A0A087X3W1_POEFO Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X3W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1V56.3Low70.9Confident122 Ų122110.6 Ų110.674%0.73953%0.53SS*.  0-47.50-165.30000113.5R3 L4 L9 F31V1-R3 PolarHBondContact O-N 2.9Å; V1-L4 HydrophobicContact CG1-CD1 4.42Å; V1-L4 PolarHBondContact O-N 3.44Å; V1-L9 HydrophobicContact CG1-CD2 4.05Å; V1-F31 HydrophobicContact CG1-CZ 3.76Å
2K50.2Low71.8Confident193 Ų193108.4 Ų108.484%0.83952%0.521SS*.THydrogen-bonded Turntrans-61.93.4175.7-71.5-174.6177.8179.40116.8
3R59Low72.5Confident247 Ų247100.3 Ų100.393%0.93248%0.482SS*.THydrogen-bonded Turntrans-121.28.1-179.2-68.7-173.7176.7-178.4-1.3113V1V1-R3 PolarHBondContact O-N 2.9Å
4L71.8Confident73.1Confident76 Ų7695.8 Ų95.840%0.39847%0.467SS..SBendtrans-87.8141.5178.4-74.4164.5000110.2V1 I8 L9V1-L4 HydrophobicContact CG1-CD1 4.42Å; V1-L4 PolarHBondContact O-N 3.44Å; L4-I8 HydrophobicContact CD2-CG2 4.44Å; L4-L9 HydrophobicContact CB-CD1 4.32Å; L4-L9 HydrophobicContact CB-CD2 4.22Å; L4-L9 HydrophobicContact CB-CG 4.04Å; L4-L9 HydrophobicContact CD1-CD2 4.08Å
5P81.6Confident73.6Confident67 Ų67101.2 Ų101.244%0.43548%0.482SS..  trans-55.6145.4169.2-22.231.3000112.1E7 I8 L9P5-E7 VanDerWaalsContact CB-OE2 3.29Å; P5-E7 WeakPolarHBondContact CB-OE2 3.4Å; P5-E7 PolarHBondContact O-N 2.97Å; P5-I8 HydrophobicContact CB-CD1 4.46Å; P5-I8 HydrophobicContact CB-CG1 4.28Å; P5-I8 HydrophobicContact CG-CD1 4.01Å; P5-I8 HydrophobicContact CG-CG1 4.36Å; P5-I8 PolarHBondContact O-N 3.1Å; P5-I8 VanDerWaalsContact O-N 3.16Å; P5-L9 PolarHBondContact O-N 2.86Å
6L72.1Confident74Confident91 Ų9197.9 Ų97.948%0.47647%0.467SS..Hα-helixtrans-60.9-33.6-177.5-72.1169000111.7I8 L9 D10 L30 L34L6-I8 VanDerWaalsContact C-N 3.33Å; L6-I8 PolarHBondContact O-N 2.71Å; L6-L9 PolarHBondContact O-N 2.98Å; L6-D10 PolarHBondContact O-N 3.4Å; L6-L30 HydrophobicContact CD2-CD1 4.31Å; L6-L34 HydrophobicContact CD2-CD1 4.48Å; L6-L34 HydrophobicContact CD2-CD2 4.25Å
7E75.5Confident74.1Confident139 Ų13995.6 Ų95.665%0.6546%0.458SS*.Hα-helixtrans-66.3-35.9179.8-56.475.4-165.700111.8P5 K11P5-E7 VanDerWaalsContact CB-OE2 3.29Å; P5-E7 WeakPolarHBondContact CB-OE2 3.4Å; P5-E7 PolarHBondContact O-N 2.97Å; E7-K11 WeakPolarHBondContact O-CB 3.4Å; E7-K11 PolarHBondContact O-N 3.34Å; E7-K11 VanDerWaalsContact O-N 3.11Å
8I77.9Confident74.1Confident83 Ų8390.8 Ų90.843%0.42644%0.437SS..Hα-helixtrans-72.9-39.2176.2-60.6-174000109.7L4 P5 L6 K11 I12L4-I8 HydrophobicContact CD2-CG2 4.44Å; P5-I8 HydrophobicContact CB-CD1 4.46Å; P5-I8 HydrophobicContact CB-CG1 4.28Å; P5-I8 HydrophobicContact CG-CD1 4.01Å; P5-I8 HydrophobicContact CG-CG1 4.36Å; P5-I8 PolarHBondContact O-N 3.1Å; P5-I8 VanDerWaalsContact O-N 3.16Å; L6-I8 VanDerWaalsContact C-N 3.33Å; L6-I8 PolarHBondContact O-N 2.71Å; I8-K11 PolarHBondContact O-N 3.13Å; I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.09Å
9L78.5Confident73.9Confident13 Ų1386.3 Ų86.37%0.06842%0.415CS..Hα-helixtrans-64.4-46.8176.1-70.6168.9000111.5V1 L4 P5 L6 K11 I12 L13 L34V1-L9 HydrophobicContact CG1-CD2 4.05Å; L4-L9 HydrophobicContact CB-CD1 4.32Å; L4-L9 HydrophobicContact CB-CD2 4.22Å; L4-L9 HydrophobicContact CB-CG 4.04Å; L4-L9 HydrophobicContact CD1-CD2 4.08Å; P5-L9 PolarHBondContact O-N 2.86Å; L6-L9 PolarHBondContact O-N 2.98Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.18Å; L9-I12 PolarHBondContact O-N 3.16Å; L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.68Å; L9-L34 HydrophobicContact CB-CD1 4.39Å; L9-L34 HydrophobicContact CD1-CD1 4.43Å
10D76.6Confident73.8Confident54 Ų5483.3 Ų83.329%0.28941%0.405SS..Hα-helixtrans-60.6-39.2176.2-84.2-20.1000112L6 L13 S14 L34L6-D10 PolarHBondContact O-N 3.4Å; D10-L13 PolarHBondContact O-N 2.93Å; D10-S14 WeakPolarHBondContact O-CB 3.35Å; D10-S14 PolarHBondContact O-N 2.98Å; D10-L34 WeakPolarHBondContact OD1-CD2 3.36Å
11K80.2Confident74.1Confident132 Ų13279.3 Ų79.357%0.57439%0.386SS*.Hα-helixtrans-63.9-44.5175.1-171168.5-176.4178.60111.6E7 I8 L9 S14 Y15E7-K11 WeakPolarHBondContact O-CB 3.4Å; E7-K11 PolarHBondContact O-N 3.34Å; E7-K11 VanDerWaalsContact O-N 3.11Å; I8-K11 PolarHBondContact O-N 3.13Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.18Å; K11-S14 PolarHBondContact O-N 3.33Å; K11-S14 PolarHBondContact O-OG 2.58Å; K11-Y15 HydrophobicContact CG-CE2 3.95Å; K11-Y15 WeakPolarHBondContact O-CD2 3.34Å; K11-Y15 WeakPolarHBondContact O-CE2 3.5Å
12I82Confident74.9Confident84 Ų8476.1 Ų76.143%0.43136%0.362SS..Hα-helixtrans-60.1-47.9174.9-68.6163.4000110.5I8 L9 S14 Y15I8-I12 HydrophobicContact CG2-CD1 4.01Å; I8-I12 VanDerWaalsContact O-CG1 3.26Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.09Å; L9-I12 PolarHBondContact O-N 3.16Å; I12-S14 PolarHBondContact O-N 3.3Å; I12-Y15 PolarHBondContact O-N 3.24Å; I12-Y15 VanDerWaalsContact O-N 3.16Å
13L81.6Confident75.8Confident3 Ų367.9 Ų67.92%0.01633%0.327CS..Hα-helixtrans-61.2-30.3178.8-67.1173.8000112.3L9 D10 Y15 L16 L21 M24 L34 L40L9-L13 VanDerWaalsContact O-CG 3.24Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 2.68Å; D10-L13 PolarHBondContact O-N 2.93Å; L13-Y15 PolarHBondContact O-N 3.26Å; L13-L16 HydrophobicContact CD2-CD1 3.67Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-L16 VanDerWaalsContact O-N 3.11Å; L13-L21 HydrophobicContact CB-CD2 3.9Å; L13-L21 HydrophobicContact CD2-CD2 3.85Å; L13-L21 HydrophobicContact CG-CD2 4.4Å; L13-M24 HydrophobicContact CD2-CE 3.5Å; L13-M24 VanDerWaalsContact CD2-CE 3.5Å; L13-M24 HydrophobicContact CD2-SD 3.58Å; L13-M24 VanDerWaalsContact CD2-SD 3.58Å; L13-L34 HydrophobicContact CD1-CB 3.46Å; L13-L34 VanDerWaalsContact CD1-CB 3.46Å; L13-L34 HydrophobicContact CD1-CD1 4.33Å; L13-L34 HydrophobicContact CD1-CG 4.43Å; L13-L40 HydrophobicContact CB-CD1 3.85Å
14S80.8Confident76.6Confident37 Ų3758.4 Ų58.426%0.25929%0.294SS..THydrogen-bonded Turntrans-68.9-15.4178.281.90000115.7D10 K11 I12D10-S14 WeakPolarHBondContact O-CB 3.35Å; D10-S14 PolarHBondContact O-N 2.98Å; K11-S14 PolarHBondContact O-N 3.33Å; K11-S14 PolarHBondContact O-OG 2.58Å; I12-S14 PolarHBondContact O-N 3.3Å
15Y80.1Confident76.7Confident177 Ų17755 Ų5569%0.69428%0.277SS*.THydrogen-bonded Turntrans-94.4-7.5173.3-65.1-73.4000113K11 I12 L13K11-Y15 HydrophobicContact CG-CE2 3.95Å; K11-Y15 WeakPolarHBondContact O-CD2 3.34Å; K11-Y15 WeakPolarHBondContact O-CE2 3.5Å; I12-Y15 PolarHBondContact O-N 3.24Å; I12-Y15 VanDerWaalsContact O-N 3.16Å; L13-Y15 PolarHBondContact O-N 3.26Å
16L80.2Confident76.2Confident48 Ų4857.9 Ų57.925%0.25128%0.284SS..SBendtrans-80.6145.8179.1-63.3-176000111L13 A20 L21 M24L13-L16 HydrophobicContact CD2-CD1 3.67Å; L13-L16 WeakPolarHBondContact O-CB 3.31Å; L13-L16 PolarHBondContact O-N 2.84Å; L13-L16 VanDerWaalsContact O-N 3.11Å; L16-A20 HydrophobicContact CB-CB 3.9Å; L16-A20 HydrophobicContact CD1-CB 4.1Å; L16-A20 HydrophobicContact CD2-CB 3.98Å; L16-A20 HydrophobicContact CG-CB 4.21Å; L16-L21 HydrophobicContact CB-CD2 4.07Å; L16-L21 HydrophobicContact CB-CG 4.02Å; L16-L21 HydrophobicContact CD1-CD2 4.19Å; L16-M24 HydrophobicContact CD1-SD 3.41Å; L16-M24 WeakPolarHBondContact CD1-SD 3.5Å
17D75.9Confident76.3Confident59 Ų5958 Ų5832%0.31629%0.289SS..  trans-72.8167.4169.766.15.8000111Y19 A20 L21 S177D17-Y19 PolarHBondContact O-N 3.45Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.49Å; D17-Y19 PolarHBondContact OD1-N 3.21Å; D17-A20 PolarHBondContact O-N 3.16Å; D17-A20 VanDerWaalsContact OD1-CB 3.31Å; D17-A20 WeakPolarHBondContact OD1-CB 3.14Å; D17-A20 PolarHBondContact OD1-N 2.97Å; D17-L21 PolarHBondContact O-N 2.76Å; D17-L21 VanDerWaalsContact O-N 3.15Å; D17-S177 PolarHBondContact OD2-OG 3.01Å
18A73.5Confident76.4Confident10 Ų1054.9 Ų54.98%0.08328%0.277CS..Hα-helixtrans-52.5-30.6179.400000112.5F22 W41 L44A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.84Å; A18-W41 HydrophobicContact CB-CH2 4.05Å; A18-W41 HydrophobicContact CB-CZ3 3.76Å; A18-W41 VanDerWaalsContact O-CH2 3.28Å; A18-W41 WeakPolarHBondContact O-CH2 3.38Å; A18-L44 HydrophobicContact CB-CD1 4.09Å
19Y69.8Low76.6Confident5 Ų559.2 Ų59.22%0.0229%0.292CS..Hα-helixtrans-74.4-50.5-179.7173.7-117.6000114.1D17 L21 F22 N23 F176 C178 P184D17-Y19 PolarHBondContact O-N 3.45Å; D17-Y19 WeakPolarHBondContact OD1-CB 3.49Å; D17-Y19 PolarHBondContact OD1-N 3.21Å; Y19-L21 PolarHBondContact O-N 3.31Å; Y19-F22 PolarHBondContact O-N 3.49Å; Y19-N23 WeakPolarHBondContact CE1-ND2 3.16Å; Y19-N23 WeakPolarHBondContact CE2-ND2 3.44Å; Y19-N23 PolarHBondContact O-N 3.19Å; Y19-N23 PolarHBondContact OH-ND2 3.29Å; Y19-F176 VanDerWaalsContact CB-CG 3.47Å; Y19-F176 HydrophobicContact CD1-CB 3.57Å; Y19-F176 HydrophobicContact CD2-CB 3.26Å; Y19-F176 AromaticContact CD2-CD2 3.21Å; Y19-F176 HydrophobicContact CD2-CD2 3.21Å; Y19-F176 HydrophobicContact CD2-CE2 4.15Å; Y19-F176 AromaticContact CD2-CG 3.53Å; Y19-F176 HydrophobicContact CD2-CG 3.53Å; Y19-F176 HydrophobicContact CE1-CB 4.09Å; Y19-F176 HydrophobicContact CE2-CB 3.79Å; Y19-F176 AromaticContact CE2-CD2 3.87Å; Y19-F176 HydrophobicContact CE2-CD2 3.87Å; Y19-F176 HydrophobicContact CE2-CG 4.29Å; Y19-F176 HydrophobicContact CG-CB 3.07Å; Y19-F176 AromaticContact CG-CD2 3.83Å; Y19-F176 HydrophobicContact CG-CD2 3.83Å; Y19-F176 AromaticContact CG-CG 3.64Å; Y19-F176 HydrophobicContact CG-CG 3.64Å; Y19-C178 HydrophobicContact CE1-CB 4.12Å; Y19-P184 HydrophobicContact CE2-CG 4.33Å
20A73.1Confident76.7Confident25 Ų2561.8 Ų61.821%0.20731%0.306CS..Hα-helixtrans-61.1-36.7178.300000110.3L16 D17 M24L16-A20 HydrophobicContact CB-CB 3.9Å; L16-A20 HydrophobicContact CD1-CB 4.1Å; L16-A20 HydrophobicContact CD2-CB 3.98Å; L16-A20 HydrophobicContact CG-CB 4.21Å; D17-A20 PolarHBondContact O-N 3.16Å; D17-A20 VanDerWaalsContact OD1-CB 3.31Å; D17-A20 WeakPolarHBondContact OD1-CB 3.14Å; D17-A20 PolarHBondContact OD1-N 2.97Å; A20-M24 WeakPolarHBondContact O-CB 3.29Å; A20-M24 VanDerWaalsContact O-CG 3.23Å; A20-M24 WeakPolarHBondContact O-CG 3.18Å; A20-M24 PolarHBondContact O-N 2.79Å
21L78.9Confident76.9Confident1 Ų161 Ų611%0.00530%0.3CS..Hα-helixtrans-62.2-45.8169.6-67.8178.7000112.5L13 L16 D17 Y19 M24 S25 A35 L40 W41 L44L13-L21 HydrophobicContact CB-CD2 3.9Å; L13-L21 HydrophobicContact CD2-CD2 3.85Å; L13-L21 HydrophobicContact CG-CD2 4.4Å; L16-L21 HydrophobicContact CB-CD2 4.07Å; L16-L21 HydrophobicContact CB-CG 4.02Å; L16-L21 HydrophobicContact CD1-CD2 4.19Å; D17-L21 PolarHBondContact O-N 2.76Å; D17-L21 VanDerWaalsContact O-N 3.15Å; Y19-L21 PolarHBondContact O-N 3.31Å; L21-M24 PolarHBondContact O-N 3.28Å; L21-S25 PolarHBondContact O-N 2.87Å; L21-A35 HydrophobicContact CB-CB 4.47Å; L21-A35 HydrophobicContact CD2-CB 4.43Å; L21-A35 VanDerWaalsContact O-CB 3.3Å; L21-A35 WeakPolarHBondContact O-CB 3.08Å; L21-L40 HydrophobicContact CD1-CB 4.32Å; L21-L40 HydrophobicContact CD2-CD1 4.33Å; L21-W41 HydrophobicContact CB-CZ2 3.89Å; L21-L44 HydrophobicContact CD1-CD1 3.49Å; L21-L44 VanDerWaalsContact CD1-CD1 3.49Å
22F73.8Confident76.9Confident55 Ų5561.1 Ų61.124%0.24130%0.298CS..Hα-helixtrans-62.1-45.9179.2-164.9-92000111.9A18 Y19 S25 H26 W41 P184A18-F22 WeakPolarHBondContact O-CB 3.49Å; A18-F22 PolarHBondContact O-N 2.84Å; Y19-F22 PolarHBondContact O-N 3.49Å; F22-S25 WeakPolarHBondContact O-CB 3.05Å; F22-S25 PolarHBondContact O-N 2.91Å; F22-S25 PolarHBondContact O-OG 2.85Å; F22-H26 AromaticContact CD1-CE1 3.64Å; F22-H26 AromaticContact CE1-CE1 3.3Å; F22-H26 WeakPolarHBondContact CE1-CE1 3.12Å; F22-H26 AromaticContact CZ-CE1 3.75Å; F22-H26 PolarHBondContact O-CE1 3.22Å; F22-H26 PolarHBondContact O-ND1 3.48Å; F22-W41 HydrophobicContact CB-CH2 4.5Å; F22-P184 HydrophobicContact CD1-CB 3.93Å; F22-P184 HydrophobicContact CD1-CG 3.65Å; F22-P184 HydrophobicContact CE1-CB 3.58Å; F22-P184 HydrophobicContact CE1-CG 3.86Å
23N69.6Low76.8Confident19 Ų1963.7 Ų63.710%0.10231%0.308CS..Hα-helixtrans-62.1-45.7176.2-78.5-19.8000112.5Y19 S25 H26 P184Y19-N23 WeakPolarHBondContact CE1-ND2 3.16Å; Y19-N23 WeakPolarHBondContact CE2-ND2 3.44Å; Y19-N23 PolarHBondContact O-N 3.19Å; Y19-N23 PolarHBondContact OH-ND2 3.29Å; N23-S25 PolarHBondContact O-N 3.46Å; N23-H26 PolarHBondContact O-N 3.02Å; N23-P184 WeakPolarHBondContact OD1-CD 3.31Å; N23-P184 VanDerWaalsContact OD1-CG 3.23Å; N23-P184 WeakPolarHBondContact OD1-CG 3.29Å
24M74.4Confident76.8Confident48 Ų4864.6 Ų64.624%0.23631%0.313CS..Hα-helixtrans-60-33178.4-77.1-173.267.600111.9L13 L16 A20 L21 H26 T27 F31L13-M24 HydrophobicContact CD2-CE 3.5Å; L13-M24 VanDerWaalsContact CD2-CE 3.5Å; L13-M24 HydrophobicContact CD2-SD 3.58Å; L13-M24 VanDerWaalsContact CD2-SD 3.58Å; L16-M24 HydrophobicContact CD1-SD 3.41Å; L16-M24 WeakPolarHBondContact CD1-SD 3.5Å; A20-M24 WeakPolarHBondContact O-CB 3.29Å; A20-M24 VanDerWaalsContact O-CG 3.23Å; A20-M24 WeakPolarHBondContact O-CG 3.18Å; A20-M24 PolarHBondContact O-N 2.79Å; L21-M24 PolarHBondContact O-N 3.28Å; M24-H26 PolarHBondContact O-N 2.99Å; M24-H26 VanDerWaalsContact O-N 3.11Å; M24-T27 PolarHBondContact O-N 3.23Å; M24-T27 VanDerWaalsContact O-N 3.07Å; M24-T27 PolarHBondContact O-OG1 2.91Å; M24-F31 HydrophobicContact CE-CD1 3.26Å; M24-F31 HydrophobicContact CE-CE1 3.28Å; M24-F31 HydrophobicContact CE-CG 4.02Å; M24-F31 HydrophobicContact CE-CZ 4.06Å; M24-F31 VanDerWaalsContact O-CB 3.22Å; M24-F31 WeakPolarHBondContact O-CB 3.32Å
25S74.6Confident76.8Confident6 Ų662.8 Ų62.84%0.04230%0.3CS..THydrogen-bonded Turntrans-61.9-18.7176.7770000114.4L21 F22 N23 Y32 K78L21-S25 PolarHBondContact O-N 2.87Å; F22-S25 WeakPolarHBondContact O-CB 3.05Å; F22-S25 PolarHBondContact O-N 2.91Å; F22-S25 PolarHBondContact O-OG 2.85Å; N23-S25 PolarHBondContact O-N 3.46Å; S25-Y32 WeakPolarHBondContact O-CB 3.47Å; S25-Y32 WeakPolarHBondContact O-CD2 3.47Å; S25-K78 PolarHBondContact OG-NZ 2.82Å
26H70.3Confident76.8Confident127 Ų12754.8 Ų54.859%0.58827%0.27SS*.THydrogen-bonded Turntrans-94.6-0.1178.3-61.783.8000113.7F22 N23 M24F22-H26 AromaticContact CD1-CE1 3.64Å; F22-H26 AromaticContact CE1-CE1 3.3Å; F22-H26 WeakPolarHBondContact CE1-CE1 3.12Å; F22-H26 AromaticContact CZ-CE1 3.75Å; F22-H26 PolarHBondContact O-CE1 3.22Å; F22-H26 PolarHBondContact O-ND1 3.48Å; N23-H26 PolarHBondContact O-N 3.02Å; M24-H26 PolarHBondContact O-N 2.99Å; M24-H26 VanDerWaalsContact O-N 3.11Å
27T75Confident77Confident92 Ų9254.9 Ų54.956%0.56427%0.271SS*.THydrogen-bonded Turntrans-89.9-38.7-173.4620000114.2M24 F31M24-T27 PolarHBondContact O-N 3.23Å; M24-T27 VanDerWaalsContact O-N 3.07Å; M24-T27 PolarHBondContact O-OG1 2.91Å; T27-F31 VanDerWaalsContact OG1-CD2 3.29Å; T27-F31 WeakPolarHBondContact OG1-CD2 3.32Å
28N77.8Confident77.3Confident75 Ų7553.6 Ų53.640%0.40126%0.264SS..  trans-165156.2178.9-173.80.2000110.4L30 F31 Y32N28-L30 VanDerWaalsContact C-N 3.28Å; N28-L30 PolarHBondContact O-N 3.26Å; N28-F31 HydrophobicContact CB-CD2 4.21Å; N28-F31 PolarHBondContact O-N 3.33Å; N28-Y32 PolarHBondContact O-N 3.06Å
29K82.1Confident77.8Confident174 Ų17458.3 Ų58.376%0.75729%0.292SS*.Hα-helixtrans-50.2-41.5176.5-67.7-174.5178.3-178.10113.7Y32 Q33K29-Y32 WeakPolarHBondContact O-CB 3.48Å; K29-Y32 PolarHBondContact O-N 3.47Å; K29-Q33 WeakPolarHBondContact O-CG 3.18Å; K29-Q33 PolarHBondContact O-N 3.06Å
30L80.3Confident78.4Confident67 Ų6758.9 Ų58.935%0.35130%0.295SS..Hα-helixtrans-62.5-47.6177.1179.666.2000111.5L6 N28 Y32 Q33 L34L6-L30 HydrophobicContact CD2-CD1 4.31Å; N28-L30 VanDerWaalsContact C-N 3.28Å; N28-L30 PolarHBondContact O-N 3.26Å; L30-Y32 VanDerWaalsContact C-N 3.33Å; L30-Y32 PolarHBondContact O-N 3.08Å; L30-Q33 PolarHBondContact O-N 3.16Å; L30-L34 HydrophobicContact CD1-CD1 4.18Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 3.98Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.23Å; L30-L34 PolarHBondContact O-N 3.5Å
31F80.4Confident78.8Confident38 Ų3857.9 Ų57.917%0.16729%0.286CS..Hα-helixtrans-70.5-30.1177.6-72-59.9000112.6V1 M24 T27 N28 A35V1-F31 HydrophobicContact CG1-CZ 3.76Å; M24-F31 HydrophobicContact CE-CD1 3.26Å; M24-F31 HydrophobicContact CE-CE1 3.28Å; M24-F31 HydrophobicContact CE-CG 4.02Å; M24-F31 HydrophobicContact CE-CZ 4.06Å; M24-F31 VanDerWaalsContact O-CB 3.22Å; M24-F31 WeakPolarHBondContact O-CB 3.32Å; T27-F31 VanDerWaalsContact OG1-CD2 3.29Å; T27-F31 WeakPolarHBondContact OG1-CD2 3.32Å; N28-F31 HydrophobicContact CB-CD2 4.21Å; N28-F31 PolarHBondContact O-N 3.33Å; F31-A35 WeakPolarHBondContact O-CA 3.5Å; F31-A35 WeakPolarHBondContact O-CB 3.41Å; F31-A35 PolarHBondContact O-N 2.91Å
32Y80.8Confident78.9Confident133 Ų13362.5 Ų62.552%0.52231%0.306SS..Hα-helixtrans-59.2-47.3170.5178.5-92.6000111.5S25 N28 K29 L30 S36S25-Y32 WeakPolarHBondContact O-CB 3.47Å; S25-Y32 WeakPolarHBondContact O-CD2 3.47Å; N28-Y32 PolarHBondContact O-N 3.06Å; K29-Y32 WeakPolarHBondContact O-CB 3.48Å; K29-Y32 PolarHBondContact O-N 3.47Å; L30-Y32 VanDerWaalsContact C-N 3.33Å; L30-Y32 PolarHBondContact O-N 3.08Å; Y32-S36 VanDerWaalsContact O-CB 3.25Å; Y32-S36 WeakPolarHBondContact O-CB 3.45Å; Y32-S36 PolarHBondContact O-N 2.81Å; Y32-S36 VanDerWaalsContact O-N 3.08Å; Y32-S36 PolarHBondContact O-OG 2.89Å
33Q80.9Confident79.3Confident138 Ų13866.2 Ų66.265%0.64532%0.322SS*.Hα-helixtrans-65.2-49.8178.7-72.5176.7-22.300111.5K29 L30 A35 S36K29-Q33 WeakPolarHBondContact O-CG 3.18Å; K29-Q33 PolarHBondContact O-N 3.06Å; L30-Q33 PolarHBondContact O-N 3.16Å; Q33-A35 PolarHBondContact O-N 3.01Å; Q33-S36 PolarHBondContact O-N 3.3Å; Q33-S36 VanDerWaalsContact O-N 3.11Å
34L80.6Confident79.7Confident22 Ų2266.7 Ų66.712%0.11532%0.324CS..Hα-helixtrans-64-43.4-179.8-64.8170.8000112.1L6 L9 D10 L13 L30 S36 N37L6-L34 HydrophobicContact CD2-CD1 4.48Å; L6-L34 HydrophobicContact CD2-CD2 4.25Å; L9-L34 HydrophobicContact CB-CD1 4.39Å; L9-L34 HydrophobicContact CD1-CD1 4.43Å; D10-L34 WeakPolarHBondContact OD1-CD2 3.36Å; L13-L34 HydrophobicContact CD1-CB 3.46Å; L13-L34 VanDerWaalsContact CD1-CB 3.46Å; L13-L34 HydrophobicContact CD1-CD1 4.33Å; L13-L34 HydrophobicContact CD1-CG 4.43Å; L30-L34 HydrophobicContact CD1-CD1 4.18Å; L30-L34 HydrophobicContact CD1-CG 4.45Å; L30-L34 HydrophobicContact CG-CD1 3.98Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.23Å; L30-L34 PolarHBondContact O-N 3.5Å; L34-S36 PolarHBondContact O-N 3.08Å; L34-N37 WeakPolarHBondContact O-CB 3.41Å; L34-N37 PolarHBondContact O-N 3.21Å
35A81.1Confident79.8Confident0 Ų064.8 Ų64.80%031%0.314CS..THydrogen-bonded Turntrans-76.60.9176.600000113.6L21 F31 Q33 W41L21-A35 HydrophobicContact CB-CB 4.47Å; L21-A35 HydrophobicContact CD2-CB 4.43Å; L21-A35 VanDerWaalsContact O-CB 3.3Å; L21-A35 WeakPolarHBondContact O-CB 3.08Å; F31-A35 WeakPolarHBondContact O-CA 3.5Å; F31-A35 WeakPolarHBondContact O-CB 3.41Å; F31-A35 PolarHBondContact O-N 2.91Å; Q33-A35 PolarHBondContact O-N 3.01Å; A35-W41 PolarHBondContact O-NE1 3.2Å
36S80.4Confident79.8Confident8 Ų868.1 Ų68.16%0.05633%0.331CS..THydrogen-bonded Turntrans-103.312.4170-58.30000112.1Y32 Q33 L34 N38 G75Y32-S36 VanDerWaalsContact O-CB 3.25Å; Y32-S36 WeakPolarHBondContact O-CB 3.45Å; Y32-S36 PolarHBondContact O-N 2.81Å; Y32-S36 VanDerWaalsContact O-N 3.08Å; Y32-S36 PolarHBondContact O-OG 2.89Å; Q33-S36 PolarHBondContact O-N 3.3Å; Q33-S36 VanDerWaalsContact O-N 3.11Å; L34-S36 PolarHBondContact O-N 3.08Å; S36-N38 PolarHBondContact O-N 3.36Å; S36-G75 WeakPolarHBondContact O-CA 3.32Å; S36-G75 PolarHBondContact O-N 2.87Å
37N84.2Confident80Confident51 Ų5164.4 Ų64.427%0.27332%0.322SS..  trans-63.6117.8177.8-175.3-26.3000111.6L34 V39 L40 W41L34-N37 WeakPolarHBondContact O-CB 3.41Å; L34-N37 PolarHBondContact O-N 3.21Å; N37-V39 VanDerWaalsContact C-N 3.25Å; N37-V39 PolarHBondContact O-N 3.07Å; N37-V39 WeakPolarHBondContact OD1-CB 3.4Å; N37-V39 PolarHBondContact OD1-N 3.07Å; N37-L40 HydrophobicContact CB-CB 4.5Å; N37-L40 HydrophobicContact CB-CD1 4.05Å; N37-L40 HydrophobicContact CB-CG 4.05Å; N37-L40 PolarHBondContact O-N 3.47Å; N37-W41 PolarHBondContact O-N 3.15Å
38N82.9Confident79.7Confident31 Ų3163.9 Ų63.917%0.16632%0.316CS..Hα-helixtrans-60.3-30.1-177.8-84.1-25.7000113.9S36 K42 H72 A73 G75 Y76 W77S36-N38 PolarHBondContact O-N 3.36Å; N38-K42 WeakPolarHBondContact O-CB 3.46Å; N38-K42 PolarHBondContact O-N 2.88Å; N38-H72 PolarHBondContact ND2-O 3.05Å; N38-H72 VanDerWaalsContact ND2-O 3.08Å; N38-A73 PolarHBondContact ND2-O 3.18Å; N38-G75 PolarHBondContact OD1-N 2.86Å; N38-Y76 PolarHBondContact OD1-N 2.78Å; N38-Y76 VanDerWaalsContact OD1-N 3.11Å; N38-W77 PolarHBondContact OD1-N 2.83Å; N38-W77 VanDerWaalsContact OD1-N 3.14Å
39V82.6Confident79.2Confident110 Ų11060.5 Ų60.567%0.66730%0.298SS*.Hα-helixtrans-67.7-42.9179.1-178.90000110.7N37 K42 K43N37-V39 VanDerWaalsContact C-N 3.25Å; N37-V39 PolarHBondContact O-N 3.07Å; N37-V39 WeakPolarHBondContact OD1-CB 3.4Å; N37-V39 PolarHBondContact OD1-N 3.07Å; V39-K42 PolarHBondContact O-N 2.86Å; V39-K43 PolarHBondContact O-N 3.06Å; V39-K43 VanDerWaalsContact O-N 3.15Å
40L83.7Confident78.1Confident17 Ų1753.5 Ų53.59%0.08927%0.27CS..Hα-helixtrans-62.7-50.5178.1-62.5-175.8000111L13 L21 N37 K42 K43 L44L13-L40 HydrophobicContact CB-CD1 3.85Å; L21-L40 HydrophobicContact CD1-CB 4.32Å; L21-L40 HydrophobicContact CD2-CD1 4.33Å; N37-L40 HydrophobicContact CB-CB 4.5Å; N37-L40 HydrophobicContact CB-CD1 4.05Å; N37-L40 HydrophobicContact CB-CG 4.05Å; N37-L40 PolarHBondContact O-N 3.47Å; L40-K42 PolarHBondContact O-N 2.82Å; L40-K43 WeakPolarHBondContact O-CB 3.45Å; L40-K43 PolarHBondContact O-N 3.41Å; L40-L44 PolarHBondContact O-N 3.39Å; L40-L44 VanDerWaalsContact O-N 3.09Å
41W81.2Confident76.8Confident3 Ų355.8 Ų55.81%0.01128%0.283CS..Hα-helixtrans-68.8-31.7-179-7596.6000113.4A18 L21 F22 A35 N37 L44 Y45 W77 K78 H81A18-W41 HydrophobicContact CB-CH2 4.05Å; A18-W41 HydrophobicContact CB-CZ3 3.76Å; A18-W41 VanDerWaalsContact O-CH2 3.28Å; A18-W41 WeakPolarHBondContact O-CH2 3.38Å; L21-W41 HydrophobicContact CB-CZ2 3.89Å; F22-W41 HydrophobicContact CB-CH2 4.5Å; A35-W41 PolarHBondContact O-NE1 3.2Å; N37-W41 PolarHBondContact O-N 3.15Å; W41-L44 HydrophobicContact CE3-CD1 4.48Å; W41-L44 PolarHBondContact O-N 2.93Å; W41-Y45 VanDerWaalsContact O-CB 3.25Å; W41-Y45 WeakPolarHBondContact O-CB 3.36Å; W41-Y45 PolarHBondContact O-N 3.07Å; W41-W77 HydrophobicContact CB-CB 3.55Å; W41-K78 HydrophobicContact CB-CB 4.44Å; W41-K78 VanDerWaalsContact CD2-CA 3.49Å; W41-K78 HydrophobicContact CD2-CB 3.54Å; W41-K78 HydrophobicContact CD2-CG 3.89Å; W41-K78 HydrophobicContact CE3-CB 4.1Å; W41-K78 HydrophobicContact CE3-CG 4.24Å; W41-K78 HydrophobicContact CG-CB 3.67Å; W41-K78 HydrophobicContact CG-CG 4.48Å; W41-K78 HydrophobicContact CH2-CG 3.95Å; W41-K78 HydrophobicContact CZ2-CB 4.18Å; W41-K78 HydrophobicContact CZ2-CD 3.83Å; W41-K78 HydrophobicContact CZ2-CG 3.58Å; W41-K78 HydrophobicContact CZ3-CG 4.25Å; W41-H81 HydrophobicContact CE3-CB 3.96Å; W41-H81 HydrophobicContact CZ3-CB 4.3Å; W41-H81 AromaticContact CZ3-ND1 3.97Å
42K81.1Confident75.8Confident99 Ų9957.7 Ų57.743%0.4330%0.295SS..Hα-helixtrans-64.8-40.8172.8-174.5178.3-179.4-176.70111.6N38 V39 L40 Y45 I46 W77N38-K42 WeakPolarHBondContact O-CB 3.46Å; N38-K42 PolarHBondContact O-N 2.88Å; V39-K42 PolarHBondContact O-N 2.86Å; L40-K42 PolarHBondContact O-N 2.82Å; K42-Y45 PolarHBondContact O-N 2.99Å; K42-I46 HydrophobicContact CG-CD1 4.16Å; K42-I46 VanDerWaalsContact O-CG1 3.31Å; K42-I46 WeakPolarHBondContact O-CG1 3.23Å; K42-I46 PolarHBondContact O-N 3.16Å; K42-W77 HydrophobicContact CB-CD2 3.76Å; K42-W77 HydrophobicContact CB-CE3 4.14Å; K42-W77 HydrophobicContact CB-CG 3.92Å; K42-W77 HydrophobicContact CD-CD2 4.47Å; K42-W77 HydrophobicContact CD-CH2 4.42Å; K42-W77 HydrophobicContact CD-CZ2 3.88Å; K42-W77 HydrophobicContact CG-CD2 3.97Å; K42-W77 HydrophobicContact CG-CE3 4.12Å; K42-W77 HydrophobicContact CG-CH2 4.15Å; K42-W77 HydrophobicContact CG-CZ2 3.99Å; K42-W77 HydrophobicContact CG-CZ3 4.21Å
43K81.8Confident74.3Confident133 Ų13358.3 Ų58.358%0.57830%0.303SS*.Hα-helixtrans-62.6-46.3175.9-175-175.8175.2-168.90111.1V39 L40 I46 A47V39-K43 PolarHBondContact O-N 3.06Å; V39-K43 VanDerWaalsContact O-N 3.15Å; L40-K43 WeakPolarHBondContact O-CB 3.45Å; L40-K43 PolarHBondContact O-N 3.41Å; K43-I46 PolarHBondContact O-N 2.8Å; K43-A47 WeakPolarHBondContact O-CB 3.16Å; K43-A47 PolarHBondContact O-N 3.11Å
44L78.6Confident73Confident28 Ų2860.3 Ų60.315%0.14731%0.309CS..Hα-helixtrans-63.6-41.8175.8-70.4168.7000112.1A18 L21 L40 W41 I46 A47 D48A18-L44 HydrophobicContact CB-CD1 4.09Å; L21-L44 HydrophobicContact CD1-CD1 3.49Å; L21-L44 VanDerWaalsContact CD1-CD1 3.49Å; L40-L44 PolarHBondContact O-N 3.39Å; L40-L44 VanDerWaalsContact O-N 3.09Å; W41-L44 HydrophobicContact CE3-CD1 4.48Å; W41-L44 PolarHBondContact O-N 2.93Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.85Å; L44-A47 PolarHBondContact O-N 2.99Å; L44-D48 WeakPolarHBondContact O-CB 3.5Å; L44-D48 VanDerWaalsContact O-CG 3.29Å; L44-D48 PolarHBondContact O-N 3.43Å
45Y74.8Confident71.6Confident8 Ų861 Ų613%0.03131%0.312CS..Hα-helixtrans-57.5-46.2175.1-174.2-85.3000112.1W41 K42 I49 C50 W77 L80 H81 T84W41-Y45 VanDerWaalsContact O-CB 3.25Å; W41-Y45 WeakPolarHBondContact O-CB 3.36Å; W41-Y45 PolarHBondContact O-N 3.07Å; K42-Y45 PolarHBondContact O-N 2.99Å; Y45-I49 HydrophobicContact CD2-CD1 3.51Å; Y45-I49 HydrophobicContact CE2-CD1 3.48Å; Y45-I49 VanDerWaalsContact CE2-CD1 3.48Å; Y45-I49 HydrophobicContact CG-CD1 4.19Å; Y45-I49 VanDerWaalsContact O-CB 3.28Å; Y45-I49 WeakPolarHBondContact O-CB 3.32Å; Y45-I49 PolarHBondContact O-N 2.59Å; Y45-C50 PolarHBondContact O-N 3.07Å; Y45-W77 HydrophobicContact CD1-CE3 4.37Å; Y45-W77 AromaticContact CD1-CZ3 3.86Å; Y45-W77 HydrophobicContact CD1-CZ3 3.86Å; Y45-W77 HydrophobicContact CD2-CE3 4.49Å; Y45-W77 HydrophobicContact CE1-CZ3 4.26Å; Y45-W77 HydrophobicContact CG-CE3 4.11Å; Y45-W77 HydrophobicContact CG-CZ3 4.06Å; Y45-L80 HydrophobicContact CE2-CD2 4.24Å; Y45-L80 HydrophobicContact CE2-CG 3.97Å; Y45-H81 HydrophobicContact CD2-CB 4.07Å; Y45-T84 HydrophobicContact CE2-CG2 4.29Å
46I76.1Confident69.9Low77 Ų7765.9 Ų65.940%0.39533%0.333SS..Iπ-helixtrans-65.6-43.9177.6-66.2166.3000110.6K42 K43 L44 C50 N51K42-I46 HydrophobicContact CG-CD1 4.16Å; K42-I46 VanDerWaalsContact O-CG1 3.31Å; K42-I46 WeakPolarHBondContact O-CG1 3.23Å; K42-I46 PolarHBondContact O-N 3.16Å; K43-I46 PolarHBondContact O-N 2.8Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.85Å; I46-C50 HydrophobicContact CB-CB 4.46Å; I46-C50 HydrophobicContact CG2-CB 4.14Å; I46-C50 WeakPolarHBondContact O-CA 3.44Å; I46-C50 VanDerWaalsContact O-CB 3.24Å; I46-C50 WeakPolarHBondContact O-CB 3.42Å; I46-C50 PolarHBondContact O-N 3.44Å; I46-C50 VanDerWaalsContact O-N 3.07Å; I46-N51 PolarHBondContact O-N 3.31Å; I46-N51 VanDerWaalsContact O-N 3.16Å
47A73.6Confident68.3Low49 Ų4969.7 Ų69.741%0.40537%0.365SS..Iπ-helixtrans-65.2-45.4-17900000113.1K43 L44 N51K43-A47 WeakPolarHBondContact O-CB 3.16Å; K43-A47 PolarHBondContact O-N 3.11Å; L44-A47 PolarHBondContact O-N 2.99Å; A47-N51 WeakPolarHBondContact O-CB 3.47Å
48D69.2Low66.7Low80 Ų8072.9 Ų72.943%0.42837%0.373SS..Iπ-helixtrans-83.5-36.5-173.4-63.7-21.8000112.6L44 H81L44-D48 WeakPolarHBondContact O-CB 3.5Å; L44-D48 VanDerWaalsContact O-CG 3.29Å; L44-D48 PolarHBondContact O-N 3.43Å; D48-H81 IonicContact OD2-CD2 3.66Å; D48-H81 IonicContact OD2-CE1 2.78Å; D48-H81 IonicContact OD2-NE2 3.59Å; D48-H81 PolarHBondContact OD2-NE2 2.94Å
49I66.5Low65.2Low4 Ų472.1 Ų72.12%0.02137%0.369CS..Iπ-helixtrans-110.2-39.4-168.3-60.7163.3000111.7Y45 I59 T84 V85Y45-I49 HydrophobicContact CD2-CD1 3.51Å; Y45-I49 HydrophobicContact CE2-CD1 3.48Å; Y45-I49 VanDerWaalsContact CE2-CD1 3.48Å; Y45-I49 HydrophobicContact CG-CD1 4.19Å; Y45-I49 VanDerWaalsContact O-CB 3.28Å; Y45-I49 WeakPolarHBondContact O-CB 3.32Å; Y45-I49 PolarHBondContact O-N 2.59Å; I49-I59 HydrophobicContact CG2-CD1 4.08Å; I49-T84 HydrophobicContact CD1-CG2 3.74Å; I49-T84 HydrophobicContact CG1-CG2 4.42Å; I49-T84 HydrophobicContact CG2-CG2 3.95Å; I49-V85 HydrophobicContact CD1-CG2 4.21Å
50C59.8Low63.4Low27 Ų2771.2 Ų71.218%0.18236%0.363CS..Iπ-helixtrans-83.2-24.8-178.1-62.10000113.8Y45 I46 N52 K56Y45-C50 PolarHBondContact O-N 3.07Å; I46-C50 HydrophobicContact CB-CB 4.46Å; I46-C50 HydrophobicContact CG2-CB 4.14Å; I46-C50 WeakPolarHBondContact O-CA 3.44Å; I46-C50 VanDerWaalsContact O-CB 3.24Å; I46-C50 WeakPolarHBondContact O-CB 3.42Å; I46-C50 PolarHBondContact O-N 3.44Å; I46-C50 VanDerWaalsContact O-N 3.07Å; C50-N52 VanDerWaalsContact C-N 3.33Å; C50-K56 WeakPolarHBondContact O-CE 3.45Å; C50-K56 WeakPolarHBondContact O-CG 3.48Å
51N53.6Low61.6Low115 Ų11576.4 Ų76.462%0.61539%0.391SS*.SBendtrans-82.4-7.5178.5-74.5-17.8000114.1I46 A47 E53I46-N51 PolarHBondContact O-N 3.31Å; I46-N51 VanDerWaalsContact O-N 3.16Å; A47-N51 WeakPolarHBondContact O-CB 3.47Å; N51-E53 PolarHBondContact O-N 2.88Å
52N57.6Low59.9Low78 Ų7878.9 Ų78.942%0.41741%0.407SS..  trans-87.3104.4173.2-158.4-21.3000109.1C50 K54 Q55 K56C50-N52 VanDerWaalsContact C-N 3.33Å; N52-K54 PolarHBondContact O-N 3.32Å; N52-Q55 HydrophobicContact CB-CB 4.34Å; N52-Q55 PolarHBondContact ND2-OE1 3.08Å; N52-Q55 VanDerWaalsContact ND2-OE1 3.13Å; N52-Q55 PolarHBondContact O-N 3.22Å; N52-K56 PolarHBondContact O-N 3.27Å
53E49.8Very low58.3Low146 Ų14679.6 Ų79.668%0.68241%0.412SS*.Hα-helixtrans-48.7-33.6-177.3-75.2-89118.500113.1N51 Q55 K56N51-E53 PolarHBondContact O-N 2.88Å; E53-Q55 VanDerWaalsContact C-N 3.31Å; E53-Q55 PolarHBondContact O-N 3.02Å; E53-K56 IonicContact OE1-NZ 2.6Å; E53-K56 PolarHBondContact OE1-NZ 3.24Å
54K53.7Low56.5Low180 Ų18079.3 Ų79.378%0.78342%0.415SS*.Hα-helixtrans-72.1-16.9177.2-70.1179.8179.1175.10114.5N52N52-K54 PolarHBondContact O-N 3.32Å
55Q51Low54.8Low37 Ų3785.5 Ų85.517%0.17345%0.448CS..Hα-helixtrans-102.2-24.5-178.8-96.5156.3-48.200113.6N52 E53 A57 R58 C88N52-Q55 HydrophobicContact CB-CB 4.34Å; N52-Q55 PolarHBondContact ND2-OE1 3.08Å; N52-Q55 VanDerWaalsContact ND2-OE1 3.13Å; N52-Q55 PolarHBondContact O-N 3.22Å; E53-Q55 VanDerWaalsContact C-N 3.31Å; E53-Q55 PolarHBondContact O-N 3.02Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.73Å; Q55-R58 WeakPolarHBondContact O-CB 3.5Å; Q55-R58 PolarHBondContact O-N 2.96Å; Q55-C88 PolarHBondContact NE2-SG 3.48Å
56K45.9Very low53.4Low103 Ų10387.2 Ų87.245%0.44846%0.461SS..Hα-helixtrans-50.5-45.8178.1-83.2-180-178.4166.10114C50 N52 E53 R58 I59C50-K56 WeakPolarHBondContact O-CE 3.45Å; C50-K56 WeakPolarHBondContact O-CG 3.48Å; N52-K56 PolarHBondContact O-N 3.27Å; E53-K56 IonicContact OE1-NZ 2.6Å; E53-K56 PolarHBondContact OE1-NZ 3.24Å; K56-R58 PolarHBondContact O-N 2.76Å; K56-R58 VanDerWaalsContact O-N 3.14Å; K56-I59 PolarHBondContact O-N 2.7Å
57A47.3Very low51.8Low87 Ų8792.1 Ų92.172%0.71948%0.479SS*.THydrogen-bonded Turntrans-65.7-16-179.100000114.1Q55Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.73Å
58R50.9Low50.5Low119 Ų11999 Ų9945%0.44950%0.5SS..THydrogen-bonded Turntrans-96.9-8.5-174.9-65.5174.6173.3-178.3-1.3113.8Q55 K56 R95Q55-R58 WeakPolarHBondContact O-CB 3.5Å; Q55-R58 PolarHBondContact O-N 2.96Å; K56-R58 PolarHBondContact O-N 2.76Å; K56-R58 VanDerWaalsContact O-N 3.14Å; R58-R95 VanDerWaalsContact NH2-NH2 3.16Å
59I50.5Low49.2Very low14 Ų14100.3 Ų100.37%0.07251%0.511CS..SBendtrans-82-21.9-175.1-63.2171.7000112.1I49 K56 N61 V62 Q63I49-I59 HydrophobicContact CG2-CD1 4.08Å; K56-I59 PolarHBondContact O-N 2.7Å; I59-N61 PolarHBondContact O-N 2.88Å; I59-N61 VanDerWaalsContact O-N 3.07Å; I59-V62 PolarHBondContact O-N 2.84Å; I59-Q63 HydrophobicContact CG2-CG 3.88Å; I59-Q63 PolarHBondContact O-N 2.85Å; I59-Q63 VanDerWaalsContact O-N 3.12Å
60V45.9Very low48.4Very low91 Ų91111.9 Ų111.955%0.55256%0.555SS**Hα-helixtrans-54.5-33.8-175.6-176.40000112.4L64V60-L64 PolarHBondContact O-N 2.91Å
61N45.1Very low48.2Very low126 Ų126118 Ų11867%0.67459%0.586SS**Hα-helixtrans-78.8-28.3177.7-80.3-14.2000114.5I59I59-N61 PolarHBondContact O-N 2.88Å; I59-N61 VanDerWaalsContact O-N 3.07Å
62V45.3Very low48.7Very low56 Ų56115.4 Ų115.434%0.33957%0.57SS.*Hα-helixtrans-80.3-36.4-179.8179.90000110.7I59 L64 L65 L80I59-V62 PolarHBondContact O-N 2.84Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 2.9Å; V62-L65 PolarHBondContact O-N 3.49Å; V62-L80 HydrophobicContact CG1-CD1 3.9Å
63Q48.4Very low49.6Very low114 Ų114115.3 Ų115.353%0.53358%0.58SS.*Hα-helixtrans-70.9-22.2174.3-78.3177.3-20.300113.4I59 L65 S66I59-Q63 HydrophobicContact CG2-CG 3.88Å; I59-Q63 PolarHBondContact O-N 2.85Å; I59-Q63 VanDerWaalsContact O-N 3.12Å; Q63-L65 VanDerWaalsContact C-N 3.33Å; Q63-S66 PolarHBondContact O-N 3.49Å
64L42.6Very low50.7Low126 Ų126112.7 Ų112.766%0.6658%0.583SS**Hα-helixtrans-68.8-32.7175.6-134.884.4000112.1V60 V62V60-L64 PolarHBondContact O-N 2.91Å; V62-L64 VanDerWaalsContact C-N 3.29Å; V62-L64 PolarHBondContact O-N 2.9Å
65L43.2Very low51.6Low159 Ų159104.8 Ų104.883%0.83255%0.553SS**Hα-helixtrans-75.7-27.2177.7-77.3156.3000113V62 Q63V62-L65 PolarHBondContact O-N 3.49Å; Q63-L65 VanDerWaalsContact C-N 3.33Å
66S45.5Very low53Low43 Ų43105.9 Ų105.930%0.30156%0.556SS.*THydrogen-bonded Turntrans-92.46.4-174.184.10000114.5Q63 K68 Y76Q63-S66 PolarHBondContact O-N 3.49Å; S66-K68 PolarHBondContact O-N 3.29Å; S66-K68 VanDerWaalsContact O-N 3.12Å; S66-Y76 WeakPolarHBondContact CB-OH 3.42Å
67K42.4Very low54.6Low180 Ų180103 Ų10378%0.78354%0.542SS*.  trans-7913.6-169.5-121.8-178.3-175.2-178.80115.4
68K45.8Very low56.1Low194 Ų194100 Ų10084%0.84351%0.512SS*.SBendtrans-143.276.8175.4-74.2-171.5176.8-179.70112.9S66S66-K68 PolarHBondContact O-N 3.29Å; S66-K68 VanDerWaalsContact O-N 3.12Å
69T43.2Very low57.1Low108 Ų10899.2 Ų99.266%0.66351%0.514SS*.  trans-176.4125.6140.719.90000110.1
70R49.6Very low58.3Low246 Ų24699.9 Ų99.993%0.92852%0.518SS*.SBendtrans-73.6139.6161.4-66.6179.1-160.31785.8106.9
71D54.7Low59.7Low157 Ų15795.9 Ų95.984%0.8449%0.493SS*.SBendtrans6988.4-170.4-62.6-21000116.1
72H64.7Low60.9Low59 Ų5993 Ų9327%0.27348%0.48SS..PPolyproline II helixtrans-70.7134.8165.9-64.3-70.2000110.3N38 Y76 W77N38-H72 PolarHBondContact ND2-O 3.05Å; N38-H72 VanDerWaalsContact ND2-O 3.08Å; H72-Y76 HydrophobicContact CB-CD1 3.76Å; H72-Y76 HydrophobicContact CB-CD2 4.45Å; H72-Y76 HydrophobicContact CB-CG 3.71Å; H72-Y76 AromaticContact CE1-CD1 4Å; H72-Y76 AromaticContact CE1-CE1 3.49Å; H72-Y76 VanDerWaalsContact CE1-CE1 3.49Å; H72-Y76 WeakPolarHBondContact CE1-CE1 3.49Å; H72-Y76 AromaticContact CE1-CZ 3.6Å; H72-Y76 AromaticContact CG-CD1 3.5Å; H72-Y76 VanDerWaalsContact CG-CD1 3.5Å; H72-Y76 AromaticContact CG-CE1 3.81Å; H72-Y76 AromaticContact CG-CG 3.82Å; H72-Y76 AromaticContact ND1-CD1 3.49Å; H72-Y76 WeakPolarHBondContact ND1-CD1 3.3Å; H72-Y76 AromaticContact ND1-CD2 3.83Å; H72-Y76 AromaticContact ND1-CE1 3.41Å; H72-Y76 WeakPolarHBondContact ND1-CE1 3.42Å; H72-Y76 AromaticContact ND1-CE2 3.75Å; H72-Y76 AromaticContact ND1-CG 3.71Å; H72-Y76 AromaticContact ND1-CZ 3.54Å; H72-Y76 AromaticContact NE2-CE1 3.89Å; H72-W77 AromaticContact CD2-NE1 3.94Å
73A75.8Confident62Low76 Ų7696.2 Ų96.263%0.62849%0.489SS*.PPolyproline II helixtrans-52.1149.2172.600000111.8N38 G75 Y76N38-A73 PolarHBondContact ND2-O 3.18Å; A73-G75 PolarHBondContact O-N 3.16Å; A73-Y76 VanDerWaalsContact O-CB 3.27Å; A73-Y76 WeakPolarHBondContact O-CB 3.38Å; A73-Y76 PolarHBondContact O-N 3.14Å
74A73.3Confident63Low92 Ų9291.7 Ų91.776%0.7647%0.469SS*.THydrogen-bonded Turntrans-54.2132.5176.100000110.4
75G73.5Confident64.3Low13 Ų1387.7 Ų87.713%0.13445%0.45CS..THydrogen-bonded Turntrans85.6-1.9-176.600000115.9S36 N38 A73 W77 K78 E79S36-G75 WeakPolarHBondContact O-CA 3.32Å; S36-G75 PolarHBondContact O-N 2.87Å; N38-G75 PolarHBondContact OD1-N 2.86Å; A73-G75 PolarHBondContact O-N 3.16Å; G75-W77 PolarHBondContact O-N 2.93Å; G75-K78 VanDerWaalsContact O-CB 3.29Å; G75-K78 WeakPolarHBondContact O-CB 3.3Å; G75-K78 PolarHBondContact O-N 2.81Å; G75-K78 VanDerWaalsContact O-N 3.14Å; G75-E79 PolarHBondContact O-N 2.78Å
76Y80.6Confident65.4Low61 Ų6182.2 Ų82.224%0.23943%0.428CS..Hα-helixtrans-55.4-48.1176.7172-94.5000113N38 S66 H72 A73 K78 E79 L80N38-Y76 PolarHBondContact OD1-N 2.78Å; N38-Y76 VanDerWaalsContact OD1-N 3.11Å; S66-Y76 WeakPolarHBondContact CB-OH 3.42Å; H72-Y76 HydrophobicContact CB-CD1 3.76Å; H72-Y76 HydrophobicContact CB-CD2 4.45Å; H72-Y76 HydrophobicContact CB-CG 3.71Å; H72-Y76 AromaticContact CE1-CD1 4Å; H72-Y76 AromaticContact CE1-CE1 3.49Å; H72-Y76 VanDerWaalsContact CE1-CE1 3.49Å; H72-Y76 WeakPolarHBondContact CE1-CE1 3.49Å; H72-Y76 AromaticContact CE1-CZ 3.6Å; H72-Y76 AromaticContact CG-CD1 3.5Å; H72-Y76 VanDerWaalsContact CG-CD1 3.5Å; H72-Y76 AromaticContact CG-CE1 3.81Å; H72-Y76 AromaticContact CG-CG 3.82Å; H72-Y76 AromaticContact ND1-CD1 3.49Å; H72-Y76 WeakPolarHBondContact ND1-CD1 3.3Å; H72-Y76 AromaticContact ND1-CD2 3.83Å; H72-Y76 AromaticContact ND1-CE1 3.41Å; H72-Y76 WeakPolarHBondContact ND1-CE1 3.42Å; H72-Y76 AromaticContact ND1-CE2 3.75Å; H72-Y76 AromaticContact ND1-CG 3.71Å; H72-Y76 AromaticContact ND1-CZ 3.54Å; H72-Y76 AromaticContact NE2-CE1 3.89Å; A73-Y76 VanDerWaalsContact O-CB 3.27Å; A73-Y76 WeakPolarHBondContact O-CB 3.38Å; A73-Y76 PolarHBondContact O-N 3.14Å; Y76-K78 VanDerWaalsContact C-N 3.28Å; Y76-K78 PolarHBondContact O-N 2.95Å; Y76-E79 PolarHBondContact O-N 3.14Å; Y76-L80 HydrophobicContact CE1-CD2 4.12Å; Y76-L80 WeakPolarHBondContact O-CB 3.23Å; Y76-L80 PolarHBondContact O-N 2.92Å
77W78.3Confident66.4Low42 Ų4285.1 Ų85.116%0.15944%0.437CS..Hα-helixtrans-69.9-27.9-179.6-76.495.7000112.4N38 W41 K42 Y45 H72 G75 L80 H81N38-W77 PolarHBondContact OD1-N 2.83Å; N38-W77 VanDerWaalsContact OD1-N 3.14Å; W41-W77 HydrophobicContact CB-CB 3.55Å; K42-W77 HydrophobicContact CB-CD2 3.76Å; K42-W77 HydrophobicContact CB-CE3 4.14Å; K42-W77 HydrophobicContact CB-CG 3.92Å; K42-W77 HydrophobicContact CD-CD2 4.47Å; K42-W77 HydrophobicContact CD-CH2 4.42Å; K42-W77 HydrophobicContact CD-CZ2 3.88Å; K42-W77 HydrophobicContact CG-CD2 3.97Å; K42-W77 HydrophobicContact CG-CE3 4.12Å; K42-W77 HydrophobicContact CG-CH2 4.15Å; K42-W77 HydrophobicContact CG-CZ2 3.99Å; K42-W77 HydrophobicContact CG-CZ3 4.21Å; Y45-W77 HydrophobicContact CD1-CE3 4.37Å; Y45-W77 AromaticContact CD1-CZ3 3.86Å; Y45-W77 HydrophobicContact CD1-CZ3 3.86Å; Y45-W77 HydrophobicContact CD2-CE3 4.49Å; Y45-W77 HydrophobicContact CE1-CZ3 4.26Å; Y45-W77 HydrophobicContact CG-CE3 4.11Å; Y45-W77 HydrophobicContact CG-CZ3 4.06Å; H72-W77 AromaticContact CD2-NE1 3.94Å; G75-W77 PolarHBondContact O-N 2.93Å; W77-L80 HydrophobicContact CE3-CD2 4.06Å; W77-L80 HydrophobicContact CZ3-CD2 3.92Å; W77-H81 VanDerWaalsContact O-CB 3.23Å; W77-H81 WeakPolarHBondContact O-CB 3.23Å; W77-H81 PolarHBondContact O-N 2.81Å
78K79Confident67.7Low23 Ų2378 Ų7810%0.141%0.409CS..Hα-helixtrans-63.5-51.1171.6176.1178.7179.7-176.60110.4S25 W41 G75 Y76 L80 H81 V82S25-K78 PolarHBondContact OG-NZ 2.82Å; W41-K78 HydrophobicContact CB-CB 4.44Å; W41-K78 VanDerWaalsContact CD2-CA 3.49Å; W41-K78 HydrophobicContact CD2-CB 3.54Å; W41-K78 HydrophobicContact CD2-CG 3.89Å; W41-K78 HydrophobicContact CE3-CB 4.1Å; W41-K78 HydrophobicContact CE3-CG 4.24Å; W41-K78 HydrophobicContact CG-CB 3.67Å; W41-K78 HydrophobicContact CG-CG 4.48Å; W41-K78 HydrophobicContact CH2-CG 3.95Å; W41-K78 HydrophobicContact CZ2-CB 4.18Å; W41-K78 HydrophobicContact CZ2-CD 3.83Å; W41-K78 HydrophobicContact CZ2-CG 3.58Å; W41-K78 HydrophobicContact CZ3-CG 4.25Å; G75-K78 VanDerWaalsContact O-CB 3.29Å; G75-K78 WeakPolarHBondContact O-CB 3.3Å; G75-K78 PolarHBondContact O-N 2.81Å; G75-K78 VanDerWaalsContact O-N 3.14Å; Y76-K78 VanDerWaalsContact C-N 3.28Å; Y76-K78 PolarHBondContact O-N 2.95Å; K78-L80 PolarHBondContact O-N 3Å; K78-H81 PolarHBondContact O-N 2.82Å; K78-V82 VanDerWaalsContact O-CG2 3.3Å; K78-V82 WeakPolarHBondContact O-CG2 3.39Å; K78-V82 PolarHBondContact O-N 2.79Å
79E71.4Confident68.8Low103 Ų10371.7 Ų71.748%0.48138%0.383SS..Hα-helixtrans-61.6-44178.3-170.7-176.7173.400111.6G75 Y76 V82 K83G75-E79 PolarHBondContact O-N 2.78Å; Y76-E79 PolarHBondContact O-N 3.14Å; E79-V82 PolarHBondContact O-N 2.84Å; E79-K83 HydrophobicContact CG-CD 4.17Å; E79-K83 WeakPolarHBondContact O-CB 3.45Å; E79-K83 VanDerWaalsContact O-CG 3.31Å; E79-K83 WeakPolarHBondContact O-CG 3.43Å; E79-K83 PolarHBondContact O-N 3.34Å; E79-K83 WeakPolarHBondContact OE1-CE 3.33Å; E79-K83 IonicContact OE1-NZ 2.7Å; E79-K83 PolarHBondContact OE1-NZ 2.82Å
80L77Confident70Confident28 Ų2868.6 Ų68.615%0.14736%0.361CS..Hα-helixtrans-64.9-40.7178.7-173.163.8000112.5Y45 V62 Y76 W77 K78 T84Y45-L80 HydrophobicContact CE2-CD2 4.24Å; Y45-L80 HydrophobicContact CE2-CG 3.97Å; V62-L80 HydrophobicContact CG1-CD1 3.9Å; Y76-L80 HydrophobicContact CE1-CD2 4.12Å; Y76-L80 WeakPolarHBondContact O-CB 3.23Å; Y76-L80 PolarHBondContact O-N 2.92Å; W77-L80 HydrophobicContact CE3-CD2 4.06Å; W77-L80 HydrophobicContact CZ3-CD2 3.92Å; K78-L80 PolarHBondContact O-N 3Å; L80-T84 VanDerWaalsContact O-CB 3.27Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 2.79Å; L80-T84 PolarHBondContact O-OG1 3.12Å
81H74.1Confident71.1Confident8 Ų860.9 Ų60.94%0.03733%0.334CS..Hα-helixtrans-60.5-54.1174.7-177.7-73.2000110.8W41 Y45 D48 W77 K78 K83 T84 V85W41-H81 HydrophobicContact CE3-CB 3.96Å; W41-H81 HydrophobicContact CZ3-CB 4.3Å; W41-H81 AromaticContact CZ3-ND1 3.97Å; Y45-H81 HydrophobicContact CD2-CB 4.07Å; D48-H81 IonicContact OD2-CD2 3.66Å; D48-H81 IonicContact OD2-CE1 2.78Å; D48-H81 IonicContact OD2-NE2 3.59Å; D48-H81 PolarHBondContact OD2-NE2 2.94Å; W77-H81 VanDerWaalsContact O-CB 3.23Å; W77-H81 WeakPolarHBondContact O-CB 3.23Å; W77-H81 PolarHBondContact O-N 2.81Å; K78-H81 PolarHBondContact O-N 2.82Å; H81-K83 PolarHBondContact O-N 2.83Å; H81-T84 PolarHBondContact O-N 2.89Å; H81-T84 VanDerWaalsContact O-N 3.11Å; H81-V85 WeakPolarHBondContact O-CG2 3.32Å; H81-V85 PolarHBondContact O-N 3.24Å
82V70.2Confident72.2Confident66 Ų6659.2 Ų59.240%0.432%0.319SS..Hα-helixtrans-56.8-48.1179.1172.30000111.2K78 E79 T84 V85 A86K78-V82 VanDerWaalsContact O-CG2 3.3Å; K78-V82 WeakPolarHBondContact O-CG2 3.39Å; K78-V82 PolarHBondContact O-N 2.79Å; E79-V82 PolarHBondContact O-N 2.84Å; V82-T84 VanDerWaalsContact C-N 3.35Å; V82-T84 PolarHBondContact O-N 3.4Å; V82-V85 PolarHBondContact O-N 3.24Å; V82-A86 VanDerWaalsContact O-CB 3.32Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.43Å
83K68.2Low72.8Confident122 Ų12257.3 Ų57.353%0.5331%0.31SS..Hα-helixtrans-60.7-41.7177.1-76.1-179.5-178.5174.70112.4E79 H81 H87E79-K83 HydrophobicContact CG-CD 4.17Å; E79-K83 WeakPolarHBondContact O-CB 3.45Å; E79-K83 VanDerWaalsContact O-CG 3.31Å; E79-K83 WeakPolarHBondContact O-CG 3.43Å; E79-K83 PolarHBondContact O-N 3.34Å; E79-K83 WeakPolarHBondContact OE1-CE 3.33Å; E79-K83 IonicContact OE1-NZ 2.7Å; E79-K83 PolarHBondContact OE1-NZ 2.82Å; H81-K83 PolarHBondContact O-N 2.83Å; K83-H87 VanDerWaalsContact O-CB 3.31Å; K83-H87 WeakPolarHBondContact O-CB 3.21Å; K83-H87 PolarHBondContact O-N 3.32Å
84T70.5Confident73Confident19 Ų1959.5 Ų59.512%0.11731%0.305CS..Hα-helixtrans-71.5-41.6-176.9-560000111.7Y45 I49 L80 H81 V82 H87 C88Y45-T84 HydrophobicContact CE2-CG2 4.29Å; I49-T84 HydrophobicContact CD1-CG2 3.74Å; I49-T84 HydrophobicContact CG1-CG2 4.42Å; I49-T84 HydrophobicContact CG2-CG2 3.95Å; L80-T84 VanDerWaalsContact O-CB 3.27Å; L80-T84 WeakPolarHBondContact O-CB 3.45Å; L80-T84 PolarHBondContact O-N 2.79Å; L80-T84 PolarHBondContact O-OG1 3.12Å; H81-T84 PolarHBondContact O-N 2.89Å; H81-T84 VanDerWaalsContact O-N 3.11Å; V82-T84 VanDerWaalsContact C-N 3.35Å; V82-T84 PolarHBondContact O-N 3.4Å; T84-H87 PolarHBondContact O-N 3.39Å; T84-C88 WeakPolarHBondContact O-CB 3.43Å; T84-C88 PolarHBondContact O-N 2.84Å; T84-C88 PolarHBondContact O-SG 3.31Å
85V69.6Low73.4Confident43 Ų4363.3 Ų63.326%0.26130%0.3SS..Hα-helixtrans-61.1-51.1174.5172.90000110.1I49 H81 V82 H87 C88 E89I49-V85 HydrophobicContact CD1-CG2 4.21Å; H81-V85 WeakPolarHBondContact O-CG2 3.32Å; H81-V85 PolarHBondContact O-N 3.24Å; V82-V85 PolarHBondContact O-N 3.24Å; V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 PolarHBondContact O-N 3.22Å; V85-C88 PolarHBondContact O-N 3.22Å; V85-C88 VanDerWaalsContact O-N 3.12Å; V85-E89 WeakPolarHBondContact O-CG 3.41Å; V85-E89 PolarHBondContact O-N 2.86Å
86A66.8Low73.8Confident44 Ų4465 Ų6536%0.36431%0.305SS..Hα-helixtrans-56.8-42.7177.900000112.2V82 M90V82-A86 VanDerWaalsContact O-CB 3.32Å; V82-A86 WeakPolarHBondContact O-CB 3.4Å; V82-A86 PolarHBondContact O-N 3.43Å; A86-M90 VanDerWaalsContact O-CB 3.26Å; A86-M90 WeakPolarHBondContact O-CB 3.27Å; A86-M90 PolarHBondContact O-N 2.9Å
87H66.6Low73.9Confident104 Ų10463 Ų6348%0.48130%0.299SS..Hα-helixtrans-65.8-39.6176.9-176.164000113.5K83 T84 V85 M90 K91K83-H87 VanDerWaalsContact O-CB 3.31Å; K83-H87 WeakPolarHBondContact O-CB 3.21Å; K83-H87 PolarHBondContact O-N 3.32Å; T84-H87 PolarHBondContact O-N 3.39Å; V85-H87 VanDerWaalsContact C-N 3.3Å; V85-H87 PolarHBondContact O-N 3.22Å; H87-M90 PolarHBondContact O-N 2.75Å; H87-K91 VanDerWaalsContact NE2-CE 3.29Å; H87-K91 WeakPolarHBondContact NE2-CE 3.46Å; H87-K91 PolarHBondContact NE2-NZ 3.33Å; H87-K91 PolarHBondContact O-N 2.96Å
88C68.3Low74.1Confident30 Ų3063.3 Ų63.320%0.20332%0.315CS..Hα-helixtrans-68.2-42.5179.4-700000111.8Q55 T84 V85 K91 K92Q55-C88 PolarHBondContact NE2-SG 3.48Å; T84-C88 WeakPolarHBondContact O-CB 3.43Å; T84-C88 PolarHBondContact O-N 2.84Å; T84-C88 PolarHBondContact O-SG 3.31Å; V85-C88 PolarHBondContact O-N 3.22Å; V85-C88 VanDerWaalsContact O-N 3.12Å; C88-K91 PolarHBondContact O-N 2.87Å; C88-K92 PolarHBondContact O-N 2.8Å; C88-K92 VanDerWaalsContact O-N 3.17Å
89E68.9Low74.4Confident62 Ų6265.4 Ų65.429%0.2933%0.331SS..Hα-helixtrans-61.3-45.8171.7-69.3-177.2128.200110.8V85 K91 K92 W93 R172V85-E89 WeakPolarHBondContact O-CG 3.41Å; V85-E89 PolarHBondContact O-N 2.86Å; E89-K91 VanDerWaalsContact C-N 3.32Å; E89-K91 PolarHBondContact O-N 3.4Å; E89-K92 WeakPolarHBondContact O-CA 3.37Å; E89-K92 VanDerWaalsContact O-CB 3.28Å; E89-K92 WeakPolarHBondContact O-CB 3.49Å; E89-K92 PolarHBondContact O-N 2.84Å; E89-W93 VanDerWaalsContact C-CD1 3.5Å; E89-W93 PolarHBondContact O-N 3.22Å; E89-W93 PolarHBondContact O-NE1 3.19Å; E89-R172 VanDerWaalsContact CD-NH2 3.29Å; E89-R172 IonicContact OE1-NH2 3.95Å; E89-R172 PolarHBondContact OE1-NH2 2.86Å; E89-R172 IonicContact OE2-CZ 3.53Å; E89-R172 IonicContact OE2-NH1 3.69Å; E89-R172 IonicContact OE2-NH2 2.81Å; E89-R172 PolarHBondContact OE2-NH2 2.7Å
90M68.7Low75.2Confident42 Ų4265.8 Ų65.821%0.20734%0.335CS..Hα-helixtrans-59.2-42.3178.7-17451.3134.300112.4A86 H87 K92 W93 K94 R249A86-M90 VanDerWaalsContact O-CB 3.26Å; A86-M90 WeakPolarHBondContact O-CB 3.27Å; A86-M90 PolarHBondContact O-N 2.9Å; H87-M90 PolarHBondContact O-N 2.75Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 2.96Å; M90-W93 PolarHBondContact O-N 2.86Å; M90-K94 HydrophobicContact CG-CD 4.41Å; M90-K94 HydrophobicContact CG-CG 4.46Å; M90-K94 WeakPolarHBondContact O-CB 3.33Å; M90-K94 WeakPolarHBondContact O-CG 3.49Å; M90-K94 PolarHBondContact O-N 3.25Å; M90-K94 HydrophobicContact SD-CG 4.23Å; M90-R249 HydrophobicContact CE-CG 4.17Å
91K73.5Confident75.7Confident85 Ų8567 Ų6737%0.3734%0.342SS..Hα-helixtrans-61.7-34.5173.6-79.1-177.9172.81780112.9H87 C88 E89 R95H87-K91 VanDerWaalsContact NE2-CE 3.29Å; H87-K91 WeakPolarHBondContact NE2-CE 3.46Å; H87-K91 PolarHBondContact NE2-NZ 3.33Å; H87-K91 PolarHBondContact O-N 2.96Å; C88-K91 PolarHBondContact O-N 2.87Å; E89-K91 VanDerWaalsContact C-N 3.32Å; E89-K91 PolarHBondContact O-N 3.4Å; K91-R95 WeakPolarHBondContact O-CG 3.47Å; K91-R95 PolarHBondContact O-N 2.94Å
92K77.5Confident76.2Confident121 Ų12170.4 Ų70.453%0.52637%0.366SS..Hα-helixtrans-67.1-47.5176.3-176.9-175.7175.6-175.60110.7C88 E89 M90 R95 L96C88-K92 PolarHBondContact O-N 2.8Å; C88-K92 VanDerWaalsContact O-N 3.17Å; E89-K92 WeakPolarHBondContact O-CA 3.37Å; E89-K92 VanDerWaalsContact O-CB 3.28Å; E89-K92 WeakPolarHBondContact O-CB 3.49Å; E89-K92 PolarHBondContact O-N 2.84Å; M90-K92 VanDerWaalsContact C-N 3.28Å; M90-K92 PolarHBondContact O-N 2.96Å; K92-R95 WeakPolarHBondContact O-CB 3.21Å; K92-R95 PolarHBondContact O-N 3.45Å; K92-L96 PolarHBondContact O-N 2.77Å
93W77.1Confident76.9Confident20 Ų2072.2 Ų72.28%0.07637%0.37CS..Hα-helixtrans-73-34.5-178.2-51.3122.8000112.5E89 M90 R95 L96 L97 V113 N116 L117E89-W93 VanDerWaalsContact C-CD1 3.5Å; E89-W93 PolarHBondContact O-N 3.22Å; E89-W93 PolarHBondContact O-NE1 3.19Å; M90-W93 PolarHBondContact O-N 2.86Å; W93-R95 PolarHBondContact O-N 3.31Å; W93-L96 HydrophobicContact CD2-CD1 4.45Å; W93-L96 HydrophobicContact CE3-CD1 3.24Å; W93-L96 HydrophobicContact CZ3-CD1 3.31Å; W93-L96 CarbonylContact O-C 3.6Å; W93-L96 WeakPolarHBondContact O-CA 3.43Å; W93-L96 PolarHBondContact O-N 2.83Å; W93-L97 WeakPolarHBondContact O-CG 3.34Å; W93-L97 PolarHBondContact O-N 2.87Å; W93-V113 HydrophobicContact CB-CG1 3.93Å; W93-V113 HydrophobicContact CD2-CG1 4.45Å; W93-V113 HydrophobicContact CE3-CG1 4.39Å; W93-V113 HydrophobicContact CE3-CG2 4.34Å; W93-V113 HydrophobicContact CG-CG1 4.24Å; W93-N116 HydrophobicContact CE3-CB 4.42Å; W93-N116 HydrophobicContact CH2-CB 3.52Å; W93-N116 HydrophobicContact CZ2-CB 4.23Å; W93-N116 HydrophobicContact CZ3-CB 3.63Å; W93-L117 VanDerWaalsContact CD1-CD2 3.46Å; W93-L117 HydrophobicContact CD2-CD2 4.45Å; W93-L117 HydrophobicContact CD2-CG 4.37Å; W93-L117 HydrophobicContact CG-CD1 4.36Å; W93-L117 HydrophobicContact CG-CD2 4.27Å; W93-L117 HydrophobicContact CG-CG 4.31Å
94K80Confident77.8Confident121 Ų12166.8 Ų66.853%0.52635%0.347SS..Hα-helixtrans-56.5-33.3170.5-79.5-173.7175.2-1680113.2M90 G98M90-K94 HydrophobicContact CG-CD 4.41Å; M90-K94 HydrophobicContact CG-CG 4.46Å; M90-K94 WeakPolarHBondContact O-CB 3.33Å; M90-K94 WeakPolarHBondContact O-CG 3.49Å; M90-K94 PolarHBondContact O-N 3.25Å; M90-K94 HydrophobicContact SD-CG 4.23Å; K94-G98 PolarHBondContact O-N 2.96Å; K94-G98 VanDerWaalsContact O-N 3.07Å
95R82.1Confident78.6Confident173 Ų17366.4 Ų66.465%0.65335%0.347SS*.Hα-helixtrans-70.4-36.5174.1-69.8170.8176.4-163.4-9112.2R58 K91 K92 W93 G98 P99R58-R95 VanDerWaalsContact NH2-NH2 3.16Å; K91-R95 WeakPolarHBondContact O-CG 3.47Å; K91-R95 PolarHBondContact O-N 2.94Å; K92-R95 WeakPolarHBondContact O-CB 3.21Å; K92-R95 PolarHBondContact O-N 3.45Å; W93-R95 PolarHBondContact O-N 3.31Å; R95-G98 PolarHBondContact O-N 2.85Å; R95-P99 WeakPolarHBondContact O-CD 3.37Å
96L81.4Confident79.6Confident47 Ų4764.6 Ų64.625%0.24634%0.336CS..Hα-helixtrans-76.1-28.9178.1-68.2164.2000112.3K92 W93 G98 P99 V113K92-L96 PolarHBondContact O-N 2.77Å; W93-L96 HydrophobicContact CD2-CD1 4.45Å; W93-L96 HydrophobicContact CE3-CD1 3.24Å; W93-L96 HydrophobicContact CZ3-CD1 3.31Å; W93-L96 CarbonylContact O-C 3.6Å; W93-L96 WeakPolarHBondContact O-CA 3.43Å; W93-L96 PolarHBondContact O-N 2.83Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; L96-V113 HydrophobicContact CB-CG2 3.79Å
97L83.2Confident80.7Confident21 Ų2164.1 Ų64.111%0.1133%0.329CS..SBendtrans-80.7-9.2170.2-64.5173.7000113W93 P107 V113 V244W93-L97 WeakPolarHBondContact O-CG 3.34Å; W93-L97 PolarHBondContact O-N 2.87Å; L97-P107 HydrophobicContact CB-CB 4.09Å; L97-P107 HydrophobicContact CB-CG 4.37Å; L97-P107 HydrophobicContact CD2-CB 3.61Å; L97-P107 HydrophobicContact CD2-CG 4.12Å; L97-P107 HydrophobicContact CG-CB 4.47Å; L97-P107 WeakPolarHBondContact O-CB 3.23Å; L97-V113 HydrophobicContact CD2-CB 4.21Å; L97-V113 HydrophobicContact CD2-CG1 4.37Å; L97-V113 HydrophobicContact CD2-CG2 3.94Å; L97-V113 HydrophobicContact CG-CG1 4.43Å; L97-V113 HydrophobicContact CG-CG2 4.16Å; L97-V244 HydrophobicContact CD1-CB 4.3Å; L97-V244 HydrophobicContact CD1-CG1 4.35Å; L97-V244 HydrophobicContact CD1-CG2 4.28Å; L97-V244 HydrophobicContact CD2-CG2 4.2Å
98G81.4Confident81.7Confident47 Ų4762.6 Ų62.649%0.48533%0.33SS..  trans-62.5-41-177.400000114.5K94 R95 L96 I100K94-G98 PolarHBondContact O-N 2.96Å; K94-G98 VanDerWaalsContact O-N 3.07Å; R95-G98 PolarHBondContact O-N 2.85Å; L96-G98 VanDerWaalsContact C-N 3.28Å; G98-I100 PolarHBondContact O-N 2.89Å; G98-I100 VanDerWaalsContact O-N 3.08Å
99P84.8Confident82.7Confident67 Ų6763.9 Ų63.944%0.43533%0.333SS..  trans-70.8103.5175.5-18.632.5000111.3R95 L96 S108R95-P99 WeakPolarHBondContact O-CD 3.37Å; L96-P99 WeakPolarHBondContact O-CD 3.49Å; P99-S108 PolarHBondContact O-N 2.9Å; P99-S108 PolarHBondContact O-OG 3.1Å
100I89.1Confident83.8Confident112 Ų11261 Ų6157%0.57432%0.32SS*.BIsolated β-bridgetrans-89.8133176.5-60.5174.7000109G98G98-I100 PolarHBondContact O-N 2.89Å; G98-I100 VanDerWaalsContact O-N 3.08Å
101N87.1Confident85Confident54 Ų5462.3 Ų62.329%0.28933%0.326SS..  trans-73.6128.5173.4-179.4-37.2000109.7H103 T104 G105 L106N101-H103 VanDerWaalsContact C-N 3.27Å; N101-H103 PolarHBondContact O-N 2.86Å; N101-H103 WeakPolarHBondContact OD1-CB 3.37Å; N101-H103 PolarHBondContact OD1-N 3.03Å; N101-H103 PolarHBondContact OD1-ND1 3.31Å; N101-T104 WeakPolarHBondContact CB-OG1 3.3Å; N101-T104 PolarHBondContact OD1-N 3.08Å; N101-G105 VanDerWaalsContact O-CA 3.24Å; N101-G105 WeakPolarHBondContact O-CA 3.12Å; N101-G105 PolarHBondContact O-N 2.79Å; N101-L106 PolarHBondContact N-O 2.69Å
102S85.4Confident85.8Confident79 Ų7962.9 Ų62.955%0.55233%0.33SS*.THydrogen-bonded Turntrans-65.9-24.3-176.454.20000114.8
103H84.3Confident86.4Confident103 Ų10357.1 Ų57.148%0.47731%0.305SS..THydrogen-bonded Turntrans-89.1-38-177.8-54.795.9000111.7N101N101-H103 VanDerWaalsContact C-N 3.27Å; N101-H103 PolarHBondContact O-N 2.86Å; N101-H103 WeakPolarHBondContact OD1-CB 3.37Å; N101-H103 PolarHBondContact OD1-N 3.03Å; N101-H103 PolarHBondContact OD1-ND1 3.31Å
104T87.3Confident87.1Confident8 Ų856.2 Ų56.25%0.04930%0.301CS..THydrogen-bonded Turntrans-99.1-18.3-176.870.80000113.1N101 L106 T145 H280 T352 Q360N101-T104 WeakPolarHBondContact CB-OG1 3.3Å; N101-T104 PolarHBondContact OD1-N 3.08Å; T104-L106 PolarHBondContact O-N 3.27Å; T104-L106 WeakPolarHBondContact OG1-CB 3.45Å; T104-L106 PolarHBondContact OG1-N 2.96Å; T104-T145 HydrophobicContact CG2-CG2 3.98Å; T104-H280 HydrophobicContact CG2-CB 4.33Å; T104-T352 WeakPolarHBondContact O-CG2 3.45Å; T104-Q360 PolarHBondContact O-NE2 3.44Å
105G86.8Confident87.5Confident12 Ų1257.3 Ų57.312%0.12430%0.302CS..  trans63.716-171.700000113.5N101 Q360N101-G105 VanDerWaalsContact O-CA 3.24Å; N101-G105 WeakPolarHBondContact O-CA 3.12Å; N101-G105 PolarHBondContact O-N 2.79Å; G105-Q360 PolarHBondContact O-NE2 3.12Å
106L90.8Very high87.7Confident4 Ų452.8 Ų52.82%0.02129%0.291CS..SBendtrans-107.7154.4-176.4-65.7167.4000111.8N101 T104 S108 T145 F240 Y241N101-L106 PolarHBondContact N-O 2.69Å; T104-L106 PolarHBondContact O-N 3.27Å; T104-L106 WeakPolarHBondContact OG1-CB 3.45Å; T104-L106 PolarHBondContact OG1-N 2.96Å; L106-S108 PolarHBondContact O-N 2.99Å; L106-T145 HydrophobicContact CD1-CG2 3.76Å; L106-F240 HydrophobicContact CD1-CB 4.16Å; L106-F240 HydrophobicContact CD2-CB 4.41Å; L106-Y241 HydrophobicContact CD2-CD2 4.49Å
107P90.6Very high87.6Confident34 Ų3451.2 Ų51.222%0.22128%0.283CS..BIsolated β-bridgetrans-62.1123.9171.7-21.433.2000111.7L97 Q109 T110L97-P107 HydrophobicContact CB-CB 4.09Å; L97-P107 HydrophobicContact CB-CG 4.37Å; L97-P107 HydrophobicContact CD2-CB 3.61Å; L97-P107 HydrophobicContact CD2-CG 4.12Å; L97-P107 HydrophobicContact CG-CB 4.47Å; L97-P107 WeakPolarHBondContact O-CB 3.23Å; P107-Q109 PolarHBondContact O-N 2.78Å; P107-Q109 VanDerWaalsContact O-N 3.16Å; P107-T110 PolarHBondContact O-N 3.24Å; P107-T110 PolarHBondContact O-OG1 2.73Å
108S86.9Confident87.7Confident72 Ų7257.2 Ų57.250%0.50330%0.304SS..THydrogen-bonded Turntrans-63.1-21.5-176.8540000114.5P99 L106P99-S108 PolarHBondContact O-N 2.9Å; P99-S108 PolarHBondContact O-OG 3.1Å; L106-S108 PolarHBondContact O-N 2.99Å
109Q90Very high88Confident57 Ų5755.5 Ų55.527%0.26628%0.284SS..THydrogen-bonded Turntrans-112.423.1-175-59.7-173.55.100113.6P107 E111 Q112 V113P107-Q109 PolarHBondContact O-N 2.78Å; P107-Q109 VanDerWaalsContact O-N 3.16Å; Q109-E111 PolarHBondContact O-N 3.2Å; Q109-Q112 HydrophobicContact CB-CB 4.34Å; Q109-Q112 PolarHBondContact O-N 3.16Å; Q109-Q112 VanDerWaalsContact O-N 3.17Å; Q109-V113 WeakPolarHBondContact O-CG2 3.45Å; Q109-V113 PolarHBondContact O-N 2.85Å
110T92.1Very high88.4Confident2 Ų254.5 Ų54.51%0.01228%0.277CS..Hα-helixtrans-53.2-49.8-177-61.80000112.4P107 Q112 V113 L114 F240 V244P107-T110 PolarHBondContact O-N 3.24Å; P107-T110 PolarHBondContact O-OG1 2.73Å; T110-Q112 PolarHBondContact O-N 3.29Å; T110-V113 PolarHBondContact O-N 3.09Å; T110-L114 HydrophobicContact CG2-CD1 4.07Å; T110-L114 WeakPolarHBondContact O-CG 3.35Å; T110-L114 PolarHBondContact O-N 2.79Å; T110-F240 HydrophobicContact CG2-CB 4.07Å; T110-F240 HydrophobicContact CG2-CD1 4.17Å; T110-F240 HydrophobicContact CG2-CD2 3.99Å; T110-F240 HydrophobicContact CG2-CE2 4.5Å; T110-F240 HydrophobicContact CG2-CG 3.81Å; T110-V244 HydrophobicContact CG2-CG2 4.25Å
111E92.9Very high88.6Confident69 Ų6949.6 Ų49.632%0.32225%0.251SS..Hα-helixtrans-58.9-49.4176.9173.7176-176.900111.9Q109 V113 L114 R115 F142Q109-E111 PolarHBondContact O-N 3.2Å; E111-V113 VanDerWaalsContact C-N 3.27Å; E111-V113 PolarHBondContact O-N 2.97Å; E111-L114 PolarHBondContact O-N 3.01Å; E111-R115 HydrophobicContact CG-CG 4.37Å; E111-R115 WeakPolarHBondContact O-CG 3.45Å; E111-R115 PolarHBondContact O-N 3.16Å; E111-R115 IonicContact OE1-CZ 3.36Å; E111-R115 IonicContact OE1-NE 2.68Å; E111-R115 PolarHBondContact OE1-NE 3.37Å; E111-R115 IonicContact OE1-NH2 2.86Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å; E111-F142 HydrophobicContact CB-CB 4.39Å; E111-F142 HydrophobicContact CB-CD1 3.7Å; E111-F142 HydrophobicContact CB-CE1 4.09Å; E111-F142 HydrophobicContact CB-CG 3.97Å; E111-F142 VanDerWaalsContact CD-CB 3.44Å; E111-F142 HydrophobicContact CG-CB 4.08Å; E111-F142 HydrophobicContact CG-CD1 3.69Å; E111-F142 HydrophobicContact CG-CD2 3.68Å; E111-F142 HydrophobicContact CG-CE1 4Å; E111-F142 HydrophobicContact CG-CE2 3.98Å; E111-F142 HydrophobicContact CG-CG 3.52Å; E111-F142 HydrophobicContact CG-CZ 4.14Å; E111-F142 WeakPolarHBondContact OE1-CD2 3.44Å; E111-F142 VanDerWaalsContact OE2-CB 3.3Å; E111-F142 WeakPolarHBondContact OE2-CB 3.24Å
112Q90.5Very high88.9Confident98 Ų9847.8 Ų47.846%0.45824%0.241SC..Hα-helixtrans-60.3-39.8-178.6-173.2-179.46.300111.3Q109 T110 N116Q109-Q112 HydrophobicContact CB-CB 4.34Å; Q109-Q112 PolarHBondContact O-N 3.16Å; Q109-Q112 VanDerWaalsContact O-N 3.17Å; T110-Q112 PolarHBondContact O-N 3.29Å; Q112-N116 VanDerWaalsContact O-CB 3.27Å; Q112-N116 WeakPolarHBondContact O-CB 3.2Å; Q112-N116 PolarHBondContact O-N 2.83Å; Q112-N116 PolarHBondContact O-ND2 2.86Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å
113V90.4Very high89.3Confident0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-65.8-45.8176.8171.60000111.2W93 L96 L97 Q109 T110 E111 R115 N116 L117 V244W93-V113 HydrophobicContact CB-CG1 3.93Å; W93-V113 HydrophobicContact CD2-CG1 4.45Å; W93-V113 HydrophobicContact CE3-CG1 4.39Å; W93-V113 HydrophobicContact CE3-CG2 4.34Å; W93-V113 HydrophobicContact CG-CG1 4.24Å; L96-V113 HydrophobicContact CB-CG2 3.79Å; L97-V113 HydrophobicContact CD2-CB 4.21Å; L97-V113 HydrophobicContact CD2-CG1 4.37Å; L97-V113 HydrophobicContact CD2-CG2 3.94Å; L97-V113 HydrophobicContact CG-CG1 4.43Å; L97-V113 HydrophobicContact CG-CG2 4.16Å; Q109-V113 WeakPolarHBondContact O-CG2 3.45Å; Q109-V113 PolarHBondContact O-N 2.85Å; T110-V113 PolarHBondContact O-N 3.09Å; E111-V113 VanDerWaalsContact C-N 3.27Å; E111-V113 PolarHBondContact O-N 2.97Å; V113-R115 PolarHBondContact O-N 3.31Å; V113-N116 PolarHBondContact O-N 3.07Å; V113-L117 HydrophobicContact CG1-CD1 3.75Å; V113-L117 HydrophobicContact CG1-CG 4.43Å; V113-L117 WeakPolarHBondContact O-CB 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.08Å; V113-V244 HydrophobicContact CB-CG2 4.41Å; V113-V244 HydrophobicContact CG1-CG1 3.97Å; V113-V244 HydrophobicContact CG1-CG2 3.93Å
114L90.9Very high89.8Confident1 Ų139.3 Ų39.31%0.00519%0.193CC..Hα-helixtrans-60-44.5176.7-72.5168000111.9T110 E111 L117 R118 V119 W121 F142 L243 V244T110-L114 HydrophobicContact CG2-CD1 4.07Å; T110-L114 WeakPolarHBondContact O-CG 3.35Å; T110-L114 PolarHBondContact O-N 2.79Å; E111-L114 PolarHBondContact O-N 3.01Å; L114-L117 PolarHBondContact O-N 2.94Å; L114-R118 PolarHBondContact O-N 3.28Å; L114-R118 VanDerWaalsContact O-N 3.13Å; L114-V119 HydrophobicContact CD2-CB 4.07Å; L114-V119 HydrophobicContact CD2-CG1 4.19Å; L114-V119 HydrophobicContact CD2-CG2 4.07Å; L114-V119 PolarHBondContact O-N 3.39Å; L114-V119 VanDerWaalsContact O-N 3.11Å; L114-W121 HydrophobicContact CD1-CH2 4.2Å; L114-W121 HydrophobicContact CD1-CZ2 4.27Å; L114-W121 HydrophobicContact CD2-CH2 4.49Å; L114-W121 HydrophobicContact CD2-CZ2 4.23Å; L114-F142 HydrophobicContact CD1-CE1 3.79Å; L114-F142 HydrophobicContact CD1-CZ 4.39Å; L114-L243 HydrophobicContact CD1-CD2 3.88Å; L114-L243 HydrophobicContact CD1-CG 4.16Å; L114-V244 HydrophobicContact CD2-CB 4.42Å; L114-V244 HydrophobicContact CD2-CG2 3.94Å; L114-V244 HydrophobicContact CG-CG2 3.96Å
115R89.6Confident90Very high144 Ų14439 Ų3954%0.54319%0.191SC..Hα-helixtrans-63.3-44.7176.3-70.4-177.8-177.3-81.92.9112E111 V113 L117 R118E111-R115 HydrophobicContact CG-CG 4.37Å; E111-R115 WeakPolarHBondContact O-CG 3.45Å; E111-R115 PolarHBondContact O-N 3.16Å; E111-R115 IonicContact OE1-CZ 3.36Å; E111-R115 IonicContact OE1-NE 2.68Å; E111-R115 PolarHBondContact OE1-NE 3.37Å; E111-R115 IonicContact OE1-NH2 2.86Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å; V113-R115 PolarHBondContact O-N 3.31Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.89Å; R115-R118 PolarHBondContact O-N 3.01Å
116N85.1Confident90.3Very high78 Ų7838.9 Ų38.942%0.41719%0.188SC..Hα-helixtrans-64.7-36.6178.3-75.7-22.9000112.6W93 Q112 V113 R118W93-N116 HydrophobicContact CE3-CB 4.42Å; W93-N116 HydrophobicContact CH2-CB 3.52Å; W93-N116 HydrophobicContact CZ2-CB 4.23Å; W93-N116 HydrophobicContact CZ3-CB 3.63Å; Q112-N116 VanDerWaalsContact O-CB 3.27Å; Q112-N116 WeakPolarHBondContact O-CB 3.2Å; Q112-N116 PolarHBondContact O-N 2.83Å; Q112-N116 PolarHBondContact O-ND2 2.86Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å; V113-N116 PolarHBondContact O-N 3.07Å; N116-R118 PolarHBondContact O-N 2.98Å
117L81.3Confident90.3Very high14 Ų1440.3 Ų40.37%0.07320%0.196CC..THydrogen-bonded Turntrans-74-8174.1-77.3171000113.3W93 V113 L114 R115 V119 V244 T248W93-L117 VanDerWaalsContact CD1-CD2 3.46Å; W93-L117 HydrophobicContact CD2-CD2 4.45Å; W93-L117 HydrophobicContact CD2-CG 4.37Å; W93-L117 HydrophobicContact CG-CD1 4.36Å; W93-L117 HydrophobicContact CG-CD2 4.27Å; W93-L117 HydrophobicContact CG-CG 4.31Å; V113-L117 HydrophobicContact CG1-CD1 3.75Å; V113-L117 HydrophobicContact CG1-CG 4.43Å; V113-L117 WeakPolarHBondContact O-CB 3.24Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.08Å; L114-L117 PolarHBondContact O-N 2.94Å; R115-L117 VanDerWaalsContact C-N 3.32Å; R115-L117 PolarHBondContact O-N 2.89Å; L117-V119 HydrophobicContact CB-CG2 3.77Å; L117-V119 PolarHBondContact O-N 3.1Å; L117-V244 HydrophobicContact CD1-CG1 3.75Å; L117-T248 HydrophobicContact CD1-CG2 4.4Å
118R84.4Confident90.3Very high146 Ų14643.8 Ų43.855%0.55121%0.21SC*.THydrogen-bonded Turntrans52.142-175.1-54.4-176.6-173.3-170.20.3111.7L114 R115 N116 T120L114-R118 PolarHBondContact O-N 3.28Å; L114-R118 VanDerWaalsContact O-N 3.13Å; R115-R118 PolarHBondContact O-N 3.01Å; N116-R118 PolarHBondContact O-N 2.98Å; R118-T120 PolarHBondContact O-N 3.45Å
119V88.6Confident90.3Very high11 Ų1144.3 Ų44.37%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-71.6125.2171.8179.30000107.8L114 L117 W121 V171 T248L114-V119 HydrophobicContact CD2-CB 4.07Å; L114-V119 HydrophobicContact CD2-CG1 4.19Å; L114-V119 HydrophobicContact CD2-CG2 4.07Å; L114-V119 PolarHBondContact O-N 3.39Å; L114-V119 VanDerWaalsContact O-N 3.11Å; L117-V119 HydrophobicContact CB-CG2 3.77Å; L117-V119 PolarHBondContact O-N 3.1Å; V119-W121 HydrophobicContact CG1-CH2 4.17Å; V119-W121 HydrophobicContact CG1-CZ2 3.78Å; V119-V171 WeakPolarHBondContact CA-O 3.47Å; V119-T248 HydrophobicContact CG2-CG2 3.7Å
120T91.3Very high90.1Very high47 Ų4744.2 Ų44.229%0.28823%0.228SC..EExtended strand (participates in β ladder)trans-113.7173.5166.655.10000108.7R118 V171R118-T120 PolarHBondContact O-N 3.45Å; T120-V171 PolarHBondContact N-O 3.21Å; T120-V171 PolarHBondContact O-N 3.27Å; T120-V171 PolarHBondContact OG1-O 2.97Å
121W94Very high89.9Confident8 Ų853 Ų533%0.0326%0.261CS..EExtended strand (participates in β ladder)trans-125.5142.6174.8-65.3-91.4000110.2L114 V119 L137 F142 L147 L149 W151 L168 H169 S247L114-W121 HydrophobicContact CD1-CH2 4.2Å; L114-W121 HydrophobicContact CD1-CZ2 4.27Å; L114-W121 HydrophobicContact CD2-CH2 4.49Å; L114-W121 HydrophobicContact CD2-CZ2 4.23Å; V119-W121 HydrophobicContact CG1-CH2 4.17Å; V119-W121 HydrophobicContact CG1-CZ2 3.78Å; W121-L137 HydrophobicContact CE3-CD2 4.33Å; W121-F142 HydrophobicContact CH2-CZ 4.16Å; W121-F142 HydrophobicContact CZ3-CZ 4.47Å; W121-L147 HydrophobicContact CD2-CD2 4.28Å; W121-L147 HydrophobicContact CE3-CD2 4.26Å; W121-L147 HydrophobicContact CH2-CD2 3.34Å; W121-L147 HydrophobicContact CZ2-CD2 3.32Å; W121-L147 HydrophobicContact CZ3-CD2 3.83Å; W121-L149 HydrophobicContact CB-CD1 3.84Å; W121-L149 HydrophobicContact CD2-CD1 3.84Å; W121-L149 HydrophobicContact CD2-CD2 4Å; W121-L149 HydrophobicContact CE3-CD1 4.41Å; W121-L149 HydrophobicContact CE3-CD2 3.7Å; W121-L149 HydrophobicContact CG-CD1 3.54Å; W121-L149 HydrophobicContact CG-CD2 4.39Å; W121-L149 HydrophobicContact CZ3-CD2 4.27Å; W121-W151 HydrophobicContact CB-CH2 4.28Å; W121-W151 HydrophobicContact CB-CZ2 4.07Å; W121-L168 HydrophobicContact CB-CD1 4.06Å; W121-H169 VanDerWaalsContact CA-O 3.3Å; W121-H169 WeakPolarHBondContact CA-O 3.47Å; W121-S247 PolarHBondContact NE1-OG 3.12Å
122E93.6Very high89.8Confident17 Ų1756 Ų568%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-126.7139.8176.9-69.7175.3-174.600107.8T134 H169 V171 R173 R187E122-T134 HydrophobicContact CB-CG2 3.9Å; E122-T134 HydrophobicContact CG-CG2 4.44Å; E122-H169 PolarHBondContact N-O 3.44Å; E122-H169 PolarHBondContact O-N 3.41Å; E122-V171 HydrophobicContact CB-CG2 3.86Å; E122-V171 HydrophobicContact CG-CG2 3.71Å; E122-R173 IonicContact OE1-NH2 3.57Å; E122-R173 PolarHBondContact OE1-NH2 2.72Å; E122-R187 IonicContact OE2-CZ 2.73Å; E122-R187 VanDerWaalsContact OE2-CZ 3.26Å; E122-R187 IonicContact OE2-NE 3.19Å; E122-R187 PolarHBondContact OE2-NE 2.6Å; E122-R187 IonicContact OE2-NH2 2.78Å; E122-R187 PolarHBondContact OE2-NH2 3.22Å
123L94.5Very high89.7Confident0 Ų053.4 Ų53.40%027%0.268CS..EExtended strand (participates in β ladder)trans-109.4121.1178.1177.466.8000108.2V125 T134 L135 W151 L166 Q167 I234 F236L123-V125 HydrophobicContact CD2-CG2 4.24Å; L123-V125 HydrophobicContact CG-CG2 4.12Å; L123-T134 CarbonylContact O-C 3.56Å; L123-T134 WeakPolarHBondContact O-CA 3.43Å; L123-L135 HydrophobicContact CD2-CD1 4.48Å; L123-L135 PolarHBondContact N-O 2.78Å; L123-L135 PolarHBondContact O-N 3.4Å; L123-W151 HydrophobicContact CB-CD2 3.74Å; L123-W151 VanDerWaalsContact CB-CE2 3.43Å; L123-W151 HydrophobicContact CB-CE3 4.38Å; L123-W151 HydrophobicContact CB-CG 4.03Å; L123-W151 HydrophobicContact CB-CH2 4.48Å; L123-W151 HydrophobicContact CB-CZ2 3.84Å; L123-W151 HydrophobicContact CD2-CB 4.14Å; L123-W151 HydrophobicContact CD2-CD2 3.86Å; L123-W151 HydrophobicContact CD2-CE3 4.08Å; L123-W151 HydrophobicContact CD2-CG 3.88Å; L123-W151 HydrophobicContact CG-CD2 4.43Å; L123-L166 HydrophobicContact CD1-CB 4.35Å; L123-L166 HydrophobicContact CD1-CD2 4.49Å; L123-Q167 WeakPolarHBondContact CA-O 3.46Å; L123-I234 HydrophobicContact CD2-CB 4.24Å; L123-I234 HydrophobicContact CD2-CD1 3.86Å; L123-I234 HydrophobicContact CD2-CG2 4.31Å; L123-F236 HydrophobicContact CD1-CE2 3.73Å; L123-F236 HydrophobicContact CD1-CZ 3.93Å; L123-F236 HydrophobicContact CD2-CE2 4.42Å
124T93.2Very high89.7Confident4 Ų456.5 Ų56.53%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-99.3124.9171.7-58.60000108.6E132 S133 T134 Q167T124-E132 HydrophobicContact CG2-CB 4.18Å; T124-E132 HydrophobicContact CG2-CG 4.48Å; T124-S133 CarbonylContact C-O 3.6Å; T124-S133 WeakPolarHBondContact CA-O 3.2Å; T124-T134 PolarHBondContact OG1-OG1 2.85Å; T124-Q167 PolarHBondContact N-O 3.42Å; T124-Q167 PolarHBondContact O-N 3.48Å
125V93.3Very high89.6Confident1 Ų157.1 Ų57.11%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-110.3124.9177.5-174.30000107.3L123 E132 S133 L135 L157 P158 I163 L166L123-V125 HydrophobicContact CD2-CG2 4.24Å; L123-V125 HydrophobicContact CG-CG2 4.12Å; V125-E132 CarbonylContact O-C 3.59Å; V125-E132 WeakPolarHBondContact O-CA 3.45Å; V125-S133 PolarHBondContact N-O 2.77Å; V125-S133 PolarHBondContact O-N 3.04Å; V125-L135 HydrophobicContact CG2-CD1 3.82Å; V125-L135 HydrophobicContact CG2-CG 4.48Å; V125-L157 HydrophobicContact CG2-CD2 3.9Å; V125-P158 HydrophobicContact CG1-CG 3.91Å; V125-I163 HydrophobicContact CG1-CG1 4.14Å; V125-I163 HydrophobicContact CG1-CG2 3.91Å; V125-L166 HydrophobicContact CB-CD2 4.26Å; V125-L166 HydrophobicContact CG1-CD2 3.97Å; V125-L166 HydrophobicContact CG2-CD2 3.76Å
126T93Very high89.5Confident10 Ų1057.2 Ų57.26%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-107.1127.3174.4-45.80000108.3R131 E132 F164 S165T126-R131 WeakPolarHBondContact CA-O 3.25Å; T126-E132 HydrophobicContact CG2-CG 3.97Å; T126-F164 HydrophobicContact CG2-CD1 4.45Å; T126-F164 WeakPolarHBondContact O-CA 3.37Å; T126-F164 WeakPolarHBondContact O-CB 3.22Å; T126-F164 PolarHBondContact O-N 3.47Å; T126-S165 VanDerWaalsContact CB-OG 3.24Å; T126-S165 WeakPolarHBondContact CB-OG 3.49Å; T126-S165 PolarHBondContact N-O 3.07Å; T126-S165 PolarHBondContact O-N 3.46Å; T126-S165 PolarHBondContact OG1-OG 3.12Å; T126-S165 VanDerWaalsContact OG1-OG 3.12Å
127D90.8Very high89.8Confident33 Ų3355.6 Ų55.618%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-83.9169.2175.274.418.5000112.1S129 G130 R131 E162D127-S129 PolarHBondContact O-N 3.36Å; D127-S129 VanDerWaalsContact O-N 3.14Å; D127-S129 VanDerWaalsContact OD1-C 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.48Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 3.22Å; D127-S129 PolarHBondContact OD1-OG 2.87Å; D127-S129 PolarHBondContact OD2-OG 2.79Å; D127-S129 VanDerWaalsContact OD2-OG 3.1Å; D127-G130 PolarHBondContact O-N 3.12Å; D127-G130 PolarHBondContact OD1-N 3.06Å; D127-R131 PolarHBondContact N-O 3Å; D127-R131 PolarHBondContact OD1-N 3.35Å; D127-R131 WeakPolarHBondContact OD2-CB 3.39Å; D127-E162 CarbonylContact C-O 3.56Å; D127-E162 WeakPolarHBondContact CA-O 3.37Å
128M88.9Confident90.4Very high107 Ų10757.8 Ų57.853%0.52730%0.304SS..THydrogen-bonded Turntrans-62.3-16.2177-69.4-65-68.100113.9G130 E162 F164M128-G130 VanDerWaalsContact C-N 3.32Å; M128-E162 WeakPolarHBondContact CG-O 3.5Å; M128-E162 PolarHBondContact N-O 2.87Å; M128-F164 HydrophobicContact SD-CB 3.89Å; M128-F164 HydrophobicContact SD-CD2 3.76Å; M128-F164 HydrophobicContact SD-CG 4.32Å
129S87.2Confident90.8Very high84 Ų8454 Ų5459%0.58729%0.29SS*.THydrogen-bonded Turntrans-87.4-2.1173.781.30000113.2D127 R131D127-S129 PolarHBondContact O-N 3.36Å; D127-S129 VanDerWaalsContact O-N 3.14Å; D127-S129 VanDerWaalsContact OD1-C 3.28Å; D127-S129 WeakPolarHBondContact OD1-CA 3.48Å; D127-S129 VanDerWaalsContact OD1-CB 3.31Å; D127-S129 WeakPolarHBondContact OD1-CB 3.33Å; D127-S129 PolarHBondContact OD1-N 3.22Å; D127-S129 PolarHBondContact OD1-OG 2.87Å; D127-S129 PolarHBondContact OD2-OG 2.79Å; D127-S129 VanDerWaalsContact OD2-OG 3.1Å; S129-R131 WeakPolarHBondContact OG-CD 3.21Å; S129-R131 WeakPolarHBondContact OG-CG 3.34Å
130G86.6Confident91Very high54 Ų5455.8 Ų55.856%0.55730%0.303SS*.SBendtrans80.712.3-177.500000114D127 M128D127-G130 PolarHBondContact O-N 3.12Å; D127-G130 PolarHBondContact OD1-N 3.06Å; M128-G130 VanDerWaalsContact C-N 3.32Å
131R88Confident91.1Very high187 Ų18758.7 Ų58.771%0.70631%0.309SS*.  trans-81.1131.8173.8-61.7170.5179.6-171.71.4109.3T126 D127 S129T126-R131 WeakPolarHBondContact CA-O 3.25Å; D127-R131 PolarHBondContact N-O 3Å; D127-R131 PolarHBondContact OD1-N 3.35Å; D127-R131 WeakPolarHBondContact OD2-CB 3.39Å; S129-R131 WeakPolarHBondContact OG-CD 3.21Å; S129-R131 WeakPolarHBondContact OG-CG 3.34Å
132E91.1Very high91.1Very high132 Ų13259.7 Ų59.762%0.61731%0.313SS*.EExtended strand (participates in β ladder)trans-102.1132.6177.6-64.6-175.5170.300110.6T124 V125 T126T124-E132 HydrophobicContact CG2-CB 4.18Å; T124-E132 HydrophobicContact CG2-CG 4.48Å; V125-E132 CarbonylContact O-C 3.59Å; V125-E132 WeakPolarHBondContact O-CA 3.45Å; T126-E132 HydrophobicContact CG2-CG 3.97Å
133S88.7Confident91.1Very high43 Ų4360.1 Ų60.130%0.30132%0.318SS..EExtended strand (participates in β ladder)trans-122.4127169.765.70000109.9T124 V125T124-S133 CarbonylContact C-O 3.6Å; T124-S133 WeakPolarHBondContact CA-O 3.2Å; V125-S133 PolarHBondContact N-O 2.77Å; V125-S133 PolarHBondContact O-N 3.04Å
134T89.4Confident90.9Very high66 Ų6663.9 Ų63.941%0.40534%0.335SS..EExtended strand (participates in β ladder)trans-95.7126.1172.6-54.40000109.7E122 L123 T124E122-T134 HydrophobicContact CB-CG2 3.9Å; E122-T134 HydrophobicContact CG-CG2 4.44Å; L123-T134 CarbonylContact O-C 3.56Å; L123-T134 WeakPolarHBondContact O-CA 3.43Å; T124-T134 PolarHBondContact OG1-OG1 2.85Å
135L89.9Confident90.9Very high14 Ų1463.7 Ų63.77%0.07333%0.334CS..EExtended strand (participates in β ladder)trans-105.8135.7-178.5-57175.3000110.9L123 V125 W151 R156 L157L123-L135 HydrophobicContact CD2-CD1 4.48Å; L123-L135 PolarHBondContact N-O 2.78Å; L123-L135 PolarHBondContact O-N 3.4Å; V125-L135 HydrophobicContact CG2-CD1 3.82Å; V125-L135 HydrophobicContact CG2-CG 4.48Å; L135-W151 PolarHBondContact O-NE1 3.04Å; L135-R156 HydrophobicContact CD2-CB 3.91Å; L135-L157 HydrophobicContact CD1-CD2 3.3Å; L135-L157 HydrophobicContact CD1-CG 3.84Å
136E86.9Confident91Very high146 Ų14663.6 Ų63.668%0.68233%0.334SS*.EExtended strand (participates in β ladder)trans-77.7141172.5-64.4-166.215000110.5S138E136-S138 PolarHBondContact O-N 3.28Å
137L92Very high91.2Very high43 Ų4363.1 Ų63.123%0.22533%0.331CS..  trans-61126.8178-17871.5000111.1W121 W139 L149 W151W121-L137 HydrophobicContact CE3-CD2 4.33Å; L137-W139 WeakPolarHBondContact CD1-O 3.44Å; L137-L149 HydrophobicContact CD1-CB 3.83Å; L137-L149 HydrophobicContact CD1-CD2 4.01Å; L137-L149 HydrophobicContact CD1-CG 4.47Å; L137-L149 HydrophobicContact CD2-CD2 4.08Å; L137-W151 HydrophobicContact CB-CZ2 4.42Å; L137-W151 HydrophobicContact CD1-CD2 4.15Å; L137-W151 HydrophobicContact CD1-CE3 4.35Å; L137-W151 HydrophobicContact CD1-CH2 3.82Å; L137-W151 HydrophobicContact CD1-CZ2 3.6Å; L137-W151 HydrophobicContact CD1-CZ3 4.2Å
138S92.3Very high91.5Very high60 Ų6061.6 Ų61.642%0.4232%0.323SS..  trans-77.1-46.7177.9-52.10000111.4E136 C150 C152E136-S138 PolarHBondContact O-N 3.28Å; S138-C150 WeakPolarHBondContact CB-O 3.18Å; S138-C150 PolarHBondContact N-O 2.73Å; S138-C152 PolarHBondContact OG-N 3.23Å
139W92.9Very high91.8Very high66 Ų6656.5 Ų56.525%0.2530%0.298CS..EExtended strand (participates in β ladder)trans-156159.1172.657-97.9000111.7L137 R141 T148 C150 I235 T286L137-W139 WeakPolarHBondContact CD1-O 3.44Å; W139-R141 HydrophobicContact CE3-CB 4.37Å; W139-R141 HydrophobicContact CZ3-CB 4.12Å; W139-T148 HydrophobicContact CH2-CG2 3.77Å; W139-T148 HydrophobicContact CZ3-CG2 3.81Å; W139-C150 HydrophobicContact CD2-CB 3.61Å; W139-C150 HydrophobicContact CE3-CB 4.14Å; W139-C150 HydrophobicContact CG-CB 4.14Å; W139-C150 HydrophobicContact CH2-CB 3.82Å; W139-C150 HydrophobicContact CZ2-CB 3.26Å; W139-C150 HydrophobicContact CZ3-CB 4.23Å; W139-C150 PolarHBondContact N-O 2.93Å; W139-C150 PolarHBondContact O-N 3.34Å; W139-I235 HydrophobicContact CZ2-CD1 4.48Å; W139-T286 HydrophobicContact CH2-CG2 3.82Å; W139-T286 HydrophobicContact CZ2-CG2 4.34Å
140S94.3Very high92.2Very high49 Ų4952.6 Ų52.634%0.34327%0.271SS..EExtended strand (participates in β ladder)trans-130.414817046.40000110.7T148S140-T148 CarbonylContact C-O 3.56Å; S140-T148 VanDerWaalsContact CA-O 3.3Å; S140-T148 WeakPolarHBondContact CA-O 3.35Å
141R93.8Very high92.6Very high109 Ų10950.1 Ų50.141%0.41124%0.244SC..EExtended strand (participates in β ladder)trans-137.3126.8174.3-174.2157-75.5155.3-2.7110.5W139 L147 T148 T286 V287W139-R141 HydrophobicContact CE3-CB 4.37Å; W139-R141 HydrophobicContact CZ3-CB 4.12Å; R141-L147 WeakPolarHBondContact O-CD1 3.35Å; R141-T148 PolarHBondContact N-O 2.86Å; R141-T148 PolarHBondContact O-N 3.32Å; R141-T286 WeakPolarHBondContact CD-O 3.39Å; R141-T286 PolarHBondContact NH1-O 2.84Å; R141-V287 VanDerWaalsContact NH1-CA 3.3Å
142F93.5Very high92.6Very high29 Ų2942.6 Ų42.613%0.12722%0.22CC..EExtended strand (participates in β ladder)trans-87.9132.4172.5-66.1-89.1000109E111 L114 W121 L147 F240E111-F142 HydrophobicContact CB-CB 4.39Å; E111-F142 HydrophobicContact CB-CD1 3.7Å; E111-F142 HydrophobicContact CB-CE1 4.09Å; E111-F142 HydrophobicContact CB-CG 3.97Å; E111-F142 VanDerWaalsContact CD-CB 3.44Å; E111-F142 HydrophobicContact CG-CB 4.08Å; E111-F142 HydrophobicContact CG-CD1 3.69Å; E111-F142 HydrophobicContact CG-CD2 3.68Å; E111-F142 HydrophobicContact CG-CE1 4Å; E111-F142 HydrophobicContact CG-CE2 3.98Å; E111-F142 HydrophobicContact CG-CG 3.52Å; E111-F142 HydrophobicContact CG-CZ 4.14Å; E111-F142 WeakPolarHBondContact OE1-CD2 3.44Å; E111-F142 VanDerWaalsContact OE2-CB 3.3Å; E111-F142 WeakPolarHBondContact OE2-CB 3.24Å; L114-F142 HydrophobicContact CD1-CE1 3.79Å; L114-F142 HydrophobicContact CD1-CZ 4.39Å; W121-F142 HydrophobicContact CH2-CZ 4.16Å; W121-F142 HydrophobicContact CZ3-CZ 4.47Å; F142-L147 HydrophobicContact CD1-CB 4.44Å; F142-L147 HydrophobicContact CD1-CD1 3.86Å; F142-L147 HydrophobicContact CD2-CD1 4.25Å; F142-L147 HydrophobicContact CE1-CB 4.49Å; F142-L147 HydrophobicContact CE1-CD1 3.71Å; F142-L147 HydrophobicContact CE1-CD2 4.17Å; F142-L147 HydrophobicContact CE1-CG 4.34Å; F142-L147 HydrophobicContact CE2-CD1 4.12Å; F142-L147 HydrophobicContact CG-CD1 4.13Å; F142-L147 HydrophobicContact CZ-CD1 3.85Å; F142-L147 HydrophobicContact CZ-CD2 4.48Å; F142-F240 HydrophobicContact CB-CZ 4.38Å; F142-F240 AromaticContact CD1-CE1 3.87Å; F142-F240 HydrophobicContact CD1-CE1 3.87Å; F142-F240 AromaticContact CD1-CZ 3.78Å; F142-F240 HydrophobicContact CD1-CZ 3.78Å
143S92.1Very high91.6Very high26 Ų2636.5 Ų36.518%0.18219%0.192CC..  trans-106.4-177.2166.6-66.60000108.7T145 S146 F240 H284S143-T145 PolarHBondContact O-N 2.95Å; S143-S146 WeakPolarHBondContact CA-O 3.49Å; S143-S146 WeakPolarHBondContact CB-O 3.05Å; S143-S146 PolarHBondContact N-O 2.74Å; S143-F240 WeakPolarHBondContact O-CE2 3.43Å; S143-F240 WeakPolarHBondContact O-CZ 3.24Å; S143-H284 PolarHBondContact OG-CE1 3.34Å; S143-H284 VanDerWaalsContact OG-CE1 3.31Å; S143-H284 PolarHBondContact OG-ND1 2.96Å
144E90.7Very high90.8Very high78 Ų7835.6 Ų35.636%0.36419%0.19SC..SBendtrans-62.8-39.5-178-172.9167.6171.400113.3F240 H280 V282 K289 S292E144-F240 WeakPolarHBondContact O-CE2 3.48Å; E144-H280 IonicContact OE1-CE1 3.76Å; E144-H280 IonicContact OE1-NE2 2.86Å; E144-V282 HydrophobicContact CB-CG2 4.31Å; E144-K289 IonicContact OE2-NZ 3.26Å; E144-K289 PolarHBondContact OE2-NZ 2.88Å; E144-S292 VanDerWaalsContact CD-OG 3.28Å; E144-S292 PolarHBondContact OE1-OG 3.34Å; E144-S292 WeakPolarHBondContact OE2-CB 3.36Å; E144-S292 PolarHBondContact OE2-OG 2.8Å
145T93.8Very high89.6Confident0 Ų040.8 Ų40.80%022%0.216CC..SBendtrans-125.41-177.6570000114.2T104 L106 S143 H239 F240 V282 S350T104-T145 HydrophobicContact CG2-CG2 3.98Å; L106-T145 HydrophobicContact CD1-CG2 3.76Å; S143-T145 PolarHBondContact O-N 2.95Å; T145-H239 PolarHBondContact O-CD2 3.39Å; T145-F240 WeakPolarHBondContact O-CB 3.05Å; T145-F240 PolarHBondContact O-N 3.14Å; T145-V282 HydrophobicContact CG2-CG2 4.35Å; T145-S350 WeakPolarHBondContact OG1-CB 3.47Å
146S95.8Very high88.7Confident0 Ų049.4 Ų49.40%025%0.247CC..EExtended strand (participates in β ladder)trans-147.1161.9-172.866.90000113.6S143 L238 F240 H284 S350S143-S146 WeakPolarHBondContact CA-O 3.49Å; S143-S146 WeakPolarHBondContact CB-O 3.05Å; S143-S146 PolarHBondContact N-O 2.74Å; S146-L238 CarbonylContact C-O 3.55Å; S146-L238 WeakPolarHBondContact CA-O 3.14Å; S146-F240 WeakPolarHBondContact O-CE1 3.26Å; S146-F240 WeakPolarHBondContact O-CZ 3.37Å; S146-H284 PolarHBondContact OG-NE2 2.89Å; S146-H284 VanDerWaalsContact OG-NE2 3.12Å; S146-S350 WeakPolarHBondContact CB-OG 3.31Å; S146-S350 PolarHBondContact OG-OG 3.25Å; S146-S350 VanDerWaalsContact OG-OG 3.06Å
147L96.3Very high88.4Confident0 Ų043.2 Ų43.20%022%0.219CC..EExtended strand (participates in β ladder)trans-121.7121.4176.5169.361.6000108.8W121 R141 F142 L149 T237 L238 F240 L243W121-L147 HydrophobicContact CD2-CD2 4.28Å; W121-L147 HydrophobicContact CE3-CD2 4.26Å; W121-L147 HydrophobicContact CH2-CD2 3.34Å; W121-L147 HydrophobicContact CZ2-CD2 3.32Å; W121-L147 HydrophobicContact CZ3-CD2 3.83Å; R141-L147 WeakPolarHBondContact O-CD1 3.35Å; F142-L147 HydrophobicContact CD1-CB 4.44Å; F142-L147 HydrophobicContact CD1-CD1 3.86Å; F142-L147 HydrophobicContact CD2-CD1 4.25Å; F142-L147 HydrophobicContact CE1-CB 4.49Å; F142-L147 HydrophobicContact CE1-CD1 3.71Å; F142-L147 HydrophobicContact CE1-CD2 4.17Å; F142-L147 HydrophobicContact CE1-CG 4.34Å; F142-L147 HydrophobicContact CE2-CD1 4.12Å; F142-L147 HydrophobicContact CG-CD1 4.13Å; F142-L147 HydrophobicContact CZ-CD1 3.85Å; F142-L147 HydrophobicContact CZ-CD2 4.48Å; L147-L149 HydrophobicContact CD1-CD2 3.83Å; L147-L149 HydrophobicContact CD2-CD1 4.37Å; L147-L149 HydrophobicContact CD2-CD2 3.88Å; L147-L149 HydrophobicContact CD2-CG 4.22Å; L147-L149 HydrophobicContact CG-CD2 3.76Å; L147-L149 HydrophobicContact CG-CG 3.99Å; L147-T237 CarbonylContact O-C 3.56Å; L147-T237 WeakPolarHBondContact O-CA 3.34Å; L147-L238 PolarHBondContact N-O 2.8Å; L147-L238 PolarHBondContact O-N 3.4Å; L147-F240 HydrophobicContact CB-CE1 4.02Å; L147-L243 HydrophobicContact CB-CD2 3.98Å; L147-L243 HydrophobicContact CD2-CD2 3.91Å
148T96.9Very high87.8Confident1 Ų142.3 Ų42.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-98.2127.8172.2-54.90000110W139 S140 R141 I235 F236 I348W139-T148 HydrophobicContact CH2-CG2 3.77Å; W139-T148 HydrophobicContact CZ3-CG2 3.81Å; S140-T148 CarbonylContact C-O 3.56Å; S140-T148 VanDerWaalsContact CA-O 3.3Å; S140-T148 WeakPolarHBondContact CA-O 3.35Å; R141-T148 PolarHBondContact N-O 2.86Å; R141-T148 PolarHBondContact O-N 3.32Å; T148-I235 HydrophobicContact CG2-CG2 3.6Å; T148-F236 CarbonylContact C-O 3.44Å; T148-F236 WeakPolarHBondContact CA-O 3.3Å; T148-I348 HydrophobicContact CG2-CD1 4.28Å
149L96.4Very high87.6Confident0 Ų042.6 Ų42.60%021%0.212CC..EExtended strand (participates in β ladder)trans-120.4137.1-180-58.3177000108.7W121 L137 L147 W151 L168 I235 F236 L238W121-L149 HydrophobicContact CB-CD1 3.84Å; W121-L149 HydrophobicContact CD2-CD1 3.84Å; W121-L149 HydrophobicContact CD2-CD2 4Å; W121-L149 HydrophobicContact CE3-CD1 4.41Å; W121-L149 HydrophobicContact CE3-CD2 3.7Å; W121-L149 HydrophobicContact CG-CD1 3.54Å; W121-L149 HydrophobicContact CG-CD2 4.39Å; W121-L149 HydrophobicContact CZ3-CD2 4.27Å; L137-L149 HydrophobicContact CD1-CB 3.83Å; L137-L149 HydrophobicContact CD1-CD2 4.01Å; L137-L149 HydrophobicContact CD1-CG 4.47Å; L137-L149 HydrophobicContact CD2-CD2 4.08Å; L147-L149 HydrophobicContact CD1-CD2 3.83Å; L147-L149 HydrophobicContact CD2-CD1 4.37Å; L147-L149 HydrophobicContact CD2-CD2 3.88Å; L147-L149 HydrophobicContact CD2-CG 4.22Å; L147-L149 HydrophobicContact CG-CD2 3.76Å; L147-L149 HydrophobicContact CG-CG 3.99Å; L149-W151 HydrophobicContact CB-CE3 4.44Å; L149-W151 HydrophobicContact CB-CH2 3.58Å; L149-W151 HydrophobicContact CB-CZ3 3.46Å; L149-W151 VanDerWaalsContact CB-CZ3 3.46Å; L149-W151 HydrophobicContact CD1-CH2 3.79Å; L149-W151 HydrophobicContact CD1-CZ3 4.4Å; L149-W151 HydrophobicContact CG-CH2 4.28Å; L149-L168 HydrophobicContact CD1-CD1 4.32Å; L149-L168 HydrophobicContact CD1-CD2 4.3Å; L149-I235 CarbonylContact O-C 3.6Å; L149-I235 VanDerWaalsContact O-CA 3.23Å; L149-I235 WeakPolarHBondContact O-CA 3.28Å; L149-F236 HydrophobicContact CB-CB 4.33Å; L149-F236 PolarHBondContact N-O 2.84Å; L149-F236 PolarHBondContact O-N 3.14Å; L149-L238 HydrophobicContact CD1-CD1 3.82Å
150C95.3Very high87.4Confident2 Ų240 Ų401%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-132.2135.6179.3-173.30000112S138 W139 I234 I235S138-C150 WeakPolarHBondContact CB-O 3.18Å; S138-C150 PolarHBondContact N-O 2.73Å; W139-C150 HydrophobicContact CD2-CB 3.61Å; W139-C150 HydrophobicContact CE3-CB 4.14Å; W139-C150 HydrophobicContact CG-CB 4.14Å; W139-C150 HydrophobicContact CH2-CB 3.82Å; W139-C150 HydrophobicContact CZ2-CB 3.26Å; W139-C150 HydrophobicContact CZ3-CB 4.23Å; W139-C150 PolarHBondContact N-O 2.93Å; W139-C150 PolarHBondContact O-N 3.34Å; C150-I234 WeakPolarHBondContact CA-O 3.36Å; C150-I235 HydrophobicContact CB-CG1 3.89Å
151W94.3Very high87Confident1 Ų145.7 Ų45.70%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-116.4116.5168.6-68.2-97.4000108.7W121 L123 L135 L137 L149 L168 F233 I234 F236W121-W151 HydrophobicContact CB-CH2 4.28Å; W121-W151 HydrophobicContact CB-CZ2 4.07Å; L123-W151 HydrophobicContact CB-CD2 3.74Å; L123-W151 VanDerWaalsContact CB-CE2 3.43Å; L123-W151 HydrophobicContact CB-CE3 4.38Å; L123-W151 HydrophobicContact CB-CG 4.03Å; L123-W151 HydrophobicContact CB-CH2 4.48Å; L123-W151 HydrophobicContact CB-CZ2 3.84Å; L123-W151 HydrophobicContact CD2-CB 4.14Å; L123-W151 HydrophobicContact CD2-CD2 3.86Å; L123-W151 HydrophobicContact CD2-CE3 4.08Å; L123-W151 HydrophobicContact CD2-CG 3.88Å; L123-W151 HydrophobicContact CG-CD2 4.43Å; L135-W151 PolarHBondContact O-NE1 3.04Å; L137-W151 HydrophobicContact CB-CZ2 4.42Å; L137-W151 HydrophobicContact CD1-CD2 4.15Å; L137-W151 HydrophobicContact CD1-CE3 4.35Å; L137-W151 HydrophobicContact CD1-CH2 3.82Å; L137-W151 HydrophobicContact CD1-CZ2 3.6Å; L137-W151 HydrophobicContact CD1-CZ3 4.2Å; L149-W151 HydrophobicContact CB-CE3 4.44Å; L149-W151 HydrophobicContact CB-CH2 3.58Å; L149-W151 HydrophobicContact CB-CZ3 3.46Å; L149-W151 VanDerWaalsContact CB-CZ3 3.46Å; L149-W151 HydrophobicContact CD1-CH2 3.79Å; L149-W151 HydrophobicContact CD1-CZ3 4.4Å; L149-W151 HydrophobicContact CG-CH2 4.28Å; W151-L168 HydrophobicContact CH2-CD1 3.34Å; W151-L168 HydrophobicContact CZ2-CD1 3.79Å; W151-L168 HydrophobicContact CZ3-CD1 4.29Å; W151-F233 CarbonylContact O-C 3.55Å; W151-F233 WeakPolarHBondContact O-CA 3.31Å; W151-F233 WeakPolarHBondContact O-CB 3.43Å; W151-I234 PolarHBondContact N-O 2.94Å; W151-I234 PolarHBondContact O-N 2.79Å; W151-F236 HydrophobicContact CE3-CD2 4.14Å; W151-F236 HydrophobicContact CH2-CD2 4.44Å; W151-F236 HydrophobicContact CZ3-CB 4.27Å; W151-F236 AromaticContact CZ3-CD2 3.58Å; W151-F236 HydrophobicContact CZ3-CD2 3.58Å; W151-F236 HydrophobicContact CZ3-CE2 4.3Å; W151-F236 HydrophobicContact CZ3-CG 4.23Å
152C89.5Confident86.8Confident30 Ų3044.8 Ų44.820%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-86131.5174-63.70000109.3S138 Q335 C336S138-C152 PolarHBondContact OG-N 3.23Å; C152-Q335 PolarHBondContact SG-O 2.98Å; C152-C336 HydrophobicContact CB-CB 4.3Å; C152-C336 VanDerWaalsContact CB-SG 3.58Å
153G70Confident86.7Confident3 Ų343.7 Ų43.73%0.03122%0.219CC..  trans-77.5-38.8-162.200000116.1D155 R156 L157 A232G153-D155 PolarHBondContact O-N 3.15Å; G153-R156 PolarHBondContact O-N 3.08Å; G153-L157 PolarHBondContact O-N 3.33Å; G153-L157 VanDerWaalsContact O-N 3.17Å; G153-A232 PolarHBondContact N-O 2.77Å
154G70.2Confident86.7Confident25 Ų2546.6 Ų46.626%0.25823%0.229SC..G310 helixtrans39.1-141.8-169.200000112.4R156 E337G154-R156 PolarHBondContact O-N 2.83Å; G154-E337 WeakPolarHBondContact CA-OE1 3.49Å
155D65.6Low86.9Confident175 Ų17543.4 Ų43.494%0.93622%0.215SC*.G310 helixtrans-78.95.2174.7-58.5-35.6000114.1G153G153-D155 PolarHBondContact O-N 3.15Å
156R70.8Confident86.9Confident194 Ų19443.4 Ų43.473%0.73222%0.215SC*.G310 helixtrans-104-15.6-169.2-62.6-174.2-177.6-176.13114.1L135 G153 G154L135-R156 HydrophobicContact CD2-CB 3.91Å; G153-R156 PolarHBondContact O-N 3.08Å; G154-R156 PolarHBondContact O-N 2.83Å
157L79.8Confident86.9Confident16 Ų1645.1 Ų45.18%0.08422%0.223CC..SBendtrans-90.5129.9173.8-81.2175.9000110.3V125 L135 G153 V231 I234V125-L157 HydrophobicContact CG2-CD2 3.9Å; L135-L157 HydrophobicContact CD1-CD2 3.3Å; L135-L157 HydrophobicContact CD1-CG 3.84Å; G153-L157 PolarHBondContact O-N 3.33Å; G153-L157 VanDerWaalsContact O-N 3.17Å; L157-V231 HydrophobicContact CB-CB 4.06Å; L157-V231 HydrophobicContact CB-CG1 4.48Å; L157-V231 HydrophobicContact CD1-CB 4.01Å; L157-V231 HydrophobicContact CD1-CG1 3.49Å; L157-V231 VanDerWaalsContact CD1-CG1 3.49Å; L157-V231 HydrophobicContact CG-CG1 4.49Å; L157-I234 HydrophobicContact CD1-CD1 4.11Å; L157-I234 HydrophobicContact CD1-CG1 4.22Å; L157-I234 HydrophobicContact CD2-CD1 3.84Å
158P80.3Confident86.9Confident25 Ų2545.1 Ų45.116%0.16222%0.223CC..PPolyproline II helixtrans-68169.9172.932.4-37.2000110.8V125 E162 I163V125-P158 HydrophobicContact CG1-CG 3.91Å; P158-E162 HydrophobicContact CB-CB 4.2Å; P158-I163 HydrophobicContact CG-CG1 3.73Å
159N87.6Confident86.8Confident65 Ų6545 Ų4535%0.34822%0.223SC..BIsolated β-bridgetrans-62.6153175.2-68.5-46.2000110.9E161 E162 I163 S230N159-E161 PolarHBondContact O-N 2.97Å; N159-E161 VanDerWaalsContact O-N 3.14Å; N159-E162 HydrophobicContact CB-CB 4.47Å; N159-E162 HydrophobicContact CB-CG 4.12Å; N159-E162 PolarHBondContact N-OE2 3.02Å; N159-E162 PolarHBondContact ND2-OE1 2.91Å; N159-E162 WeakPolarHBondContact O-CB 3.34Å; N159-E162 PolarHBondContact O-N 3.01Å; N159-I163 PolarHBondContact O-N 2.83Å; N159-S230 WeakPolarHBondContact OD1-CB 3.46Å
160Y88.2Confident86.6Confident11 Ų1145 Ų454%0.04322%0.223CC..G310 helixtrans-53.5-39.2-178.2179-121.5000113.4E162 M195 T199 A202 K214 L216 I222 L224Y160-E162 VanDerWaalsContact C-N 3.29Å; Y160-E162 PolarHBondContact O-N 3.2Å; Y160-M195 HydrophobicContact CD2-CE 4.24Å; Y160-M195 HydrophobicContact CE2-CE 3.66Å; Y160-T199 HydrophobicContact CD1-CG2 4.44Å; Y160-T199 HydrophobicContact CE1-CG2 3.7Å; Y160-T199 WeakPolarHBondContact OH-CA 3.41Å; Y160-A202 WeakPolarHBondContact OH-CB 3.41Å; Y160-K214 HydrophobicContact CE1-CD 4.3Å; Y160-L216 HydrophobicContact CE2-CD2 3.88Å; Y160-L216 WeakPolarHBondContact OH-CD2 3.34Å; Y160-I222 HydrophobicContact CD2-CD1 3.68Å; Y160-I222 HydrophobicContact CD2-CG2 4.35Å; Y160-I222 HydrophobicContact CE2-CD1 4.08Å; Y160-I222 HydrophobicContact CE2-CG2 3.96Å; Y160-L224 HydrophobicContact CD1-CD1 4.11Å; Y160-L224 HydrophobicContact CD2-CD2 4.16Å; Y160-L224 HydrophobicContact CG-CD1 4.13Å; Y160-L224 HydrophobicContact CG-CD2 4Å
161E87.3Confident86.3Confident169 Ų16945 Ų4579%0.7922%0.222SC*.G310 helixtrans-75.5-17.9-179.1-59.1-176.7172.400113.4N159N159-E161 PolarHBondContact O-N 2.97Å; N159-E161 VanDerWaalsContact O-N 3.14Å
162E89Confident85.7Confident91 Ų9146.1 Ų46.143%0.42523%0.227SC..G310 helixtrans-91.8-9.8-179.3-66.8167.2-166.700112.4D127 M128 P158 N159 Y160 F164D127-E162 CarbonylContact C-O 3.56Å; D127-E162 WeakPolarHBondContact CA-O 3.37Å; M128-E162 WeakPolarHBondContact CG-O 3.5Å; M128-E162 PolarHBondContact N-O 2.87Å; P158-E162 HydrophobicContact CB-CB 4.2Å; N159-E162 HydrophobicContact CB-CB 4.47Å; N159-E162 HydrophobicContact CB-CG 4.12Å; N159-E162 PolarHBondContact N-OE2 3.02Å; N159-E162 PolarHBondContact ND2-OE1 2.91Å; N159-E162 WeakPolarHBondContact O-CB 3.34Å; N159-E162 PolarHBondContact O-N 3.01Å; Y160-E162 VanDerWaalsContact C-N 3.29Å; Y160-E162 PolarHBondContact O-N 3.2Å; E162-F164 PolarHBondContact O-N 3.42Å
163I91.1Very high84.8Confident5 Ų548.9 Ų48.93%0.02623%0.233CC..EExtended strand (participates in β ladder)trans-77.5119.3178-57.4167.8000109.1V125 P158 N159 L166 M195 I222 V231V125-I163 HydrophobicContact CG1-CG1 4.14Å; V125-I163 HydrophobicContact CG1-CG2 3.91Å; P158-I163 HydrophobicContact CG-CG1 3.73Å; N159-I163 PolarHBondContact O-N 2.83Å; I163-L166 HydrophobicContact CG2-CD2 3.84Å; I163-L166 HydrophobicContact CG2-CG 4.08Å; I163-M195 HydrophobicContact CB-CG 4.24Å; I163-M195 HydrophobicContact CG2-CB 4.45Å; I163-M195 HydrophobicContact CG2-CG 3.61Å; I163-M195 VanDerWaalsContact O-CB 3.23Å; I163-M195 WeakPolarHBondContact O-CB 3.5Å; I163-I222 HydrophobicContact CD1-CD1 4.29Å; I163-V231 HydrophobicContact CD1-CG2 3.92Å
164F92.3Very high84.3Confident87 Ų8750.9 Ų50.938%0.38224%0.242SC..EExtended strand (participates in β ladder)trans-87.1-46.3173.2177.9-102.4000112T126 M128 E162 M195T126-F164 HydrophobicContact CG2-CD1 4.45Å; T126-F164 WeakPolarHBondContact O-CA 3.37Å; T126-F164 WeakPolarHBondContact O-CB 3.22Å; T126-F164 PolarHBondContact O-N 3.47Å; M128-F164 HydrophobicContact SD-CB 3.89Å; M128-F164 HydrophobicContact SD-CD2 3.76Å; M128-F164 HydrophobicContact SD-CG 4.32Å; E162-F164 PolarHBondContact O-N 3.42Å; F164-M195 WeakPolarHBondContact O-CB 3.25Å; F164-M195 PolarHBondContact O-N 3.24Å
165S94.4Very high83.1Confident11 Ų1152 Ų528%0.07725%0.249CC..EExtended strand (participates in β ladder)trans-148.7152.2-18063.20000113.7T126 L193T126-S165 VanDerWaalsContact CB-OG 3.24Å; T126-S165 WeakPolarHBondContact CB-OG 3.49Å; T126-S165 PolarHBondContact N-O 3.07Å; T126-S165 PolarHBondContact O-N 3.46Å; T126-S165 PolarHBondContact OG1-OG 3.12Å; T126-S165 VanDerWaalsContact OG1-OG 3.12Å; S165-L193 CarbonylContact C-O 3.6Å; S165-L193 WeakPolarHBondContact CA-O 3.29Å; S165-L193 VanDerWaalsContact CB-O 3.24Å; S165-L193 WeakPolarHBondContact CB-O 3.48Å
166L94.8Very high82.3Confident0 Ų047.4 Ų47.40%022%0.221CC..EExtended strand (participates in β ladder)trans-119.9123.5172.2-61174.2000110.1L123 V125 I163 L193 M195 L216 I234L123-L166 HydrophobicContact CD1-CB 4.35Å; L123-L166 HydrophobicContact CD1-CD2 4.49Å; V125-L166 HydrophobicContact CB-CD2 4.26Å; V125-L166 HydrophobicContact CG1-CD2 3.97Å; V125-L166 HydrophobicContact CG2-CD2 3.76Å; I163-L166 HydrophobicContact CG2-CD2 3.84Å; I163-L166 HydrophobicContact CG2-CG 4.08Å; L166-L193 HydrophobicContact CB-CB 4.18Å; L166-L193 PolarHBondContact N-O 3.15Å; L166-L193 PolarHBondContact O-N 2.66Å; L166-M195 HydrophobicContact CD1-SD 3.74Å; L166-M195 HydrophobicContact CG-CG 4.28Å; L166-M195 HydrophobicContact CG-SD 4.05Å; L166-L216 HydrophobicContact CD1-CD1 4.25Å; L166-I234 HydrophobicContact CD1-CD1 4.3Å; L166-I234 HydrophobicContact CD1-CG2 4.48Å; L166-I234 HydrophobicContact CD2-CD1 3.95Å
167Q95.3Very high80.8Confident36 Ų3642.8 Ų42.817%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-119.7123.2176.8-67.5-179-13.600110.7L123 T124 L189 A191 N192L123-Q167 WeakPolarHBondContact CA-O 3.46Å; T124-Q167 PolarHBondContact N-O 3.42Å; T124-Q167 PolarHBondContact O-N 3.48Å; Q167-L189 HydrophobicContact CB-CD1 4.15Å; Q167-L189 HydrophobicContact CG-CD1 4.39Å; Q167-A191 WeakPolarHBondContact CA-O 3.28Å; Q167-N192 HydrophobicContact CG-CB 4.43Å; Q167-N192 VanDerWaalsContact CG-OD1 3.31Å; Q167-N192 WeakPolarHBondContact CG-OD1 3.43Å
168L96.2Very high78.8Confident0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-99.8122.5175.3177.864000109.7W121 L149 W151 V190 A191 F236 L238W121-L168 HydrophobicContact CB-CD1 4.06Å; L149-L168 HydrophobicContact CD1-CD1 4.32Å; L149-L168 HydrophobicContact CD1-CD2 4.3Å; W151-L168 HydrophobicContact CH2-CD1 3.34Å; W151-L168 HydrophobicContact CZ2-CD1 3.79Å; W151-L168 HydrophobicContact CZ3-CD1 4.29Å; L168-V190 HydrophobicContact CD2-CB 4.14Å; L168-V190 HydrophobicContact CD2-CG1 3.97Å; L168-V190 HydrophobicContact CG-CB 4.11Å; L168-V190 HydrophobicContact CG-CG1 4.49Å; L168-V190 PolarHBondContact O-N 3.19Å; L168-A191 HydrophobicContact CB-CB 4.1Å; L168-A191 PolarHBondContact N-O 3.39Å; L168-A191 PolarHBondContact O-N 2.81Å; L168-F236 HydrophobicContact CB-CD1 4.43Å; L168-F236 HydrophobicContact CB-CE1 4.04Å; L168-F236 HydrophobicContact CB-CZ 4.36Å; L168-F236 HydrophobicContact CD2-CB 4.37Å; L168-F236 HydrophobicContact CD2-CD1 3.71Å; L168-F236 HydrophobicContact CD2-CE1 4.16Å; L168-F236 HydrophobicContact CD2-CG 4.1Å; L168-L238 HydrophobicContact CD2-CD1 3.89Å; L168-L238 HydrophobicContact CD2-CD2 4.06Å; L168-L238 HydrophobicContact CD2-CG 4.47Å
169H94.5Very high76.8Confident0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-112.4130.5175.6-63.990.4000111.3W121 E122 V171 R187 S188 H252W121-H169 VanDerWaalsContact CA-O 3.3Å; W121-H169 WeakPolarHBondContact CA-O 3.47Å; E122-H169 PolarHBondContact N-O 3.44Å; E122-H169 PolarHBondContact O-N 3.41Å; H169-V171 HydrophobicContact CB-CG2 4.27Å; H169-R187 HydrophobicContact CB-CB 4.43Å; H169-S188 CarbonylContact C-O 3.58Å; H169-S188 VanDerWaalsContact CA-O 3.3Å; H169-S188 WeakPolarHBondContact CA-O 3.3Å; H169-H252 PolarHBondContact NE2-O 2.97Å; H169-H252 VanDerWaalsContact NE2-O 3.1Å
170G92.9Very high74.4Confident0 Ų051.8 Ų51.80%029%0.285CS..EExtended strand (participates in β ladder)trans-75.9124.8160.200000108.7R187 S188 S247G170-R187 CarbonylContact O-C 3.51Å; G170-R187 WeakPolarHBondContact O-CA 3.26Å; G170-S188 PolarHBondContact N-O 3.5Å; G170-S188 PolarHBondContact O-N 3.34Å; G170-S247 CarbonylContact C-O 3.6Å
171V88Confident72.1Confident0 Ų056.3 Ų56.30%031%0.309CS..EExtended strand (participates in β ladder)trans-117.7109.4-172.7-175.50000108.8V119 T120 E122 H169 R173 R187V119-V171 WeakPolarHBondContact CA-O 3.47Å; T120-V171 PolarHBondContact N-O 3.21Å; T120-V171 PolarHBondContact O-N 3.27Å; T120-V171 PolarHBondContact OG1-O 2.97Å; E122-V171 HydrophobicContact CB-CG2 3.86Å; E122-V171 HydrophobicContact CG-CG2 3.71Å; H169-V171 HydrophobicContact CB-CG2 4.27Å; V171-R173 HydrophobicContact CG1-CG 4.37Å; V171-R187 HydrophobicContact CG2-CG 4.11Å
172R81.9Confident70.1Confident26 Ų2658.4 Ų58.410%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-90.9108.8175.5-170.8-178.7178.7-144.1-4.6109.3E89 I174 S185 E186E89-R172 VanDerWaalsContact CD-NH2 3.29Å; E89-R172 IonicContact OE1-NH2 3.95Å; E89-R172 PolarHBondContact OE1-NH2 2.86Å; E89-R172 IonicContact OE2-CZ 3.53Å; E89-R172 IonicContact OE2-NH1 3.69Å; E89-R172 IonicContact OE2-NH2 2.81Å; E89-R172 PolarHBondContact OE2-NH2 2.7Å; R172-I174 PolarHBondContact O-N 3.33Å; R172-S185 WeakPolarHBondContact O-CA 3.32Å; R172-E186 HydrophobicContact CB-CB 4.43Å; R172-E186 PolarHBondContact N-O 3.17Å; R172-E186 PolarHBondContact O-N 3.39Å
173R70.5Confident68.3Low88 Ų8858.2 Ų58.233%0.33231%0.313SS..EExtended strand (participates in β ladder)trans-85.698.4174.1-64.8-177.9179.6-166.3-4.1108.3E122 V171 A175 K183E122-R173 IonicContact OE1-NH2 3.57Å; E122-R173 PolarHBondContact OE1-NH2 2.72Å; V171-R173 HydrophobicContact CG1-CG 4.37Å; R173-A175 PolarHBondContact O-N 2.95Å; R173-K183 HydrophobicContact CB-CD 4.4Å
174I59.6Low66.4Low45 Ų4559.3 Ų59.323%0.23132%0.32CS..  trans-63.6115.5178.7-46.5175.9000107.9R172 F176R172-I174 PolarHBondContact O-N 3.33Å; I174-F176 HydrophobicContact CB-CD2 4.11Å; I174-F176 HydrophobicContact CB-CE2 3.78Å; I174-F176 HydrophobicContact CG2-CD2 3.67Å; I174-F176 HydrophobicContact CG2-CE1 4.41Å; I174-F176 HydrophobicContact CG2-CE2 3.1Å; I174-F176 HydrophobicContact CG2-CZ 3.53Å; I174-F176 PolarHBondContact O-N 2.87Å
175A45.4Very low65.1Low47 Ų4757.4 Ų57.439%0.38832%0.318SS..  trans-76.9108.8-178.200000109.4R173R173-A175 PolarHBondContact O-N 2.95Å
176F49.1Very low64.1Low79 Ų7961.2 Ų61.235%0.34634%0.335SS..  trans-128.5159.5164-61.4-76.9000109.1Y19 I174 C178Y19-F176 VanDerWaalsContact CB-CG 3.47Å; Y19-F176 HydrophobicContact CD1-CB 3.57Å; Y19-F176 HydrophobicContact CD2-CB 3.26Å; Y19-F176 AromaticContact CD2-CD2 3.21Å; Y19-F176 HydrophobicContact CD2-CD2 3.21Å; Y19-F176 HydrophobicContact CD2-CE2 4.15Å; Y19-F176 AromaticContact CD2-CG 3.53Å; Y19-F176 HydrophobicContact CD2-CG 3.53Å; Y19-F176 HydrophobicContact CE1-CB 4.09Å; Y19-F176 HydrophobicContact CE2-CB 3.79Å; Y19-F176 AromaticContact CE2-CD2 3.87Å; Y19-F176 HydrophobicContact CE2-CD2 3.87Å; Y19-F176 HydrophobicContact CE2-CG 4.29Å; Y19-F176 HydrophobicContact CG-CB 3.07Å; Y19-F176 AromaticContact CG-CD2 3.83Å; Y19-F176 HydrophobicContact CG-CD2 3.83Å; Y19-F176 AromaticContact CG-CG 3.64Å; Y19-F176 HydrophobicContact CG-CG 3.64Å; I174-F176 HydrophobicContact CB-CD2 4.11Å; I174-F176 HydrophobicContact CB-CE2 3.78Å; I174-F176 HydrophobicContact CG2-CD2 3.67Å; I174-F176 HydrophobicContact CG2-CE1 4.41Å; I174-F176 HydrophobicContact CG2-CE2 3.1Å; I174-F176 HydrophobicContact CG2-CZ 3.53Å; I174-F176 PolarHBondContact O-N 2.87Å; F176-C178 PolarHBondContact O-N 3.33Å
177S38.5Very low63.6Low98 Ų9864.6 Ų64.669%0.68535%0.347SS*.SBendtrans-62.919.7-152-19.90000118.8D17D17-S177 PolarHBondContact OD2-OG 3.01Å
178C37.8Very low63.4Low64 Ų6462.9 Ų62.943%0.43234%0.339SS..  trans-136134.2-179.8-70.50000114.8Y19 F176Y19-C178 HydrophobicContact CE1-CB 4.12Å; F176-C178 PolarHBondContact O-N 3.33Å
179P37.8Very low63.3Low125 Ų12563.2 Ų63.281%0.81234%0.341SS*.SBendtrans-77.6-16.7-176.2-15.630.4000117.2
180S37.8Very low63.2Low106 Ų10663.7 Ų63.774%0.74134%0.344SS*.SBendtrans-110.910.3-154.150.70000117.7
181L40.6Very low63.2Low106 Ų10664.5 Ų64.556%0.55535%0.351SS*.SBendtrans-121.9143.7178-78.5160000111.3K183L181-K183 PolarHBondContact O-N 2.81Å
182K44.9Very low63.5Low212 Ų21269 Ų6992%0.92238%0.375SS*.  trans-51.1106.9171.2-78.5-173.9177-1760107.8
183K50.9Low64.1Low87 Ų8767.9 Ų67.938%0.37837%0.371SS..  trans-65.3132.8-171.2-66.1173.7-178.1169.30108.3R173 L181 S185R173-K183 HydrophobicContact CB-CD 4.4Å; L181-K183 PolarHBondContact O-N 2.81Å; K183-S185 PolarHBondContact O-N 2.92Å
184P51Low65.1Low28 Ų2867.5 Ų67.518%0.18238%0.376CS..  trans-60117.7164.113.2-8.2000106.3Y19 F22 N23Y19-P184 HydrophobicContact CE2-CG 4.33Å; F22-P184 HydrophobicContact CD1-CB 3.93Å; F22-P184 HydrophobicContact CD1-CG 3.65Å; F22-P184 HydrophobicContact CE1-CB 3.58Å; F22-P184 HydrophobicContact CE1-CG 3.86Å; N23-P184 WeakPolarHBondContact OD1-CD 3.31Å; N23-P184 VanDerWaalsContact OD1-CG 3.23Å; N23-P184 WeakPolarHBondContact OD1-CG 3.29Å
185S64.4Low66.6Low48 Ų4865.4 Ų65.434%0.33637%0.365SS..EExtended strand (participates in β ladder)trans-117.4129.7-178.363.30000108.1R172 K183R172-S185 WeakPolarHBondContact O-CA 3.32Å; K183-S185 PolarHBondContact O-N 2.92Å
186E73.7Confident68.5Low91 Ų9168 Ų6843%0.42537%0.369SS..EExtended strand (participates in β ladder)trans-83.4116.2173.2-170.7171.3-161.900106.6R172R172-E186 HydrophobicContact CB-CB 4.43Å; R172-E186 PolarHBondContact N-O 3.17Å; R172-E186 PolarHBondContact O-N 3.39Å
187R85.4Confident70.3Confident70 Ų7067.5 Ų67.526%0.26437%0.373SS..EExtended strand (participates in β ladder)trans-97.4127.6177.3-67.9-172.7169.8179.7-3.2109E122 H169 G170 V171 S251 H252E122-R187 IonicContact OE2-CZ 2.73Å; E122-R187 VanDerWaalsContact OE2-CZ 3.26Å; E122-R187 IonicContact OE2-NE 3.19Å; E122-R187 PolarHBondContact OE2-NE 2.6Å; E122-R187 IonicContact OE2-NH2 2.78Å; E122-R187 PolarHBondContact OE2-NH2 3.22Å; H169-R187 HydrophobicContact CB-CB 4.43Å; G170-R187 CarbonylContact O-C 3.51Å; G170-R187 WeakPolarHBondContact O-CA 3.26Å; V171-R187 HydrophobicContact CG2-CG 4.11Å; R187-S251 CarbonylContact O-C 3.52Å; R187-S251 VanDerWaalsContact O-C 3.3Å; R187-H252 PolarHBondContact O-N 3.34Å
188S90.3Very high72.6Confident0 Ų064 Ų640%035%0.347CS..EExtended strand (participates in β ladder)trans-117.8122.9173.6-650000109.3H169 G170 V190 T248 R249 G250 S251H169-S188 CarbonylContact C-O 3.58Å; H169-S188 VanDerWaalsContact CA-O 3.3Å; H169-S188 WeakPolarHBondContact CA-O 3.3Å; G170-S188 PolarHBondContact N-O 3.5Å; G170-S188 PolarHBondContact O-N 3.34Å; S188-V190 PolarHBondContact O-N 3.02Å; S188-T248 WeakPolarHBondContact OG-CA 3.29Å; S188-R249 PolarHBondContact OG-N 3.16Å; S188-G250 WeakPolarHBondContact CB-O 3.46Å; S188-G250 PolarHBondContact OG-N 2.96Å; S188-G250 PolarHBondContact OG-O 3.37Å; S188-S251 WeakPolarHBondContact CA-O 3.45Å
189L93.6Very high74.7Confident7 Ų763.2 Ų63.24%0.03734%0.341CS..EExtended strand (participates in β ladder)trans-64.9123.3174.9-172.366.3000110.1Q167 A191 N192 S251 S255Q167-L189 HydrophobicContact CB-CD1 4.15Å; Q167-L189 HydrophobicContact CG-CD1 4.39Å; L189-A191 WeakPolarHBondContact CD1-O 3.4Å; L189-N192 HydrophobicContact CD1-CB 4.31Å; L189-N192 HydrophobicContact CD2-CB 4.16Å; L189-S251 PolarHBondContact N-O 2.69Å; L189-S255 WeakPolarHBondContact O-CA 3.26Å
190V94.1Very high76.8Confident10 Ų1066 Ų666%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-104.6-37.8-179.3176.70000111.1L168 S188 L238L168-V190 HydrophobicContact CD2-CB 4.14Å; L168-V190 HydrophobicContact CD2-CG1 3.97Å; L168-V190 HydrophobicContact CG-CB 4.11Å; L168-V190 HydrophobicContact CG-CG1 4.49Å; L168-V190 PolarHBondContact O-N 3.19Å; S188-V190 PolarHBondContact O-N 3.02Å; V190-L238 HydrophobicContact CG1-CD1 4.12Å; V190-L238 HydrophobicContact CG1-CD2 4.42Å
191A93.2Very high78.9Confident18 Ų1866 Ų6615%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-150.3145175.200000110.1Q167 L168 L189 L193 F236Q167-A191 WeakPolarHBondContact CA-O 3.28Å; L168-A191 HydrophobicContact CB-CB 4.1Å; L168-A191 PolarHBondContact N-O 3.39Å; L168-A191 PolarHBondContact O-N 2.81Å; L189-A191 WeakPolarHBondContact CD1-O 3.4Å; A191-L193 HydrophobicContact CB-CD1 4.02Å; A191-F236 HydrophobicContact CB-CE1 4.23Å
192N94Very high81.2Confident93 Ų9361.9 Ų61.950%0.49732%0.32SS..EExtended strand (participates in β ladder)trans-134.9124173.4-178.720.9000108Q167 L189Q167-N192 HydrophobicContact CG-CB 4.43Å; Q167-N192 VanDerWaalsContact CG-OD1 3.31Å; Q167-N192 WeakPolarHBondContact CG-OD1 3.43Å; L189-N192 HydrophobicContact CD1-CB 4.31Å; L189-N192 HydrophobicContact CD2-CB 4.16Å
193L92.9Very high83.5Confident3 Ų356.6 Ų56.62%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-121127.4-175.1-76.272.9000109.5S165 L166 A191 L198 Q217 I220 F236S165-L193 CarbonylContact C-O 3.6Å; S165-L193 WeakPolarHBondContact CA-O 3.29Å; S165-L193 VanDerWaalsContact CB-O 3.24Å; S165-L193 WeakPolarHBondContact CB-O 3.48Å; L166-L193 HydrophobicContact CB-CB 4.18Å; L166-L193 PolarHBondContact N-O 3.15Å; L166-L193 PolarHBondContact O-N 2.66Å; A191-L193 HydrophobicContact CB-CD1 4.02Å; L193-L198 HydrophobicContact CB-CD1 3.93Å; L193-L198 HydrophobicContact CD2-CD1 3.67Å; L193-L198 HydrophobicContact CG-CD1 3.99Å; L193-Q217 HydrophobicContact CD2-CG 4.3Å; L193-I220 HydrophobicContact CD1-CD1 3.61Å; L193-I220 HydrophobicContact CD2-CD1 3.45Å; L193-I220 VanDerWaalsContact CD2-CD1 3.45Å; L193-I220 HydrophobicContact CD2-CG2 4.2Å; L193-I220 HydrophobicContact CG-CD1 4.06Å; L193-F236 HydrophobicContact CD1-CE1 4.16Å; L193-F236 HydrophobicContact CD1-CZ 4.49Å
194D92.1Very high85.5Confident81 Ų8156 Ų5643%0.43330%0.302SS..EExtended strand (participates in β ladder)trans-86.1119.1162.4-179.8-3.8000108.6Q196 P197 L198D194-Q196 PolarHBondContact OD1-N 3.13Å; D194-P197 HydrophobicContact CB-CG 4.41Å; D194-P197 WeakPolarHBondContact O-CD 3.36Å; D194-P197 WeakPolarHBondContact OD1-CD 3.45Å; D194-L198 VanDerWaalsContact O-CD1 3.32Å; D194-L198 WeakPolarHBondContact O-CD1 3.42Å; D194-L198 VanDerWaalsContact O-CG 3.26Å; D194-L198 WeakPolarHBondContact O-CG 3.29Å
195M91.1Very high87.6Confident1 Ų154.9 Ų54.91%0.00530%0.295CS..Hα-helixtrans-79.3-19.4-176.2-70.5-64.2-66.600113.1Y160 I163 F164 L166 L198 T199 L216Y160-M195 HydrophobicContact CD2-CE 4.24Å; Y160-M195 HydrophobicContact CE2-CE 3.66Å; I163-M195 HydrophobicContact CB-CG 4.24Å; I163-M195 HydrophobicContact CG2-CB 4.45Å; I163-M195 HydrophobicContact CG2-CG 3.61Å; I163-M195 VanDerWaalsContact O-CB 3.23Å; I163-M195 WeakPolarHBondContact O-CB 3.5Å; F164-M195 WeakPolarHBondContact O-CB 3.25Å; F164-M195 PolarHBondContact O-N 3.24Å; L166-M195 HydrophobicContact CD1-SD 3.74Å; L166-M195 HydrophobicContact CG-CG 4.28Å; L166-M195 HydrophobicContact CG-SD 4.05Å; M195-L198 PolarHBondContact O-N 2.8Å; M195-L198 HydrophobicContact SD-CD1 4.34Å; M195-T199 VanDerWaalsContact O-CB 3.29Å; M195-T199 WeakPolarHBondContact O-CB 3.23Å; M195-T199 PolarHBondContact O-N 3.02Å; M195-T199 PolarHBondContact O-OG1 3.32Å; M195-L216 HydrophobicContact CE-CD1 3.82Å; M195-L216 HydrophobicContact CE-CD2 4.11Å; M195-L216 HydrophobicContact SD-CD1 3.93Å
196Q85.9Confident89Confident101 Ų10153.4 Ų53.447%0.47229%0.286SS..Hα-helixtrans-59.4-49.2-177.9-68.4-151.3-5.100114.5D194D194-Q196 PolarHBondContact OD1-N 3.13Å
197P87.1Confident90Very high68 Ų6857.3 Ų57.344%0.44230%0.297SS..Hα-helixtrans-70.9-39174.227.1-33.3000111.6D194 T199 K200 C201D194-P197 HydrophobicContact CB-CG 4.41Å; D194-P197 WeakPolarHBondContact O-CD 3.36Å; D194-P197 WeakPolarHBondContact OD1-CD 3.45Å; P197-T199 PolarHBondContact O-N 2.98Å; P197-K200 PolarHBondContact O-N 2.7Å; P197-C201 PolarHBondContact O-N 3.46Å
198L85.4Confident90.4Very high24 Ų2455 Ų5513%0.12629%0.29CS..Hα-helixtrans-66.2-38.2-174.6-62.9178.3000112.2L193 D194 M195 K200 C201 A202 L216 Q217L193-L198 HydrophobicContact CB-CD1 3.93Å; L193-L198 HydrophobicContact CD2-CD1 3.67Å; L193-L198 HydrophobicContact CG-CD1 3.99Å; D194-L198 VanDerWaalsContact O-CD1 3.32Å; D194-L198 WeakPolarHBondContact O-CD1 3.42Å; D194-L198 VanDerWaalsContact O-CG 3.26Å; D194-L198 WeakPolarHBondContact O-CG 3.29Å; M195-L198 PolarHBondContact O-N 2.8Å; M195-L198 HydrophobicContact SD-CD1 4.34Å; L198-K200 PolarHBondContact O-N 3.29Å; L198-C201 PolarHBondContact O-N 3.31Å; L198-C201 VanDerWaalsContact O-N 3.16Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.46Å; L198-A202 PolarHBondContact O-N 2.84Å; L198-L216 WeakPolarHBondContact CD2-O 3.44Å; L198-Q217 HydrophobicContact CD2-CB 4.16Å
199T82.6Confident90.6Very high49 Ų4961.5 Ų61.530%0.30132%0.321SS..Hα-helixtrans-60.2-31.5178.9-68.30000112.6Y160 M195 P197Y160-T199 HydrophobicContact CD1-CG2 4.44Å; Y160-T199 HydrophobicContact CE1-CG2 3.7Å; Y160-T199 WeakPolarHBondContact OH-CA 3.41Å; M195-T199 VanDerWaalsContact O-CB 3.29Å; M195-T199 WeakPolarHBondContact O-CB 3.23Å; M195-T199 PolarHBondContact O-N 3.02Å; M195-T199 PolarHBondContact O-OG1 3.32Å; P197-T199 PolarHBondContact O-N 2.98Å
200K81.5Confident90.5Very high183 Ų18364.7 Ų64.780%0.79633%0.334SS*.Hα-helixtrans-80.3-32.2178.7-60.8-179.9-176.9175.60113.1P197 L198P197-K200 PolarHBondContact O-N 2.7Å; L198-K200 PolarHBondContact O-N 3.29Å
201C83.1Confident90.5Very high106 Ų10664.2 Ų64.272%0.71633%0.331SS*.Hα-helixtrans-98.9-5.3-176.3-63.60000113.7P197 L198 Q203P197-C201 PolarHBondContact O-N 3.46Å; L198-C201 PolarHBondContact O-N 3.31Å; L198-C201 VanDerWaalsContact O-N 3.16Å; C201-Q203 PolarHBondContact O-N 3.43Å
202A88.9Confident90.6Very high20 Ų2065.5 Ų65.517%0.16534%0.336CS..PPolyproline II helixtrans-61.3121.3-175.400000112.1Y160 L198 K214 L215 L216Y160-A202 WeakPolarHBondContact OH-CB 3.41Å; L198-A202 VanDerWaalsContact O-CB 3.3Å; L198-A202 WeakPolarHBondContact O-CB 3.46Å; L198-A202 PolarHBondContact O-N 2.84Å; A202-K214 HydrophobicContact CB-CB 4.37Å; A202-K214 HydrophobicContact CB-CD 4.37Å; A202-L215 VanDerWaalsContact CA-O 3.28Å; A202-L215 WeakPolarHBondContact CA-O 3.42Å; A202-L216 HydrophobicContact CB-CD2 3.9Å
203Q91.6Very high90.7Very high101 Ų10161.1 Ų61.147%0.47231%0.312SS..EExtended strand (participates in β ladder)trans-86.8134.5-179.9-174.4-177.97.500110.4C201 I205 K214 L215C201-Q203 PolarHBondContact O-N 3.43Å; Q203-I205 HydrophobicContact CG-CG2 4.48Å; Q203-I205 PolarHBondContact O-N 2.86Å; Q203-K214 CarbonylContact O-C 3.54Å; Q203-K214 VanDerWaalsContact O-CA 3.29Å; Q203-K214 WeakPolarHBondContact O-CA 3.21Å; Q203-L215 PolarHBondContact N-O 2.94Å; Q203-L215 VanDerWaalsContact N-O 3.09Å; Q203-L215 PolarHBondContact O-N 3.24Å
204V93.9Very high90.8Very high75 Ų7563.1 Ų63.146%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-74.9118168.5174.90000108.6L212 L213 K214V204-L212 HydrophobicContact CG1-CD1 3.52Å; V204-L212 HydrophobicContact CG1-CG 4.38Å; V204-L212 HydrophobicContact CG2-CD1 4.29Å; V204-L212 HydrophobicContact CG2-CD2 4.39Å; V204-L213 WeakPolarHBondContact CA-O 3.39Å; V204-K214 HydrophobicContact CG2-CG 4.12Å
205I94.3Very high90.9Very high4 Ų460.4 Ų60.42%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-103.5-10.7-178.360.7168.1000113.2Q203 L213 L215 I221 P367 S369Q203-I205 HydrophobicContact CG-CG2 4.48Å; Q203-I205 PolarHBondContact O-N 2.86Å; I205-L213 HydrophobicContact CD1-CB 4.35Å; I205-L213 HydrophobicContact CG1-CB 3.76Å; I205-L213 PolarHBondContact N-O 2.76Å; I205-L215 HydrophobicContact CD1-CB 4.37Å; I205-L215 HydrophobicContact CG2-CB 3.59Å; I205-L215 HydrophobicContact CG2-CD2 4.27Å; I205-I221 HydrophobicContact CD1-CG2 3.61Å; I205-P367 HydrophobicContact CD1-CB 3.9Å; I205-S369 WeakPolarHBondContact O-CB 3.49Å; I205-S369 PolarHBondContact O-OG 3.15Å
206G93.6Very high91Very high16 Ų1660.8 Ų60.817%0.16531%0.308CS..EExtended strand (participates in β ladder)trans170.6173.9177.200000113L213G206-L213 PolarHBondContact O-N 2.84Å
207R95.1Very high91.3Very high173 Ų17359.3 Ų59.365%0.65330%0.301SS*.EExtended strand (participates in β ladder)trans-156.4158.9178.755.8-177.3152.6-166.5-7.4111.1V211 L212R207-V211 CarbonylContact C-O 3.51Å; R207-V211 VanDerWaalsContact CA-O 3.28Å; R207-V211 WeakPolarHBondContact CA-O 3.47Å; R207-L212 HydrophobicContact CB-CD1 3.96Å
208D94.8Very high91.5Very high22 Ų2259.5 Ų59.512%0.11830%0.303CS..  trans-130.9-159.3163.775.28.6000111.4F210 V211 R226 W334 G341 T342 V343D208-F210 VanDerWaalsContact C-N 3.28Å; D208-F210 PolarHBondContact O-N 2.79Å; D208-F210 PolarHBondContact OD1-N 3.33Å; D208-V211 PolarHBondContact N-O 2.78Å; D208-V211 WeakPolarHBondContact OD1-CG2 3.4Å; D208-V211 PolarHBondContact OD1-N 2.82Å; D208-R226 WeakPolarHBondContact O-CD 3.32Å; D208-R226 PolarHBondContact O-NH1 2.87Å; D208-R226 VanDerWaalsContact O-NH1 3.08Å; D208-W334 PolarHBondContact OD2-NE1 3.32Å; D208-G341 WeakPolarHBondContact OD2-CA 3.44Å; D208-T342 PolarHBondContact OD2-N 3.29Å; D208-V343 HydrophobicContact CB-CG2 4.31Å
209Q93.2Very high91.8Very high137 Ų13758.5 Ų58.564%0.6430%0.298SS*.SBendtrans-64.5-28.3179.367.1-173.4-13.900113.6
210F92.1Very high92.4Very high73 Ų7356.6 Ų56.632%0.3229%0.286SS..SBendtrans-113.8-33.3-174-58.6-58.1000113.9D208 W225 R226 W334D208-F210 VanDerWaalsContact C-N 3.28Å; D208-F210 PolarHBondContact O-N 2.79Å; D208-F210 PolarHBondContact OD1-N 3.33Å; F210-W225 HydrophobicContact CB-CE3 4.35Å; F210-W225 HydrophobicContact CB-CZ3 4.1Å; F210-R226 WeakPolarHBondContact O-CG 3.46Å; F210-R226 PolarHBondContact O-N 3.12Å; F210-W334 HydrophobicContact CB-CH2 3.95Å; F210-W334 HydrophobicContact CB-CZ2 3.86Å; F210-W334 HydrophobicContact CD2-CH2 4.1Å; F210-W334 HydrophobicContact CD2-CZ2 4.02Å; F210-W334 HydrophobicContact CG-CH2 4.43Å; F210-W334 HydrophobicContact CG-CZ2 4.44Å
211V94.3Very high93.1Very high0 Ų047.9 Ų47.90%025%0.248CC..EExtended strand (participates in β ladder)trans-124.7147.6-171.7-57.90000113.7R207 D208 L224 W225 A232 F233 W334 V343R207-V211 CarbonylContact C-O 3.51Å; R207-V211 VanDerWaalsContact CA-O 3.28Å; R207-V211 WeakPolarHBondContact CA-O 3.47Å; D208-V211 PolarHBondContact N-O 2.78Å; D208-V211 WeakPolarHBondContact OD1-CG2 3.4Å; D208-V211 PolarHBondContact OD1-N 2.82Å; V211-L224 CarbonylContact C-O 3.6Å; V211-L224 WeakPolarHBondContact CA-O 3.42Å; V211-W225 HydrophobicContact CG1-CE3 3.75Å; V211-W225 HydrophobicContact CG1-CZ3 3.73Å; V211-A232 HydrophobicContact CG1-CB 4.06Å; V211-F233 HydrophobicContact CG1-CE1 4.31Å; V211-F233 HydrophobicContact CG2-CE1 4.47Å; V211-W334 HydrophobicContact CB-CZ2 4.34Å; V211-W334 HydrophobicContact CG1-CD2 4.35Å; V211-W334 HydrophobicContact CG1-CE3 4.44Å; V211-W334 HydrophobicContact CG1-CH2 3.79Å; V211-W334 HydrophobicContact CG1-CZ2 3.66Å; V211-W334 HydrophobicContact CG1-CZ3 4.19Å; V211-W334 HydrophobicContact CG2-CD2 4.11Å; V211-W334 VanDerWaalsContact CG2-CE2 3.45Å; V211-W334 HydrophobicContact CG2-CG 4.34Å; V211-W334 HydrophobicContact CG2-CZ2 3.82Å; V211-V343 HydrophobicContact CG2-CG2 4.32Å
212L95.1Very high93.7Very high46 Ų4642.8 Ų42.824%0.24121%0.214CC..EExtended strand (participates in β ladder)trans-107.5123.2167.3-17969.7000108.6V204 R207 L224V204-L212 HydrophobicContact CG1-CD1 3.52Å; V204-L212 HydrophobicContact CG1-CG 4.38Å; V204-L212 HydrophobicContact CG2-CD1 4.29Å; V204-L212 HydrophobicContact CG2-CD2 4.39Å; R207-L212 HydrophobicContact CB-CD1 3.96Å; L212-L224 PolarHBondContact N-O 2.81Å; L212-L224 PolarHBondContact O-N 2.85Å
213L95.8Very high93.9Very high1 Ų141.9 Ų41.91%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-92.5124.9177-71.8-177.6000111.1V204 I205 G206 I221 F233 L332 V343V204-L213 WeakPolarHBondContact CA-O 3.39Å; I205-L213 HydrophobicContact CD1-CB 4.35Å; I205-L213 HydrophobicContact CG1-CB 3.76Å; I205-L213 PolarHBondContact N-O 2.76Å; G206-L213 PolarHBondContact O-N 2.84Å; L213-I221 HydrophobicContact CD2-CD1 4.43Å; L213-F233 HydrophobicContact CD2-CE2 3.7Å; L213-F233 HydrophobicContact CD2-CZ 3.55Å; L213-L332 HydrophobicContact CD1-CD2 3.67Å; L213-V343 HydrophobicContact CD1-CB 3.78Å; L213-V343 HydrophobicContact CD1-CG1 3.9Å; L213-V343 HydrophobicContact CD1-CG2 3.57Å; L213-V343 HydrophobicContact CG-CG2 3.94Å
214K95Very high94Very high45 Ų4537.5 Ų37.520%0.19619%0.186CC..EExtended strand (participates in β ladder)trans-114.9131.7170.6-68.2-174177.9-1770110.7Y160 A202 Q203 V204 I221 I222 L224Y160-K214 HydrophobicContact CE1-CD 4.3Å; A202-K214 HydrophobicContact CB-CB 4.37Å; A202-K214 HydrophobicContact CB-CD 4.37Å; Q203-K214 CarbonylContact O-C 3.54Å; Q203-K214 VanDerWaalsContact O-CA 3.29Å; Q203-K214 WeakPolarHBondContact O-CA 3.21Å; V204-K214 HydrophobicContact CG2-CG 4.12Å; K214-I221 CarbonylContact O-C 3.58Å; K214-I221 VanDerWaalsContact O-CA 3.26Å; K214-I221 WeakPolarHBondContact O-CA 3.35Å; K214-I222 HydrophobicContact CB-CG2 3.83Å; K214-I222 PolarHBondContact N-O 2.78Å; K214-I222 PolarHBondContact O-N 3.1Å; K214-L224 HydrophobicContact CD-CD1 3.92Å
215L94.9Very high94Very high23 Ų2336.3 Ų36.312%0.1217%0.173CC..EExtended strand (participates in β ladder)trans-85.5116.4167.7-178.469.4000108.4A202 Q203 I205 Q217 I221 P367A202-L215 VanDerWaalsContact CA-O 3.28Å; A202-L215 WeakPolarHBondContact CA-O 3.42Å; Q203-L215 PolarHBondContact N-O 2.94Å; Q203-L215 VanDerWaalsContact N-O 3.09Å; Q203-L215 PolarHBondContact O-N 3.24Å; I205-L215 HydrophobicContact CD1-CB 4.37Å; I205-L215 HydrophobicContact CG2-CB 3.59Å; I205-L215 HydrophobicContact CG2-CD2 4.27Å; L215-Q217 WeakPolarHBondContact CD1-O 3.39Å; L215-I221 HydrophobicContact CB-CG2 4.27Å; L215-I221 HydrophobicContact CD1-CG2 3.67Å; L215-P367 HydrophobicContact CD1-CB 4.5Å
216L93.3Very high93.7Very high9 Ų942.8 Ų42.85%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-81.1-49.8179.5-61.4-179.7000110.4Y160 L166 M195 L198 A202 I220 I222Y160-L216 HydrophobicContact CE2-CD2 3.88Å; Y160-L216 WeakPolarHBondContact OH-CD2 3.34Å; L166-L216 HydrophobicContact CD1-CD1 4.25Å; M195-L216 HydrophobicContact CE-CD1 3.82Å; M195-L216 HydrophobicContact CE-CD2 4.11Å; M195-L216 HydrophobicContact SD-CD1 3.93Å; L198-L216 WeakPolarHBondContact CD2-O 3.44Å; A202-L216 HydrophobicContact CB-CD2 3.9Å; L216-I220 HydrophobicContact CB-CG2 4.46Å; L216-I220 HydrophobicContact CD1-CG2 4.1Å; L216-I220 PolarHBondContact N-O 2.75Å; L216-I222 HydrophobicContact CD1-CB 4.27Å; L216-I222 HydrophobicContact CD1-CG2 4.34Å; L216-I222 HydrophobicContact CD2-CG2 3.91Å; L216-I222 HydrophobicContact CG-CB 4.47Å; L216-I222 HydrophobicContact CG-CG2 4.13Å
217Q91.4Very high93Very high70 Ų7049.9 Ų49.933%0.32723%0.231SC..EExtended strand (participates in β ladder)trans-157.2169.5174.966.4176.97.100108.7L193 L198 L215 G219 I220L193-Q217 HydrophobicContact CD2-CG 4.3Å; L198-Q217 HydrophobicContact CD2-CB 4.16Å; L215-Q217 WeakPolarHBondContact CD1-O 3.39Å; Q217-G219 PolarHBondContact O-N 2.78Å; Q217-G219 VanDerWaalsContact O-N 3.08Å; Q217-I220 HydrophobicContact CG-CB 4.28Å; Q217-I220 HydrophobicContact CG-CD1 3.92Å; Q217-I220 HydrophobicContact CG-CG1 4.36Å; Q217-I220 PolarHBondContact O-N 3.2Å
218P91.2Very high92Very high73 Ų7344.4 Ų44.447%0.47423%0.229SC..THydrogen-bonded Turntrans-50120.8179.1-29.637.3000112.3
219G93.1Very high91.3Very high3 Ų344.9 Ų44.93%0.03124%0.239CC..THydrogen-bonded Turntrans90.3-1.3179.400000115.8Q217 F236 T237 T365 T366Q217-G219 PolarHBondContact O-N 2.78Å; Q217-G219 VanDerWaalsContact O-N 3.08Å; G219-F236 CarbonylContact O-C 3.59Å; G219-T237 PolarHBondContact O-N 2.94Å; G219-T365 WeakPolarHBondContact CA-O 3.41Å; G219-T365 PolarHBondContact N-O 3.37Å; G219-T365 VanDerWaalsContact N-O 3.1Å; G219-T366 PolarHBondContact N-OG1 2.98Å
220I95.2Very high91Very high8 Ų840.2 Ų40.24%0.04122%0.221CC..EExtended strand (participates in β ladder)trans-133.1120.1-176-56.3172000111.1L193 L216 Q217 I235 F236L193-I220 HydrophobicContact CD1-CD1 3.61Å; L193-I220 HydrophobicContact CD2-CD1 3.45Å; L193-I220 VanDerWaalsContact CD2-CD1 3.45Å; L193-I220 HydrophobicContact CD2-CG2 4.2Å; L193-I220 HydrophobicContact CG-CD1 4.06Å; L216-I220 HydrophobicContact CB-CG2 4.46Å; L216-I220 HydrophobicContact CD1-CG2 4.1Å; L216-I220 PolarHBondContact N-O 2.75Å; Q217-I220 HydrophobicContact CG-CB 4.28Å; Q217-I220 HydrophobicContact CG-CD1 3.92Å; Q217-I220 HydrophobicContact CG-CG1 4.36Å; Q217-I220 PolarHBondContact O-N 3.2Å; I220-I235 WeakPolarHBondContact CA-O 3.37Å; I220-F236 HydrophobicContact CD1-CD1 3.6Å; I220-F236 HydrophobicContact CD1-CE1 3.29Å; I220-F236 HydrophobicContact CD1-CZ 4.06Å; I220-F236 HydrophobicContact CG1-CD1 3.59Å; I220-F236 HydrophobicContact CG1-CE1 3.77Å; I220-F236 HydrophobicContact CG1-CG 4.18Å; I220-F236 HydrophobicContact CG1-CZ 4.47Å; I220-F236 HydrophobicContact CG2-CE1 4.36Å; I220-F236 HydrophobicContact CG2-CE2 4.36Å; I220-F236 HydrophobicContact CG2-CZ 4.24Å
221I95.4Very high91.1Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-121.3151.1175.359.1175.2000111.2I205 L213 K214 L215 I235 L332 P367I205-I221 HydrophobicContact CD1-CG2 3.61Å; L213-I221 HydrophobicContact CD2-CD1 4.43Å; K214-I221 CarbonylContact O-C 3.58Å; K214-I221 VanDerWaalsContact O-CA 3.26Å; K214-I221 WeakPolarHBondContact O-CA 3.35Å; L215-I221 HydrophobicContact CB-CG2 4.27Å; L215-I221 HydrophobicContact CD1-CG2 3.67Å; I221-I235 HydrophobicContact CD1-CB 4.1Å; I221-I235 HydrophobicContact CD1-CD1 4.12Å; I221-I235 HydrophobicContact CD1-CG2 4.38Å; I221-I235 HydrophobicContact CG1-CB 3.67Å; I221-I235 HydrophobicContact CG1-CG2 4.18Å; I221-I235 PolarHBondContact N-O 3.03Å; I221-I235 PolarHBondContact O-N 2.97Å; I221-L332 HydrophobicContact CD1-CD2 3.62Å; I221-P367 HydrophobicContact CB-CG 4.42Å; I221-P367 HydrophobicContact CD1-CB 4.33Å; I221-P367 HydrophobicContact CD1-CG 4.06Å; I221-P367 HydrophobicContact CG1-CG 4.19Å; I221-P367 HydrophobicContact CG2-CB 3.57Å; I221-P367 HydrophobicContact CG2-CG 3.49Å; I221-P367 VanDerWaalsContact CG2-CG 3.49Å
222I94.9Very high91Very high0 Ų036.8 Ų36.80%021%0.207CC..EExtended strand (participates in β ladder)trans-121.5130.9171.2-162.9167.7000109.6Y160 I163 K214 L216 L224 V231 I234Y160-I222 HydrophobicContact CD2-CD1 3.68Å; Y160-I222 HydrophobicContact CD2-CG2 4.35Å; Y160-I222 HydrophobicContact CE2-CD1 4.08Å; Y160-I222 HydrophobicContact CE2-CG2 3.96Å; I163-I222 HydrophobicContact CD1-CD1 4.29Å; K214-I222 HydrophobicContact CB-CG2 3.83Å; K214-I222 PolarHBondContact N-O 2.78Å; K214-I222 PolarHBondContact O-N 3.1Å; L216-I222 HydrophobicContact CD1-CB 4.27Å; L216-I222 HydrophobicContact CD1-CG2 4.34Å; L216-I222 HydrophobicContact CD2-CG2 3.91Å; L216-I222 HydrophobicContact CG-CB 4.47Å; L216-I222 HydrophobicContact CG-CG2 4.13Å; I222-L224 HydrophobicContact CD1-CD2 4.13Å; I222-L224 HydrophobicContact CG1-CD2 4.04Å; I222-L224 HydrophobicContact CG2-CD2 4.35Å; I222-V231 HydrophobicContact CD1-CB 4.22Å; I222-V231 HydrophobicContact CD1-CG1 3.61Å; I222-V231 HydrophobicContact CD1-CG2 3.52Å; I222-V231 HydrophobicContact CG1-CB 4.5Å; I222-V231 HydrophobicContact CG1-CG1 3.55Å; I222-V231 HydrophobicContact CG1-CG2 4.24Å; I222-I234 HydrophobicContact CD1-CG1 4.13Å; I222-I234 HydrophobicContact CG1-CG1 3.99Å
223G94.8Very high90.9Very high0 Ų034.7 Ų34.70%020%0.196CC..EExtended strand (participates in β ladder)trans-95.1124.3170.300000109.4A232 F233G223-A232 WeakPolarHBondContact O-CA 3.41Å; G223-A232 WeakPolarHBondContact O-CB 3.39Å; G223-A232 PolarHBondContact O-N 2.92Å; G223-F233 PolarHBondContact N-O 2.83Å; G223-F233 PolarHBondContact O-N 2.91Å
224L93.9Very high90.9Very high9 Ų934.7 Ų34.75%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-108.1134.7178.1-56.2-178.6000109.8Y160 V211 L212 K214 I222 R226 S230 V231Y160-L224 HydrophobicContact CD1-CD1 4.11Å; Y160-L224 HydrophobicContact CD2-CD2 4.16Å; Y160-L224 HydrophobicContact CG-CD1 4.13Å; Y160-L224 HydrophobicContact CG-CD2 4Å; V211-L224 CarbonylContact C-O 3.6Å; V211-L224 WeakPolarHBondContact CA-O 3.42Å; L212-L224 PolarHBondContact N-O 2.81Å; L212-L224 PolarHBondContact O-N 2.85Å; K214-L224 HydrophobicContact CD-CD1 3.92Å; I222-L224 HydrophobicContact CD1-CD2 4.13Å; I222-L224 HydrophobicContact CG1-CD2 4.04Å; I222-L224 HydrophobicContact CG2-CD2 4.35Å; L224-R226 PolarHBondContact O-N 2.86Å; L224-S230 WeakPolarHBondContact CA-O 3.42Å; L224-V231 HydrophobicContact CD2-CB 4.49Å; L224-V231 HydrophobicContact CD2-CG2 3.89Å
225W92.1Very high90.9Very high50 Ų5032.6 Ų32.619%0.18919%0.187CC..EExtended strand (participates in β ladder)trans-62.8134.9169.2-64117.2000110F210 V211 D227 G229 S230 A232 W334 C336 L339F210-W225 HydrophobicContact CB-CE3 4.35Å; F210-W225 HydrophobicContact CB-CZ3 4.1Å; V211-W225 HydrophobicContact CG1-CE3 3.75Å; V211-W225 HydrophobicContact CG1-CZ3 3.73Å; W225-D227 VanDerWaalsContact C-N 3.27Å; W225-D227 PolarHBondContact O-N 2.94Å; W225-G229 WeakPolarHBondContact O-CA 3.41Å; W225-G229 PolarHBondContact O-N 2.97Å; W225-S230 VanDerWaalsContact CD1-OG 3.29Å; W225-S230 PolarHBondContact N-O 2.91Å; W225-A232 HydrophobicContact CD2-CB 3.61Å; W225-A232 HydrophobicContact CE3-CB 4.1Å; W225-A232 HydrophobicContact CG-CB 4.05Å; W225-A232 HydrophobicContact CH2-CB 4.04Å; W225-A232 HydrophobicContact CZ2-CB 3.55Å; W225-A232 HydrophobicContact CZ3-CB 4.29Å; W225-W334 HydrophobicContact CH2-CH2 4.03Å; W225-W334 AromaticContact CH2-CZ3 3.8Å; W225-W334 HydrophobicContact CH2-CZ3 3.8Å; W225-W334 AromaticContact CZ3-CH2 3.72Å; W225-W334 HydrophobicContact CZ3-CH2 3.72Å; W225-W334 AromaticContact CZ3-CZ3 3.96Å; W225-W334 HydrophobicContact CZ3-CZ3 3.96Å; W225-C336 HydrophobicContact CH2-CB 4.31Å; W225-C336 HydrophobicContact CZ2-CB 4.34Å; W225-L339 HydrophobicContact CH2-CB 4.14Å; W225-L339 HydrophobicContact CH2-CD1 3.56Å; W225-L339 HydrophobicContact CH2-CG 4.48Å; W225-L339 HydrophobicContact CZ2-CD1 4.37Å; W225-L339 HydrophobicContact CZ3-CD1 3.77Å
226R89.5Confident91.1Very high141 Ų14131.5 Ų31.553%0.53218%0.181SC..THydrogen-bonded Turntrans-68.4-29-179.9-71.6-176.164.3-167.2-9.1112.9D208 F210 L224 G228D208-R226 WeakPolarHBondContact O-CD 3.32Å; D208-R226 PolarHBondContact O-NH1 2.87Å; D208-R226 VanDerWaalsContact O-NH1 3.08Å; F210-R226 WeakPolarHBondContact O-CG 3.46Å; F210-R226 PolarHBondContact O-N 3.12Å; L224-R226 PolarHBondContact O-N 2.86Å; R226-G228 VanDerWaalsContact C-N 3.32Å; R226-G228 PolarHBondContact O-N 2.98Å
227D79Confident91.2Very high164 Ų16431.3 Ų31.388%0.87718%0.18SC*.THydrogen-bonded Turntrans-95.739.2-173.6-59.3-18.6000112.6W225W225-D227 VanDerWaalsContact C-N 3.27Å; W225-D227 PolarHBondContact O-N 2.94Å
228G73.8Confident91.5Very high58 Ų5828.6 Ų28.660%0.59817%0.167SC*.THydrogen-bonded Turntrans160-8.1176.900000116.1R226 S230R226-G228 VanDerWaalsContact C-N 3.32Å; R226-G228 PolarHBondContact O-N 2.98Å; G228-S230 PolarHBondContact O-N 2.87Å; G228-S230 VanDerWaalsContact O-N 3.09Å
229G78.8Confident91.7Very high32 Ų3225.6 Ų25.633%0.3315%0.147SC..  trans68.55.4179.100000114.5W225W225-G229 WeakPolarHBondContact O-CA 3.41Å; W225-G229 PolarHBondContact O-N 2.97Å
230S88.7Confident91.7Very high39 Ų3926 Ų2627%0.27315%0.148SC..BIsolated β-bridgetrans-67.2152.117250.50000110.6N159 L224 W225 G228 A232N159-S230 WeakPolarHBondContact OD1-CB 3.46Å; L224-S230 WeakPolarHBondContact CA-O 3.42Å; W225-S230 VanDerWaalsContact CD1-OG 3.29Å; W225-S230 PolarHBondContact N-O 2.91Å; G228-S230 PolarHBondContact O-N 2.87Å; G228-S230 VanDerWaalsContact O-N 3.09Å; S230-A232 PolarHBondContact O-N 3.33Å
231V92.2Very high91.6Very high2 Ų227.3 Ų27.31%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-79.7118-174.5-177.90000110.4L157 I163 I222 L224 I234L157-V231 HydrophobicContact CB-CB 4.06Å; L157-V231 HydrophobicContact CB-CG1 4.48Å; L157-V231 HydrophobicContact CD1-CB 4.01Å; L157-V231 HydrophobicContact CD1-CG1 3.49Å; L157-V231 VanDerWaalsContact CD1-CG1 3.49Å; L157-V231 HydrophobicContact CG-CG1 4.49Å; I163-V231 HydrophobicContact CD1-CG2 3.92Å; I222-V231 HydrophobicContact CD1-CB 4.22Å; I222-V231 HydrophobicContact CD1-CG1 3.61Å; I222-V231 HydrophobicContact CD1-CG2 3.52Å; I222-V231 HydrophobicContact CG1-CB 4.5Å; I222-V231 HydrophobicContact CG1-CG1 3.55Å; I222-V231 HydrophobicContact CG1-CG2 4.24Å; L224-V231 HydrophobicContact CD2-CB 4.49Å; L224-V231 HydrophobicContact CD2-CG2 3.89Å; V231-I234 HydrophobicContact CG1-CD1 4.35Å; V231-I234 HydrophobicContact CG1-CG1 3.85Å
232A92.4Very high91.3Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-76.2-48.8173.900000111.3G153 V211 G223 W225 S230 C336G153-A232 PolarHBondContact N-O 2.77Å; V211-A232 HydrophobicContact CG1-CB 4.06Å; G223-A232 WeakPolarHBondContact O-CA 3.41Å; G223-A232 WeakPolarHBondContact O-CB 3.39Å; G223-A232 PolarHBondContact O-N 2.92Å; W225-A232 HydrophobicContact CD2-CB 3.61Å; W225-A232 HydrophobicContact CE3-CB 4.1Å; W225-A232 HydrophobicContact CG-CB 4.05Å; W225-A232 HydrophobicContact CH2-CB 4.04Å; W225-A232 HydrophobicContact CZ2-CB 3.55Å; W225-A232 HydrophobicContact CZ3-CB 4.29Å; S230-A232 PolarHBondContact O-N 3.33Å; A232-C336 PolarHBondContact O-SG 2.94Å
233F94.1Very high91.2Very high2 Ų229.4 Ų29.41%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-158.9159.417955.7-96.2000111.8W151 V211 L213 G223 I235 W334W151-F233 CarbonylContact O-C 3.55Å; W151-F233 WeakPolarHBondContact O-CA 3.31Å; W151-F233 WeakPolarHBondContact O-CB 3.43Å; V211-F233 HydrophobicContact CG1-CE1 4.31Å; V211-F233 HydrophobicContact CG2-CE1 4.47Å; L213-F233 HydrophobicContact CD2-CE2 3.7Å; L213-F233 HydrophobicContact CD2-CZ 3.55Å; G223-F233 PolarHBondContact N-O 2.83Å; G223-F233 PolarHBondContact O-N 2.91Å; F233-I235 HydrophobicContact CD2-CD1 3.75Å; F233-I235 HydrophobicContact CD2-CG1 3.9Å; F233-I235 HydrophobicContact CE2-CD1 3.72Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å; F233-W334 HydrophobicContact CD1-CB 4.46Å; F233-W334 HydrophobicContact CD1-CE3 4.21Å; F233-W334 HydrophobicContact CE1-CB 3.63Å; F233-W334 AromaticContact CE1-CD2 3.71Å; F233-W334 HydrophobicContact CE1-CD2 3.71Å; F233-W334 AromaticContact CE1-CE3 3.76Å; F233-W334 HydrophobicContact CE1-CE3 3.76Å; F233-W334 AromaticContact CE1-CG 3.66Å; F233-W334 HydrophobicContact CE1-CG 3.66Å; F233-W334 HydrophobicContact CE2-CB 4.47Å; F233-W334 HydrophobicContact CZ-CB 3.63Å; F233-W334 HydrophobicContact CZ-CD2 4.39Å; F233-W334 AromaticContact CZ-CG 3.87Å; F233-W334 HydrophobicContact CZ-CG 3.87Å
234I95.4Very high91.1Very high0 Ų029.6 Ų29.60%016%0.163CC..EExtended strand (participates in β ladder)trans-122.4128.4171.5-58.2168.4000107.7L123 C150 W151 L157 L166 I222 V231 F236L123-I234 HydrophobicContact CD2-CB 4.24Å; L123-I234 HydrophobicContact CD2-CD1 3.86Å; L123-I234 HydrophobicContact CD2-CG2 4.31Å; C150-I234 WeakPolarHBondContact CA-O 3.36Å; W151-I234 PolarHBondContact N-O 2.94Å; W151-I234 PolarHBondContact O-N 2.79Å; L157-I234 HydrophobicContact CD1-CD1 4.11Å; L157-I234 HydrophobicContact CD1-CG1 4.22Å; L157-I234 HydrophobicContact CD2-CD1 3.84Å; L166-I234 HydrophobicContact CD1-CD1 4.3Å; L166-I234 HydrophobicContact CD1-CG2 4.48Å; L166-I234 HydrophobicContact CD2-CD1 3.95Å; I222-I234 HydrophobicContact CD1-CG1 4.13Å; I222-I234 HydrophobicContact CG1-CG1 3.99Å; V231-I234 HydrophobicContact CG1-CD1 4.35Å; V231-I234 HydrophobicContact CG1-CG1 3.85Å; I234-F236 HydrophobicContact CG2-CD2 3.96Å; I234-F236 HydrophobicContact CG2-CE2 3.56Å
235I95.9Very high90.9Very high2 Ų230.9 Ų30.91%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-118129.1177.5-68.7167.7000110W139 T148 L149 C150 I220 I221 F233 T286W139-I235 HydrophobicContact CZ2-CD1 4.48Å; T148-I235 HydrophobicContact CG2-CG2 3.6Å; L149-I235 CarbonylContact O-C 3.6Å; L149-I235 VanDerWaalsContact O-CA 3.23Å; L149-I235 WeakPolarHBondContact O-CA 3.28Å; C150-I235 HydrophobicContact CB-CG1 3.89Å; I220-I235 WeakPolarHBondContact CA-O 3.37Å; I221-I235 HydrophobicContact CD1-CB 4.1Å; I221-I235 HydrophobicContact CD1-CD1 4.12Å; I221-I235 HydrophobicContact CD1-CG2 4.38Å; I221-I235 HydrophobicContact CG1-CB 3.67Å; I221-I235 HydrophobicContact CG1-CG2 4.18Å; I221-I235 PolarHBondContact N-O 3.03Å; I221-I235 PolarHBondContact O-N 2.97Å; F233-I235 HydrophobicContact CD2-CD1 3.75Å; F233-I235 HydrophobicContact CD2-CG1 3.9Å; F233-I235 HydrophobicContact CE2-CD1 3.72Å; F233-I235 HydrophobicContact CE2-CG1 4.32Å; I235-T286 HydrophobicContact CD1-CG2 4.42Å
236F97.3Very high90.9Very high0 Ų030.7 Ų30.70%017%0.168CC..EExtended strand (participates in β ladder)trans-107.7133.8168.8-75-109.6000109.3L123 T148 L149 W151 L168 A191 L193 G219 I220 I234 L238L123-F236 HydrophobicContact CD1-CE2 3.73Å; L123-F236 HydrophobicContact CD1-CZ 3.93Å; L123-F236 HydrophobicContact CD2-CE2 4.42Å; T148-F236 CarbonylContact C-O 3.44Å; T148-F236 WeakPolarHBondContact CA-O 3.3Å; L149-F236 HydrophobicContact CB-CB 4.33Å; L149-F236 PolarHBondContact N-O 2.84Å; L149-F236 PolarHBondContact O-N 3.14Å; W151-F236 HydrophobicContact CE3-CD2 4.14Å; W151-F236 HydrophobicContact CH2-CD2 4.44Å; W151-F236 HydrophobicContact CZ3-CB 4.27Å; W151-F236 AromaticContact CZ3-CD2 3.58Å; W151-F236 HydrophobicContact CZ3-CD2 3.58Å; W151-F236 HydrophobicContact CZ3-CE2 4.3Å; W151-F236 HydrophobicContact CZ3-CG 4.23Å; L168-F236 HydrophobicContact CB-CD1 4.43Å; L168-F236 HydrophobicContact CB-CE1 4.04Å; L168-F236 HydrophobicContact CB-CZ 4.36Å; L168-F236 HydrophobicContact CD2-CB 4.37Å; L168-F236 HydrophobicContact CD2-CD1 3.71Å; L168-F236 HydrophobicContact CD2-CE1 4.16Å; L168-F236 HydrophobicContact CD2-CG 4.1Å; A191-F236 HydrophobicContact CB-CE1 4.23Å; L193-F236 HydrophobicContact CD1-CE1 4.16Å; L193-F236 HydrophobicContact CD1-CZ 4.49Å; G219-F236 CarbonylContact O-C 3.59Å; I220-F236 HydrophobicContact CD1-CD1 3.6Å; I220-F236 HydrophobicContact CD1-CE1 3.29Å; I220-F236 HydrophobicContact CD1-CZ 4.06Å; I220-F236 HydrophobicContact CG1-CD1 3.59Å; I220-F236 HydrophobicContact CG1-CE1 3.77Å; I220-F236 HydrophobicContact CG1-CG 4.18Å; I220-F236 HydrophobicContact CG1-CZ 4.47Å; I220-F236 HydrophobicContact CG2-CE1 4.36Å; I220-F236 HydrophobicContact CG2-CE2 4.36Å; I220-F236 HydrophobicContact CG2-CZ 4.24Å; I234-F236 HydrophobicContact CG2-CD2 3.96Å; I234-F236 HydrophobicContact CG2-CE2 3.56Å; F236-L238 HydrophobicContact CB-CD2 4.47Å
237T96.7Very high90.9Very high5 Ų524 Ų243%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-118.7113.3171.6-48.80000108.8L147 G219 I348 T365L147-T237 CarbonylContact O-C 3.56Å; L147-T237 WeakPolarHBondContact O-CA 3.34Å; G219-T237 PolarHBondContact O-N 2.94Å; T237-I348 HydrophobicContact CG2-CG2 3.68Å; T237-T365 HydrophobicContact CG2-CG2 3.23Å
238L96.4Very high91.3Very high12 Ų1217.1 Ų17.16%0.06311%0.107CC..EExtended strand (participates in β ladder)trans-110.4125.3-172.7-52.9176.3000110.5S146 L147 L149 L168 V190 F236 L243S146-L238 CarbonylContact C-O 3.55Å; S146-L238 WeakPolarHBondContact CA-O 3.14Å; L147-L238 PolarHBondContact N-O 2.8Å; L147-L238 PolarHBondContact O-N 3.4Å; L149-L238 HydrophobicContact CD1-CD1 3.82Å; L168-L238 HydrophobicContact CD2-CD1 3.89Å; L168-L238 HydrophobicContact CD2-CD2 4.06Å; L168-L238 HydrophobicContact CD2-CG 4.47Å; V190-L238 HydrophobicContact CG1-CD1 4.12Å; V190-L238 HydrophobicContact CG1-CD2 4.42Å; F236-L238 HydrophobicContact CB-CD2 4.47Å; L238-L243 HydrophobicContact CB-CD1 4.07Å; L238-L243 HydrophobicContact CD1-CD1 3.83Å
239H95.4Very high91.7Very high10 Ų1020.3 Ų20.35%0.04610%0.101CC..EExtended strand (participates in β ladder)trans-64.2144.2170.1-164.7-104.6000111.4T145 Y241 T352 T365T145-H239 PolarHBondContact O-CD2 3.39Å; H239-Y241 WeakPolarHBondContact ND1-CB 3.23Å; H239-Y241 PolarHBondContact ND1-N 2.94Å; H239-Y241 PolarHBondContact O-N 3.42Å; H239-T352 PolarHBondContact NE2-OG1 3.17Å; H239-T365 WeakPolarHBondContact CB-OG1 3.27Å; H239-T365 PolarHBondContact CD2-OG1 2.87Å; H239-T365 VanDerWaalsContact CD2-OG1 3.31Å
240F94.6Very high91.8Very high13 Ų1319.1 Ų19.16%0.0579%0.089CC..SBendtrans-66.8-17.4-179-81.75.2000114.6L106 T110 F142 S143 E144 T145 S146 L147 K242 L243L106-F240 HydrophobicContact CD1-CB 4.16Å; L106-F240 HydrophobicContact CD2-CB 4.41Å; T110-F240 HydrophobicContact CG2-CB 4.07Å; T110-F240 HydrophobicContact CG2-CD1 4.17Å; T110-F240 HydrophobicContact CG2-CD2 3.99Å; T110-F240 HydrophobicContact CG2-CE2 4.5Å; T110-F240 HydrophobicContact CG2-CG 3.81Å; F142-F240 HydrophobicContact CB-CZ 4.38Å; F142-F240 AromaticContact CD1-CE1 3.87Å; F142-F240 HydrophobicContact CD1-CE1 3.87Å; F142-F240 AromaticContact CD1-CZ 3.78Å; F142-F240 HydrophobicContact CD1-CZ 3.78Å; S143-F240 WeakPolarHBondContact O-CE2 3.43Å; S143-F240 WeakPolarHBondContact O-CZ 3.24Å; E144-F240 WeakPolarHBondContact O-CE2 3.48Å; T145-F240 WeakPolarHBondContact O-CB 3.05Å; T145-F240 PolarHBondContact O-N 3.14Å; S146-F240 WeakPolarHBondContact O-CE1 3.26Å; S146-F240 WeakPolarHBondContact O-CZ 3.37Å; L147-F240 HydrophobicContact CB-CE1 4.02Å; F240-K242 PolarHBondContact O-N 3.49Å; F240-L243 HydrophobicContact CD1-CD2 3.86Å; F240-L243 HydrophobicContact CE1-CD2 4.37Å; F240-L243 WeakPolarHBondContact O-CB 3.31Å; F240-L243 PolarHBondContact O-N 2.98Å
241Y91.8Very high91.4Very high35 Ų3520 Ų2014%0.13710%0.095CC..THydrogen-bonded Turntrans-52.4115.9178.2-179.3-86.6000111.3L106 H239 L243 E258 Q360 R363L106-Y241 HydrophobicContact CD2-CD2 4.49Å; H239-Y241 WeakPolarHBondContact ND1-CB 3.23Å; H239-Y241 PolarHBondContact ND1-N 2.94Å; H239-Y241 PolarHBondContact O-N 3.42Å; Y241-L243 PolarHBondContact O-N 3.08Å; Y241-E258 WeakPolarHBondContact CE1-OE1 3.33Å; Y241-E258 WeakPolarHBondContact CE1-OE2 3.37Å; Y241-E258 PolarHBondContact OH-OE2 2.86Å; Y241-Q360 HydrophobicContact CD2-CB 3.91Å; Y241-Q360 HydrophobicContact CD2-CG 3.66Å; Y241-Q360 HydrophobicContact CE2-CB 3.54Å; Y241-Q360 HydrophobicContact CE2-CG 3.67Å; Y241-R363 VanDerWaalsContact CE1-CZ 3.5Å
242K90.3Very high91Very high43 Ų4323.9 Ų23.919%0.18711%0.112CC..THydrogen-bonded Turntrans48.127-176.9-62.9-176.8-176.41670114F240 V244 E245 R246 Y256 E258F240-K242 PolarHBondContact O-N 3.49Å; K242-V244 VanDerWaalsContact C-N 3.28Å; K242-V244 PolarHBondContact O-N 2.85Å; K242-E245 VanDerWaalsContact CA-OE2 3.25Å; K242-E245 WeakPolarHBondContact CA-OE2 3.36Å; K242-E245 HydrophobicContact CB-CB 4.45Å; K242-E245 PolarHBondContact O-N 3.42Å; K242-R246 WeakPolarHBondContact O-CB 3.28Å; K242-R246 VanDerWaalsContact O-CG 3.23Å; K242-R246 WeakPolarHBondContact O-CG 3.4Å; K242-R246 PolarHBondContact O-N 3.09Å; K242-Y256 HydrophobicContact CD-CE1 4.28Å; K242-E258 HydrophobicContact CD-CG 3.94Å; K242-E258 IonicContact NZ-OE2 2.84Å; K242-E258 PolarHBondContact NZ-OE2 2.93Å
243L93.3Very high90.6Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-65.2-34.4-174.718059.8000111.8L114 L147 L238 F240 Y241 S247L114-L243 HydrophobicContact CD1-CD2 3.88Å; L114-L243 HydrophobicContact CD1-CG 4.16Å; L147-L243 HydrophobicContact CB-CD2 3.98Å; L147-L243 HydrophobicContact CD2-CD2 3.91Å; L238-L243 HydrophobicContact CB-CD1 4.07Å; L238-L243 HydrophobicContact CD1-CD1 3.83Å; F240-L243 HydrophobicContact CD1-CD2 3.86Å; F240-L243 HydrophobicContact CE1-CD2 4.37Å; F240-L243 WeakPolarHBondContact O-CB 3.31Å; F240-L243 PolarHBondContact O-N 2.98Å; Y241-L243 PolarHBondContact O-N 3.08Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.48Å; L243-S247 PolarHBondContact O-N 3.3Å; L243-S247 PolarHBondContact O-OG 3.39Å
244V91.4Very high90.1Very high5 Ų533.4 Ų33.43%0.0317%0.169CC..Hα-helixtrans-61.7-49.5174.5178.60000110.2L97 T110 V113 L114 L117 K242 S247 T248L97-V244 HydrophobicContact CD1-CB 4.3Å; L97-V244 HydrophobicContact CD1-CG1 4.35Å; L97-V244 HydrophobicContact CD1-CG2 4.28Å; L97-V244 HydrophobicContact CD2-CG2 4.2Å; T110-V244 HydrophobicContact CG2-CG2 4.25Å; V113-V244 HydrophobicContact CB-CG2 4.41Å; V113-V244 HydrophobicContact CG1-CG1 3.97Å; V113-V244 HydrophobicContact CG1-CG2 3.93Å; L114-V244 HydrophobicContact CD2-CB 4.42Å; L114-V244 HydrophobicContact CD2-CG2 3.94Å; L114-V244 HydrophobicContact CG-CG2 3.96Å; L117-V244 HydrophobicContact CD1-CG1 3.75Å; K242-V244 VanDerWaalsContact C-N 3.28Å; K242-V244 PolarHBondContact O-N 2.85Å; V244-S247 PolarHBondContact O-N 3.27Å; V244-T248 WeakPolarHBondContact O-CB 3.41Å; V244-T248 WeakPolarHBondContact O-CG2 3.18Å; V244-T248 PolarHBondContact O-N 3.14Å; V244-T248 VanDerWaalsContact O-N 3.13Å; V244-T248 PolarHBondContact O-OG1 3.16Å
245E89.3Confident89.7Confident35 Ų3536 Ų3616%0.16419%0.187CC..Hα-helixtrans-64.2-46.9178.9-67.183.9170.900111.6K242 S247 T248 R249 Y256K242-E245 VanDerWaalsContact CA-OE2 3.25Å; K242-E245 WeakPolarHBondContact CA-OE2 3.36Å; K242-E245 HydrophobicContact CB-CB 4.45Å; K242-E245 PolarHBondContact O-N 3.42Å; E245-S247 PolarHBondContact O-N 2.95Å; E245-T248 PolarHBondContact O-N 3Å; E245-T248 VanDerWaalsContact O-N 3.15Å; E245-R249 HydrophobicContact CB-CG 4.45Å; E245-R249 WeakPolarHBondContact O-CB 3.48Å; E245-R249 PolarHBondContact O-N 3.43Å; E245-Y256 HydrophobicContact CB-CD1 3.97Å; E245-Y256 HydrophobicContact CB-CD2 4.43Å; E245-Y256 HydrophobicContact CB-CE1 3.72Å; E245-Y256 HydrophobicContact CB-CE2 4.22Å; E245-Y256 HydrophobicContact CB-CG 4.3Å; E245-Y256 HydrophobicContact CG-CE1 4.44Å
246R91.9Very high89.3Confident47 Ų4737.4 Ų37.418%0.17719%0.193CC..Hα-helixtrans-56.8-36.1176.7-71.3166.462.4-157.50.3112K242 Y256K242-R246 WeakPolarHBondContact O-CB 3.28Å; K242-R246 VanDerWaalsContact O-CG 3.23Å; K242-R246 WeakPolarHBondContact O-CG 3.4Å; K242-R246 PolarHBondContact O-N 3.09Å; R246-Y256 HydrophobicContact CG-CD1 4.23Å
247S91Very high88.6Confident0 Ų043.3 Ų43.30%023%0.228CC..THydrogen-bonded Turntrans-88.8-5.4-177.6-49.80000114.6W121 G170 L243 V244 E245W121-S247 PolarHBondContact NE1-OG 3.12Å; G170-S247 CarbonylContact C-O 3.6Å; L243-S247 VanDerWaalsContact O-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.48Å; L243-S247 PolarHBondContact O-N 3.3Å; L243-S247 PolarHBondContact O-OG 3.39Å; V244-S247 PolarHBondContact O-N 3.27Å; E245-S247 PolarHBondContact O-N 2.95Å
248T85.8Confident87.9Confident19 Ų1946.2 Ų46.212%0.11724%0.241CC..THydrogen-bonded Turntrans-136.8-15.7-173.760.30000115.7L117 V119 S188 V244 E245L117-T248 HydrophobicContact CD1-CG2 4.4Å; V119-T248 HydrophobicContact CG2-CG2 3.7Å; S188-T248 WeakPolarHBondContact OG-CA 3.29Å; V244-T248 WeakPolarHBondContact O-CB 3.41Å; V244-T248 WeakPolarHBondContact O-CG2 3.18Å; V244-T248 PolarHBondContact O-N 3.14Å; V244-T248 VanDerWaalsContact O-N 3.13Å; V244-T248 PolarHBondContact O-OG1 3.16Å; E245-T248 PolarHBondContact O-N 3Å; E245-T248 VanDerWaalsContact O-N 3.15Å
249R82.3Confident87Confident126 Ų12649.3 Ų49.348%0.47526%0.262SS..SBendtrans-116.9-3.1-174.9-57.7-179.772.2-165.9-9.7113.5M90 S188 E245 Y256M90-R249 HydrophobicContact CE-CG 4.17Å; S188-R249 PolarHBondContact OG-N 3.16Å; E245-R249 HydrophobicContact CB-CG 4.45Å; E245-R249 WeakPolarHBondContact O-CB 3.48Å; E245-R249 PolarHBondContact O-N 3.43Å; R249-Y256 HydrophobicContact CB-CD2 3.6Å; R249-Y256 HydrophobicContact CB-CE2 4.02Å; R249-Y256 HydrophobicContact CB-CG 4.45Å; R249-Y256 PolarHBondContact NH1-OH 3.17Å; R249-Y256 VanDerWaalsContact NH1-OH 3.1Å
250G80.9Confident85.9Confident7 Ų757.2 Ų57.27%0.07230%0.303CS..SBendtrans-73.3165.116700000110.4S188S188-G250 WeakPolarHBondContact CB-O 3.46Å; S188-G250 PolarHBondContact OG-N 2.96Å; S188-G250 PolarHBondContact OG-O 3.37Å
251S81.6Confident84.8Confident58 Ų5862 Ų6241%0.40633%0.333SS..  trans-97.8-179.2167.367.60000110R187 S188 L189 D253 C254R187-S251 CarbonylContact O-C 3.52Å; R187-S251 VanDerWaalsContact O-C 3.3Å; S188-S251 WeakPolarHBondContact CA-O 3.45Å; L189-S251 PolarHBondContact N-O 2.69Å; S251-D253 VanDerWaalsContact C-N 3.28Å; S251-D253 PolarHBondContact O-N 2.94Å; S251-C254 PolarHBondContact N-O 3.31Å; S251-C254 WeakPolarHBondContact OG-CB 3.41Å; S251-C254 PolarHBondContact OG-N 3.41Å; S251-C254 PolarHBondContact OG-O 3Å
252H83Confident83.8Confident82 Ų8268.5 Ų68.538%0.3837%0.365SS..SBendtrans-58.6-42.1175.1-176.4-89.8000112.3H169 R187H169-H252 PolarHBondContact NE2-O 2.97Å; H169-H252 VanDerWaalsContact NE2-O 3.1Å; R187-H252 PolarHBondContact O-N 3.34Å
253D84.1Confident82.9Confident125 Ų12569.3 Ų69.367%0.66837%0.374SS*.SBendtrans-104.4-13-170.4-52.2-47.4000113.2S251S251-D253 VanDerWaalsContact C-N 3.28Å; S251-D253 PolarHBondContact O-N 2.94Å
254C83.4Confident82Confident77 Ų7770.8 Ų70.852%0.5238%0.384SS..SBendtrans-131.5128.6-176-57.40000111.6S251S251-C254 PolarHBondContact N-O 3.31Å; S251-C254 WeakPolarHBondContact OG-CB 3.41Å; S251-C254 PolarHBondContact OG-N 3.41Å; S251-C254 PolarHBondContact OG-O 3Å
255S88.2Confident80.9Confident56 Ų5678.7 Ų78.739%0.39242%0.418SS..PPolyproline II helixtrans-61.7155.7172.6-58.30000111.9L189 V257L189-S255 WeakPolarHBondContact O-CA 3.26Å; S255-V257 PolarHBondContact O-N 2.97Å
256Y86.6Confident80Confident31 Ų3177.1 Ų77.112%0.12241%0.411CS..PPolyproline II helixtrans-59.4122.8171.9172.3-108.3000110.9K242 E245 R246 R249 E258 P259K242-Y256 HydrophobicContact CD-CE1 4.28Å; E245-Y256 HydrophobicContact CB-CD1 3.97Å; E245-Y256 HydrophobicContact CB-CD2 4.43Å; E245-Y256 HydrophobicContact CB-CE1 3.72Å; E245-Y256 HydrophobicContact CB-CE2 4.22Å; E245-Y256 HydrophobicContact CB-CG 4.3Å; E245-Y256 HydrophobicContact CG-CE1 4.44Å; R246-Y256 HydrophobicContact CG-CD1 4.23Å; R249-Y256 HydrophobicContact CB-CD2 3.6Å; R249-Y256 HydrophobicContact CB-CE2 4.02Å; R249-Y256 HydrophobicContact CB-CG 4.45Å; R249-Y256 PolarHBondContact NH1-OH 3.17Å; R249-Y256 VanDerWaalsContact NH1-OH 3.1Å; Y256-E258 HydrophobicContact CD1-CG 4.37Å; Y256-E258 HydrophobicContact CE1-CG 4.04Å; Y256-P259 WeakPolarHBondContact OH-CD 3.43Å
257V83.6Confident78.8Confident123 Ų12380.8 Ų80.875%0.74543%0.434SS*.PPolyproline II helixtrans-88.7123.5173.9-177.80000109S255S255-V257 PolarHBondContact O-N 2.97Å
258E81.2Confident77.5Confident66 Ų6681.2 Ų81.231%0.30844%0.436SS..PPolyproline II helixtrans-67.6140176-63.7-171.7-151.100110.5Y241 K242 Y256 R363Y241-E258 WeakPolarHBondContact CE1-OE1 3.33Å; Y241-E258 WeakPolarHBondContact CE1-OE2 3.37Å; Y241-E258 PolarHBondContact OH-OE2 2.86Å; K242-E258 HydrophobicContact CD-CG 3.94Å; K242-E258 IonicContact NZ-OE2 2.84Å; K242-E258 PolarHBondContact NZ-OE2 2.93Å; Y256-E258 HydrophobicContact CD1-CG 4.37Å; Y256-E258 HydrophobicContact CE1-CG 4.04Å; E258-R363 IonicContact OE1-NH2 3.87Å; E258-R363 PolarHBondContact OE1-NH2 3.22Å
259P77.6Confident76.5Confident78 Ų7883.8 Ų83.851%0.50645%0.449SS..PPolyproline II helixtrans-63.6140.5172.726.3-32.5000109.6Y256 V261Y256-P259 WeakPolarHBondContact OH-CD 3.43Å; P259-V261 PolarHBondContact O-N 3.11Å; P259-V261 VanDerWaalsContact O-N 3.14Å
260I72.8Confident75.6Confident176 Ų17680.3 Ų80.390%0.90344%0.443SS*.  trans-62.8115.3173.8-57.9171.7000107.3
261V70.3Confident74.8Confident113 Ų11386.4 Ų86.469%0.68547%0.469SS*.PPolyproline II helixtrans-94.7134.7172.8-172.90000106.7P259P259-V261 PolarHBondContact O-N 3.11Å; P259-V261 VanDerWaalsContact O-N 3.14Å
262Q70.6Confident74Confident172 Ų17291.7 Ų91.780%0.80448%0.482SS*.PPolyproline II helixtrans-62.9136.8172.2-76.3-179-18.700108.8
263P71.4Confident73.4Confident60 Ų6087.9 Ų87.939%0.3947%0.465SS..PPolyproline II helixtrans-48.2134.5172.2-24.631.8000109.7F265 H426 S428P263-F265 PolarHBondContact O-N 3.42Å; P263-H426 WeakPolarHBondContact CB-O 3.34Å; P263-S428 WeakPolarHBondContact CG-OG 3.36Å
264P74.5Confident73.2Confident30 Ų3082 Ų8220%0.19543%0.434CS..PPolyproline II helixtrans-58.5141.6170.724.9-30000109D266 F357 F427P264-D266 PolarHBondContact O-N 3.39Å; P264-F357 HydrophobicContact CB-CD2 3.75Å; P264-F357 HydrophobicContact CB-CE2 3.94Å; P264-F357 HydrophobicContact CG-CD2 4.17Å; P264-F357 HydrophobicContact CG-CE2 4.4Å; P264-F427 HydrophobicContact CG-CD1 3.79Å; P264-F427 HydrophobicContact CG-CE1 3.75Å
265F69.9Low73.3Confident171 Ų17182.3 Ų82.375%0.7543%0.427SS*.PPolyproline II helixtrans-70.7122.1174-179.8-97.4000108.2P263 D267 F357P263-F265 PolarHBondContact O-N 3.42Å; F265-D267 HydrophobicContact CD1-CB 4.02Å; F265-D267 HydrophobicContact CE1-CB 3.54Å; F265-D267 HydrophobicContact CZ-CB 4.48Å; F265-F357 WeakPolarHBondContact O-CZ 3.12Å
266D68.8Low73.2Confident2 Ų280.7 Ų80.71%0.01142%0.419CS..  trans-88.3-36.4-166.4171.4-26.4000114.2P264 I268 F427 R429 Y431P264-D266 PolarHBondContact O-N 3.39Å; D266-I268 PolarHBondContact O-N 2.99Å; D266-I268 WeakPolarHBondContact OD1-CB 3.44Å; D266-I268 WeakPolarHBondContact OD1-CG1 3.42Å; D266-I268 PolarHBondContact OD1-N 3.12Å; D266-F427 HydrophobicContact CB-CB 4.1Å; D266-F427 HydrophobicContact CB-CD1 3.73Å; D266-F427 HydrophobicContact CB-CE1 4.46Å; D266-F427 HydrophobicContact CB-CG 4.12Å; D266-F427 WeakPolarHBondContact OD2-CG 3.41Å; D266-R429 IonicContact OD1-CZ 3.56Å; D266-R429 VanDerWaalsContact OD1-CZ 3.3Å; D266-R429 IonicContact OD1-NH1 3.26Å; D266-R429 PolarHBondContact OD1-NH1 2.89Å; D266-R429 IonicContact OD1-NH2 3.3Å; D266-R429 VanDerWaalsContact OD2-CD 3.29Å; D266-R429 WeakPolarHBondContact OD2-CD 3.18Å; D266-R429 IonicContact OD2-CZ 3.68Å; D266-R429 IonicContact OD2-NE 3.68Å; D266-R429 IonicContact OD2-NH1 3.56Å; D266-R429 PolarHBondContact OD2-NH1 2.98Å; D266-Y431 VanDerWaalsContact CG-OH 3.3Å; D266-Y431 PolarHBondContact OD1-OH 3.28Å; D266-Y431 PolarHBondContact OD2-OH 3.2Å
267D66.4Low73.4Confident124 Ų12479.4 Ų79.466%0.66341%0.414SS*.  trans50.8-16.8-178.6112.7-24.9000120.5F265 D269F265-D267 HydrophobicContact CD1-CB 4.02Å; F265-D267 HydrophobicContact CE1-CB 3.54Å; F265-D267 HydrophobicContact CZ-CB 4.48Å; D267-D269 PolarHBondContact O-N 2.9Å
268I65.5Low74Confident10 Ų1077 Ų775%0.05139%0.394CS..  trans-64.4134.2176.1-62.3176.2000109D266 P270 E356 R429D266-I268 PolarHBondContact O-N 2.99Å; D266-I268 WeakPolarHBondContact OD1-CB 3.44Å; D266-I268 WeakPolarHBondContact OD1-CG1 3.42Å; D266-I268 PolarHBondContact OD1-N 3.12Å; I268-P270 VanDerWaalsContact O-CD 3.32Å; I268-P270 WeakPolarHBondContact O-CD 3.25Å; I268-E356 WeakPolarHBondContact CD1-OE1 3.33Å; I268-E356 VanDerWaalsContact CD1-OE2 3.23Å; I268-E356 WeakPolarHBondContact CD1-OE2 3.44Å; I268-R429 PolarHBondContact O-NH1 3.37Å
269D63.9Low74.7Confident73 Ų7373.9 Ų73.939%0.3938%0.379SS..  trans-71.2117.4167.9-179.6-10.1000109.7D267 E271 Y272D267-D269 PolarHBondContact O-N 2.9Å; D269-E271 PolarHBondContact O-N 3.48Å; D269-E271 WeakPolarHBondContact OD1-CB 3.42Å; D269-E271 WeakPolarHBondContact OD1-CG 3.42Å; D269-E271 PolarHBondContact OD1-N 2.98Å; D269-Y272 HydrophobicContact CB-CD2 3.67Å; D269-Y272 HydrophobicContact CB-CE2 4.2Å; D269-Y272 PolarHBondContact O-N 2.92Å; D269-Y272 WeakPolarHBondContact OD2-CE2 3.42Å
270P64.3Low75.6Confident53 Ų5370.2 Ų70.234%0.34436%0.356SS..THydrogen-bonded Turntrans-55-19.7178.7-23.233.6000114.2I268 Y272 Y431I268-P270 VanDerWaalsContact O-CD 3.32Å; I268-P270 WeakPolarHBondContact O-CD 3.25Å; P270-Y272 VanDerWaalsContact C-N 3.34Å; P270-Y431 HydrophobicContact CB-CD1 3.93Å; P270-Y431 HydrophobicContact CB-CE1 3.94Å; P270-Y431 HydrophobicContact CG-CE1 4.26Å
271E63.1Low76.8Confident134 Ų13461.9 Ų61.963%0.62631%0.313SS*.THydrogen-bonded Turntrans-70-27.4176.5-60.3-142.1138.900113.6D269 R302D269-E271 PolarHBondContact O-N 3.48Å; D269-E271 WeakPolarHBondContact OD1-CB 3.42Å; D269-E271 WeakPolarHBondContact OD1-CG 3.42Å; D269-E271 PolarHBondContact OD1-N 2.98Å; E271-R302 IonicContact OE1-NH1 3.18Å
272Y64.4Low78Confident169 Ų16956.5 Ų56.566%0.66328%0.28SS*.THydrogen-bonded Turntrans-86.5-15.1-176.2-75-93.7000113.9D269 P270D269-Y272 HydrophobicContact CB-CD2 3.67Å; D269-Y272 HydrophobicContact CB-CE2 4.2Å; D269-Y272 PolarHBondContact O-N 2.92Å; D269-Y272 WeakPolarHBondContact OD2-CE2 3.42Å; P270-Y272 VanDerWaalsContact C-N 3.34Å
273G70.5Confident79.3Confident2 Ų248.4 Ų48.42%0.02124%0.242CC..  trans81.8175-177.300000114H275 C300G273-H275 PolarHBondContact O-ND1 3.13Å; G273-H275 VanDerWaalsContact O-ND1 3.16Å; G273-C300 CarbonylContact C-O 3.51Å; G273-C300 WeakPolarHBondContact CA-O 3.11Å
274L79.6Confident80.4Confident3 Ų345.6 Ų45.62%0.01622%0.224CC..EExtended strand (participates in β ladder)trans-79.5135.2-174.3-70164.9000110.7Y277 F299 C300 I310 V423 Y431L274-Y277 HydrophobicContact CB-CD2 4.46Å; L274-Y277 HydrophobicContact CB-CE2 3.85Å; L274-Y277 HydrophobicContact CD2-CE2 4.03Å; L274-Y277 HydrophobicContact CG-CE2 4.4Å; L274-F299 CarbonylContact O-C 3.46Å; L274-F299 WeakPolarHBondContact O-CA 3.48Å; L274-C300 PolarHBondContact N-O 3.45Å; L274-C300 PolarHBondContact O-N 2.91Å; L274-I310 HydrophobicContact CD1-CB 4.29Å; L274-I310 HydrophobicContact CD1-CD1 3.26Å; L274-I310 HydrophobicContact CD1-CG1 3.79Å; L274-I310 HydrophobicContact CD1-CG2 3.7Å; L274-V423 HydrophobicContact CD1-CG1 4.11Å; L274-V423 HydrophobicContact CD1-CG2 4.1Å; L274-V423 HydrophobicContact CD2-CG1 3.99Å; L274-Y431 HydrophobicContact CD2-CE1 4.33Å
275H85.6Confident81.4Confident82 Ų8244.7 Ų44.738%0.3822%0.217SC..EExtended strand (participates in β ladder)trans-148.5172-178.258.8-84.1000111.7G273 Y277 L298 F299G273-H275 PolarHBondContact O-ND1 3.13Å; G273-H275 VanDerWaalsContact O-ND1 3.16Å; H275-Y277 WeakPolarHBondContact O-CD2 3.48Å; H275-Y277 PolarHBondContact O-N 3.38Å; H275-L298 CarbonylContact C-O 3.55Å; H275-F299 HydrophobicContact CB-CB 3.88Å
276G86.8Confident82.3Confident23 Ų2336.8 Ų36.824%0.23718%0.183CC..EExtended strand (participates in β ladder)trans77.40.3176.400000115.4L298G276-L298 PolarHBondContact N-O 3.01Å
277Y91.9Very high83.4Confident4 Ų440.9 Ų40.92%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-64.5148.6179.6-77.8-101.7000111.6L274 H275 Q297 L298 L312 L353 L354 D355 F361 F427L274-Y277 HydrophobicContact CB-CD2 4.46Å; L274-Y277 HydrophobicContact CB-CE2 3.85Å; L274-Y277 HydrophobicContact CD2-CE2 4.03Å; L274-Y277 HydrophobicContact CG-CE2 4.4Å; H275-Y277 WeakPolarHBondContact O-CD2 3.48Å; H275-Y277 PolarHBondContact O-N 3.38Å; Y277-Q297 PolarHBondContact O-N 2.76Å; Y277-Q297 VanDerWaalsContact O-N 3.16Å; Y277-L298 PolarHBondContact N-O 3.11Å; Y277-L298 PolarHBondContact O-N 3.24Å; Y277-L312 HydrophobicContact CD1-CD1 4.22Å; Y277-L312 HydrophobicContact CG-CD1 4.17Å; Y277-L353 HydrophobicContact CD1-CD1 4.1Å; Y277-L353 HydrophobicContact CD1-CD2 4.35Å; Y277-L353 HydrophobicContact CD1-CG 4.13Å; Y277-L354 WeakPolarHBondContact CA-O 3.35Å; Y277-L354 VanDerWaalsContact CD1-O 3.3Å; Y277-L354 WeakPolarHBondContact CD1-O 3.42Å; Y277-D355 HydrophobicContact CE1-CB 4.42Å; Y277-F361 AromaticContact CE1-CD1 3.92Å; Y277-F361 HydrophobicContact CE1-CD1 3.92Å; Y277-F361 HydrophobicContact CE1-CD2 4.38Å; Y277-F361 HydrophobicContact CE1-CE1 4.12Å; Y277-F361 HydrophobicContact CE1-CG 4.08Å; Y277-F361 HydrophobicContact CE1-CZ 4.44Å; Y277-F427 WeakPolarHBondContact OH-CE2 3.24Å
278K95.2Very high84.5Confident72 Ų7237.8 Ų37.831%0.31320%0.196SC..EExtended strand (participates in β ladder)trans-125.8128.5175.8-57.7174.6-176.7166.40110.4F295 L353 L354K278-F295 CarbonylContact C-O 3.54Å; K278-F295 VanDerWaalsContact CA-O 3.3Å; K278-F295 WeakPolarHBondContact CA-O 3.48Å; K278-L353 WeakPolarHBondContact O-CA 3.38Å; K278-L354 HydrophobicContact CB-CB 4.19Å; K278-L354 HydrophobicContact CB-CD1 4.37Å; K278-L354 PolarHBondContact N-O 3.21Å; K278-L354 PolarHBondContact O-N 3.25Å
279L96.3Very high85.9Confident1 Ų142.1 Ų42.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-108.7129.1176.8177.168.6000109.2S294 F295 L298 A314 L351 L353 L414 V416L279-S294 CarbonylContact O-C 3.3Å; L279-S294 WeakPolarHBondContact O-CA 3.45Å; L279-F295 HydrophobicContact CB-CB 4.37Å; L279-F295 HydrophobicContact CB-CD2 4.46Å; L279-F295 HydrophobicContact CD2-CD2 4.13Å; L279-F295 HydrophobicContact CG-CD2 4.39Å; L279-F295 PolarHBondContact N-O 3.41Å; L279-F295 PolarHBondContact O-N 2.69Å; L279-L298 HydrophobicContact CB-CD1 3.45Å; L279-L298 VanDerWaalsContact CB-CD1 3.45Å; L279-L298 HydrophobicContact CD2-CD1 4.34Å; L279-A314 HydrophobicContact CD2-CB 3.61Å; L279-L351 HydrophobicContact CD1-CD1 3.77Å; L279-L351 HydrophobicContact CD1-CD2 3.76Å; L279-L351 HydrophobicContact CD1-CG 3.5Å; L279-L353 HydrophobicContact CB-CD1 4.36Å; L279-L353 HydrophobicContact CD1-CD1 4.41Å; L279-L414 HydrophobicContact CD2-CD2 3.99Å; L279-L414 HydrophobicContact CD2-CG 4.43Å; L279-V416 HydrophobicContact CD1-CG2 4Å; L279-V416 HydrophobicContact CD2-CG2 3.67Å
280H96.9Very high87.4Confident1 Ų138.9 Ų38.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-116.5129.6164.1-177.781.5000109.3T104 E144 V282 S292 E293 S294 L351 T352T104-H280 HydrophobicContact CG2-CB 4.33Å; E144-H280 IonicContact OE1-CE1 3.76Å; E144-H280 IonicContact OE1-NE2 2.86Å; H280-V282 WeakPolarHBondContact NE2-CG2 3.38Å; H280-S292 PolarHBondContact CE1-OG 3.46Å; H280-E293 WeakPolarHBondContact CA-O 3.45Å; H280-E293 PolarHBondContact ND1-O 3.31Å; H280-S294 PolarHBondContact ND1-OG 3.05Å; H280-L351 WeakPolarHBondContact O-CA 3.3Å; H280-T352 PolarHBondContact N-O 2.87Å; H280-T352 PolarHBondContact O-N 2.9Å
281I96.6Very high88.9Confident0 Ų036.8 Ų36.80%018%0.182CC..EExtended strand (participates in β ladder)trans-130.6135-179-168.5167.7000110.6S292 E293 F295 M349 S350 M399 L414I281-S292 WeakPolarHBondContact O-CA 3.49Å; I281-E293 HydrophobicContact CG2-CB 4.39Å; I281-E293 PolarHBondContact N-O 2.93Å; I281-E293 PolarHBondContact O-N 2.93Å; I281-F295 HydrophobicContact CG2-CE2 3.96Å; I281-M349 HydrophobicContact CD1-CG 4.07Å; I281-M349 HydrophobicContact CD1-SD 4.03Å; I281-M349 HydrophobicContact CG1-CG 4.23Å; I281-S350 CarbonylContact C-O 3.55Å; I281-S350 WeakPolarHBondContact CA-O 3.34Å; I281-M399 HydrophobicContact CD1-CE 3.37Å; I281-L414 HydrophobicContact CD1-CD1 4.06Å; I281-L414 HydrophobicContact CD1-CD2 3.96Å; I281-L414 HydrophobicContact CG2-CD2 3.94Å
282V96.6Very high90.5Very high1 Ų131.6 Ų31.61%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-125.1121175.2-173.40000108.3E144 T145 H280 H284 K289 M291 S350E144-V282 HydrophobicContact CB-CG2 4.31Å; T145-V282 HydrophobicContact CG2-CG2 4.35Å; H280-V282 WeakPolarHBondContact NE2-CG2 3.38Å; V282-H284 HydrophobicContact CG1-CB 4.45Å; V282-K289 HydrophobicContact CG1-CD 4.03Å; V282-K289 HydrophobicContact CG1-CG 4.04Å; V282-M291 WeakPolarHBondContact CA-O 3.36Å; V282-M291 WeakPolarHBondContact CG1-O 3.5Å; V282-S350 PolarHBondContact N-O 3.36Å; V282-S350 PolarHBondContact O-N 3.33Å
283L96.9Very high92Very high1 Ų126.9 Ų26.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-98.1126.9163.9-58.7-179.7000107.9L290 M291 L326 I348 M349 I368 M399L283-L290 HydrophobicContact CB-CB 4.11Å; L283-L290 WeakPolarHBondContact O-CA 3.23Å; L283-L290 WeakPolarHBondContact O-CB 3.29Å; L283-L290 PolarHBondContact O-N 2.78Å; L283-M291 HydrophobicContact CB-CB 4.04Å; L283-M291 HydrophobicContact CD1-CB 4.38Å; L283-M291 HydrophobicContact CD1-SD 4Å; L283-M291 HydrophobicContact CG-CB 4.32Å; L283-M291 HydrophobicContact CG-SD 4.33Å; L283-M291 PolarHBondContact N-O 2.92Å; L283-M291 PolarHBondContact O-N 2.71Å; L283-L326 HydrophobicContact CD1-CD2 4.1Å; L283-I348 WeakPolarHBondContact CA-O 2.96Å; L283-M349 HydrophobicContact CD2-CB 3.8Å; L283-M349 HydrophobicContact CD2-CG 3.93Å; L283-I368 HydrophobicContact CD2-CD1 4.15Å; L283-M399 HydrophobicContact CD1-CE 4.1Å; L283-M399 HydrophobicContact CD1-SD 3.83Å; L283-M399 HydrophobicContact CD2-CE 4.17Å; L283-M399 HydrophobicContact CG-CE 4.4Å
284H95.9Very high93.2Very high2 Ų229.2 Ų29.21%0.00916%0.161CC..EExtended strand (participates in β ladder)trans-146.8163.1176.866.694.8000109.7S143 S146 V282 C288 I348 S350S143-H284 PolarHBondContact OG-CE1 3.34Å; S143-H284 VanDerWaalsContact OG-CE1 3.31Å; S143-H284 PolarHBondContact OG-ND1 2.96Å; S146-H284 PolarHBondContact OG-NE2 2.89Å; S146-H284 VanDerWaalsContact OG-NE2 3.12Å; V282-H284 HydrophobicContact CG1-CB 4.45Å; H284-C288 WeakPolarHBondContact CA-O 3.21Å; H284-C288 WeakPolarHBondContact CB-O 3.37Å; H284-I348 PolarHBondContact N-O 2.87Å; H284-I348 WeakPolarHBondContact NE2-CG2 3.34Å; H284-I348 WeakPolarHBondContact O-CA 3.3Å; H284-I348 WeakPolarHBondContact O-CB 3.1Å; H284-I348 PolarHBondContact O-N 3.32Å; H284-S350 PolarHBondContact NE2-OG 3.38Å
285N93.4Very high94Very high10 Ų1030.5 Ų30.55%0.05317%0.166CC..  trans-109.1-166.616564.823.4000109.4V287 C288 V331 L332N285-V287 PolarHBondContact O-N 3.35Å; N285-V287 WeakPolarHBondContact OD1-CA 3.24Å; N285-V287 PolarHBondContact OD1-N 2.75Å; N285-C288 PolarHBondContact N-O 3.23Å; N285-C288 PolarHBondContact OD1-N 2.59Å; N285-C288 PolarHBondContact OD1-O 3Å; N285-V331 WeakPolarHBondContact CB-O 3.48Å; N285-V331 PolarHBondContact ND2-O 2.91Å; N285-L332 HydrophobicContact CB-CD1 4.38Å
286T90.8Very high94.3Very high6 Ų630.4 Ų30.44%0.03718%0.175CC..SBendtrans-70.5-4.4177.858.60000112.4W139 R141 I235 L332 P333W139-T286 HydrophobicContact CH2-CG2 3.82Å; W139-T286 HydrophobicContact CZ2-CG2 4.34Å; R141-T286 WeakPolarHBondContact CD-O 3.39Å; R141-T286 PolarHBondContact NH1-O 2.84Å; I235-T286 HydrophobicContact CD1-CG2 4.42Å; T286-L332 HydrophobicContact CG2-CD1 3.86Å; T286-L332 HydrophobicContact CG2-CG 4.31Å; T286-P333 WeakPolarHBondContact OG1-CG 3.39Å; T286-P333 PolarHBondContact OG1-O 3.01Å
287V90.4Very high94.4Very high87 Ų8736.8 Ų36.853%0.52720%0.198SC..SBendtrans-123.9-45.1-173.1176.30000114.4R141 N285 P333R141-V287 VanDerWaalsContact NH1-CA 3.3Å; N285-V287 PolarHBondContact O-N 3.35Å; N285-V287 WeakPolarHBondContact OD1-CA 3.24Å; N285-V287 PolarHBondContact OD1-N 2.75Å; V287-P333 HydrophobicContact CB-CG 4.24Å; V287-P333 HydrophobicContact CG2-CB 4.42Å; V287-P333 HydrophobicContact CG2-CG 3.6Å
288C90.2Very high94.5Very high60 Ų6037.1 Ų37.141%0.40520%0.201SC..SBendtrans-139.5163.3-174.265.10000112.1H284 N285H284-C288 WeakPolarHBondContact CA-O 3.21Å; H284-C288 WeakPolarHBondContact CB-O 3.37Å; N285-C288 PolarHBondContact N-O 3.23Å; N285-C288 PolarHBondContact OD1-N 2.59Å; N285-C288 PolarHBondContact OD1-O 3Å
289K95.3Very high94.2Very high101 Ų10139.4 Ų39.444%0.43921%0.211SC..EExtended strand (participates in β ladder)trans-88.2126.1173.8-170.5167.477.8158.60109.7E144 V282 S327E144-K289 IonicContact OE2-NZ 3.26Å; E144-K289 PolarHBondContact OE2-NZ 2.88Å; V282-K289 HydrophobicContact CG1-CD 4.03Å; V282-K289 HydrophobicContact CG1-CG 4.04Å; K289-S327 PolarHBondContact O-OG 3.11Å
290L95.1Very high93.7Very high5 Ų539.5 Ų39.53%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-90.1-38.7179.9-59.9173.7000111.7L283 S327 K329 P330 C347L283-L290 HydrophobicContact CB-CB 4.11Å; L283-L290 WeakPolarHBondContact O-CA 3.23Å; L283-L290 WeakPolarHBondContact O-CB 3.29Å; L283-L290 PolarHBondContact O-N 2.78Å; L290-S327 WeakPolarHBondContact CA-OG 3.38Å; L290-S327 PolarHBondContact O-N 3.2Å; L290-S327 PolarHBondContact O-OG 3.38Å; L290-K329 WeakPolarHBondContact CD2-O 3.31Å; L290-P330 HydrophobicContact CD1-CB 4.31Å; L290-C347 HydrophobicContact CD1-CB 3.82Å
291M95.8Very high93.1Very high8 Ų844 Ų444%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-156146.7-177.9179.6-173-172.400109.3V282 L283 E293 I315 I324 L326 V411V282-M291 WeakPolarHBondContact CA-O 3.36Å; V282-M291 WeakPolarHBondContact CG1-O 3.5Å; L283-M291 HydrophobicContact CB-CB 4.04Å; L283-M291 HydrophobicContact CD1-CB 4.38Å; L283-M291 HydrophobicContact CD1-SD 4Å; L283-M291 HydrophobicContact CG-CB 4.32Å; L283-M291 HydrophobicContact CG-SD 4.33Å; L283-M291 PolarHBondContact N-O 2.92Å; L283-M291 PolarHBondContact O-N 2.71Å; M291-E293 HydrophobicContact CE-CB 4.02Å; M291-E293 HydrophobicContact CE-CG 3.5Å; M291-E293 HydrophobicContact CG-CG 3.71Å; M291-E293 HydrophobicContact SD-CG 4.46Å; M291-I315 HydrophobicContact CE-CD1 4.12Å; M291-I324 HydrophobicContact CE-CB 3.87Å; M291-I324 HydrophobicContact CE-CD1 3.68Å; M291-I324 HydrophobicContact CE-CG1 4.2Å; M291-I324 HydrophobicContact CE-CG2 3.93Å; M291-I324 HydrophobicContact CG-CG2 4.39Å; M291-L326 HydrophobicContact CB-CD2 3.8Å; M291-L326 HydrophobicContact CG-CD2 4.43Å; M291-L326 HydrophobicContact SD-CD2 4.15Å; M291-V411 HydrophobicContact CE-CB 4.42Å; M291-V411 HydrophobicContact CE-CG2 4.27Å; M291-V411 HydrophobicContact SD-CG2 3.81Å
292S96.3Very high92.3Very high25 Ų2550.1 Ų50.118%0.17526%0.255CS..EExtended strand (participates in β ladder)trans-151.9111.3167.7169.80000108.8E144 H280 I281E144-S292 VanDerWaalsContact CD-OG 3.28Å; E144-S292 PolarHBondContact OE1-OG 3.34Å; E144-S292 WeakPolarHBondContact OE2-CB 3.36Å; E144-S292 PolarHBondContact OE2-OG 2.8Å; H280-S292 PolarHBondContact CE1-OG 3.46Å; I281-S292 WeakPolarHBondContact O-CA 3.49Å
293E96.6Very high91.4Very high71 Ų7154.5 Ų54.533%0.33229%0.292SS..EExtended strand (participates in β ladder)trans-137.4148.8-169-62-62157.900110.7H280 I281 M291 F295 I324H280-E293 WeakPolarHBondContact CA-O 3.45Å; H280-E293 PolarHBondContact ND1-O 3.31Å; I281-E293 HydrophobicContact CG2-CB 4.39Å; I281-E293 PolarHBondContact N-O 2.93Å; I281-E293 PolarHBondContact O-N 2.93Å; M291-E293 HydrophobicContact CE-CB 4.02Å; M291-E293 HydrophobicContact CE-CG 3.5Å; M291-E293 HydrophobicContact CG-CG 3.71Å; M291-E293 HydrophobicContact SD-CG 4.46Å; E293-F295 HydrophobicContact CB-CE2 3.71Å; E293-F295 HydrophobicContact CB-CZ 3.82Å; E293-I324 HydrophobicContact CB-CD1 4.21Å; E293-I324 HydrophobicContact CG-CD1 3.57Å; E293-I324 HydrophobicContact CG-CG2 4.22Å
294S96Very high90.5Very high50 Ų5059.7 Ų59.735%0.3532%0.316SS..EExtended strand (participates in β ladder)trans-127.5125-179.7-50.10000109.7L279 H280L279-S294 CarbonylContact O-C 3.3Å; L279-S294 WeakPolarHBondContact O-CA 3.45Å; H280-S294 PolarHBondContact ND1-OG 3.05Å
295F95.3Very high89.9Confident31 Ų3161.8 Ų61.814%0.13633%0.327CS..EExtended strand (participates in β ladder)trans-114128.8179.5-53.2-89.6000108.2K278 L279 I281 E293 L298 A314 I315 I324 L414K278-F295 CarbonylContact C-O 3.54Å; K278-F295 VanDerWaalsContact CA-O 3.3Å; K278-F295 WeakPolarHBondContact CA-O 3.48Å; L279-F295 HydrophobicContact CB-CB 4.37Å; L279-F295 HydrophobicContact CB-CD2 4.46Å; L279-F295 HydrophobicContact CD2-CD2 4.13Å; L279-F295 HydrophobicContact CG-CD2 4.39Å; L279-F295 PolarHBondContact N-O 3.41Å; L279-F295 PolarHBondContact O-N 2.69Å; I281-F295 HydrophobicContact CG2-CE2 3.96Å; E293-F295 HydrophobicContact CB-CE2 3.71Å; E293-F295 HydrophobicContact CB-CZ 3.82Å; F295-L298 HydrophobicContact CB-CD1 4.44Å; F295-L298 HydrophobicContact CB-CD2 4.07Å; F295-L298 HydrophobicContact CB-CG 4.42Å; F295-A314 HydrophobicContact CB-CB 4.14Å; F295-A314 HydrophobicContact CD1-CB 4Å; F295-A314 VanDerWaalsContact CD1-O 3.23Å; F295-A314 WeakPolarHBondContact CD1-O 3.28Å; F295-A314 HydrophobicContact CD2-CB 3.83Å; F295-A314 HydrophobicContact CE1-CB 4.39Å; F295-A314 WeakPolarHBondContact CE1-O 3.44Å; F295-A314 HydrophobicContact CE2-CB 4.24Å; F295-A314 HydrophobicContact CG-CB 3.71Å; F295-I315 HydrophobicContact CE1-CD1 4.26Å; F295-I315 HydrophobicContact CE1-CG1 3.63Å; F295-I315 HydrophobicContact CZ-CD1 3.82Å; F295-I315 HydrophobicContact CZ-CG1 3.66Å; F295-I324 HydrophobicContact CE1-CD1 4.3Å; F295-I324 HydrophobicContact CZ-CD1 3.92Å; F295-L414 HydrophobicContact CE2-CD2 3.98Å; F295-L414 HydrophobicContact CZ-CD2 4.45Å
296S92.8Very high89.3Confident80 Ų8064.5 Ų64.556%0.55935%0.346SS*.EExtended strand (participates in β ladder)trans-116157.4-178.659.70000111.3L298S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.91Å
297Q89.1Confident89Confident156 Ų15671.6 Ų71.673%0.72938%0.384SS*.EExtended strand (participates in β ladder)trans60.138.9178.6-51.5-166.35.500112.5Y277 F299Y277-Q297 PolarHBondContact O-N 2.76Å; Y277-Q297 VanDerWaalsContact O-N 3.16Å; Q297-F299 WeakPolarHBondContact O-CD1 3.22Å
298L92.2Very high88.9Confident12 Ų1269.2 Ų69.26%0.06338%0.377CS..EExtended strand (participates in β ladder)trans-66.8137.1169-58.9-177.8000108.7H275 G276 Y277 L279 F295 S296 L312 T313 A314H275-L298 CarbonylContact C-O 3.55Å; G276-L298 PolarHBondContact N-O 3.01Å; Y277-L298 PolarHBondContact N-O 3.11Å; Y277-L298 PolarHBondContact O-N 3.24Å; L279-L298 HydrophobicContact CB-CD1 3.45Å; L279-L298 VanDerWaalsContact CB-CD1 3.45Å; L279-L298 HydrophobicContact CD2-CD1 4.34Å; F295-L298 HydrophobicContact CB-CD1 4.44Å; F295-L298 HydrophobicContact CB-CD2 4.07Å; F295-L298 HydrophobicContact CB-CG 4.42Å; S296-L298 VanDerWaalsContact C-N 3.28Å; S296-L298 PolarHBondContact O-N 2.91Å; L298-L312 HydrophobicContact CB-CB 4.36Å; L298-L312 HydrophobicContact CB-CD2 4.16Å; L298-L312 HydrophobicContact CD1-CB 4.3Å; L298-T313 WeakPolarHBondContact CD2-O 3.46Å; L298-A314 HydrophobicContact CD1-CB 4.5Å; L298-A314 HydrophobicContact CD2-CB 4.3Å
299F89.3Confident88.9Confident119 Ų11968.9 Ų68.952%0.52237%0.368SS..EExtended strand (participates in β ladder)trans-141.3158.1-178.367.9-87.4000111L274 H275 Q297 H301L274-F299 CarbonylContact O-C 3.46Å; L274-F299 WeakPolarHBondContact O-CA 3.48Å; H275-F299 HydrophobicContact CB-CB 3.88Å; Q297-F299 WeakPolarHBondContact O-CD1 3.22Å; F299-H301 AromaticContact CD2-NE2 3.78Å; F299-H301 AromaticContact CE2-CD2 3.78Å; F299-H301 AromaticContact CE2-NE2 3.35Å; F299-H301 WeakPolarHBondContact CE2-NE2 3.48Å
300C87.3Confident88.6Confident4 Ų464.2 Ų64.23%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-140.4117.6174.1-169.50000108.5G273 L274 I310 Q311 L312G273-C300 CarbonylContact C-O 3.51Å; G273-C300 WeakPolarHBondContact CA-O 3.11Å; L274-C300 PolarHBondContact N-O 3.45Å; L274-C300 PolarHBondContact O-N 2.91Å; C300-I310 HydrophobicContact CB-CG2 3.52Å; C300-Q311 VanDerWaalsContact CB-O 3.31Å; C300-Q311 WeakPolarHBondContact CB-O 3.2Å; C300-Q311 PolarHBondContact SG-O 3.04Å; C300-L312 HydrophobicContact CB-CD2 4.19Å
301H83.3Confident88.5Confident96 Ų9667.2 Ų67.244%0.44436%0.361SS..  trans-71.1147.9171.2-65-60.8000110.3F299 A303 H304F299-H301 AromaticContact CD2-NE2 3.78Å; F299-H301 AromaticContact CE2-CD2 3.78Å; F299-H301 AromaticContact CE2-NE2 3.35Å; F299-H301 WeakPolarHBondContact CE2-NE2 3.48Å; H301-A303 PolarHBondContact O-N 2.86Å; H301-A303 VanDerWaalsContact O-N 3.1Å; H301-H304 WeakPolarHBondContact O-CB 3.41Å; H301-H304 PolarHBondContact O-N 3.19Å
302R78.9Confident88.4Confident127 Ų12766.9 Ų66.948%0.47936%0.36SS..G310 helixtrans-51.5-36.9178.6-172.1177.8-176.7-177.25.4113.5E271 H304 I305E271-R302 IonicContact OE1-NH1 3.18Å; R302-H304 PolarHBondContact O-N 2.84Å; R302-I305 WeakPolarHBondContact O-CB 3.43Å; R302-I305 PolarHBondContact O-N 2.8Å; R302-I305 VanDerWaalsContact O-N 3.13Å
303A78.9Confident88.4Confident93 Ų9368.5 Ų68.577%0.76937%0.368SS*.G310 helixtrans-64-17.8177.900000114.3H301H301-A303 PolarHBondContact O-N 2.86Å; H301-A303 VanDerWaalsContact O-N 3.1Å
304H78.6Confident88.3Confident110 Ų11065.4 Ų65.451%0.50936%0.355SS..G310 helixtrans-101.55.5178.6-56.1140000112.9H301 R302H301-H304 WeakPolarHBondContact O-CB 3.41Å; H301-H304 PolarHBondContact O-N 3.19Å; R302-H304 PolarHBondContact O-N 2.84Å
305I82.8Confident88.3Confident46 Ų4663 Ų6324%0.23634%0.339CS..  trans-81.9115.9169.6-57.3177.4000107.2R302 W309 I310 V420R302-I305 WeakPolarHBondContact O-CB 3.43Å; R302-I305 PolarHBondContact O-N 2.8Å; R302-I305 VanDerWaalsContact O-N 3.13Å; I305-W309 WeakPolarHBondContact CA-O 3.43Å; I305-I310 HydrophobicContact CD1-CG1 4.16Å; I305-I310 HydrophobicContact CG1-CG1 4.05Å; I305-I310 HydrophobicContact CG2-CG1 4.29Å; I305-V420 HydrophobicContact CG2-CG2 3.71Å
306S81.4Confident88.2Confident67 Ų6763.5 Ų63.547%0.46935%0.345SS..BIsolated β-bridgetrans-135.3140.5-177.2590000110.5G308 W309S306-G308 PolarHBondContact O-N 3.36Å; S306-G308 VanDerWaalsContact O-N 3.09Å; S306-W309 PolarHBondContact N-O 3.27Å; S306-W309 VanDerWaalsContact N-O 3.16Å; S306-W309 PolarHBondContact O-N 2.71Å
307D83.6Confident88Confident156 Ų15662.6 Ų62.683%0.83433%0.33SS*.THydrogen-bonded Turntrans53.831.2175.4-56.1-40.5000114.6W309D307-W309 VanDerWaalsContact C-N 3.29Å; D307-W309 PolarHBondContact O-N 2.85Å
308G87.3Confident88Confident37 Ų3759.7 Ų59.738%0.38133%0.332SS..THydrogen-bonded Turntrans76.713.5-178.400000114.5S306 S419 V420S306-G308 PolarHBondContact O-N 3.36Å; S306-G308 VanDerWaalsContact O-N 3.09Å; G308-S419 WeakPolarHBondContact O-CA 3.35Å; G308-V420 WeakPolarHBondContact O-CG2 3.22Å; G308-V420 PolarHBondContact O-N 3.22Å
309W90.4Very high87.8Confident53 Ų5361.8 Ų61.820%0.20134%0.344CS..EExtended strand (participates in β ladder)trans-117.1139.6178.5-6697.4000112.1I305 S306 D307 Q396 Y417 V418I305-W309 WeakPolarHBondContact CA-O 3.43Å; S306-W309 PolarHBondContact N-O 3.27Å; S306-W309 VanDerWaalsContact N-O 3.16Å; S306-W309 PolarHBondContact O-N 2.71Å; D307-W309 VanDerWaalsContact C-N 3.29Å; D307-W309 PolarHBondContact O-N 2.85Å; W309-Q396 HydrophobicContact CE3-CG 4.24Å; W309-Q396 HydrophobicContact CH2-CG 3.59Å; W309-Q396 HydrophobicContact CZ2-CG 4.11Å; W309-Q396 HydrophobicContact CZ3-CG 3.67Å; W309-Y417 HydrophobicContact CB-CD1 4.44Å; W309-V418 VanDerWaalsContact CE3-C 3.49Å
310I90.4Very high87.8Confident2 Ų260.2 Ų60.21%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-105.2121.6176-65.9144.3000107.9L274 C300 I305 L312 Y417 V418 V420 V423L274-I310 HydrophobicContact CD1-CB 4.29Å; L274-I310 HydrophobicContact CD1-CD1 3.26Å; L274-I310 HydrophobicContact CD1-CG1 3.79Å; L274-I310 HydrophobicContact CD1-CG2 3.7Å; C300-I310 HydrophobicContact CB-CG2 3.52Å; I305-I310 HydrophobicContact CD1-CG1 4.16Å; I305-I310 HydrophobicContact CG1-CG1 4.05Å; I305-I310 HydrophobicContact CG2-CG1 4.29Å; I310-L312 HydrophobicContact CG2-CD2 4.46Å; I310-Y417 CarbonylContact O-C 3.45Å; I310-Y417 VanDerWaalsContact O-CA 3.23Å; I310-Y417 WeakPolarHBondContact O-CA 3.49Å; I310-V418 HydrophobicContact CB-CB 4.47Å; I310-V418 WeakPolarHBondContact CB-O 3.4Å; I310-V418 PolarHBondContact N-O 2.62Å; I310-V418 PolarHBondContact O-N 3.35Å; I310-V420 HydrophobicContact CD1-CB 4.38Å; I310-V420 HydrophobicContact CD1-CG2 3.72Å; I310-V420 HydrophobicContact CG1-CG2 3.82Å; I310-V423 HydrophobicContact CD1-CB 4.26Å; I310-V423 HydrophobicContact CD1-CG2 3.59Å
311Q92.9Very high87.9Confident68 Ų6864.7 Ų64.732%0.31838%0.379SS..EExtended strand (participates in β ladder)trans-89.6121.1-179.7-172.9179.7-26.900111.8C300 T313 V415 Y417C300-Q311 VanDerWaalsContact CB-O 3.31Å; C300-Q311 WeakPolarHBondContact CB-O 3.2Å; C300-Q311 PolarHBondContact SG-O 3.04Å; Q311-T313 PolarHBondContact NE2-OG1 3.38Å; Q311-T313 VanDerWaalsContact NE2-OG1 3.08Å; Q311-V415 HydrophobicContact CG-CG1 3.34Å; Q311-Y417 HydrophobicContact CB-CD1 3.96Å; Q311-Y417 HydrophobicContact CB-CE1 3.79Å; Q311-Y417 HydrophobicContact CG-CD1 4.12Å; Q311-Y417 HydrophobicContact CG-CE1 3.59Å
312L93.9Very high88.3Confident2 Ų263.4 Ų63.41%0.0137%0.373CS..EExtended strand (participates in β ladder)trans-112.8104.7170.6-60.1175.6000109.6Y277 L298 C300 I310 L353 V416 V418Y277-L312 HydrophobicContact CD1-CD1 4.22Å; Y277-L312 HydrophobicContact CG-CD1 4.17Å; L298-L312 HydrophobicContact CB-CB 4.36Å; L298-L312 HydrophobicContact CB-CD2 4.16Å; L298-L312 HydrophobicContact CD1-CB 4.3Å; C300-L312 HydrophobicContact CB-CD2 4.19Å; I310-L312 HydrophobicContact CG2-CD2 4.46Å; L312-L353 HydrophobicContact CD1-CD1 4.08Å; L312-L353 HydrophobicContact CD1-CD2 4.11Å; L312-V416 WeakPolarHBondContact CA-O 3.3Å; L312-V416 WeakPolarHBondContact CB-O 3.48Å; L312-V416 PolarHBondContact N-O 3.01Å; L312-V416 PolarHBondContact O-N 2.83Å; L312-V418 HydrophobicContact CD1-CG2 4.15Å
313T94.8Very high89Confident58 Ų5858.5 Ų58.536%0.35636%0.356SS..EExtended strand (participates in β ladder)trans-88.6114.6-179.3-570000110.2L298 Q311 V415L298-T313 WeakPolarHBondContact CD2-O 3.46Å; Q311-T313 PolarHBondContact NE2-OG1 3.38Å; Q311-T313 VanDerWaalsContact NE2-OG1 3.08Å; T313-V415 HydrophobicContact CG2-CG2 4.34Å
314A95.6Very high89.8Confident7 Ų755.4 Ų55.46%0.05833%0.326CS..EExtended strand (participates in β ladder)trans-96.4-37.8179.500000113L279 F295 L298 L414L279-A314 HydrophobicContact CD2-CB 3.61Å; F295-A314 HydrophobicContact CB-CB 4.14Å; F295-A314 HydrophobicContact CD1-CB 4Å; F295-A314 VanDerWaalsContact CD1-O 3.23Å; F295-A314 WeakPolarHBondContact CD1-O 3.28Å; F295-A314 HydrophobicContact CD2-CB 3.83Å; F295-A314 HydrophobicContact CE1-CB 4.39Å; F295-A314 WeakPolarHBondContact CE1-O 3.44Å; F295-A314 HydrophobicContact CE2-CB 4.24Å; F295-A314 HydrophobicContact CG-CB 3.71Å; L298-A314 HydrophobicContact CD1-CB 4.5Å; L298-A314 HydrophobicContact CD2-CB 4.3Å; A314-L414 HydrophobicContact CB-CB 4.34Å; A314-L414 HydrophobicContact CB-CD2 3.98Å; A314-L414 HydrophobicContact CB-CG 4Å; A314-L414 PolarHBondContact N-O 3.1Å
315I95.6Very high90.6Very high0 Ų055 Ų550%032%0.324CS..EExtended strand (participates in β ladder)trans-127.4120.3172-59.6169.7000107.1M291 F295 Q322 I324 V411 S413 L414M291-I315 HydrophobicContact CE-CD1 4.12Å; F295-I315 HydrophobicContact CE1-CD1 4.26Å; F295-I315 HydrophobicContact CE1-CG1 3.63Å; F295-I315 HydrophobicContact CZ-CD1 3.82Å; F295-I315 HydrophobicContact CZ-CG1 3.66Å; I315-Q322 HydrophobicContact CG2-CB 4.03Å; I315-Q322 WeakPolarHBondContact CG2-O 3.27Å; I315-I324 HydrophobicContact CD1-CD1 3.94Å; I315-I324 HydrophobicContact CD1-CG1 4.09Å; I315-V411 HydrophobicContact CD1-CB 4.28Å; I315-V411 HydrophobicContact CD1-CG1 3.71Å; I315-S413 WeakPolarHBondContact O-CA 3.31Å; I315-L414 HydrophobicContact CB-CB 3.91Å; I315-L414 HydrophobicContact CD1-CB 3.95Å; I315-L414 HydrophobicContact CD1-CD2 4.45Å; I315-L414 HydrophobicContact CG1-CB 3.99Å; I315-L414 PolarHBondContact N-O 3.01Å; I315-L414 VanDerWaalsContact N-O 3.11Å; I315-L414 PolarHBondContact O-N 2.86Å
316S92.4Very high91.2Very high40 Ų4052.9 Ų52.928%0.2831%0.313SS..  trans-89.8129.8175.1-179.70000110.8A318 D319 H323S316-A318 PolarHBondContact O-N 2.82Å; S316-A318 PolarHBondContact OG-N 3.39Å; S316-D319 PolarHBondContact O-N 3.37Å; S316-D319 VanDerWaalsContact O-N 3.08Å; S316-H323 PolarHBondContact O-NE2 3.14Å
317R88.4Confident91.7Very high61 Ų6154 Ų5423%0.2332%0.321CS..THydrogen-bonded Turntrans-59.5-27.8173.3179.2175.1-77.4-90.98.9113.7D319 H323 Q400 V412R317-D319 VanDerWaalsContact C-N 3.28Å; R317-H323 PolarHBondContact O-NE2 3.33Å; R317-Q400 VanDerWaalsContact CZ-OE1 3.27Å; R317-Q400 VanDerWaalsContact NH2-CB 3.31Å; R317-V412 WeakPolarHBondContact CA-O 3.49Å; R317-V412 PolarHBondContact N-O 3.03Å
318A88.9Confident92.1Very high95 Ų9547.5 Ų47.579%0.78529%0.291SS*.THydrogen-bonded Turntrans-78.8-13.1-179.800000113.1S316S316-A318 PolarHBondContact O-N 2.82Å; S316-A318 PolarHBondContact OG-N 3.39Å
319D88.7Confident92.4Very high57 Ų5749.7 Ų49.731%0.30529%0.29SS..  trans-115.792.4-177.4-174.6-3.5000110.6S316 R317 S321 Q322 H323S316-D319 PolarHBondContact O-N 3.37Å; S316-D319 VanDerWaalsContact O-N 3.08Å; R317-D319 VanDerWaalsContact C-N 3.28Å; D319-S321 PolarHBondContact O-N 2.94Å; D319-S321 VanDerWaalsContact O-N 3.08Å; D319-S321 WeakPolarHBondContact OD1-CB 3.49Å; D319-S321 PolarHBondContact OD1-N 3.37Å; D319-S321 PolarHBondContact OD1-OG 3.17Å; D319-S321 PolarHBondContact OD2-OG 3.08Å; D319-Q322 HydrophobicContact CB-CG 4.08Å; D319-Q322 WeakPolarHBondContact O-CB 3.43Å; D319-Q322 PolarHBondContact O-N 2.82Å; D319-Q322 WeakPolarHBondContact OD2-CG 3.41Å; D319-Q322 PolarHBondContact OD2-NE2 3.43Å; D319-H323 PolarHBondContact O-CD2 2.91Å; D319-H323 VanDerWaalsContact O-CD2 3.31Å; D319-H323 PolarHBondContact O-NE2 3.49Å
320S88.7Confident92.5Very high86 Ų8647.2 Ų47.260%0.60128%0.281SS*.G310 helixtrans-62.1-17.5-179.361.20000114.3Q322 H323S320-Q322 PolarHBondContact O-N 3.35Å; S320-H323 PolarHBondContact O-N 3.07Å
321S89.8Confident92.7Very high98 Ų9848.1 Ų48.169%0.68529%0.286SS*.G310 helixtrans-71.5-20.8174.877.50000113D319D319-S321 PolarHBondContact O-N 2.94Å; D319-S321 VanDerWaalsContact O-N 3.08Å; D319-S321 WeakPolarHBondContact OD1-CB 3.49Å; D319-S321 PolarHBondContact OD1-N 3.37Å; D319-S321 PolarHBondContact OD1-OG 3.17Å; D319-S321 PolarHBondContact OD2-OG 3.08Å
322Q91.8Very high92.8Very high69 Ų6945 Ų4532%0.32227%0.272SS..G310 helixtrans-87.7-7.5176.8-61.417710.900112.9I315 D319 S320 I324I315-Q322 HydrophobicContact CG2-CB 4.03Å; I315-Q322 WeakPolarHBondContact CG2-O 3.27Å; D319-Q322 HydrophobicContact CB-CG 4.08Å; D319-Q322 WeakPolarHBondContact O-CB 3.43Å; D319-Q322 PolarHBondContact O-N 2.82Å; D319-Q322 WeakPolarHBondContact OD2-CG 3.41Å; D319-Q322 PolarHBondContact OD2-NE2 3.43Å; S320-Q322 PolarHBondContact O-N 3.35Å; Q322-I324 VanDerWaalsContact O-CG1 3.23Å; Q322-I324 WeakPolarHBondContact O-CG1 3.47Å
323H94.3Very high92.9Very high23 Ų2346.1 Ų46.111%0.10628%0.28CS..  trans-74.9134.5-175-63.3177.3000111.2S316 R317 D319 S320 Y381 V411 V412S316-H323 PolarHBondContact O-NE2 3.14Å; R317-H323 PolarHBondContact O-NE2 3.33Å; D319-H323 PolarHBondContact O-CD2 2.91Å; D319-H323 VanDerWaalsContact O-CD2 3.31Å; D319-H323 PolarHBondContact O-NE2 3.49Å; S320-H323 PolarHBondContact O-N 3.07Å; H323-Y381 AromaticContact CE1-CE2 3.51Å; H323-Y381 AromaticContact ND1-CE2 3.32Å; H323-Y381 VanDerWaalsContact ND1-CE2 3.32Å; H323-Y381 WeakPolarHBondContact ND1-CE2 3.07Å; H323-Y381 AromaticContact ND1-CZ 3.35Å; H323-Y381 PolarHBondContact ND1-OH 3.35Å; H323-V411 WeakPolarHBondContact CA-O 3.31Å; H323-V412 PolarHBondContact NE2-O 3.41Å
324I95.2Very high92.8Very high28 Ų2843.9 Ų43.914%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-117.9124.7-167.5-52.5-170.9000110.4M291 E293 F295 I315 Q322 F410 V411M291-I324 HydrophobicContact CE-CB 3.87Å; M291-I324 HydrophobicContact CE-CD1 3.68Å; M291-I324 HydrophobicContact CE-CG1 4.2Å; M291-I324 HydrophobicContact CE-CG2 3.93Å; M291-I324 HydrophobicContact CG-CG2 4.39Å; E293-I324 HydrophobicContact CB-CD1 4.21Å; E293-I324 HydrophobicContact CG-CD1 3.57Å; E293-I324 HydrophobicContact CG-CG2 4.22Å; F295-I324 HydrophobicContact CE1-CD1 4.3Å; F295-I324 HydrophobicContact CZ-CD1 3.92Å; I315-I324 HydrophobicContact CD1-CD1 3.94Å; I315-I324 HydrophobicContact CD1-CG1 4.09Å; Q322-I324 VanDerWaalsContact O-CG1 3.23Å; Q322-I324 WeakPolarHBondContact O-CG1 3.47Å; I324-F410 CarbonylContact O-C 3.6Å; I324-F410 VanDerWaalsContact O-CA 3.31Å; I324-F410 WeakPolarHBondContact O-CA 3.4Å; I324-V411 PolarHBondContact N-O 2.82Å; I324-V411 PolarHBondContact O-N 3.15Å
325Q94.8Very high92.6Very high101 Ų10148.9 Ų48.947%0.47229%0.287SS..EExtended strand (participates in β ladder)trans-78.3129.9176.6-163.4-169.3-49.500110.8Y409 F410Q325-Y409 WeakPolarHBondContact CA-O 3.41Å; Q325-F410 HydrophobicContact CB-CD1 3.83Å; Q325-F410 HydrophobicContact CB-CE1 3.54Å; Q325-F410 HydrophobicContact CB-CZ 4.12Å; Q325-F410 HydrophobicContact CG-CD1 4.13Å; Q325-F410 HydrophobicContact CG-CE1 3.68Å; Q325-F410 HydrophobicContact CG-CE2 4.22Å; Q325-F410 HydrophobicContact CG-CZ 3.73Å
326L95.4Very high92.2Very high2 Ų249 Ų491%0.0129%0.287CS..  trans-69.7143.7169.6-58.4-170.4000110.9L283 M291 G328 L401 Y409 V411L283-L326 HydrophobicContact CD1-CD2 4.1Å; M291-L326 HydrophobicContact CB-CD2 3.8Å; M291-L326 HydrophobicContact CG-CD2 4.43Å; M291-L326 HydrophobicContact SD-CD2 4.15Å; L326-G328 PolarHBondContact O-N 3.41Å; L326-L401 HydrophobicContact CD1-CD2 3.78Å; L326-Y409 PolarHBondContact N-O 3.46Å; L326-V411 HydrophobicContact CD2-CG2 3.83Å; L326-V411 HydrophobicContact CG-CG2 4.47Å
327S93.6Very high91.8Very high91 Ų9153.7 Ų53.764%0.63631%0.305SS*.SBendtrans-69.6-19.8177.472.30000113.2K289 L290K289-S327 PolarHBondContact O-OG 3.11Å; L290-S327 WeakPolarHBondContact CA-OG 3.38Å; L290-S327 PolarHBondContact O-N 3.2Å; L290-S327 PolarHBondContact O-OG 3.38Å
328G91.6Very high91.8Very high20 Ų2055.6 Ų55.621%0.20633%0.334CS..SBendtrans-161.8-174.1-176.500000112.7L326L326-G328 PolarHBondContact O-N 3.41Å
329K92.4Very high91.8Very high83 Ų8354.8 Ų54.836%0.36132%0.316SS..  trans-74.9139.5178.9-58.1-168.5-174.9-163.80110.9L290 V331 A406 Y409L290-K329 WeakPolarHBondContact CD2-O 3.31Å; K329-V331 HydrophobicContact CB-CG1 3.82Å; K329-V331 PolarHBondContact O-N 3.14Å; K329-A406 WeakPolarHBondContact CE-O 3.42Å; K329-A406 PolarHBondContact NZ-O 2.8Å; K329-Y409 HydrophobicContact CB-CE2 4.36Å; K329-Y409 HydrophobicContact CG-CE2 4.15Å
330P92.9Very high92Very high1 Ų158.5 Ų58.51%0.00633%0.331CS..  trans-7679.7174.731.9-32.8000110L290 N345 C346 M370 Y409L290-P330 HydrophobicContact CD1-CB 4.31Å; P330-N345 CarbonylContact O-C 3.6Å; P330-N345 VanDerWaalsContact O-CA 3.27Å; P330-N345 WeakPolarHBondContact O-CA 3.35Å; P330-N345 PolarHBondContact O-N 3.38Å; P330-N345 VanDerWaalsContact O-N 3.08Å; P330-C346 CarbonylContact C-O 3.5Å; P330-C346 VanDerWaalsContact C-O 3.3Å; P330-C346 PolarHBondContact O-N 3.04Å; P330-M370 HydrophobicContact CB-CE 4.48Å; P330-M370 HydrophobicContact CB-SD 3.31Å; P330-M370 WeakPolarHBondContact CB-SD 3.3Å; P330-M370 HydrophobicContact CG-CE 3.76Å; P330-M370 HydrophobicContact CG-SD 3.18Å; P330-M370 WeakPolarHBondContact CG-SD 3.49Å; P330-Y409 HydrophobicContact CG-CD1 4.11Å; P330-Y409 HydrophobicContact CG-CE1 4Å; P330-Y409 HydrophobicContact CG-CG 4.43Å
331V94.9Very high92.3Very high20 Ų2055 Ų5512%0.12131%0.309CS..  trans-126.2148.7179.6-54.30000110.7N285 K329 P333 T342 V343 E344 C346N285-V331 WeakPolarHBondContact CB-O 3.48Å; N285-V331 PolarHBondContact ND2-O 2.91Å; K329-V331 HydrophobicContact CB-CG1 3.82Å; K329-V331 PolarHBondContact O-N 3.14Å; V331-P333 VanDerWaalsContact O-CD 3.29Å; V331-P333 WeakPolarHBondContact O-CD 3.3Å; V331-T342 HydrophobicContact CB-CG2 3.46Å; V331-T342 VanDerWaalsContact CB-CG2 3.46Å; V331-T342 HydrophobicContact CG1-CG2 4.19Å; V331-T342 HydrophobicContact CG2-CG2 3.57Å; V331-V343 CarbonylContact C-O 3.54Å; V331-V343 WeakPolarHBondContact CA-O 3.32Å; V331-E344 WeakPolarHBondContact CG1-OE2 3.36Å; V331-C346 CarbonylContact C-O 3.45Å; V331-C346 WeakPolarHBondContact CA-O 3.3Å; V331-C346 PolarHBondContact N-O 3.46Å
332L95.8Very high92.5Very high2 Ų253.2 Ų53.21%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-109.496.7178-163.578000109.7L213 I221 N285 T286 V343 C346 I348L213-L332 HydrophobicContact CD1-CD2 3.67Å; I221-L332 HydrophobicContact CD1-CD2 3.62Å; N285-L332 HydrophobicContact CB-CD1 4.38Å; T286-L332 HydrophobicContact CG2-CD1 3.86Å; T286-L332 HydrophobicContact CG2-CG 4.31Å; L332-V343 PolarHBondContact N-O 3.31Å; L332-V343 PolarHBondContact O-N 2.95Å; L332-C346 HydrophobicContact CB-CB 3.99Å; L332-C346 PolarHBondContact N-O 3.05Å; L332-I348 HydrophobicContact CD1-CD1 4.17Å; L332-I348 HydrophobicContact CD1-CG1 3.92Å
333P94.9Very high92.7Very high27 Ų2750 Ų5018%0.17528%0.279CS..EExtended strand (participates in β ladder)trans-72.6144.3174.625.4-24.3000110.3T286 V287 V331 G341T286-P333 WeakPolarHBondContact OG1-CG 3.39Å; T286-P333 PolarHBondContact OG1-O 3.01Å; V287-P333 HydrophobicContact CB-CG 4.24Å; V287-P333 HydrophobicContact CG2-CB 4.42Å; V287-P333 HydrophobicContact CG2-CG 3.6Å; V331-P333 VanDerWaalsContact O-CD 3.29Å; V331-P333 WeakPolarHBondContact O-CD 3.3Å; P333-G341 WeakPolarHBondContact CA-O 3.32Å
334W93.6Very high92.7Very high11 Ų1153.6 Ų53.64%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-134.7150.5174.664.1-88.3000109.6D208 F210 V211 W225 F233 C336 L339 Q340 G341D208-W334 PolarHBondContact OD2-NE1 3.32Å; F210-W334 HydrophobicContact CB-CH2 3.95Å; F210-W334 HydrophobicContact CB-CZ2 3.86Å; F210-W334 HydrophobicContact CD2-CH2 4.1Å; F210-W334 HydrophobicContact CD2-CZ2 4.02Å; F210-W334 HydrophobicContact CG-CH2 4.43Å; F210-W334 HydrophobicContact CG-CZ2 4.44Å; V211-W334 HydrophobicContact CB-CZ2 4.34Å; V211-W334 HydrophobicContact CG1-CD2 4.35Å; V211-W334 HydrophobicContact CG1-CE3 4.44Å; V211-W334 HydrophobicContact CG1-CH2 3.79Å; V211-W334 HydrophobicContact CG1-CZ2 3.66Å; V211-W334 HydrophobicContact CG1-CZ3 4.19Å; V211-W334 HydrophobicContact CG2-CD2 4.11Å; V211-W334 VanDerWaalsContact CG2-CE2 3.45Å; V211-W334 HydrophobicContact CG2-CG 4.34Å; V211-W334 HydrophobicContact CG2-CZ2 3.82Å; W225-W334 HydrophobicContact CH2-CH2 4.03Å; W225-W334 AromaticContact CH2-CZ3 3.8Å; W225-W334 HydrophobicContact CH2-CZ3 3.8Å; W225-W334 AromaticContact CZ3-CH2 3.72Å; W225-W334 HydrophobicContact CZ3-CH2 3.72Å; W225-W334 AromaticContact CZ3-CZ3 3.96Å; W225-W334 HydrophobicContact CZ3-CZ3 3.96Å; F233-W334 HydrophobicContact CD1-CB 4.46Å; F233-W334 HydrophobicContact CD1-CE3 4.21Å; F233-W334 HydrophobicContact CE1-CB 3.63Å; F233-W334 AromaticContact CE1-CD2 3.71Å; F233-W334 HydrophobicContact CE1-CD2 3.71Å; F233-W334 AromaticContact CE1-CE3 3.76Å; F233-W334 HydrophobicContact CE1-CE3 3.76Å; F233-W334 AromaticContact CE1-CG 3.66Å; F233-W334 HydrophobicContact CE1-CG 3.66Å; F233-W334 HydrophobicContact CE2-CB 4.47Å; F233-W334 HydrophobicContact CZ-CB 3.63Å; F233-W334 HydrophobicContact CZ-CD2 4.39Å; F233-W334 AromaticContact CZ-CG 3.87Å; F233-W334 HydrophobicContact CZ-CG 3.87Å; W334-C336 HydrophobicContact CE3-CB 4.26Å; W334-C336 HydrophobicContact CZ3-CB 4.18Å; W334-L339 HydrophobicContact CH2-CB 4.16Å; W334-L339 HydrophobicContact CZ3-CB 4.1Å; W334-Q340 WeakPolarHBondContact O-CA 3.32Å; W334-G341 PolarHBondContact N-O 2.66Å; W334-G341 PolarHBondContact O-N 2.92Å
335Q90.8Very high92.6Very high111 Ų11154.3 Ų54.352%0.51930%0.3SS..EExtended strand (participates in β ladder)trans-142.2125.7175.8-176.6179.76.500107.9C152 L339 Q340C152-Q335 PolarHBondContact SG-O 2.98Å; Q335-L339 WeakPolarHBondContact CA-O 3.49Å; Q335-Q340 HydrophobicContact CB-CB 4.35Å; Q335-Q340 HydrophobicContact CG-CB 4.27Å
336C87.8Confident92.6Very high2 Ų249.5 Ų49.51%0.01428%0.278CS..EExtended strand (participates in β ladder)trans-132.8112175.6-1790000107.9C152 W225 A232 W334 A338 L339C152-C336 HydrophobicContact CB-CB 4.3Å; C152-C336 VanDerWaalsContact CB-SG 3.58Å; W225-C336 HydrophobicContact CH2-CB 4.31Å; W225-C336 HydrophobicContact CZ2-CB 4.34Å; A232-C336 PolarHBondContact O-SG 2.94Å; W334-C336 HydrophobicContact CE3-CB 4.26Å; W334-C336 HydrophobicContact CZ3-CB 4.18Å; C336-A338 PolarHBondContact O-N 3.03Å; C336-L339 CarbonylContact C-O 3.56Å; C336-L339 PolarHBondContact N-O 3.38Å; C336-L339 PolarHBondContact O-N 3.45Å; C336-L339 VanDerWaalsContact O-O 3.09Å
337E84.4Confident92.6Very high140 Ų14049.5 Ų49.565%0.65428%0.278SS*.THydrogen-bonded Turntrans56-120.2-177.3-54.2178.3168.100112G154G154-E337 WeakPolarHBondContact CA-OE1 3.49Å
338A86.4Confident92.7Very high101 Ų10145.2 Ų45.284%0.83525%0.248SC*.THydrogen-bonded Turntrans-85.2-11.7177.600000113.4C336C336-A338 PolarHBondContact O-N 3.03Å
339L90.1Very high92.9Very high78 Ų7844.3 Ų44.341%0.40824%0.238SC..EExtended strand (participates in β ladder)trans-95.5142.4-177.7-63.4177.5000110.9W225 W334 Q335 C336W225-L339 HydrophobicContact CH2-CB 4.14Å; W225-L339 HydrophobicContact CH2-CD1 3.56Å; W225-L339 HydrophobicContact CH2-CG 4.48Å; W225-L339 HydrophobicContact CZ2-CD1 4.37Å; W225-L339 HydrophobicContact CZ3-CD1 3.77Å; W334-L339 HydrophobicContact CH2-CB 4.16Å; W334-L339 HydrophobicContact CZ3-CB 4.1Å; Q335-L339 WeakPolarHBondContact CA-O 3.49Å; C336-L339 CarbonylContact C-O 3.56Å; C336-L339 PolarHBondContact N-O 3.38Å; C336-L339 PolarHBondContact O-N 3.45Å; C336-L339 VanDerWaalsContact O-O 3.09Å
340Q92.9Very high93.1Very high134 Ų13440.3 Ų40.363%0.62622%0.221SC*.EExtended strand (participates in β ladder)trans-144.4154.2175.764.8-178.711.800109.8W334 Q335W334-Q340 WeakPolarHBondContact O-CA 3.32Å; Q335-Q340 HydrophobicContact CB-CB 4.35Å; Q335-Q340 HydrophobicContact CG-CB 4.27Å
341G94.3Very high93.3Very high14 Ų1440.3 Ų40.314%0.14422%0.221CC..EExtended strand (participates in β ladder)trans-162.1-176179.600000111D208 P333 W334D208-G341 WeakPolarHBondContact OD2-CA 3.44Å; P333-G341 WeakPolarHBondContact CA-O 3.32Å; W334-G341 PolarHBondContact N-O 2.66Å; W334-G341 PolarHBondContact O-N 2.92Å
342T95.3Very high93.3Very high60 Ų6039.3 Ų39.337%0.36822%0.215SC..EExtended strand (participates in β ladder)trans-149.7122-178.1-65.40000108.3D208 V331D208-T342 PolarHBondContact OD2-N 3.29Å; V331-T342 HydrophobicContact CB-CG2 3.46Å; V331-T342 VanDerWaalsContact CB-CG2 3.46Å; V331-T342 HydrophobicContact CG1-CG2 4.19Å; V331-T342 HydrophobicContact CG2-CG2 3.57Å
343V95.8Very high93.3Very high0 Ų039.2 Ų39.20%021%0.214CC..EExtended strand (participates in β ladder)trans-89.7116.9174.5-179.40000108.4D208 V211 L213 V331 L332 C346D208-V343 HydrophobicContact CB-CG2 4.31Å; V211-V343 HydrophobicContact CG2-CG2 4.32Å; L213-V343 HydrophobicContact CD1-CB 3.78Å; L213-V343 HydrophobicContact CD1-CG1 3.9Å; L213-V343 HydrophobicContact CD1-CG2 3.57Å; L213-V343 HydrophobicContact CG-CG2 3.94Å; V331-V343 CarbonylContact C-O 3.54Å; V331-V343 WeakPolarHBondContact CA-O 3.32Å; L332-V343 PolarHBondContact N-O 3.31Å; L332-V343 PolarHBondContact O-N 2.95Å; V343-C346 HydrophobicContact CG1-CB 4.11Å
344E93.9Very high93.2Very high99 Ų9938 Ų3846%0.46321%0.206SC..THydrogen-bonded Turntrans-67.7157.1177.5-67.1-74170.400111.1V331 C346V331-E344 WeakPolarHBondContact CG1-OE2 3.36Å; E344-C346 PolarHBondContact O-N 3.2Å; E344-C346 VanDerWaalsContact O-N 3.15Å
345N93.1Very high93Very high44 Ų4437.5 Ų37.524%0.23520%0.204CC..THydrogen-bonded Turntrans54.932.9175.3-61.6-23.6000113.6P330 S369 M370P330-N345 CarbonylContact O-C 3.6Å; P330-N345 VanDerWaalsContact O-CA 3.27Å; P330-N345 WeakPolarHBondContact O-CA 3.35Å; P330-N345 PolarHBondContact O-N 3.38Å; P330-N345 VanDerWaalsContact O-N 3.08Å; N345-S369 CarbonylContact O-C 3.54Å; N345-S369 WeakPolarHBondContact O-CA 3.3Å; N345-M370 HydrophobicContact CB-CB 3.94Å; N345-M370 PolarHBondContact O-N 3.45Å
346C94.3Very high92.7Very high0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-137.4135179.7-175.70000110.2P330 V331 L332 V343 E344 I368P330-C346 CarbonylContact C-O 3.5Å; P330-C346 VanDerWaalsContact C-O 3.3Å; P330-C346 PolarHBondContact O-N 3.04Å; V331-C346 CarbonylContact C-O 3.45Å; V331-C346 WeakPolarHBondContact CA-O 3.3Å; V331-C346 PolarHBondContact N-O 3.46Å; L332-C346 HydrophobicContact CB-CB 3.99Å; L332-C346 PolarHBondContact N-O 3.05Å; V343-C346 HydrophobicContact CG1-CB 4.11Å; E344-C346 PolarHBondContact O-N 3.2Å; E344-C346 VanDerWaalsContact O-N 3.15Å; C346-I368 WeakPolarHBondContact CA-O 3.27Å; C346-I368 PolarHBondContact SG-O 2.95Å
347C95Very high92.6Very high1 Ų138.6 Ų38.61%0.00721%0.208CC..EExtended strand (participates in β ladder)trans-150.2-177.4171.865.80000110.3L290 P367 I368L290-C347 HydrophobicContact CD1-CB 3.82Å; C347-P367 CarbonylContact O-C 3.51Å; C347-P367 WeakPolarHBondContact O-CA 3.27Å; C347-I368 PolarHBondContact N-O 3.23Å; C347-I368 VanDerWaalsContact N-O 3.12Å; C347-I368 VanDerWaalsContact O-CG1 3.28Å; C347-I368 WeakPolarHBondContact O-CG1 3.29Å; C347-I368 PolarHBondContact O-N 2.82Å
348I96.6Very high92.6Very high1 Ų133.3 Ų33.31%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-108.6126.2177.7-56.1175.7000107.9T148 T237 L283 H284 L332 P367T148-I348 HydrophobicContact CG2-CD1 4.28Å; T237-I348 HydrophobicContact CG2-CG2 3.68Å; L283-I348 WeakPolarHBondContact CA-O 2.96Å; H284-I348 PolarHBondContact N-O 2.87Å; H284-I348 WeakPolarHBondContact NE2-CG2 3.34Å; H284-I348 WeakPolarHBondContact O-CA 3.3Å; H284-I348 WeakPolarHBondContact O-CB 3.1Å; H284-I348 PolarHBondContact O-N 3.32Å; L332-I348 HydrophobicContact CD1-CD1 4.17Å; L332-I348 HydrophobicContact CD1-CG1 3.92Å; I348-P367 HydrophobicContact CG1-CG 4.32Å
349M96.9Very high92.7Very high1 Ų132.4 Ų32.41%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-102.8125.4172.5179.2-179.971.700109.5I281 L283 V364 T365 T366 I368 H390 A397I281-M349 HydrophobicContact CD1-CG 4.07Å; I281-M349 HydrophobicContact CD1-SD 4.03Å; I281-M349 HydrophobicContact CG1-CG 4.23Å; L283-M349 HydrophobicContact CD2-CB 3.8Å; L283-M349 HydrophobicContact CD2-CG 3.93Å; M349-V364 HydrophobicContact CE-CG1 4.12Å; M349-T365 CarbonylContact O-C 3.59Å; M349-T365 VanDerWaalsContact O-CA 3.3Å; M349-T365 WeakPolarHBondContact O-CA 3.23Å; M349-T366 HydrophobicContact CE-CG2 4.41Å; M349-T366 PolarHBondContact N-O 2.68Å; M349-T366 PolarHBondContact O-N 3.41Å; M349-I368 HydrophobicContact CB-CD1 3.65Å; M349-I368 HydrophobicContact CB-CG1 4.03Å; M349-I368 HydrophobicContact CB-CG2 4.21Å; M349-I368 HydrophobicContact CE-CG2 4.27Å; M349-H390 HydrophobicContact CE-CB 3.79Å; M349-A397 HydrophobicContact CE-CB 3.96Å; M349-A397 HydrophobicContact SD-CB 4.26Å
350S96.2Very high92.5Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-117.4115.1170.2-55.70000108.6T145 S146 I281 V282 H284 V364T145-S350 WeakPolarHBondContact OG1-CB 3.47Å; S146-S350 WeakPolarHBondContact CB-OG 3.31Å; S146-S350 PolarHBondContact OG-OG 3.25Å; S146-S350 VanDerWaalsContact OG-OG 3.06Å; I281-S350 CarbonylContact C-O 3.55Å; I281-S350 WeakPolarHBondContact CA-O 3.34Å; V282-S350 PolarHBondContact N-O 3.36Å; V282-S350 PolarHBondContact O-N 3.33Å; H284-S350 PolarHBondContact NE2-OG 3.38Å; S350-V364 CarbonylContact C-O 3.55Å; S350-V364 WeakPolarHBondContact CA-O 3.34Å
351L95.5Very high92.3Very high0 Ų024.6 Ų24.60%013%0.133CC..EExtended strand (participates in β ladder)trans-118.1131.5-176.4-178.1154.7000109.5L279 H280 L353 R363 V364 A397 V416L279-L351 HydrophobicContact CD1-CD1 3.77Å; L279-L351 HydrophobicContact CD1-CD2 3.76Å; L279-L351 HydrophobicContact CD1-CG 3.5Å; H280-L351 WeakPolarHBondContact O-CA 3.3Å; L351-L353 HydrophobicContact CD2-CB 4.26Å; L351-R363 WeakPolarHBondContact O-CA 3.46Å; L351-V364 HydrophobicContact CB-CB 4.23Å; L351-V364 PolarHBondContact N-O 3.28Å; L351-V364 PolarHBondContact O-N 2.91Å; L351-A397 HydrophobicContact CD1-CB 4.18Å; L351-V416 HydrophobicContact CD1-CG1 4.44Å; L351-V416 HydrophobicContact CD1-CG2 3.79Å
352T95.8Very high92.2Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-126.8122.5174.3-42.10000109T104 H239 H280 L354T104-T352 WeakPolarHBondContact O-CG2 3.45Å; H239-T352 PolarHBondContact NE2-OG1 3.17Å; H280-T352 PolarHBondContact N-O 2.87Å; H280-T352 PolarHBondContact O-N 2.9Å; T352-L354 HydrophobicContact CG2-CD2 4.31Å
353L95Very high92.1Very high0 Ų025.8 Ų25.80%013%0.128CC..EExtended strand (participates in β ladder)trans-112.4125.6178.5-17562.8000108.8Y277 K278 L279 L312 L351 F361 G362 V418Y277-L353 HydrophobicContact CD1-CD1 4.1Å; Y277-L353 HydrophobicContact CD1-CD2 4.35Å; Y277-L353 HydrophobicContact CD1-CG 4.13Å; K278-L353 WeakPolarHBondContact O-CA 3.38Å; L279-L353 HydrophobicContact CB-CD1 4.36Å; L279-L353 HydrophobicContact CD1-CD1 4.41Å; L312-L353 HydrophobicContact CD1-CD1 4.08Å; L312-L353 HydrophobicContact CD1-CD2 4.11Å; L351-L353 HydrophobicContact CD2-CB 4.26Å; L353-F361 HydrophobicContact CB-CD1 4.5Å; L353-F361 HydrophobicContact CD2-CD1 3.62Å; L353-F361 HydrophobicContact CD2-CE1 3.93Å; L353-F361 HydrophobicContact CG-CD1 3.95Å; L353-F361 WeakPolarHBondContact O-CA 3.22Å; L353-F361 WeakPolarHBondContact O-CB 3.45Å; L353-F361 PolarHBondContact O-N 2.97Å; L353-G362 PolarHBondContact N-O 2.96Å; L353-G362 PolarHBondContact O-N 3.5Å; L353-V418 HydrophobicContact CD2-CG2 3.59Å
354L93.4Very high92Very high1 Ų126.1 Ų26.11%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-105.3142.4175.3-49.4178.7000109.8Y277 K278 T352 N359 Q360Y277-L354 WeakPolarHBondContact CA-O 3.35Å; Y277-L354 VanDerWaalsContact CD1-O 3.3Å; Y277-L354 WeakPolarHBondContact CD1-O 3.42Å; K278-L354 HydrophobicContact CB-CB 4.19Å; K278-L354 HydrophobicContact CB-CD1 4.37Å; K278-L354 PolarHBondContact N-O 3.21Å; K278-L354 PolarHBondContact O-N 3.25Å; T352-L354 HydrophobicContact CG2-CD2 4.31Å; L354-N359 CarbonylContact C-O 3.51Å; L354-N359 WeakPolarHBondContact CA-O 3.31Å; L354-Q360 HydrophobicContact CD2-CG 4.22Å
355D89.6Confident92.1Very high0 Ų022 Ų220%011%0.111CC..  trans-71.4176.2168.564.224000111.5Y277 F357 G358 N359 F361 H426 F427Y277-D355 HydrophobicContact CE1-CB 4.42Å; D355-F357 PolarHBondContact O-N 3.16Å; D355-F357 WeakPolarHBondContact OD1-CA 3.4Å; D355-F357 WeakPolarHBondContact OD1-CB 3.37Å; D355-F357 PolarHBondContact OD1-N 3.13Å; D355-G358 PolarHBondContact O-N 3.4Å; D355-G358 PolarHBondContact OD1-N 3.02Å; D355-G358 VanDerWaalsContact OD1-N 3.15Å; D355-N359 PolarHBondContact N-O 2.97Å; D355-N359 WeakPolarHBondContact OD1-CA 3.33Å; D355-N359 WeakPolarHBondContact OD1-CB 3.13Å; D355-N359 PolarHBondContact OD1-N 3.29Å; D355-N359 WeakPolarHBondContact OD2-CB 3.33Å; D355-F361 HydrophobicContact CB-CB 4.12Å; D355-F361 HydrophobicContact CB-CD2 4.49Å; D355-H426 IonicContact OD2-CD2 3.43Å; D355-H426 IonicContact OD2-CE1 3.23Å; D355-H426 IonicContact OD2-NE2 2.71Å; D355-H426 PolarHBondContact OD2-NE2 2.86Å; D355-F427 HydrophobicContact CB-CZ 3.99Å
356E84.9Confident92.2Very high45 Ų4519.9 Ų19.921%0.2110%0.1CC..THydrogen-bonded Turntrans-55.6-30.5178.266.8-176.9133.800113.8I268 G358I268-E356 WeakPolarHBondContact CD1-OE1 3.33Å; I268-E356 VanDerWaalsContact CD1-OE2 3.23Å; I268-E356 WeakPolarHBondContact CD1-OE2 3.44Å; E356-G358 PolarHBondContact O-N 3.42Å
357F85.7Confident92.2Very high92 Ų9219.9 Ų19.940%0.40410%0.1SC..THydrogen-bonded Turntrans-82.6-2.3179.5-54.7-66.3000112P264 F265 D355 N359 F427P264-F357 HydrophobicContact CB-CD2 3.75Å; P264-F357 HydrophobicContact CB-CE2 3.94Å; P264-F357 HydrophobicContact CG-CD2 4.17Å; P264-F357 HydrophobicContact CG-CE2 4.4Å; F265-F357 WeakPolarHBondContact O-CZ 3.12Å; D355-F357 PolarHBondContact O-N 3.16Å; D355-F357 WeakPolarHBondContact OD1-CA 3.4Å; D355-F357 WeakPolarHBondContact OD1-CB 3.37Å; D355-F357 PolarHBondContact OD1-N 3.13Å; F357-N359 VanDerWaalsContact C-N 3.27Å; F357-N359 WeakPolarHBondContact CB-ND2 3.41Å; F357-F427 HydrophobicContact CD2-CE1 4.26Å; F357-F427 AromaticContact CE2-CE1 3.91Å; F357-F427 HydrophobicContact CE2-CE1 3.91Å
358G84.8Confident92.2Very high28 Ų2820.2 Ų20.229%0.28910%0.101SC..SBendtrans75.813.9-176.200000113.5D355 E356D355-G358 PolarHBondContact O-N 3.4Å; D355-G358 PolarHBondContact OD1-N 3.02Å; D355-G358 VanDerWaalsContact OD1-N 3.15Å; E356-G358 PolarHBondContact O-N 3.42Å
359N87Confident92.1Very high83 Ų8321.5 Ų21.544%0.44411%0.111SC..  trans-81.5154.1173.3-59.4-57.7000110.4L354 D355 F357 F361L354-N359 CarbonylContact C-O 3.51Å; L354-N359 WeakPolarHBondContact CA-O 3.31Å; D355-N359 PolarHBondContact N-O 2.97Å; D355-N359 WeakPolarHBondContact OD1-CA 3.33Å; D355-N359 WeakPolarHBondContact OD1-CB 3.13Å; D355-N359 PolarHBondContact OD1-N 3.29Å; D355-N359 WeakPolarHBondContact OD2-CB 3.33Å; F357-N359 VanDerWaalsContact C-N 3.27Å; F357-N359 WeakPolarHBondContact CB-ND2 3.41Å; N359-F361 PolarHBondContact O-N 3.07Å; N359-F361 VanDerWaalsContact O-N 3.14Å
360Q86.9Confident91.9Very high34 Ų3421.7 Ų21.716%0.15911%0.111CC..EExtended strand (participates in β ladder)trans-66.3112.7176.5-71.6-77.2-22.500110T104 G105 Y241 L354T104-Q360 PolarHBondContact O-NE2 3.44Å; G105-Q360 PolarHBondContact O-NE2 3.12Å; Y241-Q360 HydrophobicContact CD2-CB 3.91Å; Y241-Q360 HydrophobicContact CD2-CG 3.66Å; Y241-Q360 HydrophobicContact CE2-CB 3.54Å; Y241-Q360 HydrophobicContact CE2-CG 3.67Å; L354-Q360 HydrophobicContact CD2-CG 4.22Å
361F89Confident91.7Very high13 Ų1326.2 Ų26.26%0.05713%0.133CC..EExtended strand (participates in β ladder)trans-101.9-57.3-178.3175.1-96.4000110.7Y277 L353 D355 N359 V418 F422 V423 H426 F427Y277-F361 AromaticContact CE1-CD1 3.92Å; Y277-F361 HydrophobicContact CE1-CD1 3.92Å; Y277-F361 HydrophobicContact CE1-CD2 4.38Å; Y277-F361 HydrophobicContact CE1-CE1 4.12Å; Y277-F361 HydrophobicContact CE1-CG 4.08Å; Y277-F361 HydrophobicContact CE1-CZ 4.44Å; L353-F361 HydrophobicContact CB-CD1 4.5Å; L353-F361 HydrophobicContact CD2-CD1 3.62Å; L353-F361 HydrophobicContact CD2-CE1 3.93Å; L353-F361 HydrophobicContact CG-CD1 3.95Å; L353-F361 WeakPolarHBondContact O-CA 3.22Å; L353-F361 WeakPolarHBondContact O-CB 3.45Å; L353-F361 PolarHBondContact O-N 2.97Å; D355-F361 HydrophobicContact CB-CB 4.12Å; D355-F361 HydrophobicContact CB-CD2 4.49Å; N359-F361 PolarHBondContact O-N 3.07Å; N359-F361 VanDerWaalsContact O-N 3.14Å; F361-V418 HydrophobicContact CE1-CG1 3.47Å; F361-V418 VanDerWaalsContact CE1-CG1 3.47Å; F361-V418 HydrophobicContact CE1-CG2 4.26Å; F361-V418 HydrophobicContact CZ-CG1 3.65Å; F361-F422 HydrophobicContact CD1-CE1 4.05Å; F361-F422 AromaticContact CE1-CD1 3.67Å; F361-F422 HydrophobicContact CE1-CD1 3.67Å; F361-F422 AromaticContact CE1-CE1 3.57Å; F361-F422 HydrophobicContact CE1-CE1 3.57Å; F361-F422 HydrophobicContact CE2-CD1 4.2Å; F361-F422 HydrophobicContact CE2-CE1 4.12Å; F361-F422 HydrophobicContact CG-CE1 4.49Å; F361-F422 AromaticContact CZ-CD1 3.43Å; F361-F422 HydrophobicContact CZ-CD1 3.43Å; F361-F422 VanDerWaalsContact CZ-CD1 3.43Å; F361-F422 AromaticContact CZ-CE1 3.6Å; F361-F422 HydrophobicContact CZ-CE1 3.6Å; F361-F422 HydrophobicContact CZ-CG 4.42Å; F361-F422 WeakPolarHBondContact O-CE1 3.31Å; F361-F422 VanDerWaalsContact O-CZ 3.23Å; F361-F422 WeakPolarHBondContact O-CZ 3.22Å; F361-V423 HydrophobicContact CE2-CG2 4.24Å; F361-V423 HydrophobicContact CZ-CG2 3.64Å; F361-H426 HydrophobicContact CD2-CB 4.1Å; F361-H426 AromaticContact CD2-CD2 3.56Å; F361-H426 AromaticContact CD2-CG 3.62Å; F361-H426 AromaticContact CD2-ND1 3.94Å; F361-H426 AromaticContact CD2-NE2 3.8Å; F361-H426 HydrophobicContact CE2-CB 3.72Å; F361-H426 AromaticContact CE2-CD2 3.94Å; F361-H426 AromaticContact CE2-CG 3.79Å; F361-F427 HydrophobicContact CE2-CE2 4.41Å
362G91Very high91.4Very high3 Ų330.6 Ų30.63%0.03116%0.161CC..EExtended strand (participates in β ladder)trans-130.3147.4-174.900000112.9L353 I395L353-G362 PolarHBondContact N-O 2.96Å; L353-G362 PolarHBondContact O-N 3.5Å; G362-I395 VanDerWaalsContact CA-CD1 3.47Å
363R92.9Very high90.9Very high97 Ų9733 Ų3337%0.36617%0.172SC..EExtended strand (participates in β ladder)trans-147.2132.4176.462.1-175.8-178.2-112.612.8111.8Y241 E258 L351Y241-R363 VanDerWaalsContact CE1-CZ 3.5Å; E258-R363 IonicContact OE1-NH2 3.87Å; E258-R363 PolarHBondContact OE1-NH2 3.22Å; L351-R363 WeakPolarHBondContact O-CA 3.46Å
364V94.4Very high89.6Confident6 Ų642.5 Ų42.54%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-131.1136.7171.8173.70000107.8M349 S350 L351 T366 H390 I395M349-V364 HydrophobicContact CE-CG1 4.12Å; S350-V364 CarbonylContact C-O 3.55Å; S350-V364 WeakPolarHBondContact CA-O 3.34Å; L351-V364 HydrophobicContact CB-CB 4.23Å; L351-V364 PolarHBondContact N-O 3.28Å; L351-V364 PolarHBondContact O-N 2.91Å; V364-T366 HydrophobicContact CG1-CG2 3.94Å; V364-H390 VanDerWaalsContact CG1-CD2 3.45Å; V364-H390 WeakPolarHBondContact CG1-CD2 3.21Å; V364-H390 VanDerWaalsContact CG1-NE2 3.3Å; V364-H390 WeakPolarHBondContact CG1-NE2 3.28Å; V364-I395 HydrophobicContact CG2-CB 4.16Å; V364-I395 HydrophobicContact CG2-CD1 4.33Å; V364-I395 HydrophobicContact CG2-CG2 4.01Å
365T95.4Very high87.8Confident13 Ų1346.8 Ų46.88%0.0825%0.252CS..EExtended strand (participates in β ladder)trans-143.5108.5170.4-64.60000107.2G219 T237 H239 M349G219-T365 WeakPolarHBondContact CA-O 3.41Å; G219-T365 PolarHBondContact N-O 3.37Å; G219-T365 VanDerWaalsContact N-O 3.1Å; T237-T365 HydrophobicContact CG2-CG2 3.23Å; H239-T365 WeakPolarHBondContact CB-OG1 3.27Å; H239-T365 PolarHBondContact CD2-OG1 2.87Å; H239-T365 VanDerWaalsContact CD2-OG1 3.31Å; M349-T365 CarbonylContact O-C 3.59Å; M349-T365 VanDerWaalsContact O-CA 3.3Å; M349-T365 WeakPolarHBondContact O-CA 3.23Å
366T95.3Very high86.3Confident0 Ų048.3 Ų48.30%027%0.265CS..EExtended strand (participates in β ladder)trans-152.3141.9-174-167.80000112G219 M349 V364 I368G219-T366 PolarHBondContact N-OG1 2.98Å; M349-T366 HydrophobicContact CE-CG2 4.41Å; M349-T366 PolarHBondContact N-O 2.68Å; M349-T366 PolarHBondContact O-N 3.41Å; V364-T366 HydrophobicContact CG1-CG2 3.94Å; T366-I368 HydrophobicContact CG2-CG2 3.76Å
367P95.1Very high85Confident0 Ų052.2 Ų52.20%029%0.291CS..EExtended strand (participates in β ladder)trans-58.6139.5158.8-24.839.1000110I205 L215 I221 C347 I348I205-P367 HydrophobicContact CD1-CB 3.9Å; L215-P367 HydrophobicContact CD1-CB 4.5Å; I221-P367 HydrophobicContact CB-CG 4.42Å; I221-P367 HydrophobicContact CD1-CB 4.33Å; I221-P367 HydrophobicContact CD1-CG 4.06Å; I221-P367 HydrophobicContact CG1-CG 4.19Å; I221-P367 HydrophobicContact CG2-CB 3.57Å; I221-P367 HydrophobicContact CG2-CG 3.49Å; I221-P367 VanDerWaalsContact CG2-CG 3.49Å; C347-P367 CarbonylContact O-C 3.51Å; C347-P367 WeakPolarHBondContact O-CA 3.27Å; I348-P367 HydrophobicContact CG1-CG 4.32Å
368I94.5Very high83.9Confident7 Ų748.8 Ų48.84%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-133148.4-176.148.5162.4000109.9L283 C346 C347 M349 T366 I388L283-I368 HydrophobicContact CD2-CD1 4.15Å; C346-I368 WeakPolarHBondContact CA-O 3.27Å; C346-I368 PolarHBondContact SG-O 2.95Å; C347-I368 PolarHBondContact N-O 3.23Å; C347-I368 VanDerWaalsContact N-O 3.12Å; C347-I368 VanDerWaalsContact O-CG1 3.28Å; C347-I368 WeakPolarHBondContact O-CG1 3.29Å; C347-I368 PolarHBondContact O-N 2.82Å; M349-I368 HydrophobicContact CB-CD1 3.65Å; M349-I368 HydrophobicContact CB-CG1 4.03Å; M349-I368 HydrophobicContact CB-CG2 4.21Å; M349-I368 HydrophobicContact CE-CG2 4.27Å; T366-I368 HydrophobicContact CG2-CG2 3.76Å; I368-I388 HydrophobicContact CB-CG2 4.08Å; I368-I388 HydrophobicContact CD1-CB 4.49Å; I368-I388 HydrophobicContact CD1-CD1 3.75Å; I368-I388 HydrophobicContact CD1-CG1 4.38Å; I368-I388 HydrophobicContact CD1-CG2 3.4Å; I368-I388 VanDerWaalsContact CD1-CG2 3.4Å; I368-I388 HydrophobicContact CG1-CG2 4.33Å; I368-I388 HydrophobicContact CG2-CG2 4.29Å
369S94.4Very high82.9Confident29 Ų2957.5 Ų57.520%0.20330%0.304CS..EExtended strand (participates in β ladder)trans-101.3149.5170.5-1600000110.2I205 N345I205-S369 WeakPolarHBondContact O-CB 3.49Å; I205-S369 PolarHBondContact O-OG 3.15Å; N345-S369 CarbonylContact O-C 3.54Å; N345-S369 WeakPolarHBondContact O-CA 3.3Å
370M93.2Very high82.1Confident4 Ų458.9 Ų58.92%0.0231%0.312CS..  trans-103.6112.5170.8-76.1175.160.900109P330 N345 Y386 I388 L401 Y409P330-M370 HydrophobicContact CB-CE 4.48Å; P330-M370 HydrophobicContact CB-SD 3.31Å; P330-M370 WeakPolarHBondContact CB-SD 3.3Å; P330-M370 HydrophobicContact CG-CE 3.76Å; P330-M370 HydrophobicContact CG-SD 3.18Å; P330-M370 WeakPolarHBondContact CG-SD 3.49Å; N345-M370 HydrophobicContact CB-CB 3.94Å; N345-M370 PolarHBondContact O-N 3.45Å; M370-Y386 HydrophobicContact CB-CD1 4.25Å; M370-Y386 HydrophobicContact CE-CD1 4.27Å; M370-Y386 HydrophobicContact CE-CD2 4.1Å; M370-Y386 HydrophobicContact CE-CG 3.74Å; M370-I388 HydrophobicContact CB-CG1 4.28Å; M370-I388 HydrophobicContact CG-CD1 3.34Å; M370-I388 HydrophobicContact CG-CG1 3.34Å; M370-I388 HydrophobicContact SD-CD1 3.96Å; M370-L401 HydrophobicContact CE-CB 4.07Å; M370-L401 HydrophobicContact CE-CD1 4.37Å; M370-L401 HydrophobicContact CE-CD2 3.83Å; M370-L401 HydrophobicContact CE-CG 4.32Å; M370-L401 HydrophobicContact SD-CD2 4.2Å; M370-Y409 HydrophobicContact CE-CD1 4.18Å; M370-Y409 HydrophobicContact CE-CE1 4.26Å
371E92.4Very high81.7Confident95 Ų9558.7 Ų58.744%0.44431%0.31SS..EExtended strand (participates in β ladder)trans-95.7135.2179.7-62.5-176176.500109.7Y386 L387E371-Y386 CarbonylContact O-C 3.57Å; E371-Y386 VanDerWaalsContact O-CA 3.24Å; E371-Y386 WeakPolarHBondContact O-CA 3.4Å; E371-L387 PolarHBondContact N-O 3.5Å; E371-L387 PolarHBondContact O-N 3.23Å
372P89.6Confident81.2Confident92 Ų9265.8 Ų65.860%0.59735%0.349SS*.EExtended strand (participates in β ladder)trans-65.3136.5175.627.6-32.6000110.5Y386P372-Y386 HydrophobicContact CB-CD1 4.44Å; P372-Y386 HydrophobicContact CB-CE1 4.31Å
373E84.8Confident80.8Confident50 Ų5066.5 Ų66.523%0.23436%0.355CS..  trans-98.7102.8179.9-166.8168.9-140.700109A375 A376 H385 Q400E373-A375 PolarHBondContact O-N 3.49Å; E373-A375 VanDerWaalsContact O-N 3.16Å; E373-A376 HydrophobicContact CG-CB 4.18Å; E373-H385 HydrophobicContact CB-CB 4.02Å; E373-H385 PolarHBondContact N-O 3.29Å; E373-Q400 PolarHBondContact OE1-NE2 3.11Å; E373-Q400 PolarHBondContact OE2-NE2 3.02Å
374E66.7Low80.5Confident201 Ų20167.1 Ų67.194%0.93936%0.363SS*.THydrogen-bonded Turntrans-67-13.9-170.9-66.7-172.5164.300114.9
375A56.4Low80.4Confident90 Ų9067.6 Ų67.674%0.74436%0.364SS*.THydrogen-bonded Turntrans-132.315.8-164.800000115.6E373 V377E373-A375 PolarHBondContact O-N 3.49Å; E373-A375 VanDerWaalsContact O-N 3.16Å; A375-V377 PolarHBondContact O-N 3.45Å; A375-V377 VanDerWaalsContact O-N 3.07Å
376A57.7Low80.3Confident32 Ų3267.8 Ų67.826%0.26436%0.364SS..  trans-82.686.2177.700000110.8E373 S378 H385E373-A376 HydrophobicContact CG-CB 4.18Å; A376-S378 PolarHBondContact O-N 2.83Å; A376-S378 VanDerWaalsContact O-N 3.07Å; A376-H385 HydrophobicContact CB-CB 3.86Å
377V57.7Low80.2Confident127 Ų12769 Ų6977%0.7737%0.37SS*.  trans-69.4103.1164.2-176.70000107.3A375A375-V377 PolarHBondContact O-N 3.45Å; A375-V377 VanDerWaalsContact O-N 3.07Å
378S63Low80.2Confident20 Ų2069 Ų6914%0.1437%0.37CS..  trans-110.9122.1178.2-1780000109.2A376 D380 Y381 H385A376-S378 PolarHBondContact O-N 2.83Å; A376-S378 VanDerWaalsContact O-N 3.07Å; S378-D380 VanDerWaalsContact C-N 3.29Å; S378-Y381 PolarHBondContact OG-N 2.81Å; S378-H385 VanDerWaalsContact CB-CE1 3.49Å; S378-H385 WeakPolarHBondContact CB-CE1 3.44Å; S378-H385 VanDerWaalsContact CB-NE2 3.33Å; S378-H385 WeakPolarHBondContact CB-NE2 3.07Å
379Y63.5Low80.1Confident211 Ų21174.2 Ų74.283%0.82739%0.394SS*.SBendtrans-76.1-20.9175.1-67.7-76.9000112.6
380D71.3Confident80Confident113 Ų11373.8 Ų73.860%0.60439%0.389SS*.SBendtrans-90.2-13.5-175.6-55.9-50000113.5S378S378-D380 VanDerWaalsContact C-N 3.29Å
381Y77.5Confident79.8Confident29 Ų2980.3 Ų80.311%0.11442%0.42CS..  trans-148.1119.2-170.6-75.7-81.3000111H323 S378 G383 V402 M404 V412H323-Y381 AromaticContact CE1-CE2 3.51Å; H323-Y381 AromaticContact ND1-CE2 3.32Å; H323-Y381 VanDerWaalsContact ND1-CE2 3.32Å; H323-Y381 WeakPolarHBondContact ND1-CE2 3.07Å; H323-Y381 AromaticContact ND1-CZ 3.35Å; H323-Y381 PolarHBondContact ND1-OH 3.35Å; S378-Y381 PolarHBondContact OG-N 2.81Å; Y381-G383 VanDerWaalsContact C-N 3.3Å; Y381-G383 PolarHBondContact O-N 2.91Å; Y381-V402 HydrophobicContact CD1-CB 4.14Å; Y381-V402 HydrophobicContact CD1-CG1 3.87Å; Y381-V402 HydrophobicContact CD1-CG2 4.25Å; Y381-V402 HydrophobicContact CD2-CG2 4.49Å; Y381-V402 HydrophobicContact CG-CB 4.38Å; Y381-V402 HydrophobicContact CG-CG1 4.13Å; Y381-V402 HydrophobicContact CG-CG2 4.02Å; Y381-M404 HydrophobicContact CD1-CE 3.31Å; Y381-M404 HydrophobicContact CD1-CG 4.4Å; Y381-M404 HydrophobicContact CD1-SD 3.72Å; Y381-M404 HydrophobicContact CE1-CE 3.71Å; Y381-M404 HydrophobicContact CE1-SD 4.45Å; Y381-M404 HydrophobicContact CG-CE 4.35Å; Y381-V412 HydrophobicContact CD2-CG1 4.22Å; Y381-V412 HydrophobicContact CE1-CG1 4.29Å; Y381-V412 HydrophobicContact CE2-CG1 3.84Å
382D77.6Confident79.6Confident163 Ų16377.7 Ų77.787%0.87241%0.409SS*.  trans-88.37.2177.6-60.7-36.9000113.5
383G82.6Confident79.4Confident17 Ų1778 Ų7818%0.17541%0.413CS..SBendtrans-87.9169.7-173.100000114.6Y381 H385 K403Y381-G383 VanDerWaalsContact C-N 3.3Å; Y381-G383 PolarHBondContact O-N 2.91Å; G383-H385 PolarHBondContact O-CD2 3.22Å; G383-H385 PolarHBondContact O-N 2.71Å; G383-K403 CarbonylContact C-O 3.6Å; G383-K403 WeakPolarHBondContact CA-O 3.24Å
384E88.4Confident79.8Confident110 Ų11078.5 Ų78.551%0.51442%0.417SS..EExtended strand (participates in β ladder)trans-67.8128173.1-65173.4152.900109.8Y386 V402 K403E384-Y386 HydrophobicContact CB-CE2 3.89Å; E384-Y386 PolarHBondContact OE2-OH 2.99Å; E384-V402 WeakPolarHBondContact O-CA 3.28Å; E384-K403 HydrophobicContact CB-CB 4.33Å; E384-K403 PolarHBondContact N-O 3.24Å; E384-K403 VanDerWaalsContact N-O 3.12Å; E384-K403 PolarHBondContact O-N 3.23Å; E384-K403 WeakPolarHBondContact OE2-CD 3.48Å; E384-K403 WeakPolarHBondContact OE2-CE 3.44Å; E384-K403 IonicContact OE2-NZ 3.72Å; E384-K403 PolarHBondContact OE2-NZ 3.39Å
385H91.1Very high81Confident16 Ų1669 Ų697%0.07437%0.373CS..EExtended strand (participates in β ladder)trans-91.2140179.7-72.5-90.8000111.4E373 A376 S378 G383 L401 V402E373-H385 HydrophobicContact CB-CB 4.02Å; E373-H385 PolarHBondContact N-O 3.29Å; A376-H385 HydrophobicContact CB-CB 3.86Å; S378-H385 VanDerWaalsContact CB-CE1 3.49Å; S378-H385 WeakPolarHBondContact CB-CE1 3.44Å; S378-H385 VanDerWaalsContact CB-NE2 3.33Å; S378-H385 WeakPolarHBondContact CB-NE2 3.07Å; G383-H385 PolarHBondContact O-CD2 3.22Å; G383-H385 PolarHBondContact O-N 2.71Å; H385-L401 CarbonylContact C-O 3.5Å; H385-L401 WeakPolarHBondContact CA-O 3.35Å; H385-V402 WeakPolarHBondContact CE1-CG2 3.25Å; H385-V402 WeakPolarHBondContact ND1-CG2 3.34Å
386Y93.3Very high82.9Confident18 Ų1866.4 Ų66.47%0.07135%0.345CS..EExtended strand (participates in β ladder)trans-130.4144.7176.6-64.1-89.8000110.4M370 E371 P372 E384 Q400 L401 K403 Y409M370-Y386 HydrophobicContact CB-CD1 4.25Å; M370-Y386 HydrophobicContact CE-CD1 4.27Å; M370-Y386 HydrophobicContact CE-CD2 4.1Å; M370-Y386 HydrophobicContact CE-CG 3.74Å; E371-Y386 CarbonylContact O-C 3.57Å; E371-Y386 VanDerWaalsContact O-CA 3.24Å; E371-Y386 WeakPolarHBondContact O-CA 3.4Å; P372-Y386 HydrophobicContact CB-CD1 4.44Å; P372-Y386 HydrophobicContact CB-CE1 4.31Å; E384-Y386 HydrophobicContact CB-CE2 3.89Å; E384-Y386 PolarHBondContact OE2-OH 2.99Å; Y386-Q400 CarbonylContact O-C 3.48Å; Y386-Q400 WeakPolarHBondContact O-CA 3.25Å; Y386-L401 PolarHBondContact N-O 3.24Å; Y386-L401 PolarHBondContact O-N 2.64Å; Y386-K403 HydrophobicContact CD2-CB 4.35Å; Y386-K403 HydrophobicContact CE2-CB 3.74Å; Y386-K403 HydrophobicContact CE2-CD 4.02Å; Y386-Y409 HydrophobicContact CE2-CE1 4.26Å
387L94Very high84.7Confident24 Ų2465 Ų6513%0.12633%0.334CS..EExtended strand (participates in β ladder)trans-115.3133.2175.6-178.163.4000109.6E371 Q389 K398 Q400E371-L387 PolarHBondContact N-O 3.5Å; E371-L387 PolarHBondContact O-N 3.23Å; L387-Q389 HydrophobicContact CD1-CG 4.11Å; L387-Q389 HydrophobicContact CD2-CG 4.05Å; L387-Q389 HydrophobicContact CG-CG 3.91Å; L387-K398 HydrophobicContact CD1-CD 4.3Å; L387-K398 HydrophobicContact CD1-CG 3.76Å; L387-Q400 HydrophobicContact CD1-CG 3.72Å
388I94.4Very high86.5Confident1 Ų162.3 Ų62.31%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-114.9124.7168.8-64.8175.8000106.4I368 M370 M399 L401I368-I388 HydrophobicContact CB-CG2 4.08Å; I368-I388 HydrophobicContact CD1-CB 4.49Å; I368-I388 HydrophobicContact CD1-CD1 3.75Å; I368-I388 HydrophobicContact CD1-CG1 4.38Å; I368-I388 HydrophobicContact CD1-CG2 3.4Å; I368-I388 VanDerWaalsContact CD1-CG2 3.4Å; I368-I388 HydrophobicContact CG1-CG2 4.33Å; I368-I388 HydrophobicContact CG2-CG2 4.29Å; M370-I388 HydrophobicContact CB-CG1 4.28Å; M370-I388 HydrophobicContact CG-CD1 3.34Å; M370-I388 HydrophobicContact CG-CG1 3.34Å; M370-I388 HydrophobicContact SD-CD1 3.96Å; I388-M399 HydrophobicContact CB-CB 4.16Å; I388-M399 HydrophobicContact CD1-SD 4.2Å; I388-M399 PolarHBondContact N-O 3.04Å; I388-M399 PolarHBondContact O-N 3.31Å; I388-L401 HydrophobicContact CD1-CD1 3.39Å; I388-L401 HydrophobicContact CD1-CD2 4.44Å; I388-L401 HydrophobicContact CG1-CD1 3.8Å
389Q92.6Very high88.1Confident117 Ų11761.5 Ų61.555%0.54731%0.306SS..EExtended strand (participates in β ladder)trans-126.6134174.6-77.6175.9-40.100110.1L387 A397 K398L387-Q389 HydrophobicContact CD1-CG 4.11Å; L387-Q389 HydrophobicContact CD2-CG 4.05Å; L387-Q389 HydrophobicContact CG-CG 3.91Å; Q389-A397 WeakPolarHBondContact CA-O 3.2Å; Q389-K398 HydrophobicContact CG-CG 4.16Å
390H91.9Very high89.6Confident19 Ų1952.7 Ų52.79%0.08827%0.272CS..EExtended strand (participates in β ladder)trans-128.5137.4165.7173.667.4000108.5M349 V364 D392 Q396 A397M349-H390 HydrophobicContact CE-CB 3.79Å; V364-H390 VanDerWaalsContact CG1-CD2 3.45Å; V364-H390 WeakPolarHBondContact CG1-CD2 3.21Å; V364-H390 VanDerWaalsContact CG1-NE2 3.3Å; V364-H390 WeakPolarHBondContact CG1-NE2 3.28Å; H390-D392 IonicContact NE2-OD2 2.66Å; H390-Q396 CarbonylContact O-C 2.88Å; H390-Q396 WeakPolarHBondContact O-CA 3.31Å; H390-A397 HydrophobicContact CB-CB 4.45Å; H390-A397 PolarHBondContact N-O 3.03Å; H390-A397 PolarHBondContact O-N 3Å
391E89.7Confident90.7Very high142 Ų14247.3 Ų47.366%0.66424%0.243SC*.EExtended strand (participates in β ladder)trans-138.2123.5178.7172.4164.8-162.900109.4Q396E391-Q396 HydrophobicContact CB-CG 4.14Å; E391-Q396 HydrophobicContact CG-CG 3.93Å; E391-Q396 PolarHBondContact OE1-NE2 3.11Å
392D86.9Confident91.4Very high40 Ų4046 Ų4621%0.21424%0.238CC..  trans-124.2178.8163.877.541.4000109.8H390 N394 I395H390-D392 IonicContact NE2-OD2 2.66Å; D392-N394 PolarHBondContact O-N 3.2Å; D392-N394 WeakPolarHBondContact OD1-CA 3.45Å; D392-N394 PolarHBondContact OD1-N 2.68Å; D392-I395 VanDerWaalsContact CG-O 3.29Å; D392-I395 PolarHBondContact N-O 3.08Å; D392-I395 PolarHBondContact OD1-N 3.24Å
393S86.9Confident92.1Very high98 Ų9840.5 Ų40.569%0.68521%0.207SC*.SBendtrans-68-16.8-17655.30000115
394N92.1Very high92.3Very high60 Ų6043.6 Ų43.632%0.32122%0.218SC..SBendtrans-116.2-33.3-175.3-59.1-53.5000112.9D392 V418 S419 F422D392-N394 PolarHBondContact O-N 3.2Å; D392-N394 WeakPolarHBondContact OD1-CA 3.45Å; D392-N394 PolarHBondContact OD1-N 2.68Å; N394-V418 WeakPolarHBondContact O-CA 3.23Å; N394-S419 PolarHBondContact O-N 3.23Å; N394-F422 HydrophobicContact CB-CB 4.02Å; N394-F422 HydrophobicContact CB-CD1 3.94Å; N394-F422 HydrophobicContact CB-CD2 3.9Å; N394-F422 HydrophobicContact CB-CE1 4.39Å; N394-F422 HydrophobicContact CB-CE2 4.37Å; N394-F422 HydrophobicContact CB-CG 3.68Å; N394-F422 WeakPolarHBondContact OD1-CD2 3.24Å
395I93.3Very high92Very high3 Ų341.9 Ų41.92%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-137.5132.8-170.4-59.1175.7000109.4G362 V364 D392 V416 Y417G362-I395 VanDerWaalsContact CA-CD1 3.47Å; V364-I395 HydrophobicContact CG2-CB 4.16Å; V364-I395 HydrophobicContact CG2-CD1 4.33Å; V364-I395 HydrophobicContact CG2-CG2 4.01Å; D392-I395 VanDerWaalsContact CG-O 3.29Å; D392-I395 PolarHBondContact N-O 3.08Å; D392-I395 PolarHBondContact OD1-N 3.24Å; I395-V416 HydrophobicContact CG2-CG1 3.92Å; I395-Y417 CarbonylContact C-O 3.53Å; I395-Y417 VanDerWaalsContact CA-O 3.32Å; I395-Y417 WeakPolarHBondContact CA-O 3.48Å
396Q94.8Very high91.2Very high35 Ų3544.4 Ų44.416%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-118.9145.4165.3-50.2175.5-17.400109.2W309 H390 E391 V416 Y417W309-Q396 HydrophobicContact CE3-CG 4.24Å; W309-Q396 HydrophobicContact CH2-CG 3.59Å; W309-Q396 HydrophobicContact CZ2-CG 4.11Å; W309-Q396 HydrophobicContact CZ3-CG 3.67Å; H390-Q396 CarbonylContact O-C 2.88Å; H390-Q396 WeakPolarHBondContact O-CA 3.31Å; E391-Q396 HydrophobicContact CB-CG 4.14Å; E391-Q396 HydrophobicContact CG-CG 3.93Å; E391-Q396 PolarHBondContact OE1-NE2 3.11Å; Q396-V416 CarbonylContact O-C 3.54Å; Q396-V416 WeakPolarHBondContact O-CA 3.02Å; Q396-Y417 HydrophobicContact CB-CD2 4.27Å; Q396-Y417 PolarHBondContact N-O 2.85Å; Q396-Y417 PolarHBondContact O-N 3.5Å
397A95.4Very high90.5Very high3 Ų351.1 Ų51.13%0.02527%0.268CS..EExtended strand (participates in β ladder)trans-126.9123.517300000108.9M349 L351 Q389 H390M349-A397 HydrophobicContact CE-CB 3.96Å; M349-A397 HydrophobicContact SD-CB 4.26Å; L351-A397 HydrophobicContact CD1-CB 4.18Å; Q389-A397 WeakPolarHBondContact CA-O 3.2Å; H390-A397 HydrophobicContact CB-CB 4.45Å; H390-A397 PolarHBondContact N-O 3.03Å; H390-A397 PolarHBondContact O-N 3Å
398K96.1Very high90.2Very high70 Ų7055 Ų5530%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-115.6120.9174.3-169.3176.7-177.1177.10108.6L387 Q389 V415 Y417L387-K398 HydrophobicContact CD1-CD 4.3Å; L387-K398 HydrophobicContact CD1-CG 3.76Å; Q389-K398 HydrophobicContact CG-CG 4.16Å; K398-V415 PolarHBondContact N-O 3.23Å; K398-V415 PolarHBondContact O-N 2.8Å; K398-Y417 HydrophobicContact CB-CE2 4.23Å
399M96.1Very high90.2Very high2 Ų255.2 Ų55.21%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-129.8132.1179.7-176-168.6-64.300109.7I281 L283 I388 L401 V411 S413 L414I281-M399 HydrophobicContact CD1-CE 3.37Å; L283-M399 HydrophobicContact CD1-CE 4.1Å; L283-M399 HydrophobicContact CD1-SD 3.83Å; L283-M399 HydrophobicContact CD2-CE 4.17Å; L283-M399 HydrophobicContact CG-CE 4.4Å; I388-M399 HydrophobicContact CB-CB 4.16Å; I388-M399 HydrophobicContact CD1-SD 4.2Å; I388-M399 PolarHBondContact N-O 3.04Å; I388-M399 PolarHBondContact O-N 3.31Å; M399-L401 HydrophobicContact CB-CD1 4.5Å; M399-L401 HydrophobicContact CG-CD1 3.8Å; M399-L401 HydrophobicContact SD-CD1 3.85Å; M399-L401 HydrophobicContact SD-CG 4.47Å; M399-V411 HydrophobicContact CG-CG1 3.58Å; M399-V411 HydrophobicContact SD-CG1 3.9Å; M399-V411 HydrophobicContact SD-CG2 4.01Å; M399-S413 CarbonylContact C-O 3.55Å; M399-S413 VanDerWaalsContact CA-O 3.27Å; M399-S413 WeakPolarHBondContact CA-O 3.49Å; M399-S413 WeakPolarHBondContact CG-O 3.45Å; M399-L414 HydrophobicContact CB-CD1 4.08Å; M399-L414 HydrophobicContact CE-CD1 3.76Å; M399-L414 HydrophobicContact CE-CD2 4.46Å; M399-L414 HydrophobicContact CG-CD1 4.34Å
400Q95.1Very high90.3Very high26 Ų2651.6 Ų51.612%0.12127%0.267CS..EExtended strand (participates in β ladder)trans-112.7135.9175.9-64.2174-44.900110.1R317 E373 Y386 L387 V412 S413R317-Q400 VanDerWaalsContact CZ-OE1 3.27Å; R317-Q400 VanDerWaalsContact NH2-CB 3.31Å; E373-Q400 PolarHBondContact OE1-NE2 3.11Å; E373-Q400 PolarHBondContact OE2-NE2 3.02Å; Y386-Q400 CarbonylContact O-C 3.48Å; Y386-Q400 WeakPolarHBondContact O-CA 3.25Å; L387-Q400 HydrophobicContact CD1-CG 3.72Å; Q400-V412 HydrophobicContact CB-CG2 4.16Å; Q400-V412 WeakPolarHBondContact O-CG2 3.2Å; Q400-V412 PolarHBondContact O-N 3.07Å; Q400-S413 PolarHBondContact N-O 2.99Å; Q400-S413 PolarHBondContact O-N 3.34Å
401L93.9Very high90.4Very high1 Ų150.7 Ų50.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-124.1150.5-178.8-63.486.4000110.6L326 M370 H385 Y386 I388 M399 F410 V411L326-L401 HydrophobicContact CD1-CD2 3.78Å; M370-L401 HydrophobicContact CE-CB 4.07Å; M370-L401 HydrophobicContact CE-CD1 4.37Å; M370-L401 HydrophobicContact CE-CD2 3.83Å; M370-L401 HydrophobicContact CE-CG 4.32Å; M370-L401 HydrophobicContact SD-CD2 4.2Å; H385-L401 CarbonylContact C-O 3.5Å; H385-L401 WeakPolarHBondContact CA-O 3.35Å; Y386-L401 PolarHBondContact N-O 3.24Å; Y386-L401 PolarHBondContact O-N 2.64Å; I388-L401 HydrophobicContact CD1-CD1 3.39Å; I388-L401 HydrophobicContact CD1-CD2 4.44Å; I388-L401 HydrophobicContact CG1-CD1 3.8Å; M399-L401 HydrophobicContact CB-CD1 4.5Å; M399-L401 HydrophobicContact CG-CD1 3.8Å; M399-L401 HydrophobicContact SD-CD1 3.85Å; M399-L401 HydrophobicContact SD-CG 4.47Å; L401-F410 CarbonylContact C-O 3.57Å; L401-F410 WeakPolarHBondContact CA-O 3.47Å; L401-V411 HydrophobicContact CD2-CG2 4.02Å; L401-V411 HydrophobicContact CG-CG2 4.1Å
402V93Very high90.7Very high0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-121.8130.1172.8-177.50000109.3Y381 E384 H385 M404 Y409 F410 V412Y381-V402 HydrophobicContact CD1-CB 4.14Å; Y381-V402 HydrophobicContact CD1-CG1 3.87Å; Y381-V402 HydrophobicContact CD1-CG2 4.25Å; Y381-V402 HydrophobicContact CD2-CG2 4.49Å; Y381-V402 HydrophobicContact CG-CB 4.38Å; Y381-V402 HydrophobicContact CG-CG1 4.13Å; Y381-V402 HydrophobicContact CG-CG2 4.02Å; E384-V402 WeakPolarHBondContact O-CA 3.28Å; H385-V402 WeakPolarHBondContact CE1-CG2 3.25Å; H385-V402 WeakPolarHBondContact ND1-CG2 3.34Å; V402-M404 HydrophobicContact CG1-CG 4.3Å; V402-M404 HydrophobicContact CG1-SD 3.98Å; V402-Y409 CarbonylContact O-C 3.3Å; V402-Y409 WeakPolarHBondContact O-CA 3.23Å; V402-F410 PolarHBondContact N-O 3.25Å; V402-F410 PolarHBondContact O-N 2.83Å; V402-V412 HydrophobicContact CB-CG1 4.29Å; V402-V412 HydrophobicContact CG2-CB 4.41Å; V402-V412 HydrophobicContact CG2-CG1 3.71Å; V402-V412 HydrophobicContact CG2-CG2 3.79Å
403K91.7Very high91Very high49 Ų4942.7 Ų42.721%0.21323%0.226CC..EExtended strand (participates in β ladder)trans-96.9106.6170.3179.8-174.5164.9-157.50109.5G383 E384 Y386 T405 Y409G383-K403 CarbonylContact C-O 3.6Å; G383-K403 WeakPolarHBondContact CA-O 3.24Å; E384-K403 HydrophobicContact CB-CB 4.33Å; E384-K403 PolarHBondContact N-O 3.24Å; E384-K403 VanDerWaalsContact N-O 3.12Å; E384-K403 PolarHBondContact O-N 3.23Å; E384-K403 WeakPolarHBondContact OE2-CD 3.48Å; E384-K403 WeakPolarHBondContact OE2-CE 3.44Å; E384-K403 IonicContact OE2-NZ 3.72Å; E384-K403 PolarHBondContact OE2-NZ 3.39Å; Y386-K403 HydrophobicContact CD2-CB 4.35Å; Y386-K403 HydrophobicContact CE2-CB 3.74Å; Y386-K403 HydrophobicContact CE2-CD 4.02Å; K403-T405 WeakPolarHBondContact CG-O 3.46Å; K403-Y409 HydrophobicContact CB-CD1 3.91Å; K403-Y409 HydrophobicContact CB-CE1 3.75Å; K403-Y409 HydrophobicContact CD-CE1 3.83Å; K403-Y409 HydrophobicContact CG-CD1 4.26Å; K403-Y409 HydrophobicContact CG-CE1 3.81Å; K403-Y409 HydrophobicContact CG-CE2 4.32Å
404M86.6Confident91.5Very high82 Ų8238 Ų3840%0.40419%0.193SC..EExtended strand (participates in β ladder)trans-83.6-33.4179.4-69.3-64.2-121.100112.5Y381 V402 K408 F410Y381-M404 HydrophobicContact CD1-CE 3.31Å; Y381-M404 HydrophobicContact CD1-CG 4.4Å; Y381-M404 HydrophobicContact CD1-SD 3.72Å; Y381-M404 HydrophobicContact CE1-CE 3.71Å; Y381-M404 HydrophobicContact CE1-SD 4.45Å; Y381-M404 HydrophobicContact CG-CE 4.35Å; V402-M404 HydrophobicContact CG1-CG 4.3Å; V402-M404 HydrophobicContact CG1-SD 3.98Å; M404-K408 PolarHBondContact N-O 3.02Å; M404-F410 HydrophobicContact CB-CE2 4.38Å; M404-F410 HydrophobicContact CG-CD2 3.88Å; M404-F410 HydrophobicContact CG-CE2 3.97Å
405T82.1Confident91.7Very high73 Ų7335.7 Ų35.745%0.44818%0.181SC..EExtended strand (participates in β ladder)trans-146.7173.7178.260.60000109.3K403 K407 K408K403-T405 WeakPolarHBondContact CG-O 3.46Å; T405-K407 PolarHBondContact O-N 2.89Å; T405-K408 PolarHBondContact O-N 3.09Å; T405-K408 WeakPolarHBondContact OG1-CB 3.48Å; T405-K408 WeakPolarHBondContact OG1-CG 3.17Å; T405-K408 PolarHBondContact OG1-N 3.39Å
406A75.7Confident91.8Very high69 Ų6935.6 Ų35.657%0.5718%0.18SC*.THydrogen-bonded Turntrans-54-17.5179.400000115.3K329K329-A406 WeakPolarHBondContact CE-O 3.42Å; K329-A406 PolarHBondContact NZ-O 2.8Å
407K77.8Confident91.8Very high160 Ų16036.4 Ų36.470%0.69618%0.182SC*.THydrogen-bonded Turntrans-126.7-7.9-178.8-65-173.9179.8-179.10114.8T405T405-K407 PolarHBondContact O-N 2.89Å
408K88.7Confident91.7Very high105 Ų10536.4 Ų36.446%0.45718%0.182SC..EExtended strand (participates in β ladder)trans-111.7114.4-174.2-64.1-175.6178.3-176.10110.5M404 T405 F410M404-K408 PolarHBondContact N-O 3.02Å; T405-K408 PolarHBondContact O-N 3.09Å; T405-K408 WeakPolarHBondContact OG1-CB 3.48Å; T405-K408 WeakPolarHBondContact OG1-CG 3.17Å; T405-K408 PolarHBondContact OG1-N 3.39Å; K408-F410 HydrophobicContact CB-CE2 4.14Å
409Y93.4Very high91.5Very high5 Ų533.6 Ų33.62%0.0217%0.171CC..EExtended strand (participates in β ladder)trans-115.6139.3174-68.1-100.9000108.6Q325 L326 K329 P330 M370 Y386 V402 K403Q325-Y409 WeakPolarHBondContact CA-O 3.41Å; L326-Y409 PolarHBondContact N-O 3.46Å; K329-Y409 HydrophobicContact CB-CE2 4.36Å; K329-Y409 HydrophobicContact CG-CE2 4.15Å; P330-Y409 HydrophobicContact CG-CD1 4.11Å; P330-Y409 HydrophobicContact CG-CE1 4Å; P330-Y409 HydrophobicContact CG-CG 4.43Å; M370-Y409 HydrophobicContact CE-CD1 4.18Å; M370-Y409 HydrophobicContact CE-CE1 4.26Å; Y386-Y409 HydrophobicContact CE2-CE1 4.26Å; V402-Y409 CarbonylContact O-C 3.3Å; V402-Y409 WeakPolarHBondContact O-CA 3.23Å; K403-Y409 HydrophobicContact CB-CD1 3.91Å; K403-Y409 HydrophobicContact CB-CE1 3.75Å; K403-Y409 HydrophobicContact CD-CE1 3.83Å; K403-Y409 HydrophobicContact CG-CD1 4.26Å; K403-Y409 HydrophobicContact CG-CE1 3.81Å; K403-Y409 HydrophobicContact CG-CE2 4.32Å
410F94.2Very high91.1Very high42 Ų4234.3 Ų34.318%0.18418%0.176CC..EExtended strand (participates in β ladder)trans-122.6133.9176-69.6-94.5000109.3I324 Q325 L401 V402 M404 K408 V412I324-F410 CarbonylContact O-C 3.6Å; I324-F410 VanDerWaalsContact O-CA 3.31Å; I324-F410 WeakPolarHBondContact O-CA 3.4Å; Q325-F410 HydrophobicContact CB-CD1 3.83Å; Q325-F410 HydrophobicContact CB-CE1 3.54Å; Q325-F410 HydrophobicContact CB-CZ 4.12Å; Q325-F410 HydrophobicContact CG-CD1 4.13Å; Q325-F410 HydrophobicContact CG-CE1 3.68Å; Q325-F410 HydrophobicContact CG-CE2 4.22Å; Q325-F410 HydrophobicContact CG-CZ 3.73Å; L401-F410 CarbonylContact C-O 3.57Å; L401-F410 WeakPolarHBondContact CA-O 3.47Å; V402-F410 PolarHBondContact N-O 3.25Å; V402-F410 PolarHBondContact O-N 2.83Å; M404-F410 HydrophobicContact CB-CE2 4.38Å; M404-F410 HydrophobicContact CG-CD2 3.88Å; M404-F410 HydrophobicContact CG-CE2 3.97Å; K408-F410 HydrophobicContact CB-CE2 4.14Å; F410-V412 HydrophobicContact CB-CG1 4.18Å
411V95.4Very high90.9Very high0 Ų039.6 Ų39.60%020%0.204CC..EExtended strand (participates in β ladder)trans-82.1116.2164.4-175.70000107.2M291 I315 H323 I324 L326 M399 L401M291-V411 HydrophobicContact CE-CB 4.42Å; M291-V411 HydrophobicContact CE-CG2 4.27Å; M291-V411 HydrophobicContact SD-CG2 3.81Å; I315-V411 HydrophobicContact CD1-CB 4.28Å; I315-V411 HydrophobicContact CD1-CG1 3.71Å; H323-V411 WeakPolarHBondContact CA-O 3.31Å; I324-V411 PolarHBondContact N-O 2.82Å; I324-V411 PolarHBondContact O-N 3.15Å; L326-V411 HydrophobicContact CD2-CG2 3.83Å; L326-V411 HydrophobicContact CG-CG2 4.47Å; M399-V411 HydrophobicContact CG-CG1 3.58Å; M399-V411 HydrophobicContact SD-CG1 3.9Å; M399-V411 HydrophobicContact SD-CG2 4.01Å; L401-V411 HydrophobicContact CD2-CG2 4.02Å; L401-V411 HydrophobicContact CG-CG2 4.1Å
412V94.4Very high90.7Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-109.7-12.1-176.2-59.90000112.6R317 H323 Y381 Q400 V402 F410R317-V412 WeakPolarHBondContact CA-O 3.49Å; R317-V412 PolarHBondContact N-O 3.03Å; H323-V412 PolarHBondContact NE2-O 3.41Å; Y381-V412 HydrophobicContact CD2-CG1 4.22Å; Y381-V412 HydrophobicContact CE1-CG1 4.29Å; Y381-V412 HydrophobicContact CE2-CG1 3.84Å; Q400-V412 HydrophobicContact CB-CG2 4.16Å; Q400-V412 WeakPolarHBondContact O-CG2 3.2Å; Q400-V412 PolarHBondContact O-N 3.07Å; V402-V412 HydrophobicContact CB-CG1 4.29Å; V402-V412 HydrophobicContact CG2-CB 4.41Å; V402-V412 HydrophobicContact CG2-CG1 3.71Å; V402-V412 HydrophobicContact CG2-CG2 3.79Å; F410-V412 HydrophobicContact CB-CG1 4.18Å
413S95.2Very high90.4Very high14 Ų1441.5 Ų41.510%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-151.7138.6172.8-176.60000109.6I315 M399 Q400I315-S413 WeakPolarHBondContact O-CA 3.31Å; M399-S413 CarbonylContact C-O 3.55Å; M399-S413 VanDerWaalsContact CA-O 3.27Å; M399-S413 WeakPolarHBondContact CA-O 3.49Å; M399-S413 WeakPolarHBondContact CG-O 3.45Å; Q400-S413 PolarHBondContact N-O 2.99Å; Q400-S413 PolarHBondContact O-N 3.34Å
414L97Very high90.2Very high0 Ų040 Ų400%021%0.206CC..EExtended strand (participates in β ladder)trans-144.1115.1173.3174.858.7000108.4L279 I281 F295 A314 I315 M399L279-L414 HydrophobicContact CD2-CD2 3.99Å; L279-L414 HydrophobicContact CD2-CG 4.43Å; I281-L414 HydrophobicContact CD1-CD1 4.06Å; I281-L414 HydrophobicContact CD1-CD2 3.96Å; I281-L414 HydrophobicContact CG2-CD2 3.94Å; F295-L414 HydrophobicContact CE2-CD2 3.98Å; F295-L414 HydrophobicContact CZ-CD2 4.45Å; A314-L414 HydrophobicContact CB-CB 4.34Å; A314-L414 HydrophobicContact CB-CD2 3.98Å; A314-L414 HydrophobicContact CB-CG 4Å; A314-L414 PolarHBondContact N-O 3.1Å; I315-L414 HydrophobicContact CB-CB 3.91Å; I315-L414 HydrophobicContact CD1-CB 3.95Å; I315-L414 HydrophobicContact CD1-CD2 4.45Å; I315-L414 HydrophobicContact CG1-CB 3.99Å; I315-L414 PolarHBondContact N-O 3.01Å; I315-L414 VanDerWaalsContact N-O 3.11Å; I315-L414 PolarHBondContact O-N 2.86Å; M399-L414 HydrophobicContact CB-CD1 4.08Å; M399-L414 HydrophobicContact CE-CD1 3.76Å; M399-L414 HydrophobicContact CE-CD2 4.46Å; M399-L414 HydrophobicContact CG-CD1 4.34Å
415V95.7Very high90.2Very high11 Ų1144.1 Ų44.17%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-129.4128.7179.8-171.50000108.7Q311 T313 K398 Y417Q311-V415 HydrophobicContact CG-CG1 3.34Å; T313-V415 HydrophobicContact CG2-CG2 4.34Å; K398-V415 PolarHBondContact N-O 3.23Å; K398-V415 PolarHBondContact O-N 2.8Å; V415-Y417 HydrophobicContact CB-CE2 4.06Å; V415-Y417 HydrophobicContact CG1-CD2 4.25Å; V415-Y417 HydrophobicContact CG1-CE1 4.1Å; V415-Y417 HydrophobicContact CG1-CE2 3.6Å
416V95.4Very high90.4Very high0 Ų042.8 Ų42.80%021%0.211CC..EExtended strand (participates in β ladder)trans-110.2125.1175.5-178.70000107.8L279 L312 L351 I395 Q396 V418L279-V416 HydrophobicContact CD1-CG2 4Å; L279-V416 HydrophobicContact CD2-CG2 3.67Å; L312-V416 WeakPolarHBondContact CA-O 3.3Å; L312-V416 WeakPolarHBondContact CB-O 3.48Å; L312-V416 PolarHBondContact N-O 3.01Å; L312-V416 PolarHBondContact O-N 2.83Å; L351-V416 HydrophobicContact CD1-CG1 4.44Å; L351-V416 HydrophobicContact CD1-CG2 3.79Å; I395-V416 HydrophobicContact CG2-CG1 3.92Å; Q396-V416 CarbonylContact O-C 3.54Å; Q396-V416 WeakPolarHBondContact O-CA 3.02Å; V416-V418 HydrophobicContact CG1-CG2 4.46Å
417Y94Very high90.8Very high53 Ų5339.9 Ų39.921%0.20819%0.185CC..EExtended strand (participates in β ladder)trans-101.6139173.4-55.8-94.6000109.5W309 I310 Q311 I395 Q396 K398 V415W309-Y417 HydrophobicContact CB-CD1 4.44Å; I310-Y417 CarbonylContact O-C 3.45Å; I310-Y417 VanDerWaalsContact O-CA 3.23Å; I310-Y417 WeakPolarHBondContact O-CA 3.49Å; Q311-Y417 HydrophobicContact CB-CD1 3.96Å; Q311-Y417 HydrophobicContact CB-CE1 3.79Å; Q311-Y417 HydrophobicContact CG-CD1 4.12Å; Q311-Y417 HydrophobicContact CG-CE1 3.59Å; I395-Y417 CarbonylContact C-O 3.53Å; I395-Y417 VanDerWaalsContact CA-O 3.32Å; I395-Y417 WeakPolarHBondContact CA-O 3.48Å; Q396-Y417 HydrophobicContact CB-CD2 4.27Å; Q396-Y417 PolarHBondContact N-O 2.85Å; Q396-Y417 PolarHBondContact O-N 3.5Å; K398-Y417 HydrophobicContact CB-CE2 4.23Å; V415-Y417 HydrophobicContact CB-CE2 4.06Å; V415-Y417 HydrophobicContact CG1-CD2 4.25Å; V415-Y417 HydrophobicContact CG1-CE1 4.1Å; V415-Y417 HydrophobicContact CG1-CE2 3.6Å
418V93.3Very high90.9Very high2 Ų236.3 Ų36.31%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-123.3133.9178-179.10000108.7W309 I310 L312 L353 F361 N394 V416 V420 F422 V423W309-V418 VanDerWaalsContact CE3-C 3.49Å; I310-V418 HydrophobicContact CB-CB 4.47Å; I310-V418 WeakPolarHBondContact CB-O 3.4Å; I310-V418 PolarHBondContact N-O 2.62Å; I310-V418 PolarHBondContact O-N 3.35Å; L312-V418 HydrophobicContact CD1-CG2 4.15Å; L353-V418 HydrophobicContact CD2-CG2 3.59Å; F361-V418 HydrophobicContact CE1-CG1 3.47Å; F361-V418 VanDerWaalsContact CE1-CG1 3.47Å; F361-V418 HydrophobicContact CE1-CG2 4.26Å; F361-V418 HydrophobicContact CZ-CG1 3.65Å; N394-V418 WeakPolarHBondContact O-CA 3.23Å; V416-V418 HydrophobicContact CG1-CG2 4.46Å; V418-V420 PolarHBondContact O-N 3.04Å; V418-F422 HydrophobicContact CG1-CD1 4.01Å; V418-V423 HydrophobicContact CG1-CG2 3.76Å
419S92.5Very high90.2Very high11 Ų1134.9 Ų34.98%0.07717%0.172CC..EExtended strand (participates in β ladder)trans-67.2134.4176.2178.80000110.9G308 N394 L421 F422 V423G308-S419 WeakPolarHBondContact O-CA 3.35Å; N394-S419 PolarHBondContact O-N 3.23Å; S419-L421 PolarHBondContact O-N 2.71Å; S419-L421 PolarHBondContact OG-N 3.38Å; S419-F422 WeakPolarHBondContact O-CB 3.34Å; S419-F422 PolarHBondContact O-N 3.07Å; S419-V423 PolarHBondContact O-N 2.68Å; S419-V423 VanDerWaalsContact O-N 3.16Å
420V89Confident89.2Confident18 Ų1841.8 Ų41.811%0.10921%0.21CC..Hα-helixtrans-56.6-38.3172.1173.60000110.7I305 G308 I310 V418 F422 V423 N424I305-V420 HydrophobicContact CG2-CG2 3.71Å; G308-V420 WeakPolarHBondContact O-CG2 3.22Å; G308-V420 PolarHBondContact O-N 3.22Å; I310-V420 HydrophobicContact CD1-CB 4.38Å; I310-V420 HydrophobicContact CD1-CG2 3.72Å; I310-V420 HydrophobicContact CG1-CG2 3.82Å; V418-V420 PolarHBondContact O-N 3.04Å; V420-F422 VanDerWaalsContact C-N 3.25Å; V420-F422 PolarHBondContact O-N 3.11Å; V420-V423 PolarHBondContact O-N 3.41Å; V420-N424 VanDerWaalsContact O-CB 3.32Å; V420-N424 WeakPolarHBondContact O-CB 3.47Å; V420-N424 VanDerWaalsContact O-CG 3.23Å; V420-N424 PolarHBondContact O-N 3.27Å; V420-N424 PolarHBondContact O-OD1 3.39Å
421L89.1Confident87.8Confident136 Ų13642.3 Ų42.371%0.71221%0.211SC*.Hα-helixtrans-60-37.2176.2-66.2174.8000112.2S419 K425S419-L421 PolarHBondContact O-N 2.71Å; S419-L421 PolarHBondContact OG-N 3.38Å; L421-K425 WeakPolarHBondContact O-CB 3.38Å; L421-K425 PolarHBondContact O-N 3.11Å
422F89.8Confident87.4Confident40 Ų4044.4 Ų44.418%0.17522%0.221CC..Hα-helixtrans-70.1-41.6178.7-174.9-123.1000111.5F361 N394 V418 S419 V420 K425 H426F361-F422 HydrophobicContact CD1-CE1 4.05Å; F361-F422 AromaticContact CE1-CD1 3.67Å; F361-F422 HydrophobicContact CE1-CD1 3.67Å; F361-F422 AromaticContact CE1-CE1 3.57Å; F361-F422 HydrophobicContact CE1-CE1 3.57Å; F361-F422 HydrophobicContact CE2-CD1 4.2Å; F361-F422 HydrophobicContact CE2-CE1 4.12Å; F361-F422 HydrophobicContact CG-CE1 4.49Å; F361-F422 AromaticContact CZ-CD1 3.43Å; F361-F422 HydrophobicContact CZ-CD1 3.43Å; F361-F422 VanDerWaalsContact CZ-CD1 3.43Å; F361-F422 AromaticContact CZ-CE1 3.6Å; F361-F422 HydrophobicContact CZ-CE1 3.6Å; F361-F422 HydrophobicContact CZ-CG 4.42Å; F361-F422 WeakPolarHBondContact O-CE1 3.31Å; F361-F422 VanDerWaalsContact O-CZ 3.23Å; F361-F422 WeakPolarHBondContact O-CZ 3.22Å; N394-F422 HydrophobicContact CB-CB 4.02Å; N394-F422 HydrophobicContact CB-CD1 3.94Å; N394-F422 HydrophobicContact CB-CD2 3.9Å; N394-F422 HydrophobicContact CB-CE1 4.39Å; N394-F422 HydrophobicContact CB-CE2 4.37Å; N394-F422 HydrophobicContact CB-CG 3.68Å; N394-F422 WeakPolarHBondContact OD1-CD2 3.24Å; V418-F422 HydrophobicContact CG1-CD1 4.01Å; S419-F422 WeakPolarHBondContact O-CB 3.34Å; S419-F422 PolarHBondContact O-N 3.07Å; V420-F422 VanDerWaalsContact C-N 3.25Å; V420-F422 PolarHBondContact O-N 3.11Å; F422-K425 PolarHBondContact O-N 3.27Å; F422-H426 PolarHBondContact O-N 3.16Å
423V87.9Confident87.1Confident1 Ų146.7 Ų46.71%0.00623%0.233CC..Hα-helixtrans-62-50.8173.4174.80000111.3L274 I310 F361 V418 S419 V420 K425 H426 F427 Y431L274-V423 HydrophobicContact CD1-CG1 4.11Å; L274-V423 HydrophobicContact CD1-CG2 4.1Å; L274-V423 HydrophobicContact CD2-CG1 3.99Å; I310-V423 HydrophobicContact CD1-CB 4.26Å; I310-V423 HydrophobicContact CD1-CG2 3.59Å; F361-V423 HydrophobicContact CE2-CG2 4.24Å; F361-V423 HydrophobicContact CZ-CG2 3.64Å; V418-V423 HydrophobicContact CG1-CG2 3.76Å; S419-V423 PolarHBondContact O-N 2.68Å; S419-V423 VanDerWaalsContact O-N 3.16Å; V420-V423 PolarHBondContact O-N 3.41Å; V423-K425 PolarHBondContact O-N 2.94Å; V423-H426 PolarHBondContact O-N 3.24Å; V423-F427 HydrophobicContact CG1-CD2 3.75Å; V423-F427 HydrophobicContact CG1-CE2 4.02Å; V423-F427 WeakPolarHBondContact O-CD2 3.29Å; V423-F427 PolarHBondContact O-N 2.85Å; V423-Y431 HydrophobicContact CG1-CD2 3.88Å; V423-Y431 HydrophobicContact CG1-CE2 4Å
424N86.3Confident86.6Confident17 Ų1748.6 Ų48.69%0.09124%0.24CC..Hα-helixtrans-54.7-42.6179.1-76.91.1000111.4V420 S428 R429 D430 Y431V420-N424 VanDerWaalsContact O-CB 3.32Å; V420-N424 WeakPolarHBondContact O-CB 3.47Å; V420-N424 VanDerWaalsContact O-CG 3.23Å; V420-N424 PolarHBondContact O-N 3.27Å; V420-N424 PolarHBondContact O-OD1 3.39Å; N424-S428 CarbonylContact O-C 3.46Å; N424-S428 WeakPolarHBondContact O-CA 3.41Å; N424-S428 PolarHBondContact O-N 3.22Å; N424-R429 WeakPolarHBondContact CA-O 3.39Å; N424-R429 WeakPolarHBondContact CB-O 3.03Å; N424-R429 PolarHBondContact O-N 3.44Å; N424-D430 PolarHBondContact ND2-OD1 3.18Å; N424-Y431 PolarHBondContact ND2-N 3.19Å; N424-Y431 VanDerWaalsContact OD1-CB 3.31Å; N424-Y431 WeakPolarHBondContact OD1-CB 3.29Å; N424-Y431 VanDerWaalsContact OD1-CD2 3.29Å; N424-Y431 WeakPolarHBondContact OD1-CD2 3.26Å; N424-Y431 PolarHBondContact OD1-N 3.16Å
425K86.8Confident86Confident170 Ų17051.4 Ų51.474%0.73925%0.254SS*.Hα-helixtrans-66.8-40.2175.7-174.9178.3178.91800113L421 F422 V423L421-K425 WeakPolarHBondContact O-CB 3.38Å; L421-K425 PolarHBondContact O-N 3.11Å; F422-K425 PolarHBondContact O-N 3.27Å; V423-K425 PolarHBondContact O-N 2.94Å
426H86.3Confident85.4Confident44 Ų4453.9 Ų53.920%0.20427%0.266CS..Hα-helixtrans-67.5-43.4-177.8-175.181.3000112.3P263 D355 F361 F422 V423P263-H426 WeakPolarHBondContact CB-O 3.34Å; D355-H426 IonicContact OD2-CD2 3.43Å; D355-H426 IonicContact OD2-CE1 3.23Å; D355-H426 IonicContact OD2-NE2 2.71Å; D355-H426 PolarHBondContact OD2-NE2 2.86Å; F361-H426 HydrophobicContact CD2-CB 4.1Å; F361-H426 AromaticContact CD2-CD2 3.56Å; F361-H426 AromaticContact CD2-CG 3.62Å; F361-H426 AromaticContact CD2-ND1 3.94Å; F361-H426 AromaticContact CD2-NE2 3.8Å; F361-H426 HydrophobicContact CE2-CB 3.72Å; F361-H426 AromaticContact CE2-CD2 3.94Å; F361-H426 AromaticContact CE2-CG 3.79Å; F422-H426 PolarHBondContact O-N 3.16Å; V423-H426 PolarHBondContact O-N 3.24Å
427F84.1Confident84.7Confident8 Ų857.5 Ų57.54%0.03528%0.284CS..Hα-helixtrans-94.5-4.8-179.9-62.7-71.7000114P264 D266 Y277 D355 F357 F361 V423 R429P264-F427 HydrophobicContact CG-CD1 3.79Å; P264-F427 HydrophobicContact CG-CE1 3.75Å; D266-F427 HydrophobicContact CB-CB 4.1Å; D266-F427 HydrophobicContact CB-CD1 3.73Å; D266-F427 HydrophobicContact CB-CE1 4.46Å; D266-F427 HydrophobicContact CB-CG 4.12Å; D266-F427 WeakPolarHBondContact OD2-CG 3.41Å; Y277-F427 WeakPolarHBondContact OH-CE2 3.24Å; D355-F427 HydrophobicContact CB-CZ 3.99Å; F357-F427 HydrophobicContact CD2-CE1 4.26Å; F357-F427 AromaticContact CE2-CE1 3.91Å; F357-F427 HydrophobicContact CE2-CE1 3.91Å; F361-F427 HydrophobicContact CE2-CE2 4.41Å; V423-F427 HydrophobicContact CG1-CD2 3.75Å; V423-F427 HydrophobicContact CG1-CE2 4.02Å; V423-F427 WeakPolarHBondContact O-CD2 3.29Å; V423-F427 PolarHBondContact O-N 2.85Å; F427-R429 HydrophobicContact CB-CB 4.46Å; F427-R429 HydrophobicContact CB-CG 4.25Å
428S81.3Confident84.1Confident85 Ų8557.9 Ų57.959%0.59429%0.289SS*.THydrogen-bonded Turntrans54.353-172.2-62.70000112.5P263 N424P263-S428 WeakPolarHBondContact CG-OG 3.36Å; N424-S428 CarbonylContact O-C 3.46Å; N424-S428 WeakPolarHBondContact O-CA 3.41Å; N424-S428 PolarHBondContact O-N 3.22Å
429R74.1Confident83.4Confident75 Ų7562.2 Ų62.228%0.28331%0.311SS..  trans-131.9175.5-177.8-74.5-171169.3-166.3-0.9111.8D266 I268 N424 F427 Y431D266-R429 IonicContact OD1-CZ 3.56Å; D266-R429 VanDerWaalsContact OD1-CZ 3.3Å; D266-R429 IonicContact OD1-NH1 3.26Å; D266-R429 PolarHBondContact OD1-NH1 2.89Å; D266-R429 IonicContact OD1-NH2 3.3Å; D266-R429 VanDerWaalsContact OD2-CD 3.29Å; D266-R429 WeakPolarHBondContact OD2-CD 3.18Å; D266-R429 IonicContact OD2-CZ 3.68Å; D266-R429 IonicContact OD2-NE 3.68Å; D266-R429 IonicContact OD2-NH1 3.56Å; D266-R429 PolarHBondContact OD2-NH1 2.98Å; I268-R429 PolarHBondContact O-NH1 3.37Å; N424-R429 WeakPolarHBondContact CA-O 3.39Å; N424-R429 WeakPolarHBondContact CB-O 3.03Å; N424-R429 PolarHBondContact O-N 3.44Å; F427-R429 HydrophobicContact CB-CB 4.46Å; F427-R429 HydrophobicContact CB-CG 4.25Å; R429-Y431 HydrophobicContact CB-CD2 4.09Å; R429-Y431 HydrophobicContact CB-CE2 3.96Å; R429-Y431 PolarHBondContact NH1-OH 2.9Å
430D71.8Confident82.6Confident151 Ų15166.4 Ų66.481%0.80733%0.33SS*.  trans-128.791.4174.4-159.117.6000108.9N424N424-D430 PolarHBondContact ND2-OD1 3.18Å
431Y65.1Low82Confident52 Ų5270.8 Ų70.820%0.20435%0.35CS..  trans-82.80177.6-80.5-85.8000113.3D266 P270 L274 V423 N424 R429D266-Y431 VanDerWaalsContact CG-OH 3.3Å; D266-Y431 PolarHBondContact OD1-OH 3.28Å; D266-Y431 PolarHBondContact OD2-OH 3.2Å; P270-Y431 HydrophobicContact CB-CD1 3.93Å; P270-Y431 HydrophobicContact CB-CE1 3.94Å; P270-Y431 HydrophobicContact CG-CE1 4.26Å; L274-Y431 HydrophobicContact CD2-CE1 4.33Å; V423-Y431 HydrophobicContact CG1-CD2 3.88Å; V423-Y431 HydrophobicContact CG1-CE2 4Å; N424-Y431 PolarHBondContact ND2-N 3.19Å; N424-Y431 VanDerWaalsContact OD1-CB 3.31Å; N424-Y431 WeakPolarHBondContact OD1-CB 3.29Å; N424-Y431 VanDerWaalsContact OD1-CD2 3.29Å; N424-Y431 WeakPolarHBondContact OD1-CD2 3.26Å; N424-Y431 PolarHBondContact OD1-N 3.16Å; R429-Y431 HydrophobicContact CB-CD2 4.09Å; R429-Y431 HydrophobicContact CB-CE2 3.96Å; R429-Y431 PolarHBondContact NH1-OH 2.9Å

Retrieved 431 of 431 residues in 283 ms (Link to these results)

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