-CB 3.29Å; D321-L325 VanDerWaalsContact O-CG 3.25Å; D321-L325 WeakPolarHBondContact O-CG 3.32Å; D321-L325 PolarHBondContact O-N 3.47Å
322K82.6Confident84.2Confident25 Ų2549.7 Ų49.711%0.10925%0.247CC..Hα-helixtrans-60.7-46.1176.8-174.1-173.4-155.1169.60112F280 R281 S283 N318 E320 A326 W436F280-K322 WeakPolarHBondContact O-CE 3.47Å; F280-K322 PolarHBondContact O-NZ 3.31Å; R281-K322 PolarHBondContact O-NZ 3.37Å; S283-K322 VanDerWaalsContact OG-CD 3.24Å; S283-K322 WeakPolarHBondContact OG-CD 3.31Å; S283-K322 WeakPolarHBondContact OG-CE 3.3Å; S283-K322 PolarHBondContact OG-NZ 3Å; N318-K322 WeakPolarHBondContact O-CB 3.27Å; N318-K322 PolarHBondContact O-N 3.16Å; E320-K322 VanDerWaalsContact C-N 3.3Å; E320-K322 PolarHBondContact O-N 3.42Å; K322-A326 WeakPolarHBondContact O-CB 3.22Å; K322-A326 PolarHBondContact O-N 3.37Å; K322-A326 VanDerWaalsContact O-N 3.09Å; K322-W436 HydrophobicContact CD-CH2 4.34Å; K322-W436 HydrophobicContact CD-CZ2 3.67Å; K322-W436 VanDerWaalsContact CE-CZ2 3.41Å; K322-W436 HydrophobicContact CG-CH2 4.01Å; K322-W436 HydrophobicContact CG-CZ2 3.72Å
323R82Confident84.1Confident159 Ų15949.1 Ų49.160%0.624%0.235SC*.Hα-helixtrans-65.8-48.1177.7179.2178.5177.5-168.6-5.9110.6K319 E320 L325 A326 E327K319-R323 WeakPolarHBondContact O-CB 3.38Å; K319-R323 PolarHBondContact O-N 3.31Å; K319-R323 VanDerWaalsContact O-N 3.12Å; E320-R323 PolarHBondContact O-N 3.47Å; R323-L325 VanDerWaalsContact C-N 3.33Å; R323-L325 PolarHBondContact O-N 3.44Å; R323-A326 PolarHBondContact O-N 3.32Å; R323-E327 HydrophobicContact CG-CG 4.41Å; R323-E327 WeakPolarHBondContact CG-OE1 3.47Å; R323-E327 IonicContact CZ-OE1 2.7Å; R323-E327 IonicContact NE-OE1 3.4Å; R323-E327 PolarHBondContact NE-OE1 3.43Å; R323-E327 IonicContact NH2-OE1 2.59Å; R323-E327 PolarHBondContact NH2-OE1 3.26Å; R323-E327 VanDerWaalsContact NH2-OE1 3.1Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 3.46Å
324Y85Confident84.3Confident20 Ų2051 Ų518%0.07825%0.246CC..Hα-helixtrans-52.3-52.8175.3164.9-85.3000110.4E320 D321 A326 E327 N328 L343 H344 W349E320-Y324 WeakPolarHBondContact O-CB 3.4Å; E320-Y324 PolarHBondContact O-N 3Å; D321-Y324 PolarHBondContact O-N 3.49Å; Y324-A326 VanDerWaalsContact C-N 3.34Å; Y324-A326 PolarHBondContact O-N 3.15Å; Y324-E327 PolarHBondContact O-N 3.28Å; Y324-N328 HydrophobicContact CE1-CB 4.31Å; Y324-N328 VanDerWaalsContact O-CB 3.25Å; Y324-N328 WeakPolarHBondContact O-CB 2.96Å; Y324-N328 PolarHBondContact O-N 2.99Å; Y324-N328 PolarHBondContact OH-ND2 3.33Å; Y324-L343 HydrophobicContact CD2-CB 4.4Å; Y324-L343 HydrophobicContact CE2-CB 4.18Å; Y324-L343 WeakPolarHBondContact CE2-O 3.23Å; Y324-H344 PolarHBondContact OH-CD2 2.79Å; Y324-H344 PolarHBondContact OH-CE1 3.38Å; Y324-H344 PolarHBondContact OH-ND1 3.12Å; Y324-H344 PolarHBondContact OH-NE2 3.49Å; Y324-W349 AromaticContact CD1-CH2 3.12Å; Y324-W349 HydrophobicContact CD1-CH2 3.12Å; Y324-W349 AromaticContact CD1-CZ2 3.7Å; Y324-W349 HydrophobicContact CD1-CZ2 3.7Å; Y324-W349 AromaticContact CD1-CZ3 3.75Å; Y324-W349 HydrophobicContact CD1-CZ3 3.75Å; Y324-W349 HydrophobicContact CD2-CH2 4.38Å; Y324-W349 HydrophobicContact CD2-CZ2 4.49Å; Y324-W349 AromaticContact CE1-CE3 3.91Å; Y324-W349 HydrophobicContact CE1-CE3 3.91Å; Y324-W349 AromaticContact CE1-CH2 2.91Å; Y324-W349 HydrophobicContact CE1-CH2 2.91Å; Y324-W349 AromaticContact CE1-CZ2 3.86Å; Y324-W349 HydrophobicContact CE1-CZ2 3.86Å; Y324-W349 AromaticContact CE1-CZ3 3Å; Y324-W349 HydrophobicContact CE1-CZ3 3Å; Y324-W349 HydrophobicContact CE2-CD2 4.43Å; Y324-W349 HydrophobicContact CE2-CE3 4.07Å; Y324-W349 HydrophobicContact CE2-CH2 4.15Å; Y324-W349 AromaticContact CE2-CZ3 3.99Å; Y324-W349 HydrophobicContact CE2-CZ3 3.99Å; Y324-W349 AromaticContact CG-CH2 3.91Å; Y324-W349 HydrophobicContact CG-CH2 3.91Å; Y324-W349 HydrophobicContact CG-CZ2 4.07Å; Y324-W349 AromaticContact CZ-CE3 3.51Å; Y324-W349 AromaticContact CZ-CH2 3.44Å; Y324-W349 VanDerWaalsContact CZ-CH2 3.44Å; Y324-W349 AromaticContact CZ-CZ3 3.09Å; Y324-W349 WeakPolarHBondContact OH-CZ3 3.18Å
325L85Confident84.3Confident17 Ų1754.8 Ų54.89%0.08926%0.257CS..Hα-helixtrans-60-46.5-177.3-77.2171.4000110.7F280 L317 D321 R323 N328 F329 L402 L405F280-L325 HydrophobicContact CE1-CB 3.97Å; F280-L325 HydrophobicContact CZ-CB 4.19Å; L317-L325 HydrophobicContact CD1-CD1 3.59Å; L317-L325 HydrophobicContact CD2-CD1 4.01Å; L317-L325 HydrophobicContact CG-CD1 4.46Å; D321-L325 WeakPolarHBondContact O-CB 3.29Å; D321-L325 VanDerWaalsContact O-CG 3.25Å; D321-L325 WeakPolarHBondContact O-CG 3.32Å; D321-L325 PolarHBondContact O-N 3.47Å; R323-L325 VanDerWaalsContact C-N 3.33Å; R323-L325 PolarHBondContact O-N 3.44Å; L325-N328 PolarHBondContact O-N 3.4Å; L325-F329 HydrophobicContact CB-CD2 4.44Å; L325-F329 HydrophobicContact CB-CE2 4.47Å; L325-F329 HydrophobicContact CD2-CE2 4.4Å; L325-F329 WeakPolarHBondContact O-CD2 3.44Å; L325-F329 PolarHBondContact O-N 3.45Å; L325-L402 HydrophobicContact CD1-CD2 3.88Å; L325-L402 HydrophobicContact CD2-CD2 4.13Å; L325-L402 HydrophobicContact CG-CD2 4.3Å; L325-L405 HydrophobicContact CD1-CD2 3.68Å; L325-L405 HydrophobicContact CD2-CD2 4.29Å
326A82.5Confident84.6Confident0 Ų058 Ų580%027%0.273CS..Hα-helixtrans-64.6-44.9-17800000112.8F280 K322 R323 Y324 N328 F329 I330 W436 I437F280-A326 HydrophobicContact CD1-CB 3.99Å; F280-A326 HydrophobicContact CE1-CB 3.68Å; K322-A326 WeakPolarHBondContact O-CB 3.22Å; K322-A326 PolarHBondContact O-N 3.37Å; K322-A326 VanDerWaalsContact O-N 3.09Å; R323-A326 PolarHBondContact O-N 3.32Å; Y324-A326 VanDerWaalsContact C-N 3.34Å; Y324-A326 PolarHBondContact O-N 3.15Å; A326-N328 VanDerWaalsContact C-N 3.28Å; A326-N328 PolarHBondContact O-N 2.78Å; A326-F329 PolarHBondContact O-N 2.97Å; A326-I330 PolarHBondContact O-N 3.15Å; A326-W436 HydrophobicContact CB-CE3 3.69Å; A326-W436 HydrophobicContact CB-CH2 3.79Å; A326-W436 HydrophobicContact CB-CZ3 3.07Å; A326-I437 HydrophobicContact CB-CD1 3.95Å
327E84.9Confident84.9Confident50 Ų5055.5 Ų55.523%0.23425%0.254CS..Hα-helixtrans-62.3-39.8175.1-69.7-174.4-162.600110.6R323 Y324 I330 A331 L343R323-E327 HydrophobicContact CG-CG 4.41Å; R323-E327 WeakPolarHBondContact CG-OE1 3.47Å; R323-E327 IonicContact CZ-OE1 2.7Å; R323-E327 IonicContact NE-OE1 3.4Å; R323-E327 PolarHBondContact NE-OE1 3.43Å; R323-E327 IonicContact NH2-OE1 2.59Å; R323-E327 PolarHBondContact NH2-OE1 3.26Å; R323-E327 VanDerWaalsContact NH2-OE1 3.1Å; R323-E327 WeakPolarHBondContact O-CG 3.43Å; R323-E327 PolarHBondContact O-N 3.46Å; Y324-E327 PolarHBondContact O-N 3.28Å; E327-I330 PolarHBondContact O-N 3.29Å; E327-A331 VanDerWaalsContact O-CB 3.27Å; E327-A331 WeakPolarHBondContact O-CB 3.32Å; E327-A331 PolarHBondContact O-N 2.92Å; E327-L343 HydrophobicContact CB-CD1 3.68Å; E327-L343 HydrophobicContact CB-CD2 4.12Å; E327-L343 VanDerWaalsContact OE2-CD2 3.22Å; E327-L343 WeakPolarHBondContact OE2-CD2 3.23Å
328N85.7Confident85.4Confident25 Ų2559.9 Ų59.913%0.13427%0.27CS..Hα-helixtrans-66.4-44.7178.4-150.5-80.8000112.1Y324 L325 A326 I330 A331 F332 L343 H344Y324-N328 HydrophobicContact CE1-CB 4.31Å; Y324-N328 VanDerWaalsContact O-CB 3.25Å; Y324-N328 WeakPolarHBondContact O-CB 2.96Å; Y324-N328 PolarHBondContact O-N 2.99Å; Y324-N328 PolarHBondContact OH-ND2 3.33Å; L325-N328 PolarHBondContact O-N 3.4Å; A326-N328 VanDerWaalsContact C-N 3.28Å; A326-N328 PolarHBondContact O-N 2.78Å; N328-I330 PolarHBondContact O-N 2.94Å; N328-A331 PolarHBondContact O-N 3.33Å; N328-F332 VanDerWaalsContact O-CB 3.23Å; N328-F332 WeakPolarHBondContact O-CB 3.48Å; N328-F332 PolarHBondContact O-N 3.47Å; N328-L343 HydrophobicContact CB-CD1 4.36Å; N328-H344 PolarHBondContact ND2-CE1 3.42Å; N328-H344 VanDerWaalsContact ND2-CE1 3.29Å; N328-H344 PolarHBondContact ND2-ND1 3.03Å
329F83.6Confident85.8Confident39 Ų3959.2 Ų59.217%0.17126%0.263CS..Hα-helixtrans-61.1-44.1176.1-85.9-70.7000111.4F276 F280 L325 A326 F332 F333 L433F276-F329 HydrophobicContact CE1-CD1 4.43Å; F276-F329 HydrophobicContact CE1-CE1 4.41Å; F276-F329 HydrophobicContact CZ-CE1 4.34Å; F280-F329 HydrophobicContact CE1-CD2 4.49Å; F280-F329 HydrophobicContact CE2-CD2 4.22Å; F280-F329 HydrophobicContact CE2-CE2 4.26Å; F280-F329 AromaticContact CZ-CD2 3.53Å; F280-F329 HydrophobicContact CZ-CD2 3.53Å; F280-F329 AromaticContact CZ-CE2 3.73Å; F280-F329 HydrophobicContact CZ-CE2 3.73Å; L325-F329 HydrophobicContact CB-CD2 4.44Å; L325-F329 HydrophobicContact CB-CE2 4.47Å; L325-F329 HydrophobicContact CD2-CE2 4.4Å; L325-F329 WeakPolarHBondContact O-CD2 3.44Å; L325-F329 PolarHBondContact O-N 3.45Å; A326-F329 PolarHBondContact O-N 2.97Å; F329-F332 WeakPolarHBondContact O-CB 3.49Å; F329-F332 PolarHBondContact O-N 2.97Å; F329-F333 HydrophobicContact CB-CD2 4.28Å; F329-F333 HydrophobicContact CB-CE2 4.1Å; F329-F333 AromaticContact CD1-CE2 3.99Å; F329-F333 HydrophobicContact CD1-CE2 3.99Å; F329-F333 HydrophobicContact CG-CE2 4.48Å; F329-F333 WeakPolarHBondContact O-CB 3.5Å; F329-F333 WeakPolarHBondContact O-CD2 3.11Å; F329-F333 WeakPolarHBondContact O-CG 3.29Å; F329-F333 PolarHBondContact O-N 3.2Å; F329-L433 HydrophobicContact CB-CD1 3.65Å; F329-L433 HydrophobicContact CB-CD2 4.43Å; F329-L433 HydrophobicContact CG-CD1 4.21Å
330I82.9Confident86.2Confident35 Ų3551 Ų5118%0.17923%0.228CC..Hα-helixtrans-68.7-43.1178.9-77.2165.8000112.1A326 E327 N328 F332 F333 N334 L433 I437A326-I330 PolarHBondContact O-N 3.15Å; E327-I330 PolarHBondContact O-N 3.29Å; N328-I330 PolarHBondContact O-N 2.94Å; I330-F332 VanDerWaalsContact C-N 3.26Å; I330-F332 PolarHBondContact O-N 2.95Å; I330-F333 PolarHBondContact O-N 3.18Å; I330-N334 WeakPolarHBondContact CG2-ND2 3.42Å; I330-N334 WeakPolarHBondContact O-CB 3.48Å; I330-N334 PolarHBondContact O-N 3.2Å; I330-N334 PolarHBondContact O-ND2 3Å; I330-L433 HydrophobicContact CG1-CB 4.3Å; I330-I437 HydrophobicContact CD1-CB 4.18Å; I330-I437 HydrophobicContact CD1-CD1 3.09Å; I330-I437 HydrophobicContact CD1-CG1 4.16Å; I330-I437 HydrophobicContact CD1-CG2 4.5Å; I330-I437 HydrophobicContact CG1-CD1 4.41Å
331A87.6Confident86.7Confident5 Ų543.4 Ų43.44%0.04119%0.192CC..Hα-helixtrans-56.4-46.1173.800000110.2E327 N328 N334 R335 D336 K339 V340 L343E327-A331 VanDerWaalsContact O-CB 3.27Å; E327-A331 WeakPolarHBondContact O-CB 3.32Å; E327-A331 PolarHBondContact O-N 2.92Å; N328-A331 PolarHBondContact O-N 3.33Å; A331-N334 CarbonylContact O-C 3.28Å; A331-N334 PolarHBondContact O-N 3.39Å; A331-R335 PolarHBondContact O-N 3.14Å; A331-D336 HydrophobicContact CB-CB 4.36Å; A331-D336 PolarHBondContact O-N 3.35Å; A331-K339 HydrophobicContact CB-CB 3.89Å; A331-K339 HydrophobicContact CB-CG 3.84Å; A331-V340 HydrophobicContact CB-CG2 3.65Å; A331-L343 HydrophobicContact CB-CD1 4.49Å
332F84.8Confident87.2Confident37 Ų3744.9 Ų44.916%0.16220%0.199CC..Hα-helixtrans-60.3-46.3174.2178.9-93.3000112.8N328 F329 I330 N334 R335 V340 C367 I370 W426N328-F332 VanDerWaalsContact O-CB 3.23Å; N328-F332 WeakPolarHBondContact O-CB 3.48Å; N328-F332 PolarHBondContact O-N 3.47Å; F329-F332 WeakPolarHBondContact O-CB 3.49Å; F329-F332 PolarHBondContact O-N 2.97Å; I330-F332 VanDerWaalsContact C-N 3.26Å; I330-F332 PolarHBondContact O-N 2.95Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.43Å; F332-R335 PolarHBondContact O-N 3.4Å; F332-R335 VanDerWaalsContact O-N 3.07Å; F332-V340 HydrophobicContact CB-CG2 4.24Å; F332-C367 HydrophobicContact CD2-CB 4.44Å; F332-C367 HydrophobicContact CE2-CB 3.69Å; F332-C367 VanDerWaalsContact CE2-SG 3.56Å; F332-I370 HydrophobicContact CZ-CD1 4.42Å; F332-W426 HydrophobicContact CE1-CZ2 4.05Å; F332-W426 AromaticContact CE1-NE1 3.8Å; F332-W426 HydrophobicContact CZ-CZ2 4.24Å
333F80.3Confident87.6Confident17 Ų1744.2 Ų44.28%0.07520%0.196CC..Hα-helixtrans-64.8-30.7177.7-77.9-55.3000113.3F329 I330 R335 W426 A429 L433F329-F333 HydrophobicContact CB-CD2 4.28Å; F329-F333 HydrophobicContact CB-CE2 4.1Å; F329-F333 AromaticContact CD1-CE2 3.99Å; F329-F333 HydrophobicContact CD1-CE2 3.99Å; F329-F333 HydrophobicContact CG-CE2 4.48Å; F329-F333 WeakPolarHBondContact O-CB 3.5Å; F329-F333 WeakPolarHBondContact O-CD2 3.11Å; F329-F333 WeakPolarHBondContact O-CG 3.29Å; F329-F333 PolarHBondContact O-N 3.2Å; I330-F333 PolarHBondContact O-N 3.18Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-W426 HydrophobicContact CD1-CB 4.2Å; F333-W426 AromaticContact CD1-CD1 3.43Å; F333-W426 VanDerWaalsContact CD1-CD1 3.43Å; F333-W426 AromaticContact CD1-CG 3.94Å; F333-W426 HydrophobicContact CD1-CG 3.94Å; F333-W426 HydrophobicContact CE1-CB 4.02Å; F333-W426 AromaticContact CE1-CD1 3.6Å; F333-W426 HydrophobicContact CE1-CD2 4.39Å; F333-W426 AromaticContact CE1-CG 3.73Å; F333-W426 HydrophobicContact CE1-CG 3.73Å; F333-A429 HydrophobicContact CE2-CB 4.38Å; F333-A429 HydrophobicContact CZ-CB 3.89Å; F333-L433 HydrophobicContact CD2-CD1 3.62Å; F333-L433 HydrophobicContact CE2-CD1 3.23Å; F333-L433 HydrophobicContact CZ-CD1 4.35Å
334N85.6Confident87.9Confident89 Ų8937.8 Ų37.848%0.47617%0.173SC..THydrogen-bonded Turntrans-89.14.2175.7-69.2-23.4000112.9I330 A331 F332 D336 K430I330-N334 WeakPolarHBondContact CG2-ND2 3.42Å; I330-N334 WeakPolarHBondContact O-CB 3.48Å; I330-N334 PolarHBondContact O-N 3.2Å; I330-N334 PolarHBondContact O-ND2 3Å; A331-N334 CarbonylContact O-C 3.28Å; A331-N334 PolarHBondContact O-N 3.39Å; F332-N334 VanDerWaalsContact C-N 3.28Å; F332-N334 PolarHBondContact O-N 3.43Å; N334-D336 PolarHBondContact O-N 3.37Å; N334-K430 PolarHBondContact OD1-NZ 3.21Å
335R88.2Confident88.1Confident112 Ų11238 Ų3842%0.42318%0.176SC..THydrogen-bonded Turntrans58.424.5-177.2-54.2168.962.3-169.5-6.4113.2A331 F332 F333 Y337 E368 F371A331-R335 PolarHBondContact O-N 3.14Å; F332-R335 PolarHBondContact O-N 3.4Å; F332-R335 VanDerWaalsContact O-N 3.07Å; F333-R335 VanDerWaalsContact C-N 3.3Å; R335-Y337 HydrophobicContact CB-CE2 4.12Å; R335-Y337 WeakPolarHBondContact O-CD2 3.44Å; R335-Y337 PolarHBondContact O-N 3.43Å; R335-E368 IonicContact CZ-OE1 3.64Å; R335-E368 IonicContact CZ-OE2 3.73Å; R335-E368 IonicContact NE-OE1 3.45Å; R335-E368 IonicContact NE-OE2 2.6Å; R335-E368 PolarHBondContact NE-OE2 3.12Å; R335-E368 IonicContact NH2-OE1 3Å; R335-E368 PolarHBondContact NH2-OE1 3.18Å; R335-E368 IonicContact NH2-OE2 3.43Å; R335-E368 PolarHBondContact NH2-OE2 2.94Å; R335-F371 HydrophobicContact CG-CD1 4.4Å; R335-F371 HydrophobicContact CG-CD2 3.82Å; R335-F371 HydrophobicContact CG-CE1 4.12Å; R335-F371 HydrophobicContact CG-CE2 3.5Å; R335-F371 HydrophobicContact CG-CG 4.26Å; R335-F371 HydrophobicContact CG-CZ 3.67Å
336D92.1Very high88.2Confident73 Ų7343 Ų4339%0.3920%0.203SC..  trans-8370173.5-167.9-14.2000109.3A331 N334 R338 K339 V340A331-D336 HydrophobicContact CB-CB 4.36Å; A331-D336 PolarHBondContact O-N 3.35Å; N334-D336 PolarHBondContact O-N 3.37Å; D336-R338 PolarHBondContact O-N 3.29Å; D336-K339 HydrophobicContact CB-CB 4.05Å; D336-K339 PolarHBondContact O-N 2.93Å; D336-K339 VanDerWaalsContact O-N 3.16Å; D336-K339 VanDerWaalsContact OD1-CB 3.29Å; D336-K339 WeakPolarHBondContact OD1-CB 3.29Å; D336-K339 PolarHBondContact OD1-N 3.01Å; D336-K339 WeakPolarHBondContact OD2-CB 3.38Å; D336-V340 WeakPolarHBondContact O-CG2 3.31Å; D336-V340 PolarHBondContact O-N 2.83Å
337Y92.8Very high88.2Confident10 Ų1045 Ų454%0.03922%0.217CC..Hα-helixtrans-63.5-25.7-179.3-55.9-57.4000112.3R335 V340 A341 I363 R364 C367 E368R335-Y337 HydrophobicContact CB-CE2 4.12Å; R335-Y337 WeakPolarHBondContact O-CD2 3.44Å; R335-Y337 PolarHBondContact O-N 3.43Å; Y337-V340 PolarHBondContact O-N 3.5Å; Y337-A341 PolarHBondContact O-N 3.25Å; Y337-I363 HydrophobicContact CD1-CG2 3.89Å; Y337-R364 HydrophobicContact CD2-CB 3.63Å; Y337-R364 HydrophobicContact CD2-CG 3.74Å; Y337-R364 HydrophobicContact CE2-CB 4.09Å; Y337-R364 HydrophobicContact CE2-CG 3.82Å; Y337-R364 HydrophobicContact CG-CB 4Å; Y337-C367 HydrophobicContact CD1-CB 4.32Å; Y337-C367 HydrophobicContact CE1-CB 3.55Å; Y337-E368 WeakPolarHBondContact CE2-OE2 3.29Å; Y337-E368 PolarHBondContact OH-OE2 3.3Å
338R95Very high88.1Confident103 Ų10345.1 Ų45.139%0.38923%0.231SC..Hα-helixtrans-64.2-50.5173.2-174.4178.4-178.394.1-2.1110D336 V340 A341 E342 E360D336-R338 PolarHBondContact O-N 3.29Å; R338-V340 VanDerWaalsContact C-N 3.28Å; R338-V340 PolarHBondContact O-N 2.8Å; R338-A341 WeakPolarHBondContact O-CB 3.49Å; R338-A341 PolarHBondContact O-N 3.12Å; R338-E342 HydrophobicContact CG-CG 4.44Å; R338-E342 IonicContact CZ-OE1 3.74Å; R338-E342 IonicContact NE-OE1 3.23Å; R338-E342 PolarHBondContact NE-OE1 3.39Å; R338-E342 IonicContact NH2-OE1 3.6Å; R338-E342 WeakPolarHBondContact O-CG 3.29Å; R338-E342 PolarHBondContact O-N 3.18Å; R338-E360 HydrophobicContact CB-CG 4.26Å; R338-E360 WeakPolarHBondContact CB-OE2 3.28Å; R338-E360 WeakPolarHBondContact CG-OE2 3.18Å; R338-E360 IonicContact NH1-OE2 3.72Å
339K93.6Very high87.8Confident64 Ų6444.8 Ų44.828%0.27823%0.228SC..Hα-helixtrans-62.2-37.7177-175.158.8176.1169.10111.9A331 D336 A341 E342 L343A331-K339 HydrophobicContact CB-CB 3.89Å; A331-K339 HydrophobicContact CB-CG 3.84Å; D336-K339 HydrophobicContact CB-CB 4.05Å; D336-K339 PolarHBondContact O-N 2.93Å; D336-K339 VanDerWaalsContact O-N 3.16Å; D336-K339 VanDerWaalsContact OD1-CB 3.29Å; D336-K339 WeakPolarHBondContact OD1-CB 3.29Å; D336-K339 PolarHBondContact OD1-N 3.01Å; D336-K339 WeakPolarHBondContact OD2-CB 3.38Å; K339-A341 VanDerWaalsContact C-N 3.33Å; K339-A341 PolarHBondContact O-N 3.08Å; K339-E342 PolarHBondContact O-N 3.01Å; K339-L343 HydrophobicContact CD-CD1 4.43Å; K339-L343 HydrophobicContact CD-CG 4.18Å; K339-L343 HydrophobicContact CG-CD1 4.04Å; K339-L343 HydrophobicContact CG-CG 4.3Å; K339-L343 WeakPolarHBondContact O-CB 3.29Å; K339-L343 WeakPolarHBondContact O-CD1 3.27Å; K339-L343 WeakPolarHBondContact O-CG 3.49Å; K339-L343 PolarHBondContact O-N 3.4Å
340V91.9Very high87.9Confident5 Ų543 Ų433%0.0322%0.22CC..Hα-helixtrans-56.4-48.5171.6176.80000110.4A331 F332 D336 Y337 R338 L343 H344 I363A331-V340 HydrophobicContact CB-CG2 3.65Å; F332-V340 HydrophobicContact CB-CG2 4.24Å; D336-V340 WeakPolarHBondContact O-CG2 3.31Å; D336-V340 PolarHBondContact O-N 2.83Å; Y337-V340 PolarHBondContact O-N 3.5Å; R338-V340 VanDerWaalsContact C-N 3.28Å; R338-V340 PolarHBondContact O-N 2.8Å; V340-L343 PolarHBondContact O-N 3.01Å; V340-H344 PolarHBondContact O-N 3.47Å; V340-H344 PolarHBondContact O-ND1 3.37Å; V340-I363 HydrophobicContact CB-CD1 4.5Å; V340-I363 HydrophobicContact CG1-CD1 3.93Å; V340-I363 HydrophobicContact CG1-CG2 4.29Å
341A92.4Very high88Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-63.6-47.5179.100000112.5Y337 R338 K339 L343 H344 V345 V356 F359 E360 I363Y337-A341 PolarHBondContact O-N 3.25Å; R338-A341 WeakPolarHBondContact O-CB 3.49Å; R338-A341 PolarHBondContact O-N 3.12Å; K339-A341 VanDerWaalsContact C-N 3.33Å; K339-A341 PolarHBondContact O-N 3.08Å; A341-L343 VanDerWaalsContact C-N 3.33Å; A341-L343 PolarHBondContact O-N 2.76Å; A341-H344 PolarHBondContact O-N 3.08Å; A341-V345 PolarHBondContact O-N 2.81Å; A341-V356 HydrophobicContact CB-CG1 3.94Å; A341-F359 HydrophobicContact CB-CB 4.36Å; A341-F359 HydrophobicContact CB-CD1 3.8Å; A341-F359 HydrophobicContact CB-CE1 4.48Å; A341-F359 HydrophobicContact CB-CG 4.27Å; A341-E360 HydrophobicContact CB-CB 4.2Å; A341-I363 HydrophobicContact CB-CD1 4.02Å
342E93.2Very high88Confident58 Ų5848.3 Ų48.327%0.27126%0.257SS..Hα-helixtrans-57.2-45.1177.1-71.2173.2176.500111.4R338 K339 H344 V345 D346 V356R338-E342 HydrophobicContact CG-CG 4.44Å; R338-E342 IonicContact CZ-OE1 3.74Å; R338-E342 IonicContact NE-OE1 3.23Å; R338-E342 PolarHBondContact NE-OE1 3.39Å; R338-E342 IonicContact NH2-OE1 3.6Å; R338-E342 WeakPolarHBondContact O-CG 3.29Å; R338-E342 PolarHBondContact O-N 3.18Å; K339-E342 PolarHBondContact O-N 3.01Å; E342-H344 VanDerWaalsContact C-N 3.29Å; E342-H344 PolarHBondContact O-N 2.86Å; E342-V345 PolarHBondContact O-N 2.95Å; E342-D346 WeakPolarHBondContact O-CB 3.41Å; E342-D346 VanDerWaalsContact O-CG 3.25Å; E342-D346 PolarHBondContact O-N 3.46Å; E342-V356 HydrophobicContact CG-CG1 3.86Å
343L90.4Very high88.2Confident10 Ų1053.2 Ų53.25%0.05228%0.284CS..Hα-helixtrans-61.1-35.1179.8-73.7169.7000113.5Y324 E327 N328 A331 K339 V340 A341 V345 S347Y324-L343 HydrophobicContact CD2-CB 4.4Å; Y324-L343 HydrophobicContact CE2-CB 4.18Å; Y324-L343 WeakPolarHBondContact CE2-O 3.23Å; E327-L343 HydrophobicContact CB-CD1 3.68Å; E327-L343 HydrophobicContact CB-CD2 4.12Å; E327-L343 VanDerWaalsContact OE2-CD2 3.22Å; E327-L343 WeakPolarHBondContact OE2-CD2 3.23Å; N328-L343 HydrophobicContact CB-CD1 4.36Å; A331-L343 HydrophobicContact CB-CD1 4.49Å; K339-L343 HydrophobicContact CD-CD1 4.43Å; K339-L343 HydrophobicContact CD-CG 4.18Å; K339-L343 HydrophobicContact CG-CD1 4.04Å; K339-L343 HydrophobicContact CG-CG 4.3Å; K339-L343 WeakPolarHBondContact O-CB 3.29Å; K339-L343 WeakPolarHBondContact O-CD1 3.27Å; K339-L343 WeakPolarHBondContact O-CG 3.49Å; K339-L343 PolarHBondContact O-N 3.4Å; V340-L343 PolarHBondContact O-N 3.01Å; A341-L343 VanDerWaalsContact C-N 3.33Å; A341-L343 PolarHBondContact O-N 2.76Å; L343-V345 VanDerWaalsContact C-N 3.33Å; L343-S347 VanDerWaalsContact O-CB 3.27Å; L343-S347 WeakPolarHBondContact O-CB 3.35Å; L343-S347 PolarHBondContact O-N 3.04Å; L343-S347 PolarHBondContact O-OG 3.33Å; L343-S347 VanDerWaalsContact O-OG 3.1Å
344H88.3Confident88.7Confident24 Ų2453.5 Ų53.511%0.11129%0.288CS..Hα-helixtrans-71-30.3176.7-77.181.1000112.6Y324 N328 V340 A341 E342 S347 W349 V350 F359Y324-H344 PolarHBondContact OH-CD2 2.79Å; Y324-H344 PolarHBondContact OH-CE1 3.38Å; Y324-H344 PolarHBondContact OH-ND1 3.12Å; Y324-H344 PolarHBondContact OH-NE2 3.49Å; N328-H344 PolarHBondContact ND2-CE1 3.42Å; N328-H344 VanDerWaalsContact ND2-CE1 3.29Å; N328-H344 PolarHBondContact ND2-ND1 3.03Å; V340-H344 PolarHBondContact O-N 3.47Å; V340-H344 PolarHBondContact O-ND1 3.37Å; A341-H344 PolarHBondContact O-N 3.08Å; E342-H344 VanDerWaalsContact C-N 3.29Å; E342-H344 PolarHBondContact O-N 2.86Å; H344-S347 PolarHBondContact O-OG 2.68Å; H344-W349 PolarHBondContact O-N 3Å; H344-W349 VanDerWaalsContact O-N 3.11Å; H344-V350 HydrophobicContact CB-CB 4.49Å; H344-V350 HydrophobicContact CB-CG2 4.04Å; H344-V350 PolarHBondContact O-N 3.36Å; H344-V350 VanDerWaalsContact O-N 3.07Å; H344-F359 HydrophobicContact CB-CE1 3.68Å; H344-F359 HydrophobicContact CB-CZ 4.36Å; H344-F359 AromaticContact CG-CE1 3.93Å
345V89.2Confident89Confident24 Ų2453.3 Ų53.315%0.14529%0.287CS..Hα-helixtrans-77.8-46.9175.3177.30000110.1A341 E342 L343 S347 G348 V350 V356A341-V345 PolarHBondContact O-N 2.81Å; E342-V345 PolarHBondContact O-N 2.95Å; L343-V345 VanDerWaalsContact C-N 3.33Å; V345-S347 VanDerWaalsContact C-N 3.27Å; V345-S347 PolarHBondContact O-N 3.4Å; V345-G348 PolarHBondContact O-N 3.24Å; V345-V350 HydrophobicContact CG2-CB 4.25Å; V345-V350 HydrophobicContact CG2-CG1 4.09Å; V345-V356 HydrophobicContact CG2-CG2 4.19Å
346D87.4Confident89.2Confident122 Ų12249.5 Ų49.565%0.65228%0.276SS*.Hα-helixtrans-61.5-34.2179.2-69.9-17.2000112.3E342 G348E342-D346 WeakPolarHBondContact O-CB 3.41Å; E342-D346 VanDerWaalsContact O-CG 3.25Å; E342-D346 PolarHBondContact O-N 3.46Å; D346-G348 PolarHBondContact O-N 2.99Å
347S83.2Confident89.3Confident44 Ų4452 Ų5231%0.30829%0.285SS..THydrogen-bonded Turntrans-77.6-3.1175.672.50000113.8L343 H344 V345 W349L343-S347 VanDerWaalsContact O-CB 3.27Å; L343-S347 WeakPolarHBondContact O-CB 3.35Å; L343-S347 PolarHBondContact O-N 3.04Å; L343-S347 PolarHBondContact O-OG 3.33Å; L343-S347 VanDerWaalsContact O-OG 3.1Å; H344-S347 PolarHBondContact O-OG 2.68Å; V345-S347 VanDerWaalsContact C-N 3.27Å; V345-S347 PolarHBondContact O-N 3.4Å; S347-W349 VanDerWaalsContact C-N 3.26Å; S347-W349 PolarHBondContact O-N 3.49Å; S347-W349 VanDerWaalsContact OG-CD1 3.3Å
348G81.6Confident89.4Confident51 Ų5155.3 Ų55.353%0.52630%0.301SS..THydrogen-bonded Turntrans70.816.5-178.400000114.5V345 D346V345-G348 PolarHBondContact O-N 3.24Å; D346-G348 PolarHBondContact O-N 2.99Å
349W80.3Confident89.2Confident19 Ų1950.6 Ų50.67%0.07228%0.283CS..SBendtrans-82.7-30.5-179.8-665.7000112.2Y324 H344 S347 M396 E397 Q399 L402Y324-W349 AromaticContact CD1-CH2 3.12Å; Y324-W349 HydrophobicContact CD1-CH2 3.12Å; Y324-W349 AromaticContact CD1-CZ2 3.7Å; Y324-W349 HydrophobicContact CD1-CZ2 3.7Å; Y324-W349 AromaticContact CD1-CZ3 3.75Å; Y324-W349 HydrophobicContact CD1-CZ3 3.75Å; Y324-W349 HydrophobicContact CD2-CH2 4.38Å; Y324-W349 HydrophobicContact CD2-CZ2 4.49Å; Y324-W349 AromaticContact CE1-CE3 3.91Å; Y324-W349 HydrophobicContact CE1-CE3 3.91Å; Y324-W349 AromaticContact CE1-CH2 2.91Å; Y324-W349 HydrophobicContact CE1-CH2 2.91Å; Y324-W349 AromaticContact CE1-CZ2 3.86Å; Y324-W349 HydrophobicContact CE1-CZ2 3.86Å; Y324-W349 AromaticContact CE1-CZ3 3Å; Y324-W349 HydrophobicContact CE1-CZ3 3Å; Y324-W349 HydrophobicContact CE2-CD2 4.43Å; Y324-W349 HydrophobicContact CE2-CE3 4.07Å; Y324-W349 HydrophobicContact CE2-CH2 4.15Å; Y324-W349 AromaticContact CE2-CZ3 3.99Å; Y324-W349 HydrophobicContact CE2-CZ3 3.99Å; Y324-W349 AromaticContact CG-CH2 3.91Å; Y324-W349 HydrophobicContact CG-CH2 3.91Å; Y324-W349 HydrophobicContact CG-CZ2 4.07Å; Y324-W349 AromaticContact CZ-CE3 3.51Å; Y324-W349 AromaticContact CZ-CH2 3.44Å; Y324-W349 VanDerWaalsContact CZ-CH2 3.44Å; Y324-W349 AromaticContact CZ-CZ3 3.09Å; Y324-W349 WeakPolarHBondContact OH-CZ3 3.18Å; H344-W349 PolarHBondContact O-N 3Å; H344-W349 VanDerWaalsContact O-N 3.11Å; S347-W349 VanDerWaalsContact C-N 3.26Å; S347-W349 PolarHBondContact O-N 3.49Å; S347-W349 VanDerWaalsContact OG-CD1 3.3Å; W349-M396 HydrophobicContact CB-CE 4.31Å; W349-M396 HydrophobicContact CB-CG 4.43Å; W349-M396 HydrophobicContact CD2-CE 4.35Å; W349-M396 HydrophobicContact CE3-CE 3.49Å; W349-M396 VanDerWaalsContact CE3-CE 3.49Å; W349-M396 HydrophobicContact CZ3-CE 4.17Å; W349-M396 CarbonylContact O-C 3.43Å; W349-M396 VanDerWaalsContact O-CA 3.28Å; W349-M396 WeakPolarHBondContact O-CA 3.36Å; W349-E397 PolarHBondContact O-N 2.93Å; W349-Q399 HydrophobicContact CD2-CG 4.47Å; W349-Q399 HydrophobicContact CZ2-CG 4.44Å; W349-L402 HydrophobicContact CE3-CD1 4.33Å; W349-L402 HydrophobicContact CH2-CD1 2.9Å; W349-L402 HydrophobicContact CH2-CG 4.26Å; W349-L402 HydrophobicContact CZ2-CD1 3.54Å; W349-L402 HydrophobicContact CZ3-CD1 3.34Å
350V84.7Confident89.2Confident0 Ų049.3 Ų49.30%028%0.278CS..SBendtrans-109.6138.1171171.10000107.1H344 V345 T354 F359 F394 M396H344-V350 HydrophobicContact CB-CB 4.49Å; H344-V350 HydrophobicContact CB-CG2 4.04Å; H344-V350 PolarHBondContact O-N 3.36Å; H344-V350 VanDerWaalsContact O-N 3.07Å; V345-V350 HydrophobicContact CG2-CB 4.25Å; V345-V350 HydrophobicContact CG2-CG1 4.09Å; V350-T354 VanDerWaalsContact CG1-CB 3.44Å; V350-T354 HydrophobicContact CG1-CG2 3.55Å; V350-T354 WeakPolarHBondContact CG1-OG1 3.45Å; V350-F359 HydrophobicContact CG2-CE1 3.87Å; V350-F359 HydrophobicContact CG2-CZ 4.15Å; V350-F394 HydrophobicContact CG1-CB 4.25Å; V350-M396 HydrophobicContact CG2-CB 3.96Å; V350-M396 HydrophobicContact CG2-CG 4.04Å; V350-M396 HydrophobicContact CG2-SD 4.46Å
351P85.4Confident89.3Confident36 Ų3654.9 Ų54.923%0.23430%0.302CS..  trans-54141.8-179.3-27.736.1000112.4D353 T354 F394 N395P351-D353 WeakPolarHBondContact CB-OD1 3.27Å; P351-D353 PolarHBondContact O-N 3.28Å; P351-D353 VanDerWaalsContact O-N 3.14Å; P351-T354 WeakPolarHBondContact O-CB 3.04Å; P351-T354 PolarHBondContact O-N 3.15Å; P351-T354 PolarHBondContact O-OG1 3.16Å; P351-F394 VanDerWaalsContact CD-O 3.32Å; P351-F394 WeakPolarHBondContact CD-O 3.47Å; P351-N395 HydrophobicContact CG-CB 4.04Å
352P87.8Confident89.2Confident116 Ų11655.7 Ų55.775%0.75331%0.309SS*.THydrogen-bonded Turntrans-64.8-18.2-176.126.9-35.5000114T354P352-T354 VanDerWaalsContact C-N 3.26Å
353D89.6Confident89.1Confident140 Ų14053.2 Ų53.275%0.74930%0.298SS*.THydrogen-bonded Turntrans-82.1-0174.360.8-52.2000113.6P351P351-D353 WeakPolarHBondContact CB-OD1 3.27Å; P351-D353 PolarHBondContact O-N 3.28Å; P351-D353 VanDerWaalsContact O-N 3.14Å
354T89.6Confident89.2Confident23 Ų2357.3 Ų57.314%0.14131%0.312CS..SBendtrans-68.6135.5179.9-60.90000112.1V350 P351 P352 V356 F359 F394V350-T354 VanDerWaalsContact CG1-CB 3.44Å; V350-T354 HydrophobicContact CG1-CG2 3.55Å; V350-T354 WeakPolarHBondContact CG1-OG1 3.45Å; P351-T354 WeakPolarHBondContact O-CB 3.04Å; P351-T354 PolarHBondContact O-N 3.15Å; P351-T354 PolarHBondContact O-OG1 3.16Å; P352-T354 VanDerWaalsContact C-N 3.26Å; T354-V356 PolarHBondContact O-N 2.58Å; T354-F359 HydrophobicContact CG2-CB 4.5Å; T354-F394 HydrophobicContact CG2-CB 4.23Å; T354-F394 HydrophobicContact CG2-CD1 3.51Å; T354-F394 HydrophobicContact CG2-CE1 4.28Å; T354-F394 HydrophobicContact CG2-CG 4.22Å
355N92Very high89.3Confident85 Ų8560.1 Ų60.146%0.45533%0.331SS..  trans-68.5104172.1-173.6-24.1000110.7E357 E358 F359N355-E357 VanDerWaalsContact C-N 3.26Å; N355-E357 PolarHBondContact O-N 3.42Å; N355-E357 WeakPolarHBondContact OD1-CB 3.31Å; N355-E357 PolarHBondContact OD1-N 2.84Å; N355-E358 HydrophobicContact CB-CB 4.04Å; N355-E358 PolarHBondContact O-N 3.4Å; N355-E358 PolarHBondContact OD1-N 2.96Å; N355-F359 PolarHBondContact O-N 3.38Å
356V93.2Very high89.1Confident33 Ų3359.8 Ų59.820%0.233%0.329CS..Hα-helixtrans-58.1-36.3179.5178.80000112.2A341 E342 V345 T354 F359 E360A341-V356 HydrophobicContact CB-CG1 3.94Å; E342-V356 HydrophobicContact CG-CG1 3.86Å; V345-V356 HydrophobicContact CG2-CG2 4.19Å; T354-V356 PolarHBondContact O-N 2.58Å; V356-F359 PolarHBondContact O-N 3.28Å; V356-E360 VanDerWaalsContact O-CB 3.3Å; V356-E360 WeakPolarHBondContact O-CB 3.37Å; V356-E360 PolarHBondContact O-N 3.22Å
357E94.7Very high89.1Confident125 Ų12554 Ų5458%0.58430%0.298SS*.Hα-helixtrans-71.4-40.7-178.9-59.3-179.2169.900111.9N355 F359 F361N355-E357 VanDerWaalsContact C-N 3.26Å; N355-E357 PolarHBondContact O-N 3.42Å; N355-E357 WeakPolarHBondContact OD1-CB 3.31Å; N355-E357 PolarHBondContact OD1-N 2.84Å; E357-F359 VanDerWaalsContact C-N 3.28Å; E357-F359 PolarHBondContact O-N 3.46Å; E357-F361 WeakPolarHBondContact O-CB 3.41Å; E357-F361 PolarHBondContact O-N 2.75Å
358E93.1Very high89.2Confident79 Ų7955.3 Ų55.337%0.36930%0.3SS..Hα-helixtrans-64.2-39.4174-167.7-175.7172.500110.3N355 F361 A362 R393 F394N355-E358 HydrophobicContact CB-CB 4.04Å; N355-E358 PolarHBondContact O-N 3.4Å; N355-E358 PolarHBondContact OD1-N 2.96Å; E358-F361 PolarHBondContact O-N 2.7Å; E358-A362 WeakPolarHBondContact O-CB 3.38Å; E358-A362 PolarHBondContact O-N 2.82Å; E358-R393 IonicContact OE1-CZ 3.47Å; E358-R393 IonicContact OE1-NE 2.76Å; E358-R393 IonicContact OE1-NH2 2.71Å; E358-R393 PolarHBondContact OE1-NH2 3.35Å; E358-F394 HydrophobicContact CB-CE1 4.17Å; E358-F394 HydrophobicContact CB-CZ 4.38Å; E358-F394 HydrophobicContact CG-CE1 4.07Å; E358-F394 HydrophobicContact CG-CZ 4.01Å
359F92Very high89.4Confident4 Ų456.3 Ų56.32%0.01830%0.297CS..Hα-helixtrans-69.2-44.8178.6-171.7-151.7000112.5A341 H344 V350 T354 N355 V356 E357 F361 A362 I363 T390 F394A341-F359 HydrophobicContact CB-CB 4.36Å; A341-F359 HydrophobicContact CB-CD1 3.8Å; A341-F359 HydrophobicContact CB-CE1 4.48Å; A341-F359 HydrophobicContact CB-CG 4.27Å; H344-F359 HydrophobicContact CB-CE1 3.68Å; H344-F359 HydrophobicContact CB-CZ 4.36Å; H344-F359 AromaticContact CG-CE1 3.93Å; V350-F359 HydrophobicContact CG2-CE1 3.87Å; V350-F359 HydrophobicContact CG2-CZ 4.15Å; T354-F359 HydrophobicContact CG2-CB 4.5Å; N355-F359 PolarHBondContact O-N 3.38Å; V356-F359 PolarHBondContact O-N 3.28Å; E357-F359 VanDerWaalsContact C-N 3.28Å; E357-F359 PolarHBondContact O-N 3.46Å; F359-F361 VanDerWaalsContact C-N 3.32Å; F359-F361 PolarHBondContact O-N 3.22Å; F359-A362 PolarHBondContact O-N 2.97Å; F359-A362 VanDerWaalsContact O-N 3.16Å; F359-I363 HydrophobicContact CD1-CD1 4.15Å; F359-I363 HydrophobicContact CD2-CD1 3.85Å; F359-I363 HydrophobicContact CD2-CG1 3.98Å; F359-I363 HydrophobicContact CE1-CD1 4.01Å; F359-I363 HydrophobicContact CE2-CD1 3.7Å; F359-I363 HydrophobicContact CE2-CG1 3.77Å; F359-I363 HydrophobicContact CG-CD1 4.08Å; F359-I363 HydrophobicContact CZ-CD1 3.78Å; F359-I363 HydrophobicContact CZ-CG1 4.28Å; F359-I363 WeakPolarHBondContact O-CG1 3.42Å; F359-I363 PolarHBondContact O-N 3.32Å; F359-T390 HydrophobicContact CE2-CG2 4.4Å; F359-F394 HydrophobicContact CB-CD1 4.18Å; F359-F394 HydrophobicContact CB-CD2 4.45Å; F359-F394 HydrophobicContact CB-CE1 3.92Å; F359-F394 HydrophobicContact CB-CE2 4.26Å; F359-F394 HydrophobicContact CB-CG 4.43Å; F359-F394 HydrophobicContact CB-CZ 3.98Å; F359-F394 HydrophobicContact CD2-CD1 4.47Å; F359-F394 AromaticContact CD2-CD2 3.34Å; F359-F394 HydrophobicContact CD2-CD2 3.34Å; F359-F394 AromaticContact CD2-CE2 3.48Å; F359-F394 HydrophobicContact CD2-CE2 3.48Å; F359-F394 VanDerWaalsContact CD2-CE2 3.48Å; F359-F394 AromaticContact CD2-CG 3.9Å; F359-F394 HydrophobicContact CD2-CG 3.9Å; F359-F394 HydrophobicContact CD2-CZ 4.1Å; F359-F394 AromaticContact CE2-CD2 3.79Å; F359-F394 HydrophobicContact CE2-CD2 3.79Å; F359-F394 HydrophobicContact CE2-CE2 4.25Å; F359-F394 HydrophobicContact CE2-CG 4.42Å; F359-F394 HydrophobicContact CG-CD1 4.46Å; F359-F394 HydrophobicContact CG-CD2 4.1Å; F359-F394 HydrophobicContact CG-CE2 4.24Å; F359-F394 HydrophobicContact CG-CG 4.23Å; F359-F394 HydrophobicContact CG-CZ 4.45Å
360E94.1Very high89.3Confident37 Ų3756.2 Ų56.217%0.17330%0.298CS..Hα-helixtrans-52.7-50.3171.1174.6-168.8154.800110.7R338 A341 V356 A362 I363 R364R338-E360 HydrophobicContact CB-CG 4.26Å; R338-E360 WeakPolarHBondContact CB-OE2 3.28Å; R338-E360 WeakPolarHBondContact CG-OE2 3.18Å; R338-E360 IonicContact NH1-OE2 3.72Å; A341-E360 HydrophobicContact CB-CB 4.2Å; V356-E360 VanDerWaalsContact O-CB 3.3Å; V356-E360 WeakPolarHBondContact O-CB 3.37Å; V356-E360 PolarHBondContact O-N 3.22Å; E360-A362 VanDerWaalsContact C-N 3.28Å; E360-A362 PolarHBondContact O-N 3.5Å; E360-I363 PolarHBondContact O-N 3.33Å; E360-R364 WeakPolarHBondContact O-CB 3.29Å; E360-R364 PolarHBondContact O-N 3.48Å
361F93.6Very high89Confident122 Ų12257.8 Ų57.854%0.53531%0.305SS..Hα-helixtrans-59.1-42.2179.8-179.4-88.4000111.6E357 E358 F359 R364 T365E357-F361 WeakPolarHBondContact O-CB 3.41Å; E357-F361 PolarHBondContact O-N 2.75Å; E358-F361 PolarHBondContact O-N 2.7Å; F359-F361 VanDerWaalsContact C-N 3.32Å; F359-F361 PolarHBondContact O-N 3.22Å; F361-R364 PolarHBondContact O-N 2.85Å; F361-T365 WeakPolarHBondContact O-CB 3.31Å; F361-T365 PolarHBondContact O-N 3.11Å; F361-T365 PolarHBondContact O-OG1 2.54Å
362A90.8Very high88.4Confident17 Ų1762.9 Ų62.914%0.1433%0.325CS..Hα-helixtrans-68-41.5179.600000112.3E358 F359 E360 T365 V366 T390 F394E358-A362 WeakPolarHBondContact O-CB 3.38Å; E358-A362 PolarHBondContact O-N 2.82Å; F359-A362 PolarHBondContact O-N 2.97Å; F359-A362 VanDerWaalsContact O-N 3.16Å; E360-A362 VanDerWaalsContact C-N 3.28Å; E360-A362 PolarHBondContact O-N 3.5Å; A362-T365 WeakPolarHBondContact O-CB 3.28Å; A362-T365 PolarHBondContact O-N 2.9Å; A362-V366 PolarHBondContact O-N 2.99Å; A362-T390 HydrophobicContact CB-CG2 3.33Å; A362-F394 HydrophobicContact CB-CE2 3.82Å; A362-F394 HydrophobicContact CB-CZ 4.1Å
363I90.6Very high88Confident6 Ų661.2 Ų61.23%0.03131%0.306CS..Hα-helixtrans-60.8-51173.7-66.7160.6000110.2Y337 V340 A341 F359 E360 T365 V366 C367Y337-I363 HydrophobicContact CD1-CG2 3.89Å; V340-I363 HydrophobicContact CB-CD1 4.5Å; V340-I363 HydrophobicContact CG1-CD1 3.93Å; V340-I363 HydrophobicContact CG1-CG2 4.29Å; A341-I363 HydrophobicContact CB-CD1 4.02Å; F359-I363 HydrophobicContact CD1-CD1 4.15Å; F359-I363 HydrophobicContact CD2-CD1 3.85Å; F359-I363 HydrophobicContact CD2-CG1 3.98Å; F359-I363 HydrophobicContact CE1-CD1 4.01Å; F359-I363 HydrophobicContact CE2-CD1 3.7Å; F359-I363 HydrophobicContact CE2-CG1 3.77Å; F359-I363 HydrophobicContact CG-CD1 4.08Å; F359-I363 HydrophobicContact CZ-CD1 3.78Å; F359-I363 HydrophobicContact CZ-CG1 4.28Å; F359-I363 WeakPolarHBondContact O-CG1 3.42Å; F359-I363 PolarHBondContact O-N 3.32Å; E360-I363 PolarHBondContact O-N 3.33Å; I363-T365 VanDerWaalsContact C-N 3.26Å; I363-T365 PolarHBondContact O-N 3.17Å; I363-V366 PolarHBondContact O-N 2.91Å; I363-C367 WeakPolarHBondContact O-CB 3.42Å; I363-C367 PolarHBondContact O-N 3.44Å; I363-C367 PolarHBondContact O-SG 3.42Å
364R91.2Very high87.3Confident96 Ų9655.7 Ų55.736%0.36228%0.278SS..Hα-helixtrans-55-42.5178.6176.5173.652.5-159.4-14.6111.8Y337 E360 F361 V366 C367 E368Y337-R364 HydrophobicContact CD2-CB 3.63Å; Y337-R364 HydrophobicContact CD2-CG 3.74Å; Y337-R364 HydrophobicContact CE2-CB 4.09Å; Y337-R364 HydrophobicContact CE2-CG 3.82Å; Y337-R364 HydrophobicContact CG-CB 4Å; E360-R364 WeakPolarHBondContact O-CB 3.29Å; E360-R364 PolarHBondContact O-N 3.48Å; F361-R364 PolarHBondContact O-N 2.85Å; R364-V366 PolarHBondContact O-N 3.23Å; R364-C367 PolarHBondContact O-N 3.44Å; R364-E368 HydrophobicContact CG-CB 4.21Å; R364-E368 WeakPolarHBondContact O-CB 3.18Å; R364-E368 PolarHBondContact O-N 2.9Å
365T90.6Very high86.2Confident83 Ų8354.6 Ų54.651%0.50927%0.271SS..Hα-helixtrans-57.5-34.1178.8-59.50000112.4F361 A362 I363 P369F361-T365 WeakPolarHBondContact O-CB 3.31Å; F361-T365 PolarHBondContact O-N 3.11Å; F361-T365 PolarHBondContact O-OG1 2.54Å; A362-T365 WeakPolarHBondContact O-CB 3.28Å; A362-T365 PolarHBondContact O-N 2.9Å; I363-T365 VanDerWaalsContact C-N 3.26Å; I363-T365 PolarHBondContact O-N 3.17Å; T365-P369 WeakPolarHBondContact O-CD 3.25Å
366V86.5Confident85.4Confident17 Ų1753.3 Ų53.310%0.10327%0.272CS..Hα-helixtrans-86.8-38.2-179.9-178.30000112.3A362 I363 R364 V383 N386 L387A362-V366 PolarHBondContact O-N 2.99Å; I363-V366 PolarHBondContact O-N 2.91Å; R364-V366 PolarHBondContact O-N 3.23Å; V366-V383 HydrophobicContact CG1-CG1 4.2Å; V366-N386 HydrophobicContact CB-CB 4.37Å; V366-N386 HydrophobicContact CG1-CB 3.54Å; V366-N386 HydrophobicContact CG2-CB 3.85Å; V366-L387 HydrophobicContact CB-CD2 4.08Å; V366-L387 HydrophobicContact CB-CG 4.46Å; V366-L387 HydrophobicContact CG1-CD2 3.97Å; V366-L387 HydrophobicContact CG1-CG 3.8Å
367C86Confident84.6Confident1 Ų157.9 Ų57.91%0.00729%0.292CS..Hα-helixtrans-91.6-30.3-168.4-60.50000114.3F332 Y337 I363 R364 I370F332-C367 HydrophobicContact CD2-CB 4.44Å; F332-C367 HydrophobicContact CE2-CB 3.69Å; F332-C367 VanDerWaalsContact CE2-SG 3.56Å; Y337-C367 HydrophobicContact CD1-CB 4.32Å; Y337-C367 HydrophobicContact CE1-CB 3.55Å; I363-C367 WeakPolarHBondContact O-CB 3.42Å; I363-C367 PolarHBondContact O-N 3.44Å; I363-C367 PolarHBondContact O-SG 3.42Å; R364-C367 PolarHBondContact O-N 3.44Å; C367-I370 WeakPolarHBondContact O-CG1 3.37Å; C367-I370 PolarHBondContact O-N 2.97Å
368E86.5Confident83.5Confident71 Ų7152.1 Ų52.133%0.33227%0.265SS..G310 helixtrans-62.8-42-178.2-174.365.5-147.500112.5R335 Y337 R364 I370 F371R335-E368 IonicContact CZ-OE1 3.64Å; R335-E368 IonicContact CZ-OE2 3.73Å; R335-E368 IonicContact NE-OE1 3.45Å; R335-E368 IonicContact NE-OE2 2.6Å; R335-E368 PolarHBondContact NE-OE2 3.12Å; R335-E368 IonicContact NH2-OE1 3Å; R335-E368 PolarHBondContact NH2-OE1 3.18Å; R335-E368 IonicContact NH2-OE2 3.43Å; R335-E368 PolarHBondContact NH2-OE2 2.94Å; Y337-E368 WeakPolarHBondContact CE2-OE2 3.29Å; Y337-E368 PolarHBondContact OH-OE2 3.3Å; R364-E368 HydrophobicContact CG-CB 4.21Å; R364-E368 WeakPolarHBondContact O-CB 3.18Å; R364-E368 PolarHBondContact O-N 2.9Å; E368-I370 PolarHBondContact O-N 3.29Å; E368-I370 VanDerWaalsContact O-N 3.08Å; E368-F371 PolarHBondContact O-N 2.84Å
369P84.4Confident82.4Confident73 Ų7351 Ų5147%0.47427%0.266SS..G310 helixtrans-66.5-13.6-177.6-23.435.6000116T365 K373T365-P369 WeakPolarHBondContact O-CD 3.25Å; P369-K373 WeakPolarHBondContact O-CD 3.24Å; P369-K373 WeakPolarHBondContact O-CE 3.35Å; P369-K373 PolarHBondContact O-NZ 2.69Å
370I79.6Confident81.3Confident16 Ų1652 Ų528%0.08227%0.27CS..G310 helixtrans-106.3-8.5-176.162.6165.8000113.6F332 C367 E368 I378 V383 W426F332-I370 HydrophobicContact CZ-CD1 4.42Å; C367-I370 WeakPolarHBondContact O-CG1 3.37Å; C367-I370 PolarHBondContact O-N 2.97Å; E368-I370 PolarHBondContact O-N 3.29Å; E368-I370 VanDerWaalsContact O-N 3.08Å; I370-I378 HydrophobicContact CB-CG1 4.15Å; I370-I378 HydrophobicContact CB-CG2 4.03Å; I370-I378 HydrophobicContact CG2-CG2 3.94Å; I370-I378 WeakPolarHBondContact O-CD1 3.17Å; I370-V383 HydrophobicContact CB-CG2 4.44Å; I370-V383 HydrophobicContact CD1-CB 4.27Å; I370-V383 HydrophobicContact CD1-CG1 3.59Å; I370-V383 HydrophobicContact CD1-CG2 3.7Å; I370-V383 HydrophobicContact CG1-CG2 4.47Å; I370-V383 HydrophobicContact CG2-CG2 3.55Å; I370-W426 HydrophobicContact CD1-CH2 4.43Å; I370-W426 HydrophobicContact CD1-CZ2 4.31Å; I370-W426 HydrophobicContact CG1-CZ2 4.49Å
371F77.7Confident79.9Confident34 Ų3451.6 Ų51.615%0.14928%0.276CS..THydrogen-bonded Turntrans-65.4141.3-175.7-165.8-97000111.3R335 E368 K373 W426R335-F371 HydrophobicContact CG-CD1 4.4Å; R335-F371 HydrophobicContact CG-CD2 3.82Å; R335-F371 HydrophobicContact CG-CE1 4.12Å; R335-F371 HydrophobicContact CG-CE2 3.5Å; R335-F371 HydrophobicContact CG-CG 4.26Å; R335-F371 HydrophobicContact CG-CZ 3.67Å; E368-F371 PolarHBondContact O-N 2.84Å; F371-K373 PolarHBondContact O-N 3.23Å; F371-W426 AromaticContact CD2-CD1 3.88Å; F371-W426 AromaticContact CD2-NE1 3.48Å; F371-W426 AromaticContact CE2-CD1 3.55Å; F371-W426 AromaticContact CE2-NE1 3.6Å
372E72.3Confident78.7Confident142 Ų14251.6 Ų51.666%0.66428%0.278SS*.THydrogen-bonded Turntrans5715179.7-78.6172.3-176.700116.1
373K79.4Confident77.9Confident81 Ų8151.4 Ų51.435%0.35227%0.274SS..  trans-90.1147.2175.1-71.1-174.5177.7172.30112P369 F371 E377 I378P369-K373 WeakPolarHBondContact O-CD 3.24Å; P369-K373 WeakPolarHBondContact O-CE 3.35Å; P369-K373 PolarHBondContact O-NZ 2.69Å; F371-K373 PolarHBondContact O-N 3.23Å; K373-E377 HydrophobicContact CB-CB 4.29Å; K373-E377 HydrophobicContact CD-CB 4.42Å; K373-I378 HydrophobicContact CB-CD1 3.88Å; K373-I378 HydrophobicContact CB-CG1 3.66Å; K373-I378 WeakPolarHBondContact O-CD1 3.38Å
374P74.6Confident76.9Confident25 Ų2553 Ų5316%0.16228%0.283CS..  trans-65.7154.7171.428.3-33.7000111A376 E377 I378P374-A376 PolarHBondContact O-N 3.06Å; P374-A376 VanDerWaalsContact O-N 3.1Å; P374-E377 HydrophobicContact CG-CB 4.19Å; P374-E377 HydrophobicContact CG-CG 3.82Å; P374-E377 VanDerWaalsContact CG-OE1 3.31Å; P374-E377 WeakPolarHBondContact CG-OE1 3.18Å; P374-E377 PolarHBondContact O-N 2.87Å; P374-I378 PolarHBondContact O-N 3.26Å
375L68.2Low75.8Confident0 Ų051.9 Ų51.90%028%0.284CS..THydrogen-bonded Turntrans-57.5-29.2-177.1-165.658000114E377 F380 E413 R417 P421 L423 L425L375-E377 VanDerWaalsContact C-N 3.26Å; L375-E377 PolarHBondContact O-N 3.17Å; L375-F380 HydrophobicContact CD1-CD2 3.75Å; L375-F380 HydrophobicContact CD1-CE2 3.43Å; L375-F380 VanDerWaalsContact CD1-CE2 3.43Å; L375-E413 HydrophobicContact CD1-CG 3.6Å; L375-E413 HydrophobicContact CD2-CG 4.37Å; L375-E413 HydrophobicContact CG-CG 4.31Å; L375-R417 HydrophobicContact CD2-CB 4.07Å; L375-R417 HydrophobicContact CG-CB 4.26Å; L375-R417 PolarHBondContact O-NE 2.78Å; L375-R417 PolarHBondContact O-NH2 3.1Å; L375-R417 VanDerWaalsContact O-NH2 3.08Å; L375-P421 PolarHBondContact N-O 2.99Å; L375-L423 WeakPolarHBondContact CB-O 3.28Å; L375-L423 PolarHBondContact N-O 3.37Å; L375-L425 HydrophobicContact CD1-CD1 3.56Å; L375-L425 HydrophobicContact CD1-CG 4.14Å
376A73.8Confident75.2Confident57 Ų5751.5 Ų51.547%0.47128%0.278SS..THydrogen-bonded Turntrans-62.3-30.4174.400000113.6P374 P421P374-A376 PolarHBondContact O-N 3.06Å; P374-A376 VanDerWaalsContact O-N 3.1Å; A376-P421 HydrophobicContact CB-CB 3.88Å; A376-P421 PolarHBondContact N-O 3.24Å
377E76.1Confident74.8Confident130 Ų13053.1 Ų53.161%0.60729%0.286SS*.THydrogen-bonded Turntrans-95.3-13.4-176-69.9177.8-151.100113.2K373 P374 L375K373-E377 HydrophobicContact CB-CB 4.29Å; K373-E377 HydrophobicContact CD-CB 4.42Å; P374-E377 HydrophobicContact CG-CB 4.19Å; P374-E377 HydrophobicContact CG-CG 3.82Å; P374-E377 VanDerWaalsContact CG-OE1 3.31Å; P374-E377 WeakPolarHBondContact CG-OE1 3.18Å; P374-E377 PolarHBondContact O-N 2.87Å; L375-E377 VanDerWaalsContact C-N 3.26Å; L375-E377 PolarHBondContact O-N 3.17Å
378I72.2Confident74.1Confident3 Ų356.7 Ų56.72%0.01530%0.302CS..  trans-98.4127.4-179.9-58.8160.4000108.8I370 K373 P374 F380 V383 R417 W426I370-I378 HydrophobicContact CB-CG1 4.15Å; I370-I378 HydrophobicContact CB-CG2 4.03Å; I370-I378 HydrophobicContact CG2-CG2 3.94Å; I370-I378 WeakPolarHBondContact O-CD1 3.17Å; K373-I378 HydrophobicContact CB-CD1 3.88Å; K373-I378 HydrophobicContact CB-CG1 3.66Å; K373-I378 WeakPolarHBondContact O-CD1 3.38Å; P374-I378 PolarHBondContact O-N 3.26Å; I378-F380 HydrophobicContact CB-CD2 4.15Å; I378-F380 HydrophobicContact CB-CE2 4.02Å; I378-F380 HydrophobicContact CD1-CE2 4.13Å; I378-F380 HydrophobicContact CG2-CD2 3.49Å; I378-F380 VanDerWaalsContact CG2-CD2 3.49Å; I378-F380 HydrophobicContact CG2-CE2 3.53Å; I378-F380 HydrophobicContact CG2-CG 4.16Å; I378-F380 HydrophobicContact CG2-CZ 4.24Å; I378-V383 HydrophobicContact CG2-CG2 4.27Å; I378-R417 PolarHBondContact O-NH2 3.45Å; I378-W426 HydrophobicContact CD1-CH2 3.5Å; I378-W426 VanDerWaalsContact CD1-CH2 3.5Å; I378-W426 HydrophobicContact CD1-CZ3 3.38Å
379S71.2Confident73.4Confident57 Ų5756.8 Ų56.840%0.39931%0.305SS..  trans-95.189.5164.2-169.30000110G381 H382 V383S379-G381 PolarHBondContact O-N 2.82Å; S379-H382 WeakPolarHBondContact CB-ND1 3.37Å; S379-H382 PolarHBondContact O-N 2.86Å; S379-H382 PolarHBondContact OG-ND1 2.8Å; S379-V383 WeakPolarHBondContact O-CG2 2.65Å; S379-V383 PolarHBondContact O-N 3.12Å
380F68.1Low73.2Confident23 Ų2354.4 Ų54.410%0.10129%0.289CS..Hα-helixtrans-59-33.5179.3-84.7-95.8000112.2L375 I378 H382 V383 L384 L410 E413 L425 W426L375-F380 HydrophobicContact CD1-CD2 3.75Å; L375-F380 HydrophobicContact CD1-CE2 3.43Å; L375-F380 VanDerWaalsContact CD1-CE2 3.43Å; I378-F380 HydrophobicContact CB-CD2 4.15Å; I378-F380 HydrophobicContact CB-CE2 4.02Å; I378-F380 HydrophobicContact CD1-CE2 4.13Å; I378-F380 HydrophobicContact CG2-CD2 3.49Å; I378-F380 VanDerWaalsContact CG2-CD2 3.49Å; I378-F380 HydrophobicContact CG2-CE2 3.53Å; I378-F380 HydrophobicContact CG2-CG 4.16Å; I378-F380 HydrophobicContact CG2-CZ 4.24Å; F380-H382 VanDerWaalsContact C-N 3.32Å; F380-H382 PolarHBondContact O-N 2.89Å; F380-V383 PolarHBondContact O-N 3.42Å; F380-L384 WeakPolarHBondContact O-CB 3.43Å; F380-L384 WeakPolarHBondContact O-CG 3.06Å; F380-L384 PolarHBondContact O-N 2.88Å; F380-L410 HydrophobicContact CB-CD2 4.49Å; F380-E413 HydrophobicContact CB-CG 4.18Å; F380-E413 VanDerWaalsContact CB-OE1 3.26Å; F380-E413 WeakPolarHBondContact CB-OE1 3.5Å; F380-E413 HydrophobicContact CD2-CG 3.65Å; F380-E413 WeakPolarHBondContact CD2-OE1 3Å; F380-E413 HydrophobicContact CE2-CG 4.33Å; F380-E413 HydrophobicContact CG-CG 4.02Å; F380-L425 HydrophobicContact CD2-CD1 4.47Å; F380-L425 HydrophobicContact CE1-CD1 4.26Å; F380-L425 HydrophobicContact CE2-CD1 3.51Å; F380-L425 HydrophobicContact CZ-CD1 3.38Å; F380-W426 HydrophobicContact CE1-CH2 4.4Å; F380-W426 HydrophobicContact CE2-CH2 4.29Å; F380-W426 HydrophobicContact CE2-CZ3 4.37Å; F380-W426 AromaticContact CZ-CH2 3.59Å; F380-W426 HydrophobicContact CZ-CH2 3.59Å; F380-W426 AromaticContact CZ-CZ3 3.88Å; F380-W426 HydrophobicContact CZ-CZ3 3.88Å
381G64.3Low73Confident29 Ų2954.2 Ų54.230%0.29929%0.29SS..Hα-helixtrans-54-47.4172.700000112.3S379 L385S379-G381 PolarHBondContact O-N 2.82Å; G381-L385 WeakPolarHBondContact O-CB 3.24Å; G381-L385 WeakPolarHBondContact O-CG 3.36Å; G381-L385 PolarHBondContact O-N 3.48Å
382H69.4Low72.9Confident123 Ų12358.5 Ų58.557%0.56931%0.305SS*.Hα-helixtrans-68.6-39.4176.7-72.288.2000112.2S379 F380 L385 N386S379-H382 WeakPolarHBondContact CB-ND1 3.37Å; S379-H382 PolarHBondContact O-N 2.86Å; S379-H382 PolarHBondContact OG-ND1 2.8Å; F380-H382 VanDerWaalsContact C-N 3.32Å; F380-H382 PolarHBondContact O-N 2.89Å; H382-L385 PolarHBondContact O-N 3.27Å; H382-N386 VanDerWaalsContact O-CB 3.28Å; H382-N386 WeakPolarHBondContact O-CB 3.36Å; H382-N386 PolarHBondContact O-N 3.21Å; H382-N386 PolarHBondContact O-ND2 3Å
383V73.3Confident73.3Confident12 Ų1260 Ų607%0.07331%0.305CS..Hα-helixtrans-59.5-51.1176.3174.90000110.7V366 I370 I378 S379 F380 L385 N386 L387V366-V383 HydrophobicContact CG1-CG1 4.2Å; I370-V383 HydrophobicContact CB-CG2 4.44Å; I370-V383 HydrophobicContact CD1-CB 4.27Å; I370-V383 HydrophobicContact CD1-CG1 3.59Å; I370-V383 HydrophobicContact CD1-CG2 3.7Å; I370-V383 HydrophobicContact CG1-CG2 4.47Å; I370-V383 HydrophobicContact CG2-CG2 3.55Å; I378-V383 HydrophobicContact CG2-CG2 4.27Å; S379-V383 WeakPolarHBondContact O-CG2 2.65Å; S379-V383 PolarHBondContact O-N 3.12Å; F380-V383 PolarHBondContact O-N 3.42Å; V383-L385 PolarHBondContact O-N 3.18Å; V383-N386 PolarHBondContact O-N 3.44Å; V383-L387 HydrophobicContact CG1-CD1 4.05Å; V383-L387 HydrophobicContact CG1-CG 4.41Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 3.38Å
384L69.5Low73.5Confident40 Ų4056.8 Ų56.821%0.20929%0.291CS..Hα-helixtrans-63.3-41.8179.7-72.3176.1000111.6F380 N386 L387 F388 L410F380-L384 WeakPolarHBondContact O-CB 3.43Å; F380-L384 WeakPolarHBondContact O-CG 3.06Å; F380-L384 PolarHBondContact O-N 2.88Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 3.38Å; L384-L387 PolarHBondContact O-N 3.06Å; L384-F388 WeakPolarHBondContact O-CB 3.38Å; L384-F388 PolarHBondContact O-N 3.5Å; L384-L410 HydrophobicContact CD1-CD1 4.03Å; L384-L410 HydrophobicContact CD1-CD2 3.54Å; L384-L410 HydrophobicContact CD1-CG 3.64Å
385L67.6Low73.7Confident72 Ų7261.5 Ų61.538%0.37732%0.315SS..Hα-helixtrans-62.1-42174.7-73.6171.8000111.7G381 H382 V383 F388 N389G381-L385 WeakPolarHBondContact O-CB 3.24Å; G381-L385 WeakPolarHBondContact O-CG 3.36Å; G381-L385 PolarHBondContact O-N 3.48Å; H382-L385 PolarHBondContact O-N 3.27Å; V383-L385 PolarHBondContact O-N 3.18Å; L385-F388 PolarHBondContact O-N 3.37Å; L385-N389 WeakPolarHBondContact O-CB 3.45Å; L385-N389 PolarHBondContact O-N 3.01Å; L385-N389 PolarHBondContact O-ND2 2.91Å
386N78Confident74.1Confident75 Ų7563.5 Ų63.540%0.40132%0.324SS..Hα-helixtrans-68.4-40.5177.7-74.1-15.3000112V366 H382 V383 L384 F388 N389 T390V366-N386 HydrophobicContact CB-CB 4.37Å; V366-N386 HydrophobicContact CG1-CB 3.54Å; V366-N386 HydrophobicContact CG2-CB 3.85Å; H382-N386 VanDerWaalsContact O-CB 3.28Å; H382-N386 WeakPolarHBondContact O-CB 3.36Å; H382-N386 PolarHBondContact O-N 3.21Å; H382-N386 PolarHBondContact O-ND2 3Å; V383-N386 PolarHBondContact O-N 3.44Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 3.38Å; N386-F388 VanDerWaalsContact C-N 3.34Å; N386-N389 PolarHBondContact O-N 2.9Å; N386-T390 VanDerWaalsContact O-CB 3.26Å; N386-T390 WeakPolarHBondContact O-CB 3.45Å; N386-T390 PolarHBondContact O-N 2.9Å; N386-T390 PolarHBondContact O-OG1 3.2Å
387L79Confident73.9Confident51 Ų5167.1 Ų67.127%0.26733%0.332SS..Hα-helixtrans-61.5-43172.7-77.4177.1000111V366 V383 L384 T390 A391V366-L387 HydrophobicContact CB-CD2 4.08Å; V366-L387 HydrophobicContact CB-CG 4.46Å; V366-L387 HydrophobicContact CG1-CD2 3.97Å; V366-L387 HydrophobicContact CG1-CG 3.8Å; V383-L387 HydrophobicContact CG1-CD1 4.05Å; V383-L387 HydrophobicContact CG1-CG 4.41Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 WeakPolarHBondContact O-CG 3.49Å; V383-L387 PolarHBondContact O-N 3.38Å; L384-L387 PolarHBondContact O-N 3.06Å; L387-T390 WeakPolarHBondContact O-CB 3.39Å; L387-T390 PolarHBondContact O-N 3.35Å; L387-A391 VanDerWaalsContact O-CB 3.28Å; L387-A391 WeakPolarHBondContact O-CB 3.35Å; L387-A391 PolarHBondContact O-N 2.93Å
388F69.8Low73.4Confident76 Ų7664.7 Ų64.733%0.33333%0.325SS..Hα-helixtrans-65.8-44.2176.5-175.9-106.7000112.3L384 L385 N386 T390 A391 R392 V398L384-F388 WeakPolarHBondContact O-CB 3.38Å; L384-F388 PolarHBondContact O-N 3.5Å; L385-F388 PolarHBondContact O-N 3.37Å; N386-F388 VanDerWaalsContact C-N 3.34Å; F388-T390 PolarHBondContact O-N 2.86Å; F388-A391 PolarHBondContact O-N 3.02Å; F388-R392 HydrophobicContact CD1-CG 4.26Å; F388-R392 HydrophobicContact CE1-CG 3.96Å; F388-R392 VanDerWaalsContact CE1-CZ 3.47Å; F388-R392 HydrophobicContact CE2-CG 4.27Å; F388-R392 HydrophobicContact CZ-CG 3.96Å; F388-R392 WeakPolarHBondContact O-CB 3.48Å; F388-R392 VanDerWaalsContact O-CG 3.28Å; F388-R392 WeakPolarHBondContact O-CG 3.49Å; F388-R392 PolarHBondContact O-N 3.48Å; F388-V398 HydrophobicContact CE2-CG2 3.83Å; F388-V398 HydrophobicContact CZ-CG2 4.4Å
389N73.1Confident72.9Confident74 Ų7468 Ų6840%0.39634%0.341SS..Hα-helixtrans-59-40.7174.1-70.9-21.8000111.5L385 N386 R392 R393L385-N389 WeakPolarHBondContact O-CB 3.45Å; L385-N389 PolarHBondContact O-N 3.01Å; L385-N389 PolarHBondContact O-ND2 2.91Å; N386-N389 PolarHBondContact O-N 2.9Å; N389-R392 PolarHBondContact OD1-NH2 2.95Å; N389-R393 PolarHBondContact O-N 2.67Å
390T79.7Confident72.5Confident22 Ų2269.3 Ų69.314%0.13535%0.348CS..Hα-helixtrans-64.5-55.8176.2-61.30000110.5F359 A362 N386 L387 F388 R392 R393 F394F359-T390 HydrophobicContact CE2-CG2 4.4Å; A362-T390 HydrophobicContact CB-CG2 3.33Å; N386-T390 VanDerWaalsContact O-CB 3.26Å; N386-T390 WeakPolarHBondContact O-CB 3.45Å; N386-T390 PolarHBondContact O-N 2.9Å; N386-T390 PolarHBondContact O-OG1 3.2Å; L387-T390 WeakPolarHBondContact O-CB 3.39Å; L387-T390 PolarHBondContact O-N 3.35Å; F388-T390 PolarHBondContact O-N 2.86Å; T390-R392 VanDerWaalsContact C-N 3.29Å; T390-R392 PolarHBondContact O-N 3.31Å; T390-R393 VanDerWaalsContact O-CB 3.26Å; T390-R393 WeakPolarHBondContact O-CB 3.27Å; T390-R393 PolarHBondContact O-N 3.27Å; T390-F394 HydrophobicContact CG2-CD2 4.31Å; T390-F394 HydrophobicContact CG2-CE2 3.92Å; T390-F394 WeakPolarHBondContact O-CD2 3.21Å
391A76.5Confident72.3Confident13 Ų1372 Ų7211%0.10736%0.361CS..Hα-helixtrans-55.1-41.3178.600000113L387 F388 R393 F394 M396L387-A391 VanDerWaalsContact O-CB 3.28Å; L387-A391 WeakPolarHBondContact O-CB 3.35Å; L387-A391 PolarHBondContact O-N 2.93Å; F388-A391 PolarHBondContact O-N 3.02Å; A391-R393 VanDerWaalsContact C-N 3.28Å; A391-R393 PolarHBondContact O-N 2.84Å; A391-F394 CarbonylContact O-C 3.49Å; A391-F394 PolarHBondContact O-N 3.09Å; A391-M396 HydrophobicContact CB-CB 4Å; A391-M396 HydrophobicContact CB-CG 4.4Å; A391-M396 HydrophobicContact CB-SD 3.57Å; A391-M396 VanDerWaalsContact CB-SD 3.57Å; A391-M396 WeakPolarHBondContact O-CB 3.42Å; A391-M396 PolarHBondContact O-N 2.8Å
392R74.8Confident72.4Confident123 Ų12371.3 Ų71.346%0.46435%0.35SS..Hα-helixtrans-61.4-33.4176.1-77.7-166.8-64.61771.4113.3F388 N389 T390 F394 N395F388-R392 HydrophobicContact CD1-CG 4.26Å; F388-R392 HydrophobicContact CE1-CG 3.96Å; F388-R392 VanDerWaalsContact CE1-CZ 3.47Å; F388-R392 HydrophobicContact CE2-CG 4.27Å; F388-R392 HydrophobicContact CZ-CG 3.96Å; F388-R392 WeakPolarHBondContact O-CB 3.48Å; F388-R392 VanDerWaalsContact O-CG 3.28Å; F388-R392 WeakPolarHBondContact O-CG 3.49Å; F388-R392 PolarHBondContact O-N 3.48Å; N389-R392 PolarHBondContact OD1-NH2 2.95Å; T390-R392 VanDerWaalsContact C-N 3.29Å; T390-R392 PolarHBondContact O-N 3.31Å; R392-F394 PolarHBondContact O-N 2.86Å; R392-N395 PolarHBondContact O-N 3.41Å
393R80.4Confident72.3Confident174 Ų17468.2 Ų68.266%0.65734%0.34SS*.Hα-helixtrans-63.9-26.5175.2-177.9179166.4173.7-5.5111.8E358 N389 T390 A391E358-R393 IonicContact OE1-CZ 3.47Å; E358-R393 IonicContact OE1-NE 2.76Å; E358-R393 IonicContact OE1-NH2 2.71Å; E358-R393 PolarHBondContact OE1-NH2 3.35Å; N389-R393 PolarHBondContact O-N 2.67Å; T390-R393 VanDerWaalsContact O-CB 3.26Å; T390-R393 WeakPolarHBondContact O-CB 3.27Å; T390-R393 PolarHBondContact O-N 3.27Å; A391-R393 VanDerWaalsContact C-N 3.28Å; A391-R393 PolarHBondContact O-N 2.84Å
394F84.3Confident72Confident13 Ų1370.6 Ų70.66%0.05735%0.352CS..THydrogen-bonded Turntrans-97.821.1178.1-61.9-77.4000113.2V350 P351 T354 E358 F359 A362 T390 A391 R392 M396V350-F394 HydrophobicContact CG1-CB 4.25Å; P351-F394 VanDerWaalsContact CD-O 3.32Å; P351-F394 WeakPolarHBondContact CD-O 3.47Å; T354-F394 HydrophobicContact CG2-CB 4.23Å; T354-F394 HydrophobicContact CG2-CD1 3.51Å; T354-F394 HydrophobicContact CG2-CE1 4.28Å; T354-F394 HydrophobicContact CG2-CG 4.22Å; E358-F394 HydrophobicContact CB-CE1 4.17Å; E358-F394 HydrophobicContact CB-CZ 4.38Å; E358-F394 HydrophobicContact CG-CE1 4.07Å; E358-F394 HydrophobicContact CG-CZ 4.01Å; F359-F394 HydrophobicContact CB-CD1 4.18Å; F359-F394 HydrophobicContact CB-CD2 4.45Å; F359-F394 HydrophobicContact CB-CE1 3.92Å; F359-F394 HydrophobicContact CB-CE2 4.26Å; F359-F394 HydrophobicContact CB-CG 4.43Å; F359-F394 HydrophobicContact CB-CZ 3.98Å; F359-F394 HydrophobicContact CD2-CD1 4.47Å; F359-F394 AromaticContact CD2-CD2 3.34Å; F359-F394 HydrophobicContact CD2-CD2 3.34Å; F359-F394 AromaticContact CD2-CE2 3.48Å; F359-F394 HydrophobicContact CD2-CE2 3.48Å; F359-F394 VanDerWaalsContact CD2-CE2 3.48Å; F359-F394 AromaticContact CD2-CG 3.9Å; F359-F394 HydrophobicContact CD2-CG 3.9Å; F359-F394 HydrophobicContact CD2-CZ 4.1Å; F359-F394 AromaticContact CE2-CD2 3.79Å; F359-F394 HydrophobicContact CE2-CD2 3.79Å; F359-F394 HydrophobicContact CE2-CE2 4.25Å; F359-F394 HydrophobicContact CE2-CG 4.42Å; F359-F394 HydrophobicContact CG-CD1 4.46Å; F359-F394 HydrophobicContact CG-CD2 4.1Å; F359-F394 HydrophobicContact CG-CE2 4.24Å; F359-F394 HydrophobicContact CG-CG 4.23Å; F359-F394 HydrophobicContact CG-CZ 4.45Å; A362-F394 HydrophobicContact CB-CE2 3.82Å; A362-F394 HydrophobicContact CB-CZ 4.1Å; T390-F394 HydrophobicContact CG2-CD2 4.31Å; T390-F394 HydrophobicContact CG2-CE2 3.92Å; T390-F394 WeakPolarHBondContact O-CD2 3.21Å; A391-F394 CarbonylContact O-C 3.49Å; A391-F394 PolarHBondContact O-N 3.09Å; R392-F394 PolarHBondContact O-N 2.86Å; F394-M396 PolarHBondContact O-N 3.31Å; F394-M396 VanDerWaalsContact O-N 3.11Å
395N78Confident72Confident125 Ų12569.2 Ų69.267%0.66835%0.345SS*.THydrogen-bonded Turntrans53.931.3178.9-60.1-45.9000114.2P351 R392 E397P351-N395 HydrophobicContact CG-CB 4.04Å; R392-N395 PolarHBondContact O-N 3.41Å; N395-E397 PolarHBondContact O-N 2.89Å
396M76.8Confident72.1Confident42 Ų4270 Ų7021%0.20735%0.347CS..  trans-62.3131.5179.6-176.4175.4168.200111.7W349 V350 A391 F394W349-M396 HydrophobicContact CB-CE 4.31Å; W349-M396 HydrophobicContact CB-CG 4.43Å; W349-M396 HydrophobicContact CD2-CE 4.35Å; W349-M396 HydrophobicContact CE3-CE 3.49Å; W349-M396 VanDerWaalsContact CE3-CE 3.49Å; W349-M396 HydrophobicContact CZ3-CE 4.17Å; W349-M396 CarbonylContact O-C 3.43Å; W349-M396 VanDerWaalsContact O-CA 3.28Å; W349-M396 WeakPolarHBondContact O-CA 3.36Å; V350-M396 HydrophobicContact CG2-CB 3.96Å; V350-M396 HydrophobicContact CG2-CG 4.04Å; V350-M396 HydrophobicContact CG2-SD 4.46Å; A391-M396 HydrophobicContact CB-CB 4Å; A391-M396 HydrophobicContact CB-CG 4.4Å; A391-M396 HydrophobicContact CB-SD 3.57Å; A391-M396 VanDerWaalsContact CB-SD 3.57Å; A391-M396 WeakPolarHBondContact O-CB 3.42Å; A391-M396 PolarHBondContact O-N 2.8Å; F394-M396 PolarHBondContact O-N 3.31Å; F394-M396 VanDerWaalsContact O-N 3.11Å
397E68.8Low71.7Confident133 Ų13368.9 Ų68.962%0.62134%0.338SS*.  trans-75.8127.3171.6-68.7-166.2171.500110.9W349 N395 Q399W349-E397 PolarHBondContact O-N 2.93Å; N395-E397 PolarHBondContact O-N 2.89Å; E397-Q399 PolarHBondContact O-N 2.71Å
398V66.1Low71.4Confident79 Ų7966.5 Ų66.548%0.47933%0.326SS..  trans-81.8114.1-178.1-178.80000109.9F388 P400 V403F388-V398 HydrophobicContact CE2-CG2 3.83Å; F388-V398 HydrophobicContact CZ-CG2 4.4Å; V398-P400 WeakPolarHBondContact O-CD 2.97Å; V398-V403 HydrophobicContact CG1-CG2 3.4Å; V398-V403 VanDerWaalsContact CG1-CG2 3.4Å
399Q63.1Low71.6Confident71 Ų7164.7 Ų64.733%0.33232%0.319SS..  trans-84.2120176.7-62.5-61.5-19.300111.7W349 E397 Q401 L402 V403W349-Q399 HydrophobicContact CD2-CG 4.47Å; W349-Q399 HydrophobicContact CZ2-CG 4.44Å; E397-Q399 PolarHBondContact O-N 2.71Å; Q399-Q401 PolarHBondContact O-N 2.73Å; Q399-L402 HydrophobicContact CB-CB 4.31Å; Q399-L402 HydrophobicContact CB-CD1 3.74Å; Q399-L402 HydrophobicContact CB-CG 3.96Å; Q399-L402 HydrophobicContact CG-CD1 4.17Å; Q399-L402 PolarHBondContact O-N 2.88Å; Q399-L402 VanDerWaalsContact O-N 3.16Å; Q399-V403 PolarHBondContact O-N 2.81Å
400P62.7Low71.6Confident86 Ų8664.4 Ų64.456%0.55832%0.317SS*.Hα-helixtrans-59.1-40.1-174.5-27.235.2000115.1V398 L402 V403 L404V398-P400 WeakPolarHBondContact O-CD 2.97Å; P400-L402 PolarHBondContact O-N 3.41Å; P400-V403 WeakPolarHBondContact O-CB 3.47Å; P400-V403 PolarHBondContact O-N 3.23Å; P400-L404 PolarHBondContact O-N 3.05Å; P400-L404 VanDerWaalsContact O-N 3.14Å
401Q62.8Low71.4Confident79 Ų7966.5 Ų66.537%0.36932%0.323SS..Hα-helixtrans-63.4-32.3-179.6-67-178.5-1.600112.2S316 Q399 L404 L405S316-Q401 PolarHBondContact O-OE1 2.85Å; Q399-Q401 PolarHBondContact O-N 2.73Å; Q401-L404 WeakPolarHBondContact O-CB 3.31Å; Q401-L404 PolarHBondContact O-N 3.46Å; Q401-L405 PolarHBondContact O-N 3.18Å; Q401-L405 VanDerWaalsContact O-N 3.08Å
402L65.8Low71.4Confident15 Ų1567 Ų678%0.07933%0.325CS..Hα-helixtrans-79.6-30.1178.7-56.4179.4000112.1L317 L325 W349 Q399 P400 L404 L405 Q406L317-L402 HydrophobicContact CD2-CD2 4.2Å; L325-L402 HydrophobicContact CD1-CD2 3.88Å; L325-L402 HydrophobicContact CD2-CD2 4.13Å; L325-L402 HydrophobicContact CG-CD2 4.3Å; W349-L402 HydrophobicContact CE3-CD1 4.33Å; W349-L402 HydrophobicContact CH2-CD1 2.9Å; W349-L402 HydrophobicContact CH2-CG 4.26Å; W349-L402 HydrophobicContact CZ2-CD1 3.54Å; W349-L402 HydrophobicContact CZ3-CD1 3.34Å; Q399-L402 HydrophobicContact CB-CB 4.31Å; Q399-L402 HydrophobicContact CB-CD1 3.74Å; Q399-L402 HydrophobicContact CB-CG 3.96Å; Q399-L402 HydrophobicContact CG-CD1 4.17Å; Q399-L402 PolarHBondContact O-N 2.88Å; Q399-L402 VanDerWaalsContact O-N 3.16Å; P400-L402 PolarHBondContact O-N 3.41Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L402-L405 HydrophobicContact CD2-CD2 4.38Å; L402-L405 WeakPolarHBondContact O-CB 3.32Å; L402-L405 PolarHBondContact O-N 2.97Å; L402-Q406 VanDerWaalsContact O-CG 3.22Å; L402-Q406 WeakPolarHBondContact O-CG 3.1Å; L402-Q406 PolarHBondContact O-N 3.24Å
403V67Low71.4Confident58 Ų5861.8 Ų61.835%0.35231%0.306SS..Hα-helixtrans-62.4-40.4169.6177.30000110.6V398 Q399 P400 Q406 K407V398-V403 HydrophobicContact CG1-CG2 3.4Å; V398-V403 VanDerWaalsContact CG1-CG2 3.4Å; Q399-V403 PolarHBondContact O-N 2.81Å; P400-V403 WeakPolarHBondContact O-CB 3.47Å; P400-V403 PolarHBondContact O-N 3.23Å; V403-Q406 WeakPolarHBondContact O-CB 3.12Å; V403-Q406 PolarHBondContact O-N 3.42Å; V403-K407 PolarHBondContact O-N 3.26Å; V403-K407 VanDerWaalsContact O-N 3.13Å
404L67.3Low71.3Confident62 Ų6254.7 Ų54.733%0.32529%0.286SS..Hα-helixtrans-62.3-44.9172.2-67.8174.5000111.5A287 P400 Q401 L402 Q406 K407 T408A287-L404 HydrophobicContact CB-CB 4.35Å; P400-L404 PolarHBondContact O-N 3.05Å; P400-L404 VanDerWaalsContact O-N 3.14Å; Q401-L404 WeakPolarHBondContact O-CB 3.31Å; Q401-L404 PolarHBondContact O-N 3.46Å; L402-L404 VanDerWaalsContact C-N 3.3Å; L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 3.07Å; L404-K407 WeakPolarHBondContact O-CB 3.25Å; L404-K407 PolarHBondContact O-N 3.07Å; L404-K407 VanDerWaalsContact O-N 3.15Å; L404-T408 PolarHBondContact O-N 3.07Å; L404-T408 VanDerWaalsContact O-N 3.12Å; L404-T408 PolarHBondContact O-OG1 3.04Å
405L70.8Confident70.9Confident11 Ų1154.4 Ų54.46%0.05829%0.286CS..Hα-helixtrans-59.3-39.9177.1-174.964.6000112.4F275 V279 F285 L325 Q401 L402 T408 L409F275-L405 HydrophobicContact CE2-CD1 3.63Å; F275-L405 HydrophobicContact CE2-CG 4.5Å; F275-L405 HydrophobicContact CZ-CD1 3.65Å; F275-L405 HydrophobicContact CZ-CG 4.2Å; V279-L405 HydrophobicContact CG1-CD1 4.36Å; V279-L405 HydrophobicContact CG1-CD2 4.41Å; V279-L405 HydrophobicContact CG2-CD1 3.45Å; V279-L405 VanDerWaalsContact CG2-CD1 3.45Å; F285-L405 HydrophobicContact CD2-CD1 4.29Å; F285-L405 HydrophobicContact CE1-CD1 4.33Å; F285-L405 HydrophobicContact CE2-CB 4.34Å; F285-L405 HydrophobicContact CE2-CD1 4.11Å; F285-L405 HydrophobicContact CG-CD1 4.49Å; F285-L405 HydrophobicContact CZ-CB 4.1Å; F285-L405 HydrophobicContact CZ-CD1 4.12Å; L325-L405 HydrophobicContact CD1-CD2 3.68Å; L325-L405 HydrophobicContact CD2-CD2 4.29Å; Q401-L405 PolarHBondContact O-N 3.18Å; Q401-L405 VanDerWaalsContact O-N 3.08Å; L402-L405 HydrophobicContact CD2-CD2 4.38Å; L402-L405 WeakPolarHBondContact O-CB 3.32Å; L402-L405 PolarHBondContact O-N 2.97Å; L405-T408 PolarHBondContact O-N 2.99Å; L405-L409 PolarHBondContact O-N 2.91Å
406Q69.4Low71.1Confident89 Ų8948.6 Ų48.642%0.41626%0.256SS..Hα-helixtrans-61.7-42.9175.1-72.9165.6-1.100112L402 V403 L404 T408 L409 L410L402-Q406 VanDerWaalsContact O-CG 3.22Å; L402-Q406 WeakPolarHBondContact O-CG 3.1Å; L402-Q406 PolarHBondContact O-N 3.24Å; V403-Q406 WeakPolarHBondContact O-CB 3.12Å; V403-Q406 PolarHBondContact O-N 3.42Å; L404-Q406 VanDerWaalsContact C-N 3.29Å; L404-Q406 PolarHBondContact O-N 3.07Å; Q406-T408 VanDerWaalsContact C-N 3.31Å; Q406-T408 PolarHBondContact O-N 3.11Å; Q406-L409 PolarHBondContact O-N 3.06Å; Q406-L410 PolarHBondContact O-N 3.5Å
407K69.4Low71.2Confident50 Ų5050.1 Ų50.122%0.21726%0.259CS..Hα-helixtrans-58.3-45.3175.7-172.8-169.3175-150.40110.6D288 V403 L404 L410 Y411D288-K407 IonicContact OD1-NZ 3.56Å; D288-K407 PolarHBondContact OD1-NZ 3.03Å; V403-K407 PolarHBondContact O-N 3.26Å; V403-K407 VanDerWaalsContact O-N 3.13Å; L404-K407 WeakPolarHBondContact O-CB 3.25Å; L404-K407 PolarHBondContact O-N 3.07Å; L404-K407 VanDerWaalsContact O-N 3.15Å; K407-L410 PolarHBondContact O-N 2.91Å; K407-Y411 HydrophobicContact CD-CE2 4.08Å; K407-Y411 VanDerWaalsContact CE-CE2 3.49Å; K407-Y411 WeakPolarHBondContact CE-OH 3.35Å; K407-Y411 HydrophobicContact CG-CD2 4.39Å; K407-Y411 HydrophobicContact CG-CE2 3.7Å; K407-Y411 WeakPolarHBondContact O-CD2 3.43Å; K407-Y411 PolarHBondContact O-N 3.24Å
408T72Confident71.8Confident1 Ų148.8 Ų48.81%0.00625%0.253CS..Hα-helixtrans-61.3-44.7175.8-54.90000111.9F275 A287 L404 L405 Q406 L410 Y411 V412F275-T408 HydrophobicContact CD2-CG2 3.71Å; F275-T408 HydrophobicContact CE2-CG2 3.83Å; A287-T408 WeakPolarHBondContact CA-OG1 3.33Å; A287-T408 PolarHBondContact O-OG1 3.49Å; L404-T408 PolarHBondContact O-N 3.07Å; L404-T408 VanDerWaalsContact O-N 3.12Å; L404-T408 PolarHBondContact O-OG1 3.04Å; L405-T408 PolarHBondContact O-N 2.99Å; Q406-T408 VanDerWaalsContact C-N 3.31Å; Q406-T408 PolarHBondContact O-N 3.11Å; T408-L410 VanDerWaalsContact C-N 3.31Å; T408-L410 PolarHBondContact O-N 2.88Å; T408-Y411 PolarHBondContact O-N 3.46Å; T408-Y411 VanDerWaalsContact O-N 3.1Å; T408-V412 WeakPolarHBondContact O-CG2 3.25Å; T408-V412 PolarHBondContact O-N 2.88Å
409L74.4Confident72.7Confident38 Ų3845.6 Ų45.620%0.19923%0.233CC..Hα-helixtrans-60.3-40.7178.6-177.264.4000112.1F275 L405 Q406 Y411 V412 E413F275-L409 HydrophobicContact CD1-CD1 4.39Å; F275-L409 HydrophobicContact CE1-CD1 3.89Å; F275-L409 HydrophobicContact CE2-CB 4.38Å; F275-L409 HydrophobicContact CZ-CB 4.09Å; F275-L409 HydrophobicContact CZ-CD1 4.07Å; L405-L409 PolarHBondContact O-N 2.91Å; Q406-L409 PolarHBondContact O-N 3.06Å; L409-Y411 VanDerWaalsContact C-N 3.3Å; L409-Y411 PolarHBondContact O-N 3.35Å; L409-V412 PolarHBondContact O-N 3.03Å; L409-E413 WeakPolarHBondContact O-CB 3.4Å; L409-E413 PolarHBondContact O-N 3.29Å
410L73.8Confident73.9Confident68 Ų6845.5 Ų45.536%0.35623%0.23SC..Hα-helixtrans-61.8-36.1174.8-79.3174.7000112.7F380 L384 Q406 K407 T408 G414F380-L410 HydrophobicContact CB-CD2 4.49Å; L384-L410 HydrophobicContact CD1-CD1 4.03Å; L384-L410 HydrophobicContact CD1-CD2 3.54Å; L384-L410 HydrophobicContact CD1-CG 3.64Å; Q406-L410 PolarHBondContact O-N 3.5Å; K407-L410 PolarHBondContact O-N 2.91Å; T408-L410 VanDerWaalsContact C-N 3.31Å; T408-L410 PolarHBondContact O-N 2.88Å; L410-G414 PolarHBondContact O-N 3.02Å
411Y75.8Confident74.9Confident66 Ų6644 Ų4426%0.25922%0.22SC..Hα-helixtrans-70.7-43.5175.3-65.6-40.7000112.6M289 H290 K407 T408 L409 E413 G414 V415M289-Y411 WeakPolarHBondContact O-CB 3.42Å; H290-Y411 HydrophobicContact CB-CD1 3.89Å; H290-Y411 HydrophobicContact CB-CD2 3.78Å; H290-Y411 HydrophobicContact CB-CE1 3.78Å; H290-Y411 HydrophobicContact CB-CE2 3.64Å; H290-Y411 HydrophobicContact CB-CG 3.91Å; K407-Y411 HydrophobicContact CD-CE2 4.08Å; K407-Y411 VanDerWaalsContact CE-CE2 3.49Å; K407-Y411 WeakPolarHBondContact CE-OH 3.35Å; K407-Y411 HydrophobicContact CG-CD2 4.39Å; K407-Y411 HydrophobicContact CG-CE2 3.7Å; K407-Y411 WeakPolarHBondContact O-CD2 3.43Å; K407-Y411 PolarHBondContact O-N 3.24Å; T408-Y411 PolarHBondContact O-N 3.46Å; T408-Y411 VanDerWaalsContact O-N 3.1Å; L409-Y411 VanDerWaalsContact C-N 3.3Å; L409-Y411 PolarHBondContact O-N 3.35Å; Y411-E413 PolarHBondContact O-N 2.93Å; Y411-G414 PolarHBondContact O-N 2.97Å; Y411-V415 WeakPolarHBondContact O-CB 3.38Å; Y411-V415 VanDerWaalsContact O-CG2 3.29Å; Y411-V415 WeakPolarHBondContact O-CG2 3.49Å; Y411-V415 PolarHBondContact O-N 3.15Å
412V75.7Confident76Confident23 Ų2345.9 Ų45.914%0.13923%0.229CC..Hα-helixtrans-58.5-42.7175.2174.70000110.2V272 F275 T408 L409 G416V272-V412 HydrophobicContact CG2-CG1 4.4Å; F275-V412 HydrophobicContact CB-CG2 3.99Å; F275-V412 HydrophobicContact CD2-CG2 4.14Å; F275-V412 HydrophobicContact CG-CG2 4.24Å; T408-V412 WeakPolarHBondContact O-CG2 3.25Å; T408-V412 PolarHBondContact O-N 2.88Å; L409-V412 PolarHBondContact O-N 3.03Å; V412-G416 PolarHBondContact O-N 3.13Å
413E75.7Confident76.8Confident15 Ų1545.3 Ų45.37%0.0723%0.226CC..Hα-helixtrans-64.7-48.6175.5-179.6-108.7-155.500112.6L375 F380 L409 Y411 V415 G416 R417L375-E413 HydrophobicContact CD1-CG 3.6Å; L375-E413 HydrophobicContact CD2-CG 4.37Å; L375-E413 HydrophobicContact CG-CG 4.31Å; F380-E413 HydrophobicContact CB-CG 4.18Å; F380-E413 VanDerWaalsContact CB-OE1 3.26Å; F380-E413 WeakPolarHBondContact CB-OE1 3.5Å; F380-E413 HydrophobicContact CD2-CG 3.65Å; F380-E413 WeakPolarHBondContact CD2-OE1 3Å; F380-E413 HydrophobicContact CE2-CG 4.33Å; F380-E413 HydrophobicContact CG-CG 4.02Å; L409-E413 WeakPolarHBondContact O-CB 3.4Å; L409-E413 PolarHBondContact O-N 3.29Å; Y411-E413 PolarHBondContact O-N 2.93Å; E413-V415 VanDerWaalsContact C-N 3.32Å; E413-V415 PolarHBondContact O-N 3.39Å; E413-G416 PolarHBondContact O-N 3.37Å; E413-R417 WeakPolarHBondContact O-CB 3.36Å; E413-R417 PolarHBondContact O-N 3.27Å; E413-R417 IonicContact OE1-CZ 3.75Å; E413-R417 IonicContact OE1-NH1 2.77Å; E413-R417 PolarHBondContact OE1-NH1 2.96Å; E413-R417 IonicContact OE1-NH2 2.87Å; E413-R417 PolarHBondContact OE1-NH2 2.59Å; E413-R417 IonicContact OE2-CZ 3.14Å; E413-R417 IonicContact OE2-NH1 3.53Å; E413-R417 PolarHBondContact OE2-NH1 3.29Å; E413-R417 IonicContact OE2-NH2 3.74Å
414G76.9Confident77.5Confident24 Ų2443.6 Ų43.625%0.24722%0.215CC..Hα-helixtrans-59.9-43.9179.800000112L410 Y411 Q418L410-G414 PolarHBondContact O-N 3.02Å; Y411-G414 PolarHBondContact O-N 2.97Å; G414-Q418 WeakPolarHBondContact O-CG 3.29Å; G414-Q418 PolarHBondContact O-N 2.7Å
415V77.2Confident77.8Confident7 Ų741.7 Ų41.74%0.04221%0.205CC..Hα-helixtrans-63.8-48.5173.4170.30000110.5V251 P291 Y411 E413 R417 Q418 L419V251-V415 HydrophobicContact CG1-CG2 4.23Å; V251-V415 HydrophobicContact CG2-CG1 3.63Å; P291-V415 HydrophobicContact CG-CG2 3.81Å; Y411-V415 WeakPolarHBondContact O-CB 3.38Å; Y411-V415 VanDerWaalsContact O-CG2 3.29Å; Y411-V415 WeakPolarHBondContact O-CG2 3.49Å; Y411-V415 PolarHBondContact O-N 3.15Å; E413-V415 VanDerWaalsContact C-N 3.32Å; E413-V415 PolarHBondContact O-N 3.39Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 2.85Å; V415-Q418 PolarHBondContact O-N 3.31Å; V415-Q418 VanDerWaalsContact O-N 3.07Å; V415-L419 HydrophobicContact CG1-CD1 3.47Å; V415-L419 VanDerWaalsContact CG1-CD1 3.47Å; V415-L419 HydrophobicContact CG1-CG 4.06Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.22Å; V415-L419 PolarHBondContact O-N 2.87Å
416G81.3Confident78.1Confident4 Ų442 Ų424%0.04121%0.206CC..Hα-helixtrans-56.8-41178.500000112.6V412 E413 Q418 L419 Y420V412-G416 PolarHBondContact O-N 3.13Å; E413-G416 PolarHBondContact O-N 3.37Å; G416-Q418 PolarHBondContact O-N 3.4Å; G416-L419 PolarHBondContact O-N 3.14Å; G416-Y420 CarbonylContact O-C 3.49Å; G416-Y420 VanDerWaalsContact O-C 3.23Å; G416-Y420 PolarHBondContact O-N 3.48Å; G416-Y420 VanDerWaalsContact O-O 3.13Å
417R80Confident78.5Confident74 Ų7445.1 Ų45.128%0.27922%0.218SC..Hα-helixtrans-65.5-37.9176.7-177.3-180-68.1104.40.9112.1L375 I378 E413 V415 P421L375-R417 HydrophobicContact CD2-CB 4.07Å; L375-R417 HydrophobicContact CG-CB 4.26Å; L375-R417 PolarHBondContact O-NE 2.78Å; L375-R417 PolarHBondContact O-NH2 3.1Å; L375-R417 VanDerWaalsContact O-NH2 3.08Å; I378-R417 PolarHBondContact O-NH2 3.45Å; E413-R417 WeakPolarHBondContact O-CB 3.36Å; E413-R417 PolarHBondContact O-N 3.27Å; E413-R417 IonicContact OE1-CZ 3.75Å; E413-R417 IonicContact OE1-NH1 2.77Å; E413-R417 PolarHBondContact OE1-NH1 2.96Å; E413-R417 IonicContact OE1-NH2 2.87Å; E413-R417 PolarHBondContact OE1-NH2 2.59Å; E413-R417 IonicContact OE2-CZ 3.14Å; E413-R417 IonicContact OE2-NH1 3.53Å; E413-R417 PolarHBondContact OE2-NH1 3.29Å; E413-R417 IonicContact OE2-NH2 3.74Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 2.85Å; R417-P421 VanDerWaalsContact O-CG 3.32Å; R417-P421 WeakPolarHBondContact O-CG 3.46Å
418Q80.1Confident79.1Confident105 Ų10543.9 Ų43.949%0.49122%0.215SC..Hα-helixtrans-71.5-38.9178.3-72.8177.7-9.100112.1G414 V415 G416G414-Q418 WeakPolarHBondContact O-CG 3.29Å; G414-Q418 PolarHBondContact O-N 2.7Å; V415-Q418 PolarHBondContact O-N 3.31Å; V415-Q418 VanDerWaalsContact O-N 3.07Å; G416-Q418 PolarHBondContact O-N 3.4Å
419L85.8Confident79.4Confident11 Ų1144 Ų446%0.05822%0.215CC..Hα-helixtrans-81.9-48-176.2-62.7177.4000112.7V251 L257 M264 L267 A268 V415 G416V251-L419 HydrophobicContact CG2-CD1 3.95Å; V251-L419 HydrophobicContact CG2-CD2 4.32Å; L257-L419 HydrophobicContact CD1-CD2 3.66Å; M264-L419 HydrophobicContact SD-CD2 4.02Å; L267-L419 HydrophobicContact CD2-CD1 3.68Å; L267-L419 HydrophobicContact CD2-CD2 4.14Å; L267-L419 HydrophobicContact CG-CD1 3.85Å; A268-L419 HydrophobicContact CB-CB 4.34Å; V415-L419 HydrophobicContact CG1-CD1 3.47Å; V415-L419 VanDerWaalsContact CG1-CD1 3.47Å; V415-L419 HydrophobicContact CG1-CG 4.06Å; V415-L419 VanDerWaalsContact O-CG 3.3Å; V415-L419 WeakPolarHBondContact O-CG 3.22Å; V415-L419 PolarHBondContact O-N 2.87Å; G416-L419 PolarHBondContact O-N 3.14Å
420Y87.5Confident79.6Confident69 Ų6945.6 Ų45.627%0.27122%0.221SC..  trans-147.787.3-176.8-170.8-114.6000110.7K265 G416 Q422 L423K265-Y420 HydrophobicContact CB-CD1 4.39Å; K265-Y420 HydrophobicContact CB-CD2 4.12Å; K265-Y420 HydrophobicContact CB-CE1 4.42Å; K265-Y420 HydrophobicContact CB-CE2 4.12Å; K265-Y420 HydrophobicContact CB-CG 4.26Å; K265-Y420 HydrophobicContact CD-CE1 4.25Å; K265-Y420 HydrophobicContact CG-CD1 4.1Å; K265-Y420 HydrophobicContact CG-CE1 3.85Å; K265-Y420 HydrophobicContact CG-CE2 4.3Å; K265-Y420 HydrophobicContact CG-CG 4.47Å; G416-Y420 CarbonylContact O-C 3.49Å; G416-Y420 VanDerWaalsContact O-C 3.23Å; G416-Y420 PolarHBondContact O-N 3.48Å; G416-Y420 VanDerWaalsContact O-O 3.13Å; Y420-Q422 HydrophobicContact CD1-CB 4.47Å; Y420-Q422 HydrophobicContact CE1-CB 3.85Å; Y420-Q422 HydrophobicContact CE2-CB 4.2Å; Y420-Q422 PolarHBondContact O-N 3.39Å; Y420-L423 HydrophobicContact CD1-CB 3.82Å; Y420-L423 HydrophobicContact CD1-CD1 4.24Å; Y420-L423 VanDerWaalsContact CD1-N 3.33Å; Y420-L423 VanDerWaalsContact O-CB 3.25Å; Y420-L423 WeakPolarHBondContact O-CB 3.44Å; Y420-L423 PolarHBondContact O-N 3.28Å
421P84.7Confident80Confident54 Ų5445.9 Ų45.935%0.35123%0.227SC..THydrogen-bonded Turntrans-59.7-22.4-176.2-18.424.4000114.9L375 A376 R417 L423L375-P421 PolarHBondContact N-O 2.99Å; A376-P421 HydrophobicContact CB-CB 3.88Å; A376-P421 PolarHBondContact N-O 3.24Å; R417-P421 VanDerWaalsContact O-CG 3.32Å; R417-P421 WeakPolarHBondContact O-CG 3.46Å; P421-L423 PolarHBondContact O-N 2.87Å
422Q84.3Confident80.1Confident119 Ų11945 Ų4556%0.55622%0.224SC*.THydrogen-bonded Turntrans-84.66.3177.8-58.8-62.1-10.700113Y420 D424Y420-Q422 HydrophobicContact CD1-CB 4.47Å; Y420-Q422 HydrophobicContact CE1-CB 3.85Å; Y420-Q422 HydrophobicContact CE2-CB 4.2Å; Y420-Q422 PolarHBondContact O-N 3.39Å; Q422-D424 PolarHBondContact O-N 3.42Å
423L83.8Confident80.1Confident3 Ų343.9 Ų43.92%0.01622%0.218CC..  trans-61.4123.6177-171.569.4000109.7A268 E269 V272 L375 Y420 P421 L425A268-L423 HydrophobicContact CB-CD1 4.33Å; A268-L423 HydrophobicContact CB-CD2 4.08Å; E269-L423 HydrophobicContact CG-CD1 3.72Å; V272-L423 HydrophobicContact CG2-CD2 3.79Å; L375-L423 WeakPolarHBondContact CB-O 3.28Å; L375-L423 PolarHBondContact N-O 3.37Å; Y420-L423 HydrophobicContact CD1-CB 3.82Å; Y420-L423 HydrophobicContact CD1-CD1 4.24Å; Y420-L423 VanDerWaalsContact CD1-N 3.33Å; Y420-L423 VanDerWaalsContact O-CB 3.25Å; Y420-L423 WeakPolarHBondContact O-CB 3.44Å; Y420-L423 PolarHBondContact O-N 3.28Å; P421-L423 PolarHBondContact O-N 2.87Å; L423-L425 HydrophobicContact CD2-CD2 3.77Å; L423-L425 HydrophobicContact CG-CD2 4.45Å
424D80.6Confident80.3Confident23 Ų2347.6 Ų47.612%0.12324%0.235CC..  trans-91.7101.9168.6-173.9-29.1000107.9Q422 W426 K427 T428Q422-D424 PolarHBondContact O-N 3.42Å; D424-W426 PolarHBondContact O-N 3.39Å; D424-W426 WeakPolarHBondContact OD1-CA 3.37Å; D424-W426 VanDerWaalsContact OD1-CB 3.25Å; D424-W426 WeakPolarHBondContact OD1-CB 3.48Å; D424-W426 PolarHBondContact OD1-N 2.83Å; D424-K427 HydrophobicContact CB-CB 4.07Å; D424-K427 HydrophobicContact CB-CD 4.12Å; D424-K427 HydrophobicContact CB-CG 4.27Å; D424-K427 PolarHBondContact O-N 2.91Å; D424-K427 PolarHBondContact OD1-N 3.34Å; D424-K427 WeakPolarHBondContact OD2-CD 3.45Å; D424-K427 WeakPolarHBondContact OD2-CE 3.48Å; D424-K427 VanDerWaalsContact OD2-CG 3.3Å; D424-K427 WeakPolarHBondContact OD2-CG 3.12Å; D424-K427 IonicContact OD2-NZ 3.38Å; D424-K427 PolarHBondContact OD2-NZ 3.2Å; D424-T428 WeakPolarHBondContact O-CB 3.46Å; D424-T428 PolarHBondContact O-N 3.4Å; D424-T428 VanDerWaalsContact O-N 3.11Å; D424-T428 PolarHBondContact O-OG1 3.44Å
425L75.1Confident80.4Confident22 Ų2249 Ų4912%0.11524%0.241CC..Hα-helixtrans-60.1-32.6177.9-69.2176.1000111.5V272 L375 F380 L423 T428 A429V272-L425 HydrophobicContact CG2-CD2 3.46Å; V272-L425 VanDerWaalsContact CG2-CD2 3.46Å; L375-L425 HydrophobicContact CD1-CD1 3.56Å; L375-L425 HydrophobicContact CD1-CG 4.14Å; F380-L425 HydrophobicContact CD2-CD1 4.47Å; F380-L425 HydrophobicContact CE1-CD1 4.26Å; F380-L425 HydrophobicContact CE2-CD1 3.51Å; F380-L425 HydrophobicContact CZ-CD1 3.38Å; L423-L425 HydrophobicContact CD2-CD2 3.77Å; L423-L425 HydrophobicContact CG-CD2 4.45Å; L425-T428 PolarHBondContact O-N 2.98Å; L425-A429 WeakPolarHBondContact O-CB 3.41Å; L425-A429 PolarHBondContact O-N 2.92Å
426W75.7Confident80.4Confident17 Ų1749.8 Ų49.86%0.06424%0.244CC..Hα-helixtrans-68.1-50.6-179.4-70.7-117.9000110.5F332 F333 I370 F371 I378 F380 D424 T428 K430F332-W426 HydrophobicContact CE1-CZ2 4.05Å; F332-W426 AromaticContact CE1-NE1 3.8Å; F332-W426 HydrophobicContact CZ-CZ2 4.24Å; F333-W426 HydrophobicContact CD1-CB 4.2Å; F333-W426 AromaticContact CD1-CD1 3.43Å; F333-W426 VanDerWaalsContact CD1-CD1 3.43Å; F333-W426 AromaticContact CD1-CG 3.94Å; F333-W426 HydrophobicContact CD1-CG 3.94Å; F333-W426 HydrophobicContact CE1-CB 4.02Å; F333-W426 AromaticContact CE1-CD1 3.6Å; F333-W426 HydrophobicContact CE1-CD2 4.39Å; F333-W426 AromaticContact CE1-CG 3.73Å; F333-W426 HydrophobicContact CE1-CG 3.73Å; I370-W426 HydrophobicContact CD1-CH2 4.43Å; I370-W426 HydrophobicContact CD1-CZ2 4.31Å; I370-W426 HydrophobicContact CG1-CZ2 4.49Å; F371-W426 AromaticContact CD2-CD1 3.88Å; F371-W426 AromaticContact CD2-NE1 3.48Å; F371-W426 AromaticContact CE2-CD1 3.55Å; F371-W426 AromaticContact CE2-NE1 3.6Å; I378-W426 HydrophobicContact CD1-CH2 3.5Å; I378-W426 VanDerWaalsContact CD1-CH2 3.5Å; I378-W426 HydrophobicContact CD1-CZ3 3.38Å; F380-W426 HydrophobicContact CE1-CH2 4.4Å; F380-W426 HydrophobicContact CE2-CH2 4.29Å; F380-W426 HydrophobicContact CE2-CZ3 4.37Å; F380-W426 AromaticContact CZ-CH2 3.59Å; F380-W426 HydrophobicContact CZ-CH2 3.59Å; F380-W426 AromaticContact CZ-CZ3 3.88Å; F380-W426 HydrophobicContact CZ-CZ3 3.88Å; D424-W426 PolarHBondContact O-N 3.39Å; D424-W426 WeakPolarHBondContact OD1-CA 3.37Å; D424-W426 VanDerWaalsContact OD1-CB 3.25Å; D424-W426 WeakPolarHBondContact OD1-CB 3.48Å; D424-W426 PolarHBondContact OD1-N 2.83Å; W426-T428 PolarHBondContact O-N 3.43Å; W426-K430 WeakPolarHBondContact O-CB 3.38Å; W426-K430 PolarHBondContact O-N 3.34Å
427K79Confident80.1Confident155 Ų15551.7 Ų51.767%0.67425%0.252SS*.Hα-helixtrans-64-31.1178.5-72.4176.3-170.8149.90112.9D424 P431D424-K427 HydrophobicContact CB-CB 4.07Å; D424-K427 HydrophobicContact CB-CD 4.12Å; D424-K427 HydrophobicContact CB-CG 4.27Å; D424-K427 PolarHBondContact O-N 2.91Å; D424-K427 PolarHBondContact OD1-N 3.34Å; D424-K427 WeakPolarHBondContact OD2-CD 3.45Å; D424-K427 WeakPolarHBondContact OD2-CE 3.48Å; D424-K427 VanDerWaalsContact OD2-CG 3.3Å; D424-K427 WeakPolarHBondContact OD2-CG 3.12Å; D424-K427 IonicContact OD2-NZ 3.38Å; D424-K427 PolarHBondContact OD2-NZ 3.2Å; K427-P431 WeakPolarHBondContact O-CD 3.48Å; K427-P431 WeakPolarHBondContact O-CG 3.46Å
428T81.4Confident80Confident24 Ų2455.4 Ų55.415%0.14727%0.27CS..Hα-helixtrans-79.8-43.1-178.8-50.20000112.1E269 V272 D424 L425 W426E269-T428 HydrophobicContact CB-CG2 4.11Å; E269-T428 HydrophobicContact CG-CG2 4.19Å; V272-T428 HydrophobicContact CB-CG2 3.88Å; V272-T428 HydrophobicContact CG1-CG2 3.94Å; V272-T428 HydrophobicContact CG2-CG2 4.35Å; D424-T428 WeakPolarHBondContact O-CB 3.46Å; D424-T428 PolarHBondContact O-N 3.4Å; D424-T428 VanDerWaalsContact O-N 3.11Å; D424-T428 PolarHBondContact O-OG1 3.44Å; L425-T428 PolarHBondContact O-N 2.98Å; W426-T428 PolarHBondContact O-N 3.43Å
429A78.6Confident79.7Confident3 Ų354.4 Ų54.43%0.02527%0.268CS..Hα-helixtrans-83.9-36-174.300000114.1V272 F276 F333 L425 F432 L433V272-A429 HydrophobicContact CG1-CB 4.07Å; F276-A429 HydrophobicContact CD2-CB 3.91Å; F276-A429 HydrophobicContact CE1-CB 4.27Å; F276-A429 HydrophobicContact CE2-CB 3.27Å; F276-A429 HydrophobicContact CZ-CB 3.5Å; F333-A429 HydrophobicContact CE2-CB 4.38Å; F333-A429 HydrophobicContact CZ-CB 3.89Å; L425-A429 WeakPolarHBondContact O-CB 3.41Å; L425-A429 PolarHBondContact O-N 2.92Å; A429-F432 WeakPolarHBondContact O-CB 3.21Å; A429-F432 PolarHBondContact O-N 2.88Å; A429-F432 VanDerWaalsContact O-N 3.16Å; A429-L433 PolarHBondContact O-N 3.02Å; A429-L433 VanDerWaalsContact O-N 3.15Å
430K78.7Confident78.9Confident71 Ų7158.1 Ų58.131%0.30929%0.286SS..Hα-helixtrans-55.8-48.3-173.7177.9173.9-179.21670113.2N334 W426 F432 L433 E434N334-K430 PolarHBondContact OD1-NZ 3.21Å; W426-K430 WeakPolarHBondContact O-CB 3.38Å; W426-K430 PolarHBondContact O-N 3.34Å; K430-F432 VanDerWaalsContact C-N 3.26Å; K430-F432 PolarHBondContact O-N 3.44Å; K430-L433 PolarHBondContact O-N 3.4Å; K430-E434 WeakPolarHBondContact CE-OE1 3.41Å; K430-E434 HydrophobicContact CG-CG 4.36Å; K430-E434 IonicContact NZ-OE1 3.34Å; K430-E434 WeakPolarHBondContact O-CG 3.43Å; K430-E434 PolarHBondContact O-N 3.46Å
431P81.6Confident78Confident75 Ų7559.5 Ų59.549%0.48730%0.301SS..Hα-helixtrans-61.1-36-179.9-22.934.3000112.9K427 S435K427-P431 WeakPolarHBondContact O-CD 3.48Å; K427-P431 WeakPolarHBondContact O-CG 3.46Å; P431-S435 WeakPolarHBondContact O-CB 3.18Å; P431-S435 PolarHBondContact O-N 3.04Å; P431-S435 PolarHBondContact O-OG 2.62Å
432F77.6Confident77.4Confident46 Ų4657.8 Ų57.820%0.20229%0.293CS..Hα-helixtrans-64.4-48.7178.1-178-83.6000111.1F276 T277 F280 A429 K430 E434 S435 W436F276-F432 HydrophobicContact CB-CD1 3.47Å; F276-F432 VanDerWaalsContact CB-CD1 3.47Å; F276-F432 HydrophobicContact CB-CE1 3.6Å; F276-F432 HydrophobicContact CB-CG 4.07Å; F276-F432 HydrophobicContact CB-CZ 4.3Å; F276-F432 HydrophobicContact CD1-CD1 4.35Å; F276-F432 HydrophobicContact CG-CD1 4.19Å; F276-F432 WeakPolarHBondContact O-CE1 3.44Å; T277-F432 WeakPolarHBondContact OG1-CE2 3.42Å; F280-F432 HydrophobicContact CB-CE1 4.15Å; F280-F432 HydrophobicContact CD2-CE1 4.44Å; A429-F432 WeakPolarHBondContact O-CB 3.21Å; A429-F432 PolarHBondContact O-N 2.88Å; A429-F432 VanDerWaalsContact O-N 3.16Å; K430-F432 VanDerWaalsContact C-N 3.26Å; K430-F432 PolarHBondContact O-N 3.44Å; F432-E434 PolarHBondContact O-N 3.03Å; F432-S435 PolarHBondContact O-N 3.16Å; F432-S435 PolarHBondContact O-OG 2.87Å; F432-W436 WeakPolarHBondContact O-CB 3.4Å; F432-W436 PolarHBondContact O-N 3.44Å
433L75.5Confident76.9Confident1 Ų158.5 Ų58.51%0.00530%0.299CS..Hα-helixtrans-64.8-40.9180-73.2167.8000112.9F276 F280 F329 I330 F333 A429 K430 S435 W436 I437F276-L433 HydrophobicContact CD1-CD1 4.26Å; F276-L433 HydrophobicContact CD1-CD2 3.77Å; F276-L433 HydrophobicContact CD1-CG 3.9Å; F276-L433 HydrophobicContact CE1-CD1 3.71Å; F276-L433 HydrophobicContact CE1-CD2 3.87Å; F276-L433 HydrophobicContact CE1-CG 3.87Å; F276-L433 HydrophobicContact CZ-CD1 4.42Å; F280-L433 HydrophobicContact CD1-CD2 4.37Å; F280-L433 HydrophobicContact CD2-CD2 3.71Å; F280-L433 HydrophobicContact CE1-CD2 4.2Å; F280-L433 HydrophobicContact CE2-CD2 3.51Å; F280-L433 HydrophobicContact CG-CD2 4.16Å; F280-L433 HydrophobicContact CZ-CD2 3.77Å; F329-L433 HydrophobicContact CB-CD1 3.65Å; F329-L433 HydrophobicContact CB-CD2 4.43Å; F329-L433 HydrophobicContact CG-CD1 4.21Å; I330-L433 HydrophobicContact CG1-CB 4.3Å; F333-L433 HydrophobicContact CD2-CD1 3.62Å; F333-L433 HydrophobicContact CE2-CD1 3.23Å; F333-L433 HydrophobicContact CZ-CD1 4.35Å; A429-L433 PolarHBondContact O-N 3.02Å; A429-L433 VanDerWaalsContact O-N 3.15Å; K430-L433 PolarHBondContact O-N 3.4Å; L433-S435 VanDerWaalsContact C-N 3.35Å; L433-W436 PolarHBondContact O-N 3.43Å; L433-I437 PolarHBondContact O-N 3.34Å
434E81Confident76.6Confident92 Ų9261.9 Ų61.943%0.4332%0.321SS..Hα-helixtrans-62.5-43.3175.7-73.1179.1170.700111.4K430 F432 W436 I437 K438K430-E434 WeakPolarHBondContact CE-OE1 3.41Å; K430-E434 HydrophobicContact CG-CG 4.36Å; K430-E434 IonicContact NZ-OE1 3.34Å; K430-E434 WeakPolarHBondContact O-CG 3.43Å; K430-E434 PolarHBondContact O-N 3.46Å; F432-E434 PolarHBondContact O-N 3.03Å; E434-W436 VanDerWaalsContact C-N 3.32Å; E434-W436 PolarHBondContact O-N 3.24Å; E434-I437 PolarHBondContact O-N 2.99Å; E434-K438 WeakPolarHBondContact O-CB 3.3Å; E434-K438 PolarHBondContact O-N 2.91Å
435S79.6Confident76.3Confident55 Ų5561.4 Ų61.439%0.38532%0.321SS..Hα-helixtrans-61.7-42.1175.475.60000111.7P431 F432 L433 K438 D439P431-S435 WeakPolarHBondContact O-CB 3.18Å; P431-S435 PolarHBondContact O-N 3.04Å; P431-S435 PolarHBondContact O-OG 2.62Å; F432-S435 PolarHBondContact O-N 3.16Å; F432-S435 PolarHBondContact O-OG 2.87Å; L433-S435 VanDerWaalsContact C-N 3.35Å; S435-K438 WeakPolarHBondContact O-CB 3.46Å; S435-K438 PolarHBondContact O-N 3.43Å; S435-D439 PolarHBondContact O-N 3.46Å
436W76.7Confident76.3Confident23 Ų2366 Ų669%0.08735%0.345CS..Hα-helixtrans-65.3-44.5178.9179.785.1000112.3F280 K322 A326 F432 L433 E434 K438 D439 Q440F280-W436 VanDerWaalsContact C-NE1 3.35Å; F280-W436 HydrophobicContact CB-CD2 4Å; F280-W436 HydrophobicContact CB-CG 3.94Å; F280-W436 HydrophobicContact CD1-CD2 4.36Å; F280-W436 HydrophobicContact CD1-CE3 4.39Å; F280-W436 HydrophobicContact CD1-CH2 4.49Å; F280-W436 HydrophobicContact CD1-CZ2 4.42Å; F280-W436 HydrophobicContact CD1-CZ3 4.5Å; F280-W436 HydrophobicContact CG-CD2 4.5Å; F280-W436 PolarHBondContact O-NE1 2.79Å; K322-W436 HydrophobicContact CD-CH2 4.34Å; K322-W436 HydrophobicContact CD-CZ2 3.67Å; K322-W436 VanDerWaalsContact CE-CZ2 3.41Å; K322-W436 HydrophobicContact CG-CH2 4.01Å; K322-W436 HydrophobicContact CG-CZ2 3.72Å; A326-W436 HydrophobicContact CB-CE3 3.69Å; A326-W436 HydrophobicContact CB-CH2 3.79Å; A326-W436 HydrophobicContact CB-CZ3 3.07Å; F432-W436 WeakPolarHBondContact O-CB 3.4Å; F432-W436 PolarHBondContact O-N 3.44Å; L433-W436 PolarHBondContact O-N 3.43Å; E434-W436 VanDerWaalsContact C-N 3.32Å; E434-W436 PolarHBondContact O-N 3.24Å; W436-K438 VanDerWaalsContact C-N 3.32Å; W436-K438 PolarHBondContact O-N 2.97Å; W436-D439 WeakPolarHBondContact O-CB 3.22Å; W436-D439 PolarHBondContact O-N 3.44Å; W436-D439 VanDerWaalsContact O-N 3.1Å; W436-Q440 HydrophobicContact CD2-CG 3.87Å; W436-Q440 VanDerWaalsContact CE2-CG 3.46Å; W436-Q440 HydrophobicContact CE3-CG 4.25Å; W436-Q440 HydrophobicContact CG-CG 4.45Å; W436-Q440 HydrophobicContact CH2-CB 4.37Å; W436-Q440 HydrophobicContact CH2-CG 3.9Å; W436-Q440 HydrophobicContact CZ2-CB 4.43Å; W436-Q440 HydrophobicContact CZ2-CG 3.5Å; W436-Q440 VanDerWaalsContact CZ2-CG 3.5Å; W436-Q440 HydrophobicContact CZ3-CB 4.48Å; W436-Q440 HydrophobicContact CZ3-CG 4.23Å; W436-Q440 VanDerWaalsContact O-CG 3.29Å; W436-Q440 WeakPolarHBondContact O-CG 3.48Å; W436-Q440 PolarHBondContact O-N 2.93Å
437I74.4Confident76.7Confident43 Ų4369.5 Ų69.522%0.22137%0.368CS..Hα-helixtrans-67-37.1178-105.5157.6000111.8A326 I330 L433 E434 D439 Q440 V441A326-I437 HydrophobicContact CB-CD1 3.95Å; I330-I437 HydrophobicContact CD1-CB 4.18Å; I330-I437 HydrophobicContact CD1-CD1 3.09Å; I330-I437 HydrophobicContact CD1-CG1 4.16Å; I330-I437 HydrophobicContact CD1-CG2 4.5Å; I330-I437 HydrophobicContact CG1-CD1 4.41Å; L433-I437 PolarHBondContact O-N 3.34Å; E434-I437 PolarHBondContact O-N 2.99Å; I437-D439 PolarHBondContact O-N 3.33Å; I437-Q440 PolarHBondContact O-N 3.46Å; I437-Q440 VanDerWaalsContact O-N 3.15Å; I437-V441 HydrophobicContact CG1-CG2 4.39Å; I437-V441 WeakPolarHBondContact O-CB 3.49Å; I437-V441 PolarHBondContact O-N 3.26Å
438K77.9Confident76.7Confident152 Ų15268.5 Ų68.566%0.66136%0.36SS*.Hα-helixtrans-58-38.4172-172.3-178.9179.1-177.30111.1E434 S435 W436 G442E434-K438 WeakPolarHBondContact O-CB 3.3Å; E434-K438 PolarHBondContact O-N 2.91Å; S435-K438 WeakPolarHBondContact O-CB 3.46Å; S435-K438 PolarHBondContact O-N 3.43Å; W436-K438 VanDerWaalsContact C-N 3.32Å; W436-K438 PolarHBondContact O-N 2.97Å; K438-G442 WeakPolarHBondContact O-CA 3.42Å; K438-G442 PolarHBondContact O-N 3.49Å
439D74Confident76.7Confident84 Ų8469.5 Ų69.545%0.44937%0.371SS..Hα-helixtrans-74.6-25.4178.3-72.2-15.6000114.1S435 W436 I437 A445 R448S435-D439 PolarHBondContact O-N 3.46Å; W436-D439 WeakPolarHBondContact O-CB 3.22Å; W436-D439 PolarHBondContact O-N 3.44Å; W436-D439 VanDerWaalsContact O-N 3.1Å; I437-D439 PolarHBondContact O-N 3.33Å; D439-A445 WeakPolarHBondContact O-CB 3.1Å; D439-R448 PolarHBondContact O-NH2 2.59Å
440Q69.9Low76.8Confident90 Ų9075.4 Ų75.442%0.42140%0.396SS..Hα-helixtrans-98.8-29.7-176.8-66.2-70.6-14.200114.6W436 I437 A445W436-Q440 HydrophobicContact CD2-CG 3.87Å; W436-Q440 VanDerWaalsContact CE2-CG 3.46Å; W436-Q440 HydrophobicContact CE3-CG 4.25Å; W436-Q440 HydrophobicContact CG-CG 4.45Å; W436-Q440 HydrophobicContact CH2-CB 4.37Å; W436-Q440 HydrophobicContact CH2-CG 3.9Å; W436-Q440 HydrophobicContact CZ2-CB 4.43Å; W436-Q440 HydrophobicContact CZ2-CG 3.5Å; W436-Q440 VanDerWaalsContact CZ2-CG 3.5Å; W436-Q440 HydrophobicContact CZ3-CB 4.48Å; W436-Q440 HydrophobicContact CZ3-CG 4.23Å; W436-Q440 VanDerWaalsContact O-CG 3.29Å; W436-Q440 WeakPolarHBondContact O-CG 3.48Å; W436-Q440 PolarHBondContact O-N 2.93Å; I437-Q440 PolarHBondContact O-N 3.46Å; I437-Q440 VanDerWaalsContact O-N 3.15Å; Q440-A445 WeakPolarHBondContact O-CB 3.47Å
441V68.5Low77.2Confident97 Ų9779.8 Ų79.859%0.58842%0.415SS*.Hα-helixtrans-114.9-19.3-175.9-174.20000111.4I437I437-V441 HydrophobicContact CG1-CG2 4.39Å; I437-V441 WeakPolarHBondContact O-CB 3.49Å; I437-V441 PolarHBondContact O-N 3.26Å
442G71.7Confident77.4Confident19 Ų1983.9 Ų83.920%0.19643%0.428CS..SBendtrans-68.6172.7-178.500000114.1K438 P444 A445 L446K438-G442 WeakPolarHBondContact O-CA 3.42Å; K438-G442 PolarHBondContact O-N 3.49Å; G442-P444 VanDerWaalsContact C-N 3.26Å; G442-P444 VanDerWaalsContact O-N 3.16Å; G442-A445 WeakPolarHBondContact O-CA 3.28Å; G442-A445 VanDerWaalsContact O-CB 3.27Å; G442-A445 WeakPolarHBondContact O-CB 3.42Å; G442-A445 PolarHBondContact O-N 3.14Å; G442-L446 PolarHBondContact O-N 2.68Å; G442-L446 VanDerWaalsContact O-N 3.17Å
443I74.7Confident77.9Confident133 Ų13387.6 Ų87.668%0.68244%0.444SS*.Hα-helixtrans-47.2-42.5175.8-58.8175.8000112.5A445 L446 V447I443-A445 VanDerWaalsContact C-N 3.27Å; I443-A445 PolarHBondContact O-N 2.92Å; I443-L446 PolarHBondContact O-N 2.87Å; I443-V447 HydrophobicContact CG2-CG2 4.3Å; I443-V447 WeakPolarHBondContact O-CG2 3.41Å; I443-V447 PolarHBondContact O-N 3.07Å
444P76.3Confident78.3Confident74 Ų7488.8 Ų88.848%0.48145%0.454SS..Hα-helixtrans-60.3-35.1176.8-2435.3000113.6G442 R448G442-P444 VanDerWaalsContact C-N 3.26Å; G442-P444 VanDerWaalsContact O-N 3.16Å; P444-R448 WeakPolarHBondContact O-CB 3.39Å; P444-R448 WeakPolarHBondContact O-CG 3.36Å; P444-R448 PolarHBondContact O-N 2.94Å
445A74.1Confident78.6Confident14 Ų1488.7 Ų88.712%0.11646%0.461CS..Hα-helixtrans-70-43.2176.900000111.7D439 Q440 G442 I443 V447 R448 A449D439-A445 WeakPolarHBondContact O-CB 3.1Å; Q440-A445 WeakPolarHBondContact O-CB 3.47Å; G442-A445 WeakPolarHBondContact O-CA 3.28Å; G442-A445 VanDerWaalsContact O-CB 3.27Å; G442-A445 WeakPolarHBondContact O-CB 3.42Å; G442-A445 PolarHBondContact O-N 3.14Å; I443-A445 VanDerWaalsContact C-N 3.27Å; I443-A445 PolarHBondContact O-N 2.92Å; A445-V447 VanDerWaalsContact C-N 3.32Å; A445-V447 PolarHBondContact O-N 3.34Å; A445-R448 PolarHBondContact O-N 3.37Å; A445-A449 VanDerWaalsContact O-CB 3.31Å; A445-A449 WeakPolarHBondContact O-CB 3.45Å; A445-A449 PolarHBondContact O-N 3.29Å
446L76.4Confident78.8Confident119 Ų11991.8 Ų91.862%0.62347%0.468SS*.Hα-helixtrans-59.4-43.9174.8-70.1172.6000111.3G442 I443 A449 F450G442-L446 PolarHBondContact O-N 2.68Å; G442-L446 VanDerWaalsContact O-N 3.17Å; I443-L446 PolarHBondContact O-N 2.87Å; L446-A449 PolarHBondContact O-N 3.36Å; L446-F450 VanDerWaalsContact O-CB 3.29Å; L446-F450 WeakPolarHBondContact O-CB 3.17Å; L446-F450 PolarHBondContact O-N 3.25Å
447V82.4Confident79.2Confident90 Ų9096.8 Ų96.855%0.54549%0.487SS..Hα-helixtrans-63.9-43.7176.6173.50000111.4I443 A445 F450 K451I443-V447 HydrophobicContact CG2-CG2 4.3Å; I443-V447 WeakPolarHBondContact O-CG2 3.41Å; I443-V447 PolarHBondContact O-N 3.07Å; A445-V447 VanDerWaalsContact C-N 3.32Å; A445-V447 PolarHBondContact O-N 3.34Å; V447-F450 PolarHBondContact O-N 3.35Å; V447-K451 WeakPolarHBondContact O-CB 3.39Å; V447-K451 PolarHBondContact O-N 2.93Å
448R79.7Confident79.8Confident134 Ų13499.6 Ų99.651%0.50651%0.506SS..Hα-helixtrans-62.3-46.9175.1-78.2-172.7-70.1-155.60.5112.2D439 P444 A445 F450 K451 E452D439-R448 PolarHBondContact O-NH2 2.59Å; P444-R448 WeakPolarHBondContact O-CB 3.39Å; P444-R448 WeakPolarHBondContact O-CG 3.36Å; P444-R448 PolarHBondContact O-N 2.94Å; A445-R448 PolarHBondContact O-N 3.37Å; R448-F450 VanDerWaalsContact C-N 3.32Å; R448-F450 PolarHBondContact O-N 3.09Å; R448-K451 PolarHBondContact O-N 3.49Å; R448-K451 VanDerWaalsContact O-N 3.16Å; R448-E452 PolarHBondContact O-N 3Å
449A80.5Confident80.2Confident45 Ų4598.9 Ų98.937%0.37251%0.505SS..Hα-helixtrans-63-39.8178.800000111.9A445 L446 K453A445-A449 VanDerWaalsContact O-CB 3.31Å; A445-A449 WeakPolarHBondContact O-CB 3.45Å; A445-A449 PolarHBondContact O-N 3.29Å; L446-A449 PolarHBondContact O-N 3.36Å; A449-K453 WeakPolarHBondContact O-CB 3.39Å; A449-K453 WeakPolarHBondContact O-CG 3.41Å; A449-K453 PolarHBondContact O-N 3.23Å
450F82.6Confident80.6Confident127 Ų12798.4 Ų98.456%0.55750%0.499SS*.Hα-helixtrans-62.6-46.6172.7-171.1-84000110.7L446 V447 R448 E452 K453 A454 W457L446-F450 VanDerWaalsContact O-CB 3.29Å; L446-F450 WeakPolarHBondContact O-CB 3.17Å; L446-F450 PolarHBondContact O-N 3.25Å; V447-F450 PolarHBondContact O-N 3.35Å; R448-F450 VanDerWaalsContact C-N 3.32Å; R448-F450 PolarHBondContact O-N 3.09Å; F450-E452 PolarHBondContact O-N 3.39Å; F450-K453 PolarHBondContact O-N 3.28Å; F450-A454 WeakPolarHBondContact O-CA 3.46Å; F450-A454 WeakPolarHBondContact O-CB 3.5Å; F450-A454 PolarHBondContact O-N 2.92Å; F450-W457 HydrophobicContact CD2-CE3 4.48Å; F450-W457 HydrophobicContact CD2-CH2 4.14Å; F450-W457 AromaticContact CD2-CZ3 3.61Å; F450-W457 HydrophobicContact CD2-CZ3 3.61Å; F450-W457 HydrophobicContact CE2-CE3 4.11Å; F450-W457 HydrophobicContact CE2-CH2 4.28Å; F450-W457 AromaticContact CE2-CZ3 3.39Å; F450-W457 HydrophobicContact CE2-CZ3 3.39Å; F450-W457 HydrophobicContact CZ-CE3 4.45Å; F450-W457 HydrophobicContact CZ-CZ3 4.15Å
451K86.7Confident81.3Confident163 Ų163100.1 Ų100.171%0.70951%0.508SS*.Hα-helixtrans-62.4-40.2178.8-171.1-179.4179.5-176.60113V447 R448 P455V447-K451 WeakPolarHBondContact O-CB 3.39Å; V447-K451 PolarHBondContact O-N 2.93Å; R448-K451 PolarHBondContact O-N 3.49Å; R448-K451 VanDerWaalsContact O-N 3.16Å; K451-P455 WeakPolarHBondContact O-CD 3.45Å
452E85.8Confident82.2Confident160 Ų160100.1 Ų100.175%0.74851%0.51SS*.Hα-helixtrans-68.8-37.9176.7-79.9179.7171.100112.7R448 F450 P455R448-E452 PolarHBondContact O-N 3Å; F450-E452 PolarHBondContact O-N 3.39Å; E452-P455 WeakPolarHBondContact O-CD 3.38Å
453K86.7Confident82.7Confident125 Ų125103 Ų10354%0.54352%0.518SS..Hα-helixtrans-84.8-16.7178.4-68.2-170.1177.4-171.30113.7A449 F450 F456 W457A449-K453 WeakPolarHBondContact O-CB 3.39Å; A449-K453 WeakPolarHBondContact O-CG 3.41Å; A449-K453 PolarHBondContact O-N 3.23Å; F450-K453 PolarHBondContact O-N 3.28Å; K453-F456 WeakPolarHBondContact O-CB 3.27Å; K453-F456 PolarHBondContact O-N 2.7Å; K453-F456 VanDerWaalsContact O-N 3.14Å; K453-W457 HydrophobicContact CB-CZ2 4.44Å; K453-W457 HydrophobicContact CD-CZ2 4.45Å; K453-W457 PolarHBondContact O-N 2.73Å
454A85.1Confident83.2Confident26 Ų26101.2 Ų101.222%0.21551%0.51CS..Hα-helixtrans-55.7-44.2-177.500000113.4F450 F456 W457 V458F450-A454 WeakPolarHBondContact O-CA 3.46Å; F450-A454 WeakPolarHBondContact O-CB 3.5Å; F450-A454 PolarHBondContact O-N 2.92Å; A454-F456 VanDerWaalsContact C-N 3.34Å; A454-F456 PolarHBondContact O-N 2.96Å; A454-W457 PolarHBondContact O-N 2.8Å; A454-V458 VanDerWaalsContact O-CG2 3.29Å; A454-V458 WeakPolarHBondContact O-CG2 3.29Å; A454-V458 PolarHBondContact O-N 2.74Å
455P88Confident83.6Confident89 Ų89101.8 Ų101.858%0.57851%0.514SS*.Hα-helixtrans-57.1-45.4175.5-25.234.5000112.8K451 E452 W457 V458 E459K451-P455 WeakPolarHBondContact O-CD 3.45Å; E452-P455 WeakPolarHBondContact O-CD 3.38Å; P455-W457 PolarHBondContact O-N 2.77Å; P455-V458 PolarHBondContact O-N 3.04Å; P455-E459 PolarHBondContact O-N 2.83Å; P455-E459 VanDerWaalsContact O-N 3.08Å
456F83.8Confident84.1Confident121 Ų121107.8 Ų107.853%0.53154%0.539SS..Hα-helixtrans-64.9-38.3177.6177.5-101.6000112.2K453 A454 K460K453-F456 WeakPolarHBondContact O-CB 3.27Å; K453-F456 PolarHBondContact O-N 2.7Å; K453-F456 VanDerWaalsContact O-N 3.14Å; A454-F456 VanDerWaalsContact C-N 3.34Å; A454-F456 PolarHBondContact O-N 2.96Å; F456-K460 HydrophobicContact CE1-CG 4.33Å; F456-K460 HydrophobicContact CE2-CG 4.21Å; F456-K460 HydrophobicContact CZ-CG 4.04Å; F456-K460 WeakPolarHBondContact O-CG 3.46Å; F456-K460 PolarHBondContact O-N 2.94Å; F456-K460 VanDerWaalsContact O-N 3.13Å
457W84.8Confident84.5Confident128 Ų128107 Ų10749%0.48554%0.535SS..Hα-helixtrans-68.3-40.1175.8-69.4-3.6000112.6F450 K453 A454 P455 E459 K460 M461F450-W457 HydrophobicContact CD2-CE3 4.48Å; F450-W457 HydrophobicContact CD2-CH2 4.14Å; F450-W457 AromaticContact CD2-CZ3 3.61Å; F450-W457 HydrophobicContact CD2-CZ3 3.61Å; F450-W457 HydrophobicContact CE2-CE3 4.11Å; F450-W457 HydrophobicContact CE2-CH2 4.28Å; F450-W457 AromaticContact CE2-CZ3 3.39Å; F450-W457 HydrophobicContact CE2-CZ3 3.39Å; F450-W457 HydrophobicContact CZ-CE3 4.45Å; F450-W457 HydrophobicContact CZ-CZ3 4.15Å; K453-W457 HydrophobicContact CB-CZ2 4.44Å; K453-W457 HydrophobicContact CD-CZ2 4.45Å; K453-W457 PolarHBondContact O-N 2.73Å; A454-W457 PolarHBondContact O-N 2.8Å; P455-W457 PolarHBondContact O-N 2.77Å; W457-E459 VanDerWaalsContact C-N 3.31Å; W457-E459 PolarHBondContact O-N 2.86Å; W457-K460 PolarHBondContact O-N 3.16Å; W457-M461 WeakPolarHBondContact O-CB 3.34Å; W457-M461 PolarHBondContact O-N 3.01Å
458V86.9Confident84.6Confident101 Ų101106.7 Ų106.761%0.61253%0.533SS*.Hα-helixtrans-62.4-40.2176.5169.60000110.9A454 P455 P462A454-V458 VanDerWaalsContact O-CG2 3.29Å; A454-V458 WeakPolarHBondContact O-CG2 3.29Å; A454-V458 PolarHBondContact O-N 2.74Å; P455-V458 PolarHBondContact O-N 3.04Å; V458-P462 WeakPolarHBondContact O-CD 3.32Å
459E85.8Confident84.9Confident137 Ų137107.4 Ų107.464%0.6454%0.537SS*.Hα-helixtrans-65.7-37.1176.1-170.8179.1-178.400112.5P455 W457 P462P455-E459 PolarHBondContact O-N 2.83Å; P455-E459 VanDerWaalsContact O-N 3.08Å; W457-E459 VanDerWaalsContact C-N 3.31Å; W457-E459 PolarHBondContact O-N 2.86Å; E459-P462 WeakPolarHBondContact O-CD 3.33Å
460K82.6Confident85.1Confident75 Ų75109.4 Ų109.433%0.32654%0.542SS..Hα-helixtrans-87.8-15.7-179.2-68.7-63.2179.4-168.40115.2F456 W457 P462 E463 L464F456-K460 HydrophobicContact CE1-CG 4.33Å; F456-K460 HydrophobicContact CE2-CG 4.21Å; F456-K460 HydrophobicContact CZ-CG 4.04Å; F456-K460 WeakPolarHBondContact O-CG 3.46Å; F456-K460 PolarHBondContact O-N 2.94Å; F456-K460 VanDerWaalsContact O-N 3.13Å; W457-K460 PolarHBondContact O-N 3.16Å; K460-P462 VanDerWaalsContact C-CD 3.49Å; K460-E463 WeakPolarHBondContact CD-OE2 3.34Å; K460-E463 IonicContact NZ-OE1 2.8Å; K460-E463 PolarHBondContact NZ-OE1 3.45Å; K460-E463 IonicContact NZ-OE2 2.86Å; K460-E463 PolarHBondContact NZ-OE2 2.67Å; K460-E463 PolarHBondContact O-N 2.93Å; K460-E463 VanDerWaalsContact O-N 3.09Å; K460-L464 PolarHBondContact O-N 2.71Å
461M85.2Confident85.2Confident125 Ų125107.2 Ų107.262%0.61654%0.542SS*.G310 helixtrans-59.4-38.9-178.5-164.3166.58100113.9W457 E463 L464 P465W457-M461 WeakPolarHBondContact O-CB 3.34Å; W457-M461 PolarHBondContact O-N 3.01Å; M461-E463 VanDerWaalsContact C-N 3.25Å; M461-E463 PolarHBondContact O-N 3.04Å; M461-L464 HydrophobicContact CG-CD1 4.43Å; M461-L464 PolarHBondContact O-N 3.13Å; M461-P465 WeakPolarHBondContact O-CD 3.42Å
462P86.3Confident85.2Confident97 Ų97105 Ų10563%0.6354%0.537SS*.G310 helixtrans-64.2-26174.8-22.934.8000114.2V458 E459 K460 P465V458-P462 WeakPolarHBondContact O-CD 3.32Å; E459-P462 WeakPolarHBondContact O-CD 3.33Å; K460-P462 VanDerWaalsContact C-CD 3.49Å; P462-P465 WeakPolarHBondContact O-CD 2.99Å
463E83.4Confident85Confident80 Ų80105.5 Ų105.537%0.37453%0.532SS..G310 helixtrans-82.6-19.4179.1-60.8175.9-167.900112.3K460 M461 E466 L467K460-E463 WeakPolarHBondContact CD-OE2 3.34Å; K460-E463 IonicContact NZ-OE1 2.8Å; K460-E463 PolarHBondContact NZ-OE1 3.45Å; K460-E463 IonicContact NZ-OE2 2.86Å; K460-E463 PolarHBondContact NZ-OE2 2.67Å; K460-E463 PolarHBondContact O-N 2.93Å; K460-E463 VanDerWaalsContact O-N 3.09Å; M461-E463 VanDerWaalsContact C-N 3.25Å; M461-E463 PolarHBondContact O-N 3.04Å; E463-E466 PolarHBondContact O-N 3.42Å; E463-L467 HydrophobicContact CB-CD1 4.33Å; E463-L467 PolarHBondContact O-N 3.27Å
464L83.4Confident84.8Confident95 Ų95106.4 Ų106.450%0.49754%0.538SS..Hα-helixtrans-58.9-44.4-176.8-76.8175.4000114K460 M461 E466 L467 V468K460-L464 PolarHBondContact O-N 2.71Å; M461-L464 HydrophobicContact CG-CD1 4.43Å; M461-L464 PolarHBondContact O-N 3.13Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 3.28Å; L464-L467 PolarHBondContact O-N 2.79Å; L464-V468 WeakPolarHBondContact O-CB 3.27Å; L464-V468 VanDerWaalsContact O-CG2 3.28Å; L464-V468 WeakPolarHBondContact O-CG2 3.38Å; L464-V468 PolarHBondContact O-N 3.5Å
465P86.4Confident84.6Confident87 Ų87107 Ų10757%0.56555%0.547SS*.Hα-helixtrans-58.9-39.6177.6-24.635000112.8M461 P462 Y469M461-P465 WeakPolarHBondContact O-CD 3.42Å; P462-P465 WeakPolarHBondContact O-CD 2.99Å; P465-Y469 WeakPolarHBondContact O-CB 3.4Å; P465-Y469 PolarHBondContact O-N 3.31Å
466E83.5Confident84.3Confident139 Ų139110.3 Ų110.365%0.6555%0.552SS**Hα-helixtrans-68.5-46.9177.4-68.7-174170.600111.1E463 L464 V468 Y469 D470E463-E466 PolarHBondContact O-N 3.42Å; L464-E466 VanDerWaalsContact C-N 3.29Å; L464-E466 PolarHBondContact O-N 3.28Å; E466-V468 VanDerWaalsContact C-N 3.34Å; E466-V468 PolarHBondContact O-N 2.84Å; E466-Y469 PolarHBondContact O-N 3.08Å; E466-D470 WeakPolarHBondContact O-CB 3.19Å; E466-D470 PolarHBondContact O-N 3.27Å
467L84.5Confident84.1Confident104 Ų104112.8 Ų112.855%0.54556%0.56SS.*Hα-helixtrans-59.1-42.2176.4-77.8162.4000112.7E463 L464 S471E463-L467 HydrophobicContact CB-CD1 4.33Å; E463-L467 PolarHBondContact O-N 3.27Å; L464-L467 PolarHBondContact O-N 2.79Å; L467-S471 VanDerWaalsContact O-CB 3.27Å; L467-S471 WeakPolarHBondContact O-CB 3.38Å; L467-S471 PolarHBondContact O-N 3.22Å
468V85.8Confident84Confident83 Ų83112.2 Ų112.250%0.50357%0.565SS.*Hα-helixtrans-67.8-44.4176.3171.80000110.6L464 E466 S471 L472L464-V468 WeakPolarHBondContact O-CB 3.27Å; L464-V468 VanDerWaalsContact O-CG2 3.28Å; L464-V468 WeakPolarHBondContact O-CG2 3.38Å; L464-V468 PolarHBondContact O-N 3.5Å; E466-V468 VanDerWaalsContact C-N 3.34Å; E466-V468 PolarHBondContact O-N 2.84Å; V468-S471 PolarHBondContact O-N 3.34Å; V468-L472 HydrophobicContact CG1-CD1 3.89Å; V468-L472 HydrophobicContact CG1-CG 4.42Å; V468-L472 WeakPolarHBondContact O-CB 3.41Å; V468-L472 VanDerWaalsContact O-CG 3.24Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 2.74Å
469Y85.4Confident83.7Confident148 Ų148113.4 Ų113.458%0.5856%0.564SS**Hα-helixtrans-61.1-45177.6179.3-99.7000111.9P465 E466 L472 R473P465-Y469 WeakPolarHBondContact O-CB 3.4Å; P465-Y469 PolarHBondContact O-N 3.31Å; E466-Y469 PolarHBondContact O-N 3.08Å; Y469-L472 PolarHBondContact O-N 3.23Å; Y469-R473 WeakPolarHBondContact O-CB 3.2Å; Y469-R473 PolarHBondContact O-N 3.35Å
470D84.9Confident83.5Confident88 Ų88113.5 Ų113.547%0.47156%0.564SS.*Hα-helixtrans-67-42.2178.7-77-20.1000111.9E466 L472 R473 Q474E466-D470 WeakPolarHBondContact O-CB 3.19Å; E466-D470 PolarHBondContact O-N 3.27Å; D470-L472 PolarHBondContact O-N 2.89Å; D470-R473 PolarHBondContact O-N 2.85Å; D470-Q474 VanDerWaalsContact O-CB 3.31Å; D470-Q474 WeakPolarHBondContact O-CB 3.34Å; D470-Q474 PolarHBondContact O-N 3.11Å
471S85.2Confident83.5Confident80 Ų80111.8 Ų111.856%0.55956%0.562SS**Hα-helixtrans-60.4-44.2174.3-174.40000111.9L467 V468 R473 Q474 G475L467-S471 VanDerWaalsContact O-CB 3.27Å; L467-S471 WeakPolarHBondContact O-CB 3.38Å; L467-S471 PolarHBondContact O-N 3.22Å; V468-S471 PolarHBondContact O-N 3.34Å; S471-R473 PolarHBondContact O-N 3.44Å; S471-Q474 PolarHBondContact O-N 2.98Å; S471-G475 PolarHBondContact O-N 3.39Å
472L85.7Confident83.5Confident118 Ų118109.8 Ų109.862%0.61856%0.557SS**Hα-helixtrans-65.3-38.2176.2-71.9171.4000112.3V468 Y469 D470 K476V468-L472 HydrophobicContact CG1-CD1 3.89Å; V468-L472 HydrophobicContact CG1-CG 4.42Å; V468-L472 WeakPolarHBondContact O-CB 3.41Å; V468-L472 VanDerWaalsContact O-CG 3.24Å; V468-L472 WeakPolarHBondContact O-CG 3.41Å; V468-L472 PolarHBondContact O-N 2.74Å; Y469-L472 PolarHBondContact O-N 3.23Å; D470-L472 PolarHBondContact O-N 2.89Å; L472-K476 PolarHBondContact O-N 2.99Å
473R82.3Confident83.5Confident170 Ų170108.4 Ų108.464%0.64254%0.544SS*.Hα-helixtrans-67.3-40.9175.7-170.1179.2-179.2-170.81111.4Y469 D470 S471 K476 Y477Y469-R473 WeakPolarHBondContact O-CB 3.2Å; Y469-R473 PolarHBondContact O-N 3.35Å; D470-R473 PolarHBondContact O-N 2.85Å; S471-R473 PolarHBondContact O-N 3.44Å; R473-K476 PolarHBondContact O-N 3.48Å; R473-Y477 PolarHBondContact O-N 3.4Å
474Q82.4Confident83.6Confident143 Ų143111 Ų11167%0.66855%0.554SS**Hα-helixtrans-67.1-38178-159173.725.400111.5D470 S471 K476 Y477 L478D470-Q474 VanDerWaalsContact O-CB 3.31Å; D470-Q474 WeakPolarHBondContact O-CB 3.34Å; D470-Q474 PolarHBondContact O-N 3.11Å; S471-Q474 PolarHBondContact O-N 2.98Å; Q474-K476 PolarHBondContact O-N 3.2Å; Q474-Y477 PolarHBondContact O-N 3.5Å; Q474-L478 WeakPolarHBondContact O-CB 3.38Å; Q474-L478 PolarHBondContact O-N 2.92Å
475G81.2Confident83.7Confident39 Ų39111 Ų11140%0.40255%0.554SS.*Hα-helixtrans-57.6-43.6172.600000113.3S471 Y477 L478 Q479S471-G475 PolarHBondContact O-N 3.39Å; G475-Y477 PolarHBondContact O-N 3.35Å; G475-L478 PolarHBondContact O-N 2.87Å; G475-Q479 PolarHBondContact O-N 3.08Å
476K80.7Confident83.8Confident158 Ų158109.2 Ų109.269%0.68755%0.546SS*.Hα-helixtrans-64.3-38.9175.2-74.4-175.7179.1178.30112.8L472 R473 Q474 H480L472-K476 PolarHBondContact O-N 2.99Å; R473-K476 PolarHBondContact O-N 3.48Å; Q474-K476 PolarHBondContact O-N 3.2Å; K476-H480 PolarHBondContact O-N 3.47Å; K476-H480 VanDerWaalsContact O-N 3.16Å
477Y79.7Confident84Confident174 Ų174110.7 Ų110.768%0.68255%0.546SS*.Hα-helixtrans-68.9-40.2177.4-172.8-94.4000112.1R473 Q474 G475 H480 S481R473-Y477 PolarHBondContact O-N 3.4Å; Q474-Y477 PolarHBondContact O-N 3.5Å; G475-Y477 PolarHBondContact O-N 3.35Å; Y477-H480 PolarHBondContact O-N 3.46Å; Y477-S481 PolarHBondContact O-N 3.07Å; Y477-S481 PolarHBondContact O-OG 3.35Å
478L81.6Confident84.1Confident116 Ų116110.4 Ų110.461%0.60754%0.542SS*.Hα-helixtrans-62.1-44.8175.9-166.373.7000110.6Q474 G475 H480 S481 V482Q474-L478 WeakPolarHBondContact O-CB 3.38Å; Q474-L478 PolarHBondContact O-N 2.92Å; G475-L478 PolarHBondContact O-N 2.87Å; L478-H480 PolarHBondContact O-N 3.25Å; L478-S481 WeakPolarHBondContact O-CB 3.47Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 VanDerWaalsContact O-N 3.14Å; L478-V482 WeakPolarHBondContact O-CG2 3.18Å; L478-V482 PolarHBondContact O-N 3.39Å
479Q82.6Confident84Confident125 Ų125111.3 Ų111.358%0.58454%0.543SS*.Hα-helixtrans-61.4-43.2177.5-169.5166.6100112.3G475 S481 V482 D483G475-Q479 PolarHBondContact O-N 3.08Å; Q479-S481 VanDerWaalsContact C-N 3.3Å; Q479-S481 PolarHBondContact O-N 2.84Å; Q479-V482 PolarHBondContact O-N 3.25Å; Q479-D483 WeakPolarHBondContact O-CB 3.38Å; Q479-D483 PolarHBondContact O-N 3.13Å
480H80.3Confident84.1Confident139 Ų139110.8 Ų110.864%0.64455%0.546SS*.Hα-helixtrans-61.7-38.2173.8-101.968.6000112.9K476 Y477 L478 K484K476-H480 PolarHBondContact O-N 3.47Å; K476-H480 VanDerWaalsContact O-N 3.16Å; Y477-H480 PolarHBondContact O-N 3.46Å; L478-H480 PolarHBondContact O-N 3.25Å; H480-K484 WeakPolarHBondContact O-CB 3.35Å; H480-K484 PolarHBondContact O-N 2.91Å
481S83.5Confident84.2Confident39 Ų39109 Ų10927%0.27354%0.54SS..Hα-helixtrans-68.1-42.7178.3-59.50000111.2Y477 L478 Q479 K484 I485Y477-S481 PolarHBondContact O-N 3.07Å; Y477-S481 PolarHBondContact O-OG 3.35Å; L478-S481 WeakPolarHBondContact O-CB 3.47Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 VanDerWaalsContact O-N 3.14Å; Q479-S481 VanDerWaalsContact C-N 3.3Å; Q479-S481 PolarHBondContact O-N 2.84Å; S481-K484 PolarHBondContact O-N 3Å; S481-I485 VanDerWaalsContact O-CG1 3.26Å; S481-I485 WeakPolarHBondContact O-CG1 3.46Å; S481-I485 PolarHBondContact O-N 3.32Å
482V83.9Confident84.2Confident84 Ų84108.9 Ų108.951%0.50953%0.533SS..Hα-helixtrans-62.8-45.6175.1172.30000111L478 Q479 K484 I485 A486L478-V482 WeakPolarHBondContact O-CG2 3.18Å; L478-V482 PolarHBondContact O-N 3.39Å; Q479-V482 PolarHBondContact O-N 3.25Å; V482-K484 VanDerWaalsContact C-N 3.31Å; V482-K484 PolarHBondContact O-N 2.94Å; V482-I485 PolarHBondContact O-N 2.86Å; V482-A486 WeakPolarHBondContact O-CB 3.32Å; V482-A486 PolarHBondContact O-N 3.02Å
483D86.6Confident84.2Confident68 Ų68109.8 Ų109.836%0.36453%0.534SS..Hα-helixtrans-64.3-34.8178.7-75.6-15.5000112.8Q479 R487Q479-D483 WeakPolarHBondContact O-CB 3.38Å; Q479-D483 PolarHBondContact O-N 3.13Å; D483-R487 WeakPolarHBondContact O-CB 3.34Å; D483-R487 WeakPolarHBondContact O-CG 3.26Å; D483-R487 PolarHBondContact O-N 3.27Å; D483-R487 VanDerWaalsContact O-N 3.1Å; D483-R487 PolarHBondContact O-NE 3.3Å
484K85.4Confident84.4Confident134 Ų134105.4 Ų105.458%0.58353%0.526SS*.Hα-helixtrans-68.1-47.1175.1-172.8-177.7176.6-171.40110.9H480 S481 V482 A486 R487 E488H480-K484 WeakPolarHBondContact O-CB 3.35Å; H480-K484 PolarHBondContact O-N 2.91Å; S481-K484 PolarHBondContact O-N 3Å; V482-K484 VanDerWaalsContact C-N 3.31Å; V482-K484 PolarHBondContact O-N 2.94Å; K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.26Å; K484-R487 PolarHBondContact O-N 3.04Å; K484-E488 WeakPolarHBondContact CE-OE1 3.4Å; K484-E488 WeakPolarHBondContact O-CG 3.46Å; K484-E488 PolarHBondContact O-N 2.85Å
485I86.7Confident84.6Confident96 Ų96104.8 Ų104.849%0.49252%0.518SS..Hα-helixtrans-60.5-44.1176.7-69.3166.5000110.5S481 V482 R487 E488 L489S481-I485 VanDerWaalsContact O-CG1 3.26Å; S481-I485 WeakPolarHBondContact O-CG1 3.46Å; S481-I485 PolarHBondContact O-N 3.32Å; V482-I485 PolarHBondContact O-N 2.86Å; I485-R487 PolarHBondContact O-N 3.5Å; I485-E488 PolarHBondContact O-N 3.47Å; I485-L489 HydrophobicContact CG2-CD1 3.84Å; I485-L489 HydrophobicContact CG2-CG 4.28Å; I485-L489 WeakPolarHBondContact O-CB 3.2Å; I485-L489 VanDerWaalsContact O-CG 3.31Å; I485-L489 WeakPolarHBondContact O-CG 3.32Å; I485-L489 PolarHBondContact O-N 2.91Å
486A87.6Confident84.8Confident49 Ų49107.3 Ų107.341%0.40552%0.519SS..Hα-helixtrans-61.1-43.8178.100000112.2V482 K484 L489 Q490V482-A486 WeakPolarHBondContact O-CB 3.32Å; V482-A486 PolarHBondContact O-N 3.02Å; K484-A486 VanDerWaalsContact C-N 3.34Å; K484-A486 PolarHBondContact O-N 3.26Å; A486-L489 PolarHBondContact O-N 3.33Å; A486-Q490 WeakPolarHBondContact O-CB 3.32Å; A486-Q490 PolarHBondContact O-N 3.5Å
487R87.2Confident85.2Confident170 Ų170101.7 Ų101.764%0.64251%0.506SS*.Hα-helixtrans-65.5-42.1176.3-78.5-174.7-104.8-167-7.7112.6D483 K484 I485 Q490 S491D483-R487 WeakPolarHBondContact O-CB 3.34Å; D483-R487 WeakPolarHBondContact O-CG 3.26Å; D483-R487 PolarHBondContact O-N 3.27Å; D483-R487 VanDerWaalsContact O-N 3.1Å; D483-R487 PolarHBondContact O-NE 3.3Å; K484-R487 PolarHBondContact O-N 3.04Å; I485-R487 PolarHBondContact O-N 3.5Å; R487-Q490 PolarHBondContact O-N 3.34Å; R487-S491 WeakPolarHBondContact O-CB 3.34Å; R487-S491 PolarHBondContact O-N 3.32Å; R487-S491 PolarHBondContact O-OG 3Å
488E86.8Confident85.6Confident98 Ų9897.4 Ų97.446%0.45849%0.492SS..Hα-helixtrans-63.2-46175.8-76.9178.6-171.300110.9K484 I485 Q490 S491 N492K484-E488 WeakPolarHBondContact CE-OE1 3.4Å; K484-E488 WeakPolarHBondContact O-CG 3.46Å; K484-E488 PolarHBondContact O-N 2.85Å; I485-E488 PolarHBondContact O-N 3.47Å; E488-Q490 PolarHBondContact O-N 3.03Å; E488-S491 PolarHBondContact O-N 2.88Å; E488-S491 PolarHBondContact O-OG 2.84Å; E488-N492 WeakPolarHBondContact O-CB 3.46Å; E488-N492 VanDerWaalsContact O-CG 3.27Å; E488-N492 PolarHBondContact O-N 3.45Å; E488-N492 PolarHBondContact O-ND2 3.4Å
489L84.8Confident86Confident101 Ų10192 Ų9253%0.52946%0.464SS..Hα-helixtrans-59.7-45.4176-76173.2000112.2I485 A486 N492 H493I485-L489 HydrophobicContact CG2-CD1 3.84Å; I485-L489 HydrophobicContact CG2-CG 4.28Å; I485-L489 WeakPolarHBondContact O-CB 3.2Å; I485-L489 VanDerWaalsContact O-CG 3.31Å; I485-L489 WeakPolarHBondContact O-CG 3.32Å; I485-L489 PolarHBondContact O-N 2.91Å; A486-L489 PolarHBondContact O-N 3.33Å; L489-N492 PolarHBondContact O-N 3.28Å; L489-H493 WeakPolarHBondContact O-CB 3.26Å; L489-H493 PolarHBondContact O-N 3.36Å
490Q88Confident86.4Confident137 Ų13794.8 Ų94.864%0.6447%0.469SS*.Hα-helixtrans-64.1-43.3178.6-172174.1-8.300111.6A486 R487 E488 N492 H493 V494A486-Q490 WeakPolarHBondContact O-CB 3.32Å; A486-Q490 PolarHBondContact O-N 3.5Å; R487-Q490 PolarHBondContact O-N 3.34Å; E488-Q490 PolarHBondContact O-N 3.03Å; Q490-N492 VanDerWaalsContact C-N 3.34Å; Q490-N492 PolarHBondContact O-N 3.45Å; Q490-H493 PolarHBondContact O-N 2.96Å; Q490-V494 WeakPolarHBondContact O-CG2 3.24Å; Q490-V494 PolarHBondContact O-N 3.33Å; Q490-V494 VanDerWaalsContact O-N 3.09Å
491S85.6Confident86.9Confident51 Ų5195.6 Ų95.636%0.35747%0.468SS..Hα-helixtrans-65-38.6177.374.50000112.3R487 E488 R495R487-S491 WeakPolarHBondContact O-CB 3.34Å; R487-S491 PolarHBondContact O-N 3.32Å; R487-S491 PolarHBondContact O-OG 3Å; E488-S491 PolarHBondContact O-N 2.88Å; E488-S491 PolarHBondContact O-OG 2.84Å; S491-R495 WeakPolarHBondContact O-CG 3.44Å; S491-R495 PolarHBondContact O-N 2.9Å; S491-R495 VanDerWaalsContact O-N 3.07Å
492N85.6Confident87.4Confident78 Ų7896.6 Ų96.642%0.41747%0.467SS..Hα-helixtrans-67.9-40.2176.1-75.1-19.9000111.7E488 L489 Q490 R495 Q496E488-N492 WeakPolarHBondContact O-CB 3.46Å; E488-N492 VanDerWaalsContact O-CG 3.27Å; E488-N492 PolarHBondContact O-N 3.45Å; E488-N492 PolarHBondContact O-ND2 3.4Å; L489-N492 PolarHBondContact O-N 3.28Å; Q490-N492 VanDerWaalsContact C-N 3.34Å; Q490-N492 PolarHBondContact O-N 3.45Å; N492-R495 PolarHBondContact O-N 3Å; N492-Q496 WeakPolarHBondContact O-CB 3.34Å; N492-Q496 WeakPolarHBondContact O-CG 3.48Å; N492-Q496 PolarHBondContact O-N 3.46Å
493H85.2Confident87.8Confident136 Ų13695 Ų9563%0.6346%0.456SS*.Hα-helixtrans-63.5-43.5176.3-101.3-39.7000112.7L489 Q490 Q496 G497L489-H493 WeakPolarHBondContact O-CB 3.26Å; L489-H493 PolarHBondContact O-N 3.36Å; Q490-H493 PolarHBondContact O-N 2.96Å; H493-Q496 PolarHBondContact O-N 2.91Å; H493-G497 PolarHBondContact O-N 3.43Å
494V87.3Confident88Confident79 Ų7993.4 Ų93.448%0.47946%0.455SS..Hα-helixtrans-63.6-43.9176.8173.90000110.9Q490 G497 Q498Q490-V494 WeakPolarHBondContact O-CG2 3.24Å; Q490-V494 PolarHBondContact O-N 3.33Å; Q490-V494 VanDerWaalsContact O-N 3.09Å; V494-G497 PolarHBondContact O-N 3.47Å; V494-Q498 WeakPolarHBondContact O-CG 3.33Å; V494-Q498 PolarHBondContact O-N 3.19Å
495R86.4Confident88.4Confident130 Ų13089.7 Ų89.749%0.49144%0.441SS..Hα-helixtrans-62.4-45.4176.8-75.3-179.3-175.5-1715112.2S491 N492 Q498 S499S491-R495 WeakPolarHBondContact O-CG 3.44Å; S491-R495 PolarHBondContact O-N 2.9Å; S491-R495 VanDerWaalsContact O-N 3.07Å; N492-R495 PolarHBondContact O-N 3Å; R495-Q498 PolarHBondContact O-N 3.27Å; R495-S499 WeakPolarHBondContact O-CB 3.3Å; R495-S499 PolarHBondContact O-N 3.12Å
496Q86Confident88.6Confident92 Ų9285.2 Ų85.243%0.4342%0.418SS..Hα-helixtrans-63.2-42.1176.7-77.5-175.3-2.900112.3N492 H493 S499 R500N492-Q496 WeakPolarHBondContact O-CB 3.34Å; N492-Q496 WeakPolarHBondContact O-CG 3.48Å; N492-Q496 PolarHBondContact O-N 3.46Å; H493-Q496 PolarHBondContact O-N 2.91Å; Q496-S499 PolarHBondContact O-N 3.07Å; Q496-R500 WeakPolarHBondContact O-CG 3.43Å; Q496-R500 PolarHBondContact O-N 2.85Å
497G87.7Confident88.9Confident40 Ų4085.2 Ų85.241%0.41242%0.418SS..Hα-helixtrans-61.4-46176.400000112.2H493 V494 R500 Y501H493-G497 PolarHBondContact O-N 3.43Å; V494-G497 PolarHBondContact O-N 3.47Å; G497-R500 PolarHBondContact O-N 2.85Å; G497-Y501 PolarHBondContact O-N 3.47Å
498Q89.6Confident89.2Confident84 Ų8481 Ų8139%0.39341%0.412SS..Hα-helixtrans-63.7-44.2175.7-70.6-178.65.200112V494 R495 R500 Y501 F502 K544V494-Q498 WeakPolarHBondContact O-CG 3.33Å; V494-Q498 PolarHBondContact O-N 3.19Å; R495-Q498 PolarHBondContact O-N 3.27Å; Q498-R500 PolarHBondContact O-N 2.85Å; Q498-Y501 PolarHBondContact O-N 3.25Å; Q498-F502 WeakPolarHBondContact O-CD2 3.49Å; Q498-F502 PolarHBondContact O-N 3.21Å; Q498-K544 HydrophobicContact CB-CD 3.94Å
499S89.5Confident89.5Confident3 Ų378.8 Ų78.82%0.02140%0.403CS..Hα-helixtrans-56.3-51.8176167.90000111.1R495 Q496 Y501 F502 L503 G541 T545R495-S499 WeakPolarHBondContact O-CB 3.3Å; R495-S499 PolarHBondContact O-N 3.12Å; Q496-S499 PolarHBondContact O-N 3.07Å; S499-Y501 VanDerWaalsContact C-N 3.31Å; S499-Y501 PolarHBondContact O-N 2.93Å; S499-F502 PolarHBondContact O-N 3.19Å; S499-L503 WeakPolarHBondContact O-CB 3.45Å; S499-L503 VanDerWaalsContact O-CG 3.23Å; S499-L503 WeakPolarHBondContact O-CG 3.42Å; S499-L503 PolarHBondContact O-N 3.2Å; S499-G541 WeakPolarHBondContact CB-O 3.45Å; S499-G541 PolarHBondContact OG-O 2.81Å; S499-T545 PolarHBondContact OG-OG1 2.87Å
500R90Very high89.9Confident183 Ų18376 Ų7669%0.69139%0.389SS*.Hα-helixtrans-57.7-41.8178.2-72.9177.8-179.8-175.71.2112.7Q496 G497 Q498 L503 G504Q496-R500 WeakPolarHBondContact O-CG 3.43Å; Q496-R500 PolarHBondContact O-N 2.85Å; G497-R500 PolarHBondContact O-N 2.85Å; Q498-R500 PolarHBondContact O-N 2.85Å; R500-L503 PolarHBondContact O-N 3.28Å; R500-G504 PolarHBondContact O-N 3.16Å
501Y91.7Very high90.1Very high156 Ų15675.3 Ų75.361%0.61239%0.39SS*.Hα-helixtrans-61.1-48.7177.3-178.6-101.5000112.2G497 Q498 S499 G504 I505G497-Y501 PolarHBondContact O-N 3.47Å; Q498-Y501 PolarHBondContact O-N 3.25Å; S499-Y501 VanDerWaalsContact C-N 3.31Å; S499-Y501 PolarHBondContact O-N 2.93Å; Y501-G504 PolarHBondContact O-N 3.45Å; Y501-I505 HydrophobicContact CD1-CD1 3.8Å; Y501-I505 HydrophobicContact CE1-CD1 3.24Å; Y501-I505 HydrophobicContact CE1-CG1 4.41Å; Y501-I505 HydrophobicContact CE2-CD1 4.12Å; Y501-I505 HydrophobicContact CG-CD1 4.45Å; Y501-I505 VanDerWaalsContact CZ-CD1 3.43Å; Y501-I505 WeakPolarHBondContact O-CG1 3.25Å; Y501-I505 PolarHBondContact O-N 3.01Å
502F93Very high90.4Very high60 Ų6075.5 Ų75.526%0.26339%0.391SS..Hα-helixtrans-66.9-38.4178.3-81.1-67.7000113Q498 S499 G506 A537 V540 G541 K544Q498-F502 WeakPolarHBondContact O-CD2 3.49Å; Q498-F502 PolarHBondContact O-N 3.21Å; S499-F502 PolarHBondContact O-N 3.19Å; F502-G506 PolarHBondContact O-N 3.39Å; F502-A537 WeakPolarHBondContact CB-O 3.1Å; F502-V540 HydrophobicContact CD1-CB 4.46Å; F502-V540 HydrophobicContact CD1-CG1 4.08Å; F502-V540 HydrophobicContact CD2-CG1 4.1Å; F502-V540 HydrophobicContact CE1-CG1 4.17Å; F502-V540 HydrophobicContact CE2-CG1 4.24Å; F502-V540 HydrophobicContact CG-CG1 4.06Å; F502-V540 HydrophobicContact CZ-CG1 4.27Å; F502-G541 VanDerWaalsContact CB-CA 3.48Å; F502-K544 HydrophobicContact CD2-CD 4.19Å; F502-K544 HydrophobicContact CE2-CD 4.24Å
503L92.1Very high90.6Very high51 Ų5171.8 Ų71.827%0.26737%0.371SS..Hα-helixtrans-63.4-40.6174.1-67.2171.6000111.5S499 R500 G506 A507 W538S499-L503 WeakPolarHBondContact O-CB 3.45Å; S499-L503 VanDerWaalsContact O-CG 3.23Å; S499-L503 WeakPolarHBondContact O-CG 3.42Å; S499-L503 PolarHBondContact O-N 3.2Å; R500-L503 PolarHBondContact O-N 3.28Å; L503-G506 PolarHBondContact O-N 2.9Å; L503-A507 PolarHBondContact O-N 3.42Å; L503-W538 HydrophobicContact CD2-CG 3.99Å
504G91.6Very high90.9Very high34 Ų3468.2 Ų68.235%0.35136%0.359SS..Hα-helixtrans-66.8-44.3177.300000113.4R500 Y501 G506 A507 T508R500-G504 PolarHBondContact O-N 3.16Å; Y501-G504 PolarHBondContact O-N 3.45Å; G504-G506 VanDerWaalsContact C-N 3.32Å; G504-G506 PolarHBondContact O-N 3.19Å; G504-A507 PolarHBondContact O-N 3.05Å; G504-T508 WeakPolarHBondContact O-CB 3.36Å; G504-T508 PolarHBondContact O-N 2.59Å; G504-T508 PolarHBondContact O-OG1 3.49Å
505I93.1Very high91Very high56 Ų5671.2 Ų71.229%0.28737%0.366SS..Hα-helixtrans-60.1-45.6172.2-72174.9000110.3Y501 A507 T508 L509 A537Y501-I505 HydrophobicContact CD1-CD1 3.8Å; Y501-I505 HydrophobicContact CE1-CD1 3.24Å; Y501-I505 HydrophobicContact CE1-CG1 4.41Å; Y501-I505 HydrophobicContact CE2-CD1 4.12Å; Y501-I505 HydrophobicContact CG-CD1 4.45Å; Y501-I505 VanDerWaalsContact CZ-CD1 3.43Å; Y501-I505 WeakPolarHBondContact O-CG1 3.25Å; Y501-I505 PolarHBondContact O-N 3.01Å; I505-A507 PolarHBondContact O-N 2.91Å; I505-T508 PolarHBondContact O-N 3.4Å; I505-L509 HydrophobicContact CG2-CD1 3.74Å; I505-L509 HydrophobicContact CG2-CG 4.26Å; I505-L509 WeakPolarHBondContact O-CB 3.03Å; I505-L509 WeakPolarHBondContact O-CG 3.28Å; I505-L509 PolarHBondContact O-N 2.81Å; I505-A537 HydrophobicContact CG2-CB 4.1Å
506G92.8Very high91.2Very high1 Ų166.9 Ų66.91%0.0135%0.352CS..Hα-helixtrans-56.5-50179.100000112.6F502 L503 G504 T508 L509 V510 G534F502-G506 PolarHBondContact O-N 3.39Å; L503-G506 PolarHBondContact O-N 2.9Å; G504-G506 VanDerWaalsContact C-N 3.32Å; G504-G506 PolarHBondContact O-N 3.19Å; G506-T508 PolarHBondContact O-N 3.13Å; G506-L509 PolarHBondContact O-N 2.74Å; G506-V510 WeakPolarHBondContact O-CG2 3.34Å; G506-V510 PolarHBondContact O-N 2.72Å; G506-G534 WeakPolarHBondContact CA-O 3.43Å
507A92.5Very high91.3Very high49 Ų4967.2 Ų67.241%0.40536%0.356SS..Hα-helixtrans-60.9-43.7176.900000112.4L503 G504 I505 L509 V510 L511L503-A507 PolarHBondContact O-N 3.42Å; G504-A507 PolarHBondContact O-N 3.05Å; I505-A507 PolarHBondContact O-N 2.91Å; A507-L509 PolarHBondContact O-N 3.05Å; A507-V510 PolarHBondContact O-N 2.95Å; A507-L511 WeakPolarHBondContact O-CB 3.47Å; A507-L511 VanDerWaalsContact O-CG 3.3Å; A507-L511 WeakPolarHBondContact O-CG 3.33Å; A507-L511 PolarHBondContact O-N 2.78Å
508T93.7Very high91.3Very high83 Ų8370.4 Ų70.451%0.50937%0.368SS..Hα-helixtrans-63.9-42.8-179.3-53.60000111.8G504 I505 G506 S512G504-T508 WeakPolarHBondContact O-CB 3.36Å; G504-T508 PolarHBondContact O-N 2.59Å; G504-T508 PolarHBondContact O-OG1 3.49Å; I505-T508 PolarHBondContact O-N 3.4Å; G506-T508 PolarHBondContact O-N 3.13Å; T508-S512 VanDerWaalsContact O-CB 3.28Å; T508-S512 WeakPolarHBondContact O-CB 3.35Å; T508-S512 PolarHBondContact O-N 3Å; T508-S512 PolarHBondContact O-OG 3.21Å
509L93.6Very high91.2Very high51 Ų5168.9 Ų68.927%0.26737%0.366SS..Hα-helixtrans-67.2-40.9177.8-75.3174.4000112.3I505 G506 A507 G513 L530I505-L509 HydrophobicContact CG2-CD1 3.74Å; I505-L509 HydrophobicContact CG2-CG 4.26Å; I505-L509 WeakPolarHBondContact O-CB 3.03Å; I505-L509 WeakPolarHBondContact O-CG 3.28Å; I505-L509 PolarHBondContact O-N 2.81Å; G506-L509 PolarHBondContact O-N 2.74Å; A507-L509 PolarHBondContact O-N 3.05Å; L509-G513 PolarHBondContact O-N 3.36Å; L509-L530 HydrophobicContact CD2-CD2 3.82Å
510V92.7Very high91Very high41 Ų4174.6 Ų74.625%0.24839%0.387CS..Hα-helixtrans-65.8-43.2176.1172.30000111.1G506 A507 T514 M531 L535G506-V510 WeakPolarHBondContact O-CG2 3.34Å; G506-V510 PolarHBondContact O-N 2.72Å; A507-V510 PolarHBondContact O-N 2.95Å; V510-T514 WeakPolarHBondContact O-CB 3.49Å; V510-T514 PolarHBondContact O-N 2.89Å; V510-T514 PolarHBondContact O-OG1 2.79Å; V510-M531 HydrophobicContact CG1-CE 4.42Å; V510-L535 HydrophobicContact CG2-CG 4.45Å
511L92.6Very high90.6Very high124 Ų12470.5 Ų70.565%0.64938%0.384SS*.Hα-helixtrans-64.7-45.4176.9-74.5170.4000111.6A507 T514 F515A507-L511 WeakPolarHBondContact O-CB 3.47Å; A507-L511 VanDerWaalsContact O-CG 3.3Å; A507-L511 WeakPolarHBondContact O-CG 3.33Å; A507-L511 PolarHBondContact O-N 2.78Å; L511-T514 PolarHBondContact O-N 2.81Å; L511-F515 WeakPolarHBondContact O-CB 3.23Å; L511-F515 PolarHBondContact O-N 2.79Å
512S91Very high90.2Very high55 Ų5569 Ų6939%0.38538%0.383SS..Hα-helixtrans-64.7-42.3178.5-56.90000111.8T508 F515 L516T508-S512 VanDerWaalsContact O-CB 3.28Å; T508-S512 WeakPolarHBondContact O-CB 3.35Å; T508-S512 PolarHBondContact O-N 3Å; T508-S512 PolarHBondContact O-OG 3.21Å; S512-F515 PolarHBondContact O-N 3.39Å; S512-L516 WeakPolarHBondContact O-CB 3.37Å; S512-L516 WeakPolarHBondContact O-CG 3.33Å; S512-L516 PolarHBondContact O-N 3.47Å
513G90.9Very high89.6Confident0 Ų072.7 Ų72.70%040%0.395CS..Hα-helixtrans-62.1-44173.800000111.9L509 F515 L516 L517 P527L509-G513 PolarHBondContact O-N 3.36Å; G513-F515 PolarHBondContact O-N 3.3Å; G513-L516 PolarHBondContact O-N 2.92Å; G513-L517 WeakPolarHBondContact O-CB 3.36Å; G513-L517 PolarHBondContact O-N 2.87Å; G513-P527 WeakPolarHBondContact O-CB 3.17Å
514T90.5Very high89.1Confident60 Ų6073 Ų7337%0.36841%0.411SS..Hα-helixtrans-61.4-45.5176.1-54.30000111.5V510 L511 L516 L517 V518V510-T514 WeakPolarHBondContact O-CB 3.49Å; V510-T514 PolarHBondContact O-N 2.89Å; V510-T514 PolarHBondContact O-OG1 2.79Å; L511-T514 PolarHBondContact O-N 2.81Å; T514-L516 PolarHBondContact O-N 3.42Å; T514-L517 PolarHBondContact O-N 2.84Å; T514-V518 WeakPolarHBondContact O-CG2 3.4Å; T514-V518 PolarHBondContact O-N 2.88Å; T514-V518 VanDerWaalsContact O-N 3.1Å
515F90.9Very high88.8Confident143 Ų14378 Ų7863%0.62743%0.429SS*.Hα-helixtrans-63-41.5178.4-178.7-98.7000112.4L511 S512 G513 V518 S519L511-F515 WeakPolarHBondContact O-CB 3.23Å; L511-F515 PolarHBondContact O-N 2.79Å; S512-F515 PolarHBondContact O-N 3.39Å; G513-F515 PolarHBondContact O-N 3.3Å; F515-V518 PolarHBondContact O-N 3.23Å; F515-S519 WeakPolarHBondContact CZ-OG 3.44Å; F515-S519 VanDerWaalsContact O-CB 3.25Å; F515-S519 WeakPolarHBondContact O-CB 3.19Å; F515-S519 PolarHBondContact O-N 3.18Å; F515-S519 PolarHBondContact O-OG 3.02Å
516L89.4Confident88.4Confident39 Ų3980.8 Ų80.820%0.20444%0.442CS..Hα-helixtrans-66.8-37.9176.2-76171.7000112.3S512 G513 T514 V518 S519 R520 W523 P527 L530S512-L516 WeakPolarHBondContact O-CB 3.37Å; S512-L516 WeakPolarHBondContact O-CG 3.33Å; S512-L516 PolarHBondContact O-N 3.47Å; G513-L516 PolarHBondContact O-N 2.92Å; T514-L516 PolarHBondContact O-N 3.42Å; L516-V518 VanDerWaalsContact C-N 3.28Å; L516-V518 PolarHBondContact O-N 3.18Å; L516-S519 PolarHBondContact O-N 3.14Å; L516-R520 CarbonylContact O-C 3.47Å; L516-R520 WeakPolarHBondContact O-CA 3.29Å; L516-R520 PolarHBondContact O-N 2.98Å; L516-W523 HydrophobicContact CD1-CZ3 4.36Å; L516-W523 HydrophobicContact CD2-CE3 4.11Å; L516-W523 HydrophobicContact CD2-CH2 4.42Å; L516-W523 HydrophobicContact CD2-CZ3 3.75Å; L516-P527 HydrophobicContact CB-CB 4.38Å; L516-P527 HydrophobicContact CB-CG 4.12Å; L516-L530 HydrophobicContact CD1-CD1 3.53Å
517L89Confident88.1Confident98 Ų9880.9 Ų80.951%0.51344%0.442SS..Hα-helixtrans-63.5-35.9176-169.2134.8000112G513 T514 P527G513-L517 WeakPolarHBondContact O-CB 3.36Å; G513-L517 PolarHBondContact O-N 2.87Å; T514-L517 PolarHBondContact O-N 2.84Å; L517-P527 HydrophobicContact CB-CB 3.78Å; L517-P527 HydrophobicContact CB-CG 4.27Å; L517-P527 HydrophobicContact CD1-CB 4.15Å; L517-P527 HydrophobicContact CG-CB 4.46Å
518V87.8Confident87.9Confident108 Ų10880.4 Ų80.466%0.65544%0.442SS*.Hα-helixtrans-78.1-41.8176.7174.30000112.1T514 F515 L516T514-V518 WeakPolarHBondContact O-CG2 3.4Å; T514-V518 PolarHBondContact O-N 2.88Å; T514-V518 VanDerWaalsContact O-N 3.1Å; F515-V518 PolarHBondContact O-N 3.23Å; L516-V518 VanDerWaalsContact C-N 3.28Å; L516-V518 PolarHBondContact O-N 3.18Å
519S87.5Confident87.8Confident51 Ų5185.3 Ų85.336%0.35745%0.452SS..Hα-helixtrans-87.4-26.8-170.9-52.40000113.9F515 L516F515-S519 WeakPolarHBondContact CZ-OG 3.44Å; F515-S519 VanDerWaalsContact O-CB 3.25Å; F515-S519 WeakPolarHBondContact O-CB 3.19Å; F515-S519 PolarHBondContact O-N 3.18Å; F515-S519 PolarHBondContact O-OG 3.02Å; L516-S519 PolarHBondContact O-N 3.14Å
520R85.4Confident87.6Confident123 Ų12385.2 Ų85.246%0.46445%0.451SS..  trans-142.168.4-172.3-66.9-65.4-172.5145.52.7111.7L516 E522 W523L516-R520 CarbonylContact O-C 3.47Å; L516-R520 WeakPolarHBondContact O-CA 3.29Å; L516-R520 PolarHBondContact O-N 2.98Å; R520-E522 WeakPolarHBondContact CD-OE1 3.42Å; R520-E522 IonicContact CZ-OE1 3.77Å; R520-E522 IonicContact NE-OE1 3.89Å; R520-E522 IonicContact NH1-OE1 2.85Å; R520-E522 PolarHBondContact NH1-OE1 3.29Å; R520-E522 PolarHBondContact O-N 2.6Å; R520-W523 HydrophobicContact CB-CD2 4.23Å; R520-W523 HydrophobicContact CB-CG 4.22Å; R520-W523 PolarHBondContact O-N 2.8Å
521P80.2Confident87.6Confident97 Ų9786.1 Ų86.163%0.6345%0.453SS*.G310 helixtrans-63.6-21.4179.912.1-11.3000113.3W523 G524P521-W523 PolarHBondContact O-N 2.84Å; P521-W523 VanDerWaalsContact O-N 3.12Å; P521-G524 PolarHBondContact O-N 3.2Å
522E83.7Confident87.5Confident126 Ų12682.2 Ų82.259%0.58944%0.439SS*.G310 helixtrans-60.8-16.4175.261-113.2-156.700114.8R520 G524R520-E522 WeakPolarHBondContact CD-OE1 3.42Å; R520-E522 IonicContact CZ-OE1 3.77Å; R520-E522 IonicContact NE-OE1 3.89Å; R520-E522 IonicContact NH1-OE1 2.85Å; R520-E522 PolarHBondContact NH1-OE1 3.29Å; R520-E522 PolarHBondContact O-N 2.6Å; E522-G524 PolarHBondContact O-N 3.01Å
523W81.2Confident87.6Confident137 Ų13781 Ų8152%0.51943%0.434SS..G310 helixtrans-82.25.8-177.6-70.511.6000114.3L516 R520 P521 L525 M526L516-W523 HydrophobicContact CD1-CZ3 4.36Å; L516-W523 HydrophobicContact CD2-CE3 4.11Å; L516-W523 HydrophobicContact CD2-CH2 4.42Å; L516-W523 HydrophobicContact CD2-CZ3 3.75Å; R520-W523 HydrophobicContact CB-CD2 4.23Å; R520-W523 HydrophobicContact CB-CG 4.22Å; R520-W523 PolarHBondContact O-N 2.8Å; P521-W523 PolarHBondContact O-N 2.84Å; P521-W523 VanDerWaalsContact O-N 3.12Å; W523-L525 PolarHBondContact O-N 2.86Å; W523-L525 VanDerWaalsContact O-N 3.15Å; W523-M526 HydrophobicContact CB-CB 4.49Å; W523-M526 PolarHBondContact O-N 2.97Å
524G81.1Confident87.7Confident57 Ų5781 Ų8159%0.58843%0.434SS*.THydrogen-bonded Turntrans57.8-116.1170.400000113.4P521 E522 P527P521-G524 PolarHBondContact O-N 3.2Å; E522-G524 PolarHBondContact O-N 3.01Å; G524-P527 WeakPolarHBondContact O-CD 3.12Å
525L84.5Confident87.8Confident139 Ų13982.9 Ų82.973%0.72844%0.442SS*.THydrogen-bonded Turntrans-84.1-11.4-171.8-67.1169000114.8W523 G528 W529W523-L525 PolarHBondContact O-N 2.86Å; W523-L525 VanDerWaalsContact O-N 3.15Å; L525-G528 PolarHBondContact O-N 2.97Å; L525-G528 VanDerWaalsContact O-N 3.15Å; L525-W529 VanDerWaalsContact O-CD1 3.26Å; L525-W529 PolarHBondContact O-N 3.09Å; L525-W529 VanDerWaalsContact O-N 3.14Å
526M84.5Confident87.9Confident115 Ų11581.5 Ų81.557%0.56744%0.44SS*.Hα-helixtrans-57.5-46.6-175.5-117.3-63.8-178.500113.9W523 G528 W529 L530W523-M526 HydrophobicContact CB-CB 4.49Å; W523-M526 PolarHBondContact O-N 2.97Å; M526-G528 VanDerWaalsContact C-N 3.26Å; M526-G528 PolarHBondContact O-N 3.09Å; M526-W529 PolarHBondContact O-N 3.27Å; M526-L530 PolarHBondContact O-N 3.48Å; M526-L530 VanDerWaalsContact O-N 3.17Å
527P88Confident88.1Confident3 Ų380.2 Ų80.22%0.01944%0.435CS..Hα-helixtrans-59.2-37.2176.2-2434.4000113G513 L516 L517 G524 L530 M531G513-P527 WeakPolarHBondContact O-CB 3.17Å; L516-P527 HydrophobicContact CB-CB 4.38Å; L516-P527 HydrophobicContact CB-CG 4.12Å; L517-P527 HydrophobicContact CB-CB 3.78Å; L517-P527 HydrophobicContact CB-CG 4.27Å; L517-P527 HydrophobicContact CD1-CB 4.15Å; L517-P527 HydrophobicContact CG-CB 4.46Å; G524-P527 WeakPolarHBondContact O-CD 3.12Å; P527-L530 PolarHBondContact O-N 3Å; P527-M531 WeakPolarHBondContact O-CG 3.36Å; P527-M531 PolarHBondContact O-N 3.18Å
528G88.6Confident88.2Confident39 Ų3982.5 Ų82.540%0.40244%0.437SS..Hα-helixtrans-64-41.7176.700000112.8L525 M526 M531 A532L525-G528 PolarHBondContact O-N 2.97Å; L525-G528 VanDerWaalsContact O-N 3.15Å; M526-G528 VanDerWaalsContact C-N 3.26Å; M526-G528 PolarHBondContact O-N 3.09Å; G528-M531 PolarHBondContact O-N 2.98Å; G528-A532 WeakPolarHBondContact O-CB 3.25Å; G528-A532 PolarHBondContact O-N 3.36Å
529W90.7Very high88.4Confident186 Ų18683.2 Ų83.271%0.70543%0.432SS*.Hα-helixtrans-63.5-39.6175-76.7110.5000112.7L525 M526 A532 G533L525-W529 VanDerWaalsContact O-CD1 3.26Å; L525-W529 PolarHBondContact O-N 3.09Å; L525-W529 VanDerWaalsContact O-N 3.14Å; M526-W529 PolarHBondContact O-N 3.27Å; W529-A532 PolarHBondContact O-N 3.49Å; W529-G533 PolarHBondContact O-N 2.93Å
530L90.4Very high88.6Confident49 Ų4983.3 Ų83.326%0.25743%0.43SS..Hα-helixtrans-64.1-45.5175.1-75169.6000111.8L509 L516 M526 P527 G533 G534L509-L530 HydrophobicContact CD2-CD2 3.82Å; L516-L530 HydrophobicContact CD1-CD1 3.53Å; M526-L530 PolarHBondContact O-N 3.48Å; M526-L530 VanDerWaalsContact O-N 3.17Å; P527-L530 PolarHBondContact O-N 3Å; L530-G533 PolarHBondContact O-N 3.15Å; L530-G534 PolarHBondContact O-N 3.35Å
531M91Very high88.9Confident60 Ų6077.4 Ų77.430%0.29641%0.407SS..Hα-helixtrans-63.4-42176.3-69178.771.200112V510 P527 G528 G534 L535V510-M531 HydrophobicContact CG1-CE 4.42Å; P527-M531 WeakPolarHBondContact O-CG 3.36Å; P527-M531 PolarHBondContact O-N 3.18Å; G528-M531 PolarHBondContact O-N 2.98Å; M531-G534 PolarHBondContact O-N 3.42Å; M531-L535 WeakPolarHBondContact O-CG 3.16Å; M531-L535 PolarHBondContact O-N 3.32Å
532A91.7Very high89.3Confident41 Ų4178.4 Ų78.434%0.33940%0.399SS..Hα-helixtrans-61.7-45.6175.900000111.7G528 W529 G534 L535 I536G528-A532 WeakPolarHBondContact O-CB 3.25Å; G528-A532 PolarHBondContact O-N 3.36Å; W529-A532 PolarHBondContact O-N 3.49Å; A532-G534 VanDerWaalsContact C-N 3.28Å; A532-G534 PolarHBondContact O-N 2.91Å; A532-L535 PolarHBondContact O-N 2.98Å; A532-I536 VanDerWaalsContact O-CG1 3.31Å; A532-I536 WeakPolarHBondContact O-CG1 3.47Å; A532-I536 PolarHBondContact O-N 2.83Å
533G92.7Very high89.6Confident29 Ų2981.2 Ų81.230%0.29940%0.404SS..Hα-helixtrans-59.7-39.2173.500000112.5W529 L530 I536 A537W529-G533 PolarHBondContact O-N 2.93Å; L530-G533 PolarHBondContact O-N 3.15Å; G533-I536 PolarHBondContact O-N 3.38Å; G533-A537 WeakPolarHBondContact O-CB 3.37Å; G533-A537 PolarHBondContact O-N 3.22Å
534G93.1Very high89.8Confident0 Ų078 Ų780%039%0.393CS..Hα-helixtrans-64.5-44175.100000113.4G506 L530 M531 A532 I536 A537 W538G506-G534 WeakPolarHBondContact CA-O 3.43Å; L530-G534 PolarHBondContact O-N 3.35Å; M531-G534 PolarHBondContact O-N 3.42Å; A532-G534 VanDerWaalsContact C-N 3.28Å; A532-G534 PolarHBondContact O-N 2.91Å; G534-I536 VanDerWaalsContact C-N 3.35Å; G534-I536 PolarHBondContact O-N 3.44Å; G534-A537 PolarHBondContact O-N 2.96Å; G534-W538 WeakPolarHBondContact O-CB 3.27Å; G534-W538 PolarHBondContact O-N 3.03Å
535L92.4Very high89.9Confident101 Ų10179 Ų7953%0.52939%0.388SS..Hα-helixtrans-63.5-39175.2-72.9171.7000112.1V510 M531 A532 W538 F539V510-L535 HydrophobicContact CG2-CG 4.45Å; M531-L535 WeakPolarHBondContact O-CG 3.16Å; M531-L535 PolarHBondContact O-N 3.32Å; A532-L535 PolarHBondContact O-N 2.98Å; L535-W538 PolarHBondContact O-N 3.09Å; L535-F539 WeakPolarHBondContact O-CB 3.48Å; L535-F539 PolarHBondContact O-N 3.11Å
536I93.7Very high89.4Confident114 Ų11482.9 Ų82.959%0.58539%0.393SS*.Hα-helixtrans-63.4-48.6174.8-68.1165.8000110.4A532 G533 G534 W538 F539 V540A532-I536 VanDerWaalsContact O-CG1 3.31Å; A532-I536 WeakPolarHBondContact O-CG1 3.47Å; A532-I536 PolarHBondContact O-N 2.83Å; G533-I536 PolarHBondContact O-N 3.38Å; G534-I536 VanDerWaalsContact C-N 3.35Å; G534-I536 PolarHBondContact O-N 3.44Å; I536-W538 VanDerWaalsContact C-N 3.3Å; I536-W538 PolarHBondContact O-N 2.91Å; I536-F539 PolarHBondContact O-N 2.99Å; I536-V540 WeakPolarHBondContact O-CG2 3.38Å; I536-V540 PolarHBondContact O-N 2.77Å
537A92.7Very high89.6Confident12 Ų1281.3 Ų81.310%0.09939%0.385CS..Hα-helixtrans-59.4-42.917700000111.3F502 I505 G533 G534 F539 V540 G541F502-A537 WeakPolarHBondContact CB-O 3.1Å; I505-A537 HydrophobicContact CG2-CB 4.1Å; G533-A537 WeakPolarHBondContact O-CB 3.37Å; G533-A537 PolarHBondContact O-N 3.22Å; G534-A537 PolarHBondContact O-N 2.96Å; A537-F539 PolarHBondContact O-N 3.37Å; A537-V540 PolarHBondContact O-N 2.81Å; A537-G541 PolarHBondContact O-N 2.83Å
538W91.9Very high89.7Confident145 Ų14585.4 Ų85.455%0.54940%0.404SS..Hα-helixtrans-61.1-43.9176.4-17068.4000112.3L503 G534 L535 I536 G541 W542L503-W538 HydrophobicContact CD2-CG 3.99Å; G534-W538 WeakPolarHBondContact O-CB 3.27Å; G534-W538 PolarHBondContact O-N 3.03Å; L535-W538 PolarHBondContact O-N 3.09Å; I536-W538 VanDerWaalsContact C-N 3.3Å; I536-W538 PolarHBondContact O-N 2.91Å; W538-G541 PolarHBondContact O-N 2.8Å; W538-W542 PolarHBondContact O-N 3.02Å
539F91.7Very high89.8Confident124 Ų12487.9 Ų87.954%0.54440%0.404SS..Hα-helixtrans-63.7-41.8176.1-174.7-100.3000112.7L535 I536 A537 G541 W542 R543L535-F539 WeakPolarHBondContact O-CB 3.48Å; L535-F539 PolarHBondContact O-N 3.11Å; I536-F539 PolarHBondContact O-N 2.99Å; A537-F539 PolarHBondContact O-N 3.37Å; F539-G541 VanDerWaalsContact C-N 3.34Å; F539-W542 HydrophobicContact CE2-CE3 4.35Å; F539-W542 HydrophobicContact CE2-CZ3 4.41Å; F539-W542 PolarHBondContact O-N 3.29Å; F539-R543 WeakPolarHBondContact O-CB 3.4Å; F539-R543 PolarHBondContact O-N 2.64Å
540V92.4Very high89.7Confident52 Ų5282.2 Ų82.232%0.31539%0.386SS..Hα-helixtrans-62.4-42.9174.71720000110.9F502 I536 A537 R543 K544F502-V540 HydrophobicContact CD1-CB 4.46Å; F502-V540 HydrophobicContact CD1-CG1 4.08Å; F502-V540 HydrophobicContact CD2-CG1 4.1Å; F502-V540 HydrophobicContact CE1-CG1 4.17Å; F502-V540 HydrophobicContact CE2-CG1 4.24Å; F502-V540 HydrophobicContact CG-CG1 4.06Å; F502-V540 HydrophobicContact CZ-CG1 4.27Å; I536-V540 WeakPolarHBondContact O-CG2 3.38Å; I536-V540 PolarHBondContact O-N 2.77Å; A537-V540 PolarHBondContact O-N 2.81Å; V540-R543 PolarHBondContact O-N 3.37Å; V540-K544 WeakPolarHBondContact O-CG 3.24Å; V540-K544 PolarHBondContact O-N 3.18Å
541G91.3Very high89.7Confident0 Ų084.3 Ų84.30%039%0.394CS..Hα-helixtrans-60.1-50.2175.200000112S499 F502 A537 W538 F539 R543 K544 T545S499-G541 WeakPolarHBondContact CB-O 3.45Å; S499-G541 PolarHBondContact OG-O 2.81Å; F502-G541 VanDerWaalsContact CB-CA 3.48Å; A537-G541 PolarHBondContact O-N 2.83Å; W538-G541 PolarHBondContact O-N 2.8Å; F539-G541 VanDerWaalsContact C-N 3.34Å; G541-R543 VanDerWaalsContact C-N 3.34Å; G541-R543 PolarHBondContact O-N 3.43Å; G541-K544 PolarHBondContact O-N 3.32Å; G541-K544 VanDerWaalsContact O-N 3.12Å; G541-T545 PolarHBondContact O-N 3.17Å; G541-T545 PolarHBondContact O-OG1 3.35Å
542W89Confident89.6Confident118 Ų11885.9 Ų85.945%0.44740%0.401SS..Hα-helixtrans-56.5-46.7177.5-177.373.2000112.1W538 F539 K544 T545W538-W542 PolarHBondContact O-N 3.02Å; F539-W542 HydrophobicContact CE2-CE3 4.35Å; F539-W542 HydrophobicContact CE2-CZ3 4.41Å; F539-W542 PolarHBondContact O-N 3.29Å; W542-K544 VanDerWaalsContact C-N 3.27Å; W542-K544 PolarHBondContact O-N 2.87Å; W542-T545 WeakPolarHBondContact O-CB 3.21Å; W542-T545 PolarHBondContact O-N 2.94Å; W542-T545 PolarHBondContact O-OG1 3.12Å
543R89.1Confident89.4Confident184 Ų18489.1 Ų89.169%0.69441%0.405SS*.Hα-helixtrans-62.1-30.7178.9-168.1179.2177.5-177.50.6113.2F539 V540 G541 T545F539-R543 WeakPolarHBondContact O-CB 3.4Å; F539-R543 PolarHBondContact O-N 2.64Å; V540-R543 PolarHBondContact O-N 3.37Å; G541-R543 VanDerWaalsContact C-N 3.34Å; G541-R543 PolarHBondContact O-N 3.43Å; R543-T545 VanDerWaalsContact C-N 3.28Å
544K86.2Confident89.2Confident69 Ų6993.7 Ų93.730%0.341%0.414SS..Hα-helixtrans-77.7-10.5176.1-74.7-170.3174.5-162.80114.4Q498 F502 V540 G541 W542Q498-K544 HydrophobicContact CB-CD 3.94Å; F502-K544 HydrophobicContact CD2-CD 4.19Å; F502-K544 HydrophobicContact CE2-CD 4.24Å; V540-K544 WeakPolarHBondContact O-CG 3.24Å; V540-K544 PolarHBondContact O-N 3.18Å; G541-K544 PolarHBondContact O-N 3.32Å; G541-K544 VanDerWaalsContact O-N 3.12Å; W542-K544 VanDerWaalsContact C-N 3.27Å; W542-K544 PolarHBondContact O-N 2.87Å
545T82.3Confident88.9Confident79 Ų79101.5 Ų101.549%0.48545%0.448SS..Hα-helixtrans-85.5-23.8178.2-20.70000112.6S499 G541 W542 R543S499-T545 PolarHBondContact OG-OG1 2.87Å; G541-T545 PolarHBondContact O-N 3.17Å; G541-T545 PolarHBondContact O-OG1 3.35Å; W542-T545 WeakPolarHBondContact O-CB 3.21Å; W542-T545 PolarHBondContact O-N 2.94Å; W542-T545 PolarHBondContact O-OG1 3.12Å; R543-T545 VanDerWaalsContact C-N 3.28Å
546R73.7Confident88.5Confident220 Ų220101.5 Ų101.583%0.8344%0.441SS*.  trans-85.10167.3-70.4-175.1175.2-171.3-1.9109.1

Retrieved 546 of 546 residues in 211.2 ms (Link to these results)

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