A0A096NUX4_PAPAN Loading...

Microtubule-associated protein RP/EB family member 1

AlphaFold DB (A0A2K6MRI3), UniProt , Accession A0A096NUX4, Species PAPAN (Papio anubis, Olive baboon), Gene MAPRE1, Length 268 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
1M87.6Confident78.1Confident178 Ų17887.8 Ų87.888%0.87751%0.508SS*.  0143.20-66.3-63.9-9100107.1M85M1-M85 CarbonylContact C-O 3.36Å; M1-M85 WeakPolarHBondContact CA-O 3.45Å
2A95.5Very high76.7Confident10 Ų1088.3 Ų88.38%0.08352%0.521CS..PPolyproline II helixtrans-77.1152178.500000111.2F52 M85 V87 F114A2-F52 HydrophobicContact CB-CE1 4.4Å; A2-F52 HydrophobicContact CB-CE2 3.83Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; A2-M85 HydrophobicContact CB-CB 4.13Å; A2-M85 PolarHBondContact N-O 2.81Å; A2-V87 HydrophobicContact CB-CG2 3.76Å; A2-F114 HydrophobicContact CB-CE2 3.89Å; A2-F114 HydrophobicContact CB-CZ 3.92Å
3V95.9Very high76.9Confident85 Ų8593.3 Ų93.352%0.51554%0.544SS..PPolyproline II helixtrans-78.9118167.8-178.60000107.9F114 A117 N118V3-F114 WeakPolarHBondContact O-CE2 3.45Å; V3-A117 HydrophobicContact CG1-CB 4.44Å; V3-N118 PolarHBondContact N-OD1 3.44Å; V3-N118 PolarHBondContact O-ND2 3.02Å
4N94.6Very high77.5Confident42 Ų4294.5 Ų94.523%0.22555%0.547CS..PPolyproline II helixtrans-79148.6176.3-73.3-63.5000110.9Y6 G86 V87 D88N4-Y6 HydrophobicContact CB-CE2 4.22Å; N4-G86 PolarHBondContact ND2-O 3.09Å; N4-G86 VanDerWaalsContact ND2-O 3.09Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.45Å; N4-D88 PolarHBondContact OD1-N 3.07Å; N4-D88 VanDerWaalsContact OD1-N 3.14Å; N4-D88 PolarHBondContact OD1-OD1 3.47Å
5V91.9Very high78.5Confident22 Ų2291.3 Ų91.313%0.13353%0.526CS..  trans-126.5135.7178.5-175.50000109.1W110 K113 A117V5-W110 PolarHBondContact O-NE1 2.94Å; V5-K113 HydrophobicContact CG1-CB 3.99Å; V5-A117 HydrophobicContact CG2-CB 3.61Å
6Y85.3Confident79.5Confident131 Ų13188.8 Ų88.851%0.51452%0.516SS..  trans-119141178.1-51.8-79.5000109.3N4 T8 D88N4-Y6 HydrophobicContact CB-CE2 4.22Å; Y6-T8 PolarHBondContact O-N 3.34Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.4Å; Y6-D88 PolarHBondContact OH-OD2 2.89Å
7S68.4Low80.4Confident98 Ų9889.5 Ų89.569%0.68551%0.508SS*.  trans-66.3100.7172.6-66.90000108.6
8T65.6Low81.3Confident83 Ų8390.8 Ų90.851%0.50951%0.509SS..  trans-116.9153.516658.70000107.4Y6 V10 T11Y6-T8 PolarHBondContact O-N 3.34Å; T8-V10 PolarHBondContact O-N 3.15Å; T8-T11 PolarHBondContact O-N 3.35Å; T8-T11 VanDerWaalsContact O-N 3.13Å; T8-T11 PolarHBondContact O-OG1 3.15Å; T8-T11 VanDerWaalsContact O-OG1 3.07Å
9S57.8Low82.1Confident136 Ų13690.7 Ų90.795%0.95151%0.507SS*.THydrogen-bonded Turntrans-59.8-3.7-176.9-44.30000114.6
10V58.9Low82.9Confident139 Ų13986.2 Ų86.284%0.84248%0.482SS*.THydrogen-bonded Turntrans-108.35.3-175.7-167.50000112.3T8T8-V10 PolarHBondContact O-N 3.15Å
11T57.6Low83.6Confident42 Ų4282.7 Ų82.726%0.25846%0.462SS..SBendtrans-80.6148.1177.156.50000111.6T8 K113T8-T11 PolarHBondContact O-N 3.35Å; T8-T11 VanDerWaalsContact O-N 3.13Å; T8-T11 PolarHBondContact O-OG1 3.15Å; T8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-K113 PolarHBondContact OG1-NZ 3.35Å
12S61.7Low84.1Confident94 Ų9476 Ų7666%0.65744%0.436SS*.  trans-40.2146.3178.2-51.70000113.5N14 K113S12-N14 PolarHBondContact O-N 3.24Å; S12-K113 VanDerWaalsContact O-CE 3.24Å; S12-K113 WeakPolarHBondContact O-CE 3.32Å; S12-K113 PolarHBondContact O-NZ 2.94Å
13D78.6Confident84.2Confident153 Ų15377 Ų7782%0.81844%0.437SS*.PPolyproline II helixtrans-49.6137.7-177.6-62.9-33.8000111.7
14N86.2Confident84.4Confident110 Ų11073 Ų7359%0.58841%0.413SS*.PPolyproline II helixtrans-67.1135177.9-69.4-31.4000109.5S12 K113S12-N14 PolarHBondContact O-N 3.24Å; N14-K113 WeakPolarHBondContact OD1-CE 3.38Å; N14-K113 PolarHBondContact OD1-NZ 3.24Å
15L91.8Very high84.5Confident46 Ų4672.4 Ų72.424%0.24141%0.409CS..PPolyproline II helixtrans-71.4148.1178.5-86.168.7000110.3D19 M20 Q109 K112L15-D19 HydrophobicContact CB-CB 4.32Å; L15-D19 HydrophobicContact CD2-CB 4.21Å; L15-D19 HydrophobicContact CG-CB 4.3Å; L15-M20 HydrophobicContact CB-CB 4.46Å; L15-M20 HydrophobicContact CB-CE 3.91Å; L15-M20 HydrophobicContact CD2-CE 4.47Å; L15-Q109 PolarHBondContact O-NE2 2.95Å; L15-K112 HydrophobicContact CD1-CG 4.29Å; L15-K112 HydrophobicContact CD2-CG 4.42Å
16S94.8Very high84.8Confident52 Ų5278.5 Ų78.536%0.36444%0.437SS..PPolyproline II helixtrans-65.6163.2168.482.50000110.7H18 D19 M20S16-H18 PolarHBondContact O-N 2.9Å; S16-H18 PolarHBondContact OG-N 3.43Å; S16-D19 WeakPolarHBondContact CB-OD2 3.44Å; S16-D19 PolarHBondContact O-N 3.5Å; S16-D19 PolarHBondContact OG-N 3.43Å; S16-D19 PolarHBondContact OG-OD2 2.98Å; S16-M20 VanDerWaalsContact O-CB 3.32Å; S16-M20 WeakPolarHBondContact O-CB 3.4Å; S16-M20 PolarHBondContact O-N 2.87Å
17R95.1Very high85.3Confident100 Ų10073.8 Ų73.838%0.37742%0.423SS..Hα-helixtrans-53.7-41.6173.2174.6179.660.693.7-3112.1L21 I35 F101 F105R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.12Å; R17-L21 VanDerWaalsContact O-N 3.16Å; R17-I35 HydrophobicContact CG-CG1 3.91Å; R17-F101 HydrophobicContact CG-CE2 4.26Å; R17-F105 HydrophobicContact CB-CE2 4.37Å; R17-F105 HydrophobicContact CB-CZ 4.45Å
18H95.3Very high86.7Confident113 Ų11369.1 Ų69.152%0.52339%0.39SS..Hα-helixtrans-69.4-47.3-177.6-72.894.1000111.1S16 M20 L21 A22S16-H18 PolarHBondContact O-N 2.9Å; S16-H18 PolarHBondContact OG-N 3.43Å; H18-M20 VanDerWaalsContact C-N 3.28Å; H18-M20 PolarHBondContact O-N 3.11Å; H18-L21 PolarHBondContact O-N 3.39Å; H18-A22 WeakPolarHBondContact O-CB 3.47Å; H18-A22 PolarHBondContact O-N 3.43Å
19D97.3Very high88.2Confident90 Ų9070.9 Ų70.948%0.48139%0.393SS..Hα-helixtrans-65.1-35.7-180-54.5-41.9000111.5L15 S16 A22 W23L15-D19 HydrophobicContact CB-CB 4.32Å; L15-D19 HydrophobicContact CD2-CB 4.21Å; L15-D19 HydrophobicContact CG-CB 4.3Å; S16-D19 WeakPolarHBondContact CB-OD2 3.44Å; S16-D19 PolarHBondContact O-N 3.5Å; S16-D19 PolarHBondContact OG-N 3.43Å; S16-D19 PolarHBondContact OG-OD2 2.98Å; D19-A22 PolarHBondContact O-N 3.33Å; D19-W23 WeakPolarHBondContact O-CB 3.29Å; D19-W23 PolarHBondContact O-N 2.82Å
20M98Very high90Very high0 Ų065.4 Ų65.40%035%0.352CS..Hα-helixtrans-63-45.8175.4-171.164.274.900111.6L15 S16 H18 W23 I24 I35 F105 V108 Q109 K112L15-M20 HydrophobicContact CB-CB 4.46Å; L15-M20 HydrophobicContact CB-CE 3.91Å; L15-M20 HydrophobicContact CD2-CE 4.47Å; S16-M20 VanDerWaalsContact O-CB 3.32Å; S16-M20 WeakPolarHBondContact O-CB 3.4Å; S16-M20 PolarHBondContact O-N 2.87Å; H18-M20 VanDerWaalsContact C-N 3.28Å; H18-M20 PolarHBondContact O-N 3.11Å; M20-W23 HydrophobicContact SD-CE3 3.5Å; M20-W23 HydrophobicContact SD-CZ3 3.69Å; M20-I24 HydrophobicContact CG-CD1 4.18Å; M20-I24 WeakPolarHBondContact O-CD1 3.38Å; M20-I24 VanDerWaalsContact O-CG1 3.29Å; M20-I24 WeakPolarHBondContact O-CG1 3.44Å; M20-I24 PolarHBondContact O-N 3.39Å; M20-I24 VanDerWaalsContact O-N 3.1Å; M20-I35 HydrophobicContact CB-CD1 4.13Å; M20-I35 HydrophobicContact CG-CD1 3.87Å; M20-F105 HydrophobicContact CB-CE2 4.36Å; M20-V108 HydrophobicContact CE-CG1 4.14Å; M20-V108 HydrophobicContact CE-CG2 4.45Å; M20-V108 HydrophobicContact CG-CG1 3.8Å; M20-V108 HydrophobicContact CG-CG2 3.9Å; M20-V108 HydrophobicContact SD-CB 4.49Å; M20-V108 HydrophobicContact SD-CG1 4.15Å; M20-V108 HydrophobicContact SD-CG2 3.65Å; M20-Q109 HydrophobicContact CE-CG 4.21Å; M20-Q109 VanDerWaalsContact CE-OE1 3.25Å; M20-K112 HydrophobicContact CE-CB 3.96Å; M20-K112 HydrophobicContact CE-CG 4.41Å; M20-K112 HydrophobicContact SD-CB 4.14Å
21L97.9Very high91.7Very high13 Ų1364.8 Ų64.87%0.06834%0.344CS..Hα-helixtrans-66-42.7176.7-74.5171.4000111.7R17 H18 I24 N25 L32 I35R17-L21 HydrophobicContact CG-CD1 4.33Å; R17-L21 WeakPolarHBondContact O-CG 3.39Å; R17-L21 PolarHBondContact O-N 3.12Å; R17-L21 VanDerWaalsContact O-N 3.16Å; H18-L21 PolarHBondContact O-N 3.39Å; L21-I24 PolarHBondContact O-N 2.93Å; L21-N25 VanDerWaalsContact O-CB 3.29Å; L21-N25 WeakPolarHBondContact O-CB 3.27Å; L21-N25 PolarHBondContact O-N 3.07Å; L21-N25 PolarHBondContact O-ND2 2.66Å; L21-L32 HydrophobicContact CD2-CB 3.84Å; L21-I35 HydrophobicContact CD2-CD1 3.89Å; L21-I35 HydrophobicContact CD2-CG1 4.41Å; L21-I35 HydrophobicContact CG-CD1 3.84Å; L21-I35 HydrophobicContact CG-CG1 4.33Å
22A98.1Very high93.4Very high38 Ų3863.5 Ų63.531%0.31434%0.336SS..Hα-helixtrans-57.3-50.5175.500000110.7H18 D19 I24 N25 E26H18-A22 WeakPolarHBondContact O-CB 3.47Å; H18-A22 PolarHBondContact O-N 3.43Å; D19-A22 PolarHBondContact O-N 3.33Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 3.1Å; A22-N25 PolarHBondContact O-N 2.72Å; A22-E26 WeakPolarHBondContact O-CB 3.25Å; A22-E26 VanDerWaalsContact O-CG 3.28Å; A22-E26 WeakPolarHBondContact O-CG 3.32Å; A22-E26 PolarHBondContact O-N 2.99Å
23W98.3Very high95Very high30 Ų3063 Ų6311%0.11433%0.329CS..Hα-helixtrans-54.9-47.6176.6165.660.4000112.5D19 M20 S27 F47 V108 F111 K112 F115D19-W23 WeakPolarHBondContact O-CB 3.29Å; D19-W23 PolarHBondContact O-N 2.82Å; M20-W23 HydrophobicContact SD-CE3 3.5Å; M20-W23 HydrophobicContact SD-CZ3 3.69Å; W23-S27 VanDerWaalsContact CD1-OG 3.28Å; W23-S27 PolarHBondContact NE1-OG 3.16Å; W23-S27 WeakPolarHBondContact O-CB 3.16Å; W23-S27 PolarHBondContact O-N 2.96Å; W23-S27 PolarHBondContact O-OG 2.67Å; W23-F47 HydrophobicContact CH2-CE1 4.27Å; W23-F47 AromaticContact CH2-CE2 3.97Å; W23-F47 HydrophobicContact CH2-CE2 3.97Å; W23-F47 AromaticContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CZ2-CD1 4.45Å; W23-F47 AromaticContact CZ2-CE1 3.74Å; W23-F47 HydrophobicContact CZ2-CE1 3.74Å; W23-F47 HydrophobicContact CZ2-CE2 4.25Å; W23-F47 AromaticContact CZ2-CZ 3.62Å; W23-F47 HydrophobicContact CZ2-CZ 3.62Å; W23-F47 HydrophobicContact CZ3-CE2 4.38Å; W23-F47 HydrophobicContact CZ3-CZ 4.32Å; W23-V108 HydrophobicContact CZ3-CG2 4.35Å; W23-F111 HydrophobicContact CH2-CD1 4.27Å; W23-K112 HydrophobicContact CD2-CD 3.56Å; W23-K112 VanDerWaalsContact CE2-CD 3.45Å; W23-K112 HydrophobicContact CE3-CB 4.47Å; W23-K112 HydrophobicContact CE3-CD 3.67Å; W23-K112 HydrophobicContact CE3-CG 4.42Å; W23-K112 HydrophobicContact CG-CD 4.29Å; W23-K112 HydrophobicContact CH2-CB 4.13Å; W23-K112 HydrophobicContact CH2-CD 3.62Å; W23-K112 HydrophobicContact CH2-CG 4.49Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.95Å; W23-K112 HydrophobicContact CZ3-CD 3.71Å; W23-K112 HydrophobicContact CZ3-CG 4.32Å; W23-F115 HydrophobicContact CH2-CB 4.38Å; W23-F115 HydrophobicContact CH2-CG 4.5Å; W23-F115 HydrophobicContact CZ2-CB 4.09Å; W23-F115 AromaticContact CZ2-CD1 3.89Å; W23-F115 HydrophobicContact CZ2-CD1 3.89Å; W23-F115 HydrophobicContact CZ2-CD2 4.25Å; W23-F115 HydrophobicContact CZ2-CE1 4.42Å; W23-F115 AromaticContact CZ2-CG 3.8Å; W23-F115 HydrophobicContact CZ2-CG 3.8Å
24I98.3Very high95.8Very high0 Ų060.5 Ų60.50%031%0.311CS..Hα-helixtrans-64.7-46.1-179.9-65.9159.6000111.1M20 L21 A22 S27 L28 L30 L32 L38 F47 V108M20-I24 HydrophobicContact CG-CD1 4.18Å; M20-I24 WeakPolarHBondContact O-CD1 3.38Å; M20-I24 VanDerWaalsContact O-CG1 3.29Å; M20-I24 WeakPolarHBondContact O-CG1 3.44Å; M20-I24 PolarHBondContact O-N 3.39Å; M20-I24 VanDerWaalsContact O-N 3.1Å; L21-I24 PolarHBondContact O-N 2.93Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 3.1Å; I24-S27 PolarHBondContact O-N 2.78Å; I24-L28 WeakPolarHBondContact O-CB 3.37Å; I24-L28 PolarHBondContact O-N 3Å; I24-L30 HydrophobicContact CG2-CD1 4.16Å; I24-L32 HydrophobicContact CG2-CD1 3.79Å; I24-L38 HydrophobicContact CD1-CD1 3.69Å; I24-L38 HydrophobicContact CD1-CD2 3.97Å; I24-L38 HydrophobicContact CD1-CG 4.34Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.29Å; I24-F47 HydrophobicContact CG2-CE2 4.26Å; I24-V108 HydrophobicContact CD1-CG2 3.97Å
25N97.6Very high96.4Very high30 Ų3055.3 Ų55.316%0.1628%0.283CS..Hα-helixtrans-65.9-41.8-176.8-74-20.9000111.7L21 A22 Q29 L30 N31 L32L21-N25 VanDerWaalsContact O-CB 3.29Å; L21-N25 WeakPolarHBondContact O-CB 3.27Å; L21-N25 PolarHBondContact O-N 3.07Å; L21-N25 PolarHBondContact O-ND2 2.66Å; A22-N25 PolarHBondContact O-N 2.72Å; N25-Q29 CarbonylContact O-C 3.56Å; N25-Q29 WeakPolarHBondContact O-CA 3.38Å; N25-Q29 PolarHBondContact O-N 2.9Å; N25-L30 VanDerWaalsContact CB-O 3.31Å; N25-L30 WeakPolarHBondContact CB-O 3.4Å; N25-L30 PolarHBondContact O-N 2.75Å; N25-L30 VanDerWaalsContact OD1-C 3.29Å; N25-L30 PolarHBondContact OD1-O 3.21Å; N25-N31 PolarHBondContact OD1-N 2.83Å; N25-L32 PolarHBondContact ND2-N 3.5Å; N25-L32 PolarHBondContact ND2-O 3.3Å; N25-L32 WeakPolarHBondContact OD1-CB 3.45Å; N25-L32 PolarHBondContact OD1-N 3.22Å
26E97.6Very high96.7Very high151 Ų15155.9 Ų55.971%0.70628%0.284SS*.Hα-helixtrans-68.7-45.9176.6-69.9169.7-167.500111.3A22 L28A22-E26 WeakPolarHBondContact O-CB 3.25Å; A22-E26 VanDerWaalsContact O-CG 3.28Å; A22-E26 WeakPolarHBondContact O-CG 3.32Å; A22-E26 PolarHBondContact O-N 2.99Å; E26-L28 PolarHBondContact O-N 2.93Å
27S97.4Very high96.8Very high32 Ų3254.2 Ų54.222%0.22427%0.271CS..Hα-helixtrans-67.1-38.4-176.6-57.90000112.9W23 I24 M50W23-S27 VanDerWaalsContact CD1-OG 3.28Å; W23-S27 PolarHBondContact NE1-OG 3.16Å; W23-S27 WeakPolarHBondContact O-CB 3.16Å; W23-S27 PolarHBondContact O-N 2.96Å; W23-S27 PolarHBondContact O-OG 2.67Å; I24-S27 PolarHBondContact O-N 2.78Å; S27-M50 WeakPolarHBondContact O-CE 3.28Å
28L97.5Very high97Very high0 Ų049.5 Ų49.50%025%0.253CS..Hα-helixtrans-109.84.4-174.5-63.3-175.6000113.4I24 E26 L30 A43 Q46 F47 M50 Y124 P126 R130I24-L28 WeakPolarHBondContact O-CB 3.37Å; I24-L28 PolarHBondContact O-N 3Å; E26-L28 PolarHBondContact O-N 2.93Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 HydrophobicContact CB-CD1 3.85Å; L28-L30 HydrophobicContact CB-CD2 4.45Å; L28-L30 HydrophobicContact CB-CG 3.69Å; L28-L30 HydrophobicContact CD1-CD1 4.13Å; L28-L30 PolarHBondContact O-N 3.06Å; L28-A43 HydrophobicContact CD1-CB 4.07Å; L28-Q46 HydrophobicContact CD1-CB 4.22Å; L28-Q46 HydrophobicContact CD2-CB 4.31Å; L28-Q46 HydrophobicContact CD2-CG 3.89Å; L28-F47 HydrophobicContact CD1-CD1 4.26Å; L28-F47 HydrophobicContact CD1-CD2 3.69Å; L28-F47 HydrophobicContact CD1-CE1 4.13Å; L28-F47 HydrophobicContact CD1-CE2 3.52Å; L28-F47 HydrophobicContact CD1-CG 4.06Å; L28-F47 HydrophobicContact CD1-CZ 3.77Å; L28-F47 HydrophobicContact CD2-CD1 4.08Å; L28-F47 HydrophobicContact CD2-CE1 4.08Å; L28-F47 HydrophobicContact CD2-CZ 4.49Å; L28-F47 HydrophobicContact CG-CD1 4.22Å; L28-F47 HydrophobicContact CG-CD2 4.46Å; L28-F47 HydrophobicContact CG-CE1 3.84Å; L28-F47 HydrophobicContact CG-CE2 4.08Å; L28-F47 HydrophobicContact CG-CZ 3.77Å; L28-M50 HydrophobicContact CD2-CE 3.6Å; L28-Y124 HydrophobicContact CD2-CE1 4.32Å; L28-P126 HydrophobicContact CB-CB 4.46Å; L28-P126 HydrophobicContact CD2-CB 4.23Å; L28-P126 WeakPolarHBondContact O-CB 3.41Å; L28-R130 PolarHBondContact O-NH1 3.19Å; L28-R130 PolarHBondContact O-NH2 2.73Å
29Q96.8Very high97.1Very high119 Ų11944.4 Ų44.456%0.55623%0.231SC*.THydrogen-bonded Turntrans48.257.9-173.5-61.1-176.421.700111.1N25 P126 V127 R130N25-Q29 CarbonylContact O-C 3.56Å; N25-Q29 WeakPolarHBondContact O-CA 3.38Å; N25-Q29 PolarHBondContact O-N 2.9Å; Q29-P126 HydrophobicContact CB-CG 4.07Å; Q29-P126 HydrophobicContact CG-CG 3.84Å; Q29-V127 HydrophobicContact CB-CG2 4.06Å; Q29-R130 PolarHBondContact O-NH2 2.61Å; Q29-R130 VanDerWaalsContact O-NH2 3.1Å
30L94.8Very high97.1Very high21 Ų2140.8 Ų40.811%0.1121%0.212CC..  trans-113.2172.7178.1-57.3-176.6000110.2I24 N25 L28 L32 A43 T135I24-L30 HydrophobicContact CG2-CD1 4.16Å; N25-L30 VanDerWaalsContact CB-O 3.31Å; N25-L30 WeakPolarHBondContact CB-O 3.4Å; N25-L30 PolarHBondContact O-N 2.75Å; N25-L30 VanDerWaalsContact OD1-C 3.29Å; N25-L30 PolarHBondContact OD1-O 3.21Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-L30 HydrophobicContact CB-CD1 3.85Å; L28-L30 HydrophobicContact CB-CD2 4.45Å; L28-L30 HydrophobicContact CB-CG 3.69Å; L28-L30 HydrophobicContact CD1-CD1 4.13Å; L28-L30 PolarHBondContact O-N 3.06Å; L30-L32 HydrophobicContact CB-CG 4.29Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 HydrophobicContact CD1-CG 4.44Å; L30-A43 HydrophobicContact CD1-CB 4.33Å; L30-T135 HydrophobicContact CD1-CG2 4.26Å; L30-T135 HydrophobicContact CD2-CG2 3.42Å; L30-T135 VanDerWaalsContact CD2-CG2 3.42Å; L30-T135 WeakPolarHBondContact CD2-OG1 3.31Å; L30-T135 HydrophobicContact CG-CG2 4.48Å
31N94.6Very high97.2Very high126 Ų12640.8 Ų40.867%0.67421%0.212SC*.  trans-132.556.6175.1-165.95.6000110.7N25N25-N31 PolarHBondContact OD1-N 2.83Å
32L94.1Very high97.2Very high15 Ų1540.2 Ų40.28%0.07921%0.209CC..  trans-75.1132.9174.2-56.1-174.1000109.6L21 I24 N25 L30 Q37 L38L21-L32 HydrophobicContact CD2-CB 3.84Å; I24-L32 HydrophobicContact CG2-CD1 3.79Å; N25-L32 PolarHBondContact ND2-N 3.5Å; N25-L32 PolarHBondContact ND2-O 3.3Å; N25-L32 WeakPolarHBondContact OD1-CB 3.45Å; N25-L32 PolarHBondContact OD1-N 3.22Å; L30-L32 HydrophobicContact CB-CG 4.29Å; L30-L32 HydrophobicContact CD1-CD1 4.41Å; L30-L32 HydrophobicContact CD1-CG 4.44Å; L32-Q37 VanDerWaalsContact CA-OE1 3.28Å; L32-Q37 HydrophobicContact CD2-CB 3.92Å; L32-L38 HydrophobicContact CD1-CD2 3.75Å; L32-L38 HydrophobicContact CD1-CG 4.3Å
33T95.9Very high97.2Very high83 Ų8338.6 Ų38.651%0.50920%0.196SC..  trans-109.2-13.4177.456.50000112.2
34K95.6Very high97.2Very high102 Ų10237.2 Ų37.244%0.44319%0.191SC..  trans-140.8137.9-175.6-67.2-171.4-175.8-173.40110.5E36 Q37K34-E36 WeakPolarHBondContact CB-OE2 3.09Å; K34-E36 PolarHBondContact O-N 3.46Å; K34-Q37 HydrophobicContact CB-CG 4.14Å; K34-Q37 WeakPolarHBondContact O-CB 3.09Å; K34-Q37 PolarHBondContact O-N 3.26Å; K34-Q37 VanDerWaalsContact O-N 3.12Å; K34-Q37 PolarHBondContact O-OE1 2.99Å
35I98.1Very high97.2Very high0 Ų037.2 Ų37.20%019%0.191CC..G310 helixtrans-61.6-33.9179.1-70-67.2000111.1R17 M20 L21 Q37 L38 F101 N104 F105 V108R17-I35 HydrophobicContact CG-CG1 3.91Å; M20-I35 HydrophobicContact CB-CD1 4.13Å; M20-I35 HydrophobicContact CG-CD1 3.87Å; L21-I35 HydrophobicContact CD2-CD1 3.89Å; L21-I35 HydrophobicContact CD2-CG1 4.41Å; L21-I35 HydrophobicContact CG-CD1 3.84Å; L21-I35 HydrophobicContact CG-CG1 4.33Å; I35-Q37 PolarHBondContact O-N 3.12Å; I35-L38 HydrophobicContact CG2-CD1 4.4Å; I35-L38 VanDerWaalsContact O-CB 3.24Å; I35-L38 WeakPolarHBondContact O-CB 3.43Å; I35-L38 WeakPolarHBondContact O-CG 3.46Å; I35-L38 PolarHBondContact O-N 3.45Å; I35-F101 HydrophobicContact CB-CD2 4.04Å; I35-F101 HydrophobicContact CB-CE2 3.91Å; I35-F101 HydrophobicContact CG1-CE2 3.96Å; I35-F101 HydrophobicContact CG2-CD2 4.45Å; I35-F101 HydrophobicContact CG2-CE2 4.43Å; I35-N104 HydrophobicContact CG2-CB 3.92Å; I35-F105 HydrophobicContact CD1-CD2 4.03Å; I35-F105 HydrophobicContact CD1-CE2 4.28Å; I35-F105 HydrophobicContact CG1-CD2 3.9Å; I35-F105 HydrophobicContact CG1-CE2 4.37Å; I35-F105 HydrophobicContact CG2-CB 3.98Å; I35-F105 HydrophobicContact CG2-CD2 4.02Å; I35-F105 HydrophobicContact CG2-CG 4.48Å; I35-V108 HydrophobicContact CD1-CG1 4.44Å; I35-V108 HydrophobicContact CG2-CG1 4.41Å
36E97.6Very high97.3Very high58 Ų5835.8 Ų35.827%0.27118%0.183SC..G310 helixtrans-54.7-26.1177.1-61.892.4139.300112.5K34 L38 C39 G99 F101K34-E36 WeakPolarHBondContact CB-OE2 3.09Å; K34-E36 PolarHBondContact O-N 3.46Å; E36-L38 PolarHBondContact O-N 2.88Å; E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.49Å; E36-C39 PolarHBondContact O-SG 3Å; E36-G99 WeakPolarHBondContact CB-O 3.43Å; E36-G99 WeakPolarHBondContact CG-O 2.98Å; E36-F101 HydrophobicContact CG-CB 4.09Å
37Q97.4Very high97.3Very high17 Ų1728.7 Ų28.78%0.07915%0.15CC..G310 helixtrans-68.1-17.7178.6-64.1170.1-44.800112.8L32 K34 I35 C39 S40 A138L32-Q37 VanDerWaalsContact CA-OE1 3.28Å; L32-Q37 HydrophobicContact CD2-CB 3.92Å; K34-Q37 HydrophobicContact CB-CG 4.14Å; K34-Q37 WeakPolarHBondContact O-CB 3.09Å; K34-Q37 PolarHBondContact O-N 3.26Å; K34-Q37 VanDerWaalsContact O-N 3.12Å; K34-Q37 PolarHBondContact O-OE1 2.99Å; I35-Q37 PolarHBondContact O-N 3.12Å; Q37-C39 PolarHBondContact O-N 3.45Å; Q37-S40 PolarHBondContact O-N 3.4Å; Q37-S40 PolarHBondContact O-OG 2.84Å; Q37-A138 HydrophobicContact CG-CB 4.41Å
38L98.4Very high97.4Very high1 Ų127.1 Ų27.11%0.00514%0.139CC..G310 helixtrans-66.2-13170.6-63.8170.8000112.9I24 L32 I35 E36 S40 G41 A43 Y44 V108I24-L38 HydrophobicContact CD1-CD1 3.69Å; I24-L38 HydrophobicContact CD1-CD2 3.97Å; I24-L38 HydrophobicContact CD1-CG 4.34Å; L32-L38 HydrophobicContact CD1-CD2 3.75Å; L32-L38 HydrophobicContact CD1-CG 4.3Å; I35-L38 HydrophobicContact CG2-CD1 4.4Å; I35-L38 VanDerWaalsContact O-CB 3.24Å; I35-L38 WeakPolarHBondContact O-CB 3.43Å; I35-L38 WeakPolarHBondContact O-CG 3.46Å; I35-L38 PolarHBondContact O-N 3.45Å; E36-L38 PolarHBondContact O-N 2.88Å; L38-S40 PolarHBondContact O-N 2.82Å; L38-G41 PolarHBondContact O-N 3Å; L38-A43 HydrophobicContact CD2-CB 3.73Å; L38-Y44 HydrophobicContact CB-CE2 3.95Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.36Å; L38-V108 HydrophobicContact CD1-CB 3.85Å; L38-V108 HydrophobicContact CD1-CG1 4.3Å; L38-V108 HydrophobicContact CD1-CG2 3.6Å
39C98.3Very high97.4Very high7 Ų728.4 Ų28.45%0.04715%0.146CC..G310 helixtrans-56.3-20172.871.20000113.6E36 Q37 G41 Y71 F75 L96 N104E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.49Å; E36-C39 PolarHBondContact O-SG 3Å; Q37-C39 PolarHBondContact O-N 3.45Å; C39-G41 PolarHBondContact O-N 3.22Å; C39-Y71 WeakPolarHBondContact O-CB 3.45Å; C39-F75 VanDerWaalsContact O-CE2 3.23Å; C39-F75 WeakPolarHBondContact O-CE2 3.38Å; C39-L96 WeakPolarHBondContact CB-O 3.39Å; C39-N104 PolarHBondContact N-OD1 3.12Å
40S98.1Very high97.5Very high14 Ų1423 Ų2310%0.09812%0.12CC..G310 helixtrans-66.6-20.6176.467.30000113.5Q37 L38 A42 Y71 N74Q37-S40 PolarHBondContact O-N 3.4Å; Q37-S40 PolarHBondContact O-OG 2.84Å; L38-S40 PolarHBondContact O-N 2.82Å; S40-A42 PolarHBondContact O-N 2.81Å; S40-A42 VanDerWaalsContact O-N 3.11Å; S40-Y71 VanDerWaalsContact CA-CD1 3.49Å; S40-N74 VanDerWaalsContact O-CB 3.25Å; S40-N74 WeakPolarHBondContact O-CB 3.34Å; S40-N74 PolarHBondContact O-ND2 2.91Å
41G98.4Very high97.6Very high0 Ų022.1 Ų22.10%012%0.116CC..SBendtrans71.8-7.7-176.800000115L38 C39 C45L38-G41 PolarHBondContact O-N 3Å; C39-G41 PolarHBondContact O-N 3.22Å; G41-C45 PolarHBondContact O-N 3.31Å; G41-C45 PolarHBondContact O-SG 2.94Å
42A98.3Very high97.8Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-69.5-42.5-17400000112.4S40 Y44 C45 Q46 V61 F63S40-A42 PolarHBondContact O-N 2.81Å; S40-A42 VanDerWaalsContact O-N 3.11Å; A42-Y44 PolarHBondContact O-N 2.91Å; A42-C45 WeakPolarHBondContact O-CB 3.42Å; A42-C45 PolarHBondContact O-N 3.39Å; A42-Q46 PolarHBondContact O-N 3.49Å; A42-V61 HydrophobicContact CB-CG1 3.97Å; A42-F63 HydrophobicContact CB-CD1 4.01Å; A42-F63 HydrophobicContact CB-CE1 4.47Å
43A98.4Very high97.9Very high4 Ų421.5 Ų21.53%0.03312%0.116CC..Hα-helixtrans-59.7-44.8177.800000111.7L28 L30 L38 C45 Q46 F47L28-A43 HydrophobicContact CD1-CB 4.07Å; L30-A43 HydrophobicContact CD1-CB 4.33Å; L38-A43 HydrophobicContact CD2-CB 3.73Å; A43-C45 PolarHBondContact O-N 2.92Å; A43-Q46 PolarHBondContact O-N 3.46Å; A43-Q46 VanDerWaalsContact O-N 3.12Å; A43-F47 WeakPolarHBondContact O-CD2 3.44Å; A43-F47 PolarHBondContact O-N 2.87Å
44Y98.8Very high97.9Very high2 Ų220.1 Ų20.11%0.00812%0.119CC..Hα-helixtrans-63.6-39.1176.9-60-56.6000112.8L38 A42 Q46 F47 M48 F75 L78 F107 V108 F111L38-Y44 HydrophobicContact CB-CE2 3.95Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.36Å; A42-Y44 PolarHBondContact O-N 2.91Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 3.46Å; Y44-F47 PolarHBondContact O-N 2.98Å; Y44-M48 WeakPolarHBondContact O-CB 3.24Å; Y44-M48 PolarHBondContact O-N 3.12Å; Y44-F75 AromaticContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CZ 4.31Å; Y44-F75 HydrophobicContact CE2-CE1 4.35Å; Y44-F75 HydrophobicContact CE2-CZ 4.36Å; Y44-L78 HydrophobicContact CD2-CD2 4.35Å; Y44-L78 HydrophobicContact CG-CD2 4.17Å; Y44-F107 HydrophobicContact CD1-CE1 4.11Å; Y44-F107 HydrophobicContact CD2-CD1 4.5Å; Y44-F107 HydrophobicContact CD2-CE1 4.04Å; Y44-F107 AromaticContact CE1-CD1 4Å; Y44-F107 HydrophobicContact CE1-CD1 4Å; Y44-F107 AromaticContact CE1-CE1 3.91Å; Y44-F107 HydrophobicContact CE1-CE1 3.91Å; Y44-F107 AromaticContact CE2-CD1 3.84Å; Y44-F107 HydrophobicContact CE2-CD1 3.84Å; Y44-F107 AromaticContact CE2-CE1 3.84Å; Y44-F107 HydrophobicContact CE2-CE1 3.84Å; Y44-F107 HydrophobicContact CG-CE1 4.18Å; Y44-F107 AromaticContact CZ-CD1 3.56Å; Y44-F107 AromaticContact CZ-CE1 3.78Å; Y44-V108 HydrophobicContact CE1-CB 4.49Å; Y44-V108 HydrophobicContact CE1-CG2 4.24Å; Y44-V108 WeakPolarHBondContact OH-CB 3.26Å; Y44-F111 HydrophobicContact CD1-CB 4.42Å; Y44-F111 AromaticContact CD1-CD1 3.87Å; Y44-F111 HydrophobicContact CD1-CD1 3.87Å; Y44-F111 AromaticContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CE1 4.01Å; Y44-F111 AromaticContact CD1-CE2 3.78Å; Y44-F111 HydrophobicContact CD1-CE2 3.78Å; Y44-F111 AromaticContact CD1-CG 3.69Å; Y44-F111 HydrophobicContact CD1-CG 3.69Å; Y44-F111 AromaticContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CE1-CB 4.09Å; Y44-F111 HydrophobicContact CE1-CD1 4.15Å; Y44-F111 HydrophobicContact CE1-CD2 4.14Å; Y44-F111 AromaticContact CE1-CG 3.85Å; Y44-F111 HydrophobicContact CE1-CG 3.85Å; Y44-F111 HydrophobicContact CG-CD2 4.45Å; Y44-F111 HydrophobicContact CG-CE2 4.35Å
45C98.8Very high98Very high0 Ų015.4 Ų15.40%010%0.099CC..Hα-helixtrans-61-40.9173.5-67.90000111.2G41 A42 A43 M48 D49 I56 V61 N74G41-C45 PolarHBondContact O-N 3.31Å; G41-C45 PolarHBondContact O-SG 2.94Å; A42-C45 WeakPolarHBondContact O-CB 3.42Å; A42-C45 PolarHBondContact O-N 3.39Å; A43-C45 PolarHBondContact O-N 2.92Å; C45-M48 PolarHBondContact O-N 3.12Å; C45-D49 PolarHBondContact O-N 3.26Å; C45-D49 VanDerWaalsContact O-N 3.12Å; C45-I56 HydrophobicContact CB-CG2 4.05Å; C45-V61 HydrophobicContact CB-CG1 4.09Å; C45-V61 HydrophobicContact CB-CG2 3.68Å; C45-N74 PolarHBondContact SG-O 3.45Å; C45-N74 VanDerWaalsContact SG-O 3.33Å
46Q98.4Very high98Very high0 Ų015.9 Ų15.90%010%0.101CC..Hα-helixtrans-70.8-39.3-180-164.1172.51.600112.8L28 A42 A43 Y44 M48 D49 M50 F63 Y124 P126 R130L28-Q46 HydrophobicContact CD1-CB 4.22Å; L28-Q46 HydrophobicContact CD2-CB 4.31Å; L28-Q46 HydrophobicContact CD2-CG 3.89Å; A42-Q46 PolarHBondContact O-N 3.49Å; A43-Q46 PolarHBondContact O-N 3.46Å; A43-Q46 VanDerWaalsContact O-N 3.12Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 3.46Å; Q46-M48 VanDerWaalsContact C-N 3.32Å; Q46-M48 PolarHBondContact O-N 3.04Å; Q46-D49 PolarHBondContact O-N 3.3Å; Q46-M50 PolarHBondContact O-N 3.38Å; Q46-F63 HydrophobicContact CB-CE1 4.23Å; Q46-Y124 HydrophobicContact CG-CE1 4.18Å; Q46-Y124 VanDerWaalsContact CG-OH 3.27Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.49Å; Q46-P126 PolarHBondContact NE2-O 3.15Å; Q46-R130 VanDerWaalsContact CD-NH1 3.34Å
47F98.7Very high98Very high1 Ų115.4 Ų15.40%0.00411%0.107CC..Hα-helixtrans-62.4-38.8171.7-83.2-57.4000112.5W23 I24 L28 A43 Y44 D49 M50 L51 F111 F115W23-F47 HydrophobicContact CH2-CE1 4.27Å; W23-F47 AromaticContact CH2-CE2 3.97Å; W23-F47 HydrophobicContact CH2-CE2 3.97Å; W23-F47 AromaticContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CZ2-CD1 4.45Å; W23-F47 AromaticContact CZ2-CE1 3.74Å; W23-F47 HydrophobicContact CZ2-CE1 3.74Å; W23-F47 HydrophobicContact CZ2-CE2 4.25Å; W23-F47 AromaticContact CZ2-CZ 3.62Å; W23-F47 HydrophobicContact CZ2-CZ 3.62Å; W23-F47 HydrophobicContact CZ3-CE2 4.38Å; W23-F47 HydrophobicContact CZ3-CZ 4.32Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.29Å; I24-F47 HydrophobicContact CG2-CE2 4.26Å; L28-F47 HydrophobicContact CD1-CD1 4.26Å; L28-F47 HydrophobicContact CD1-CD2 3.69Å; L28-F47 HydrophobicContact CD1-CE1 4.13Å; L28-F47 HydrophobicContact CD1-CE2 3.52Å; L28-F47 HydrophobicContact CD1-CG 4.06Å; L28-F47 HydrophobicContact CD1-CZ 3.77Å; L28-F47 HydrophobicContact CD2-CD1 4.08Å; L28-F47 HydrophobicContact CD2-CE1 4.08Å; L28-F47 HydrophobicContact CD2-CZ 4.49Å; L28-F47 HydrophobicContact CG-CD1 4.22Å; L28-F47 HydrophobicContact CG-CD2 4.46Å; L28-F47 HydrophobicContact CG-CE1 3.84Å; L28-F47 HydrophobicContact CG-CE2 4.08Å; L28-F47 HydrophobicContact CG-CZ 3.77Å; A43-F47 WeakPolarHBondContact O-CD2 3.44Å; A43-F47 PolarHBondContact O-N 2.87Å; Y44-F47 PolarHBondContact O-N 2.98Å; F47-D49 VanDerWaalsContact C-N 3.3Å; F47-D49 PolarHBondContact O-N 3.49Å; F47-M50 HydrophobicContact CD1-CE 4.49Å; F47-M50 HydrophobicContact CD1-SD 4.08Å; F47-M50 HydrophobicContact CE1-SD 4.42Å; F47-M50 WeakPolarHBondContact O-CB 3.44Å; F47-M50 PolarHBondContact O-N 3.4Å; F47-L51 WeakPolarHBondContact O-CG 3.41Å; F47-L51 PolarHBondContact O-N 2.95Å; F47-F111 HydrophobicContact CB-CE1 3.5Å; F47-F111 VanDerWaalsContact CB-CE1 3.5Å; F47-F111 HydrophobicContact CB-CZ 3.62Å; F47-F111 AromaticContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CE1 3.79Å; F47-F111 AromaticContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CZ 4.41Å; F47-F115 HydrophobicContact CB-CD2 4.48Å; F47-F115 AromaticContact CD1-CD2 3.8Å; F47-F115 HydrophobicContact CD1-CD2 3.8Å; F47-F115 AromaticContact CD1-CE2 3.55Å; F47-F115 HydrophobicContact CD1-CE2 3.55Å; F47-F115 HydrophobicContact CD1-CZ 4.38Å; F47-F115 HydrophobicContact CE1-CD2 4.35Å; F47-F115 HydrophobicContact CE1-CE2 4.05Å; F47-F115 HydrophobicContact CG-CD2 4.39Å; F47-F115 HydrophobicContact CG-CE2 4.48Å
48M98.5Very high97.9Very high0 Ų015.6 Ų15.60%011%0.108CC..Hα-helixtrans-65.3-34.4175.7-82.9-66.6-64.600112.6Y44 C45 Q46 F52 S55 I56 L78 F82 M85 F111 F114Y44-M48 WeakPolarHBondContact O-CB 3.24Å; Y44-M48 PolarHBondContact O-N 3.12Å; C45-M48 PolarHBondContact O-N 3.12Å; Q46-M48 VanDerWaalsContact C-N 3.32Å; Q46-M48 PolarHBondContact O-N 3.04Å; M48-F52 HydrophobicContact CE-CD2 3.91Å; M48-F52 HydrophobicContact CE-CE2 4.41Å; M48-F52 CarbonylContact O-C 3.55Å; M48-F52 PolarHBondContact O-N 3.01Å; M48-F52 HydrophobicContact SD-CD2 4.16Å; M48-F52 HydrophobicContact SD-CE2 4.34Å; M48-S55 PolarHBondContact O-OG 2.89Å; M48-S55 VanDerWaalsContact O-OG 3.06Å; M48-I56 HydrophobicContact CB-CD1 3.9Å; M48-I56 HydrophobicContact CB-CG1 3.43Å; M48-I56 VanDerWaalsContact CB-CG1 3.43Å; M48-L78 HydrophobicContact CB-CD1 4.33Å; M48-L78 HydrophobicContact CG-CD1 3.56Å; M48-F82 HydrophobicContact CE-CD1 3.94Å; M48-F82 HydrophobicContact CE-CE1 4.3Å; M48-F82 HydrophobicContact CG-CD1 4.33Å; M48-F82 HydrophobicContact CG-CE1 3.95Å; M48-F82 HydrophobicContact SD-CD1 3.97Å; M48-F82 HydrophobicContact SD-CE1 3.7Å; M48-M85 HydrophobicContact CE-CB 4.4Å; M48-M85 HydrophobicContact CE-CG 3.95Å; M48-F111 HydrophobicContact CG-CZ 4.42Å; M48-F114 HydrophobicContact SD-CE1 3.85Å; M48-F114 HydrophobicContact SD-CZ 4.31Å
49D98.3Very high97.8Very high27 Ų2724.6 Ų24.614%0.14415%0.147CC..Hα-helixtrans-67.3-39.5171.5-169.366.9000112C45 Q46 F47 F52 P53 I56 L58 Y124C45-D49 PolarHBondContact O-N 3.26Å; C45-D49 VanDerWaalsContact O-N 3.12Å; Q46-D49 PolarHBondContact O-N 3.3Å; F47-D49 VanDerWaalsContact C-N 3.3Å; F47-D49 PolarHBondContact O-N 3.49Å; D49-F52 CarbonylContact O-C 3.55Å; D49-P53 VanDerWaalsContact O-CA 3.29Å; D49-P53 WeakPolarHBondContact O-CA 3.06Å; D49-P53 WeakPolarHBondContact O-CD 3.47Å; D49-P53 VanDerWaalsContact O-N 3.12Å; D49-I56 HydrophobicContact CB-CB 4.44Å; D49-L58 HydrophobicContact CB-CD1 4.08Å; D49-L58 HydrophobicContact CB-CD2 4.43Å; D49-Y124 PolarHBondContact OD2-OH 2.97Å
50M98Very high97.7Very high5 Ų531.9 Ų31.93%0.02518%0.178CC..Hα-helixtrans-62.9-47174178.4-167.8-76.100112.3S27 L28 Q46 F47 F115 Y119 Y124S27-M50 WeakPolarHBondContact O-CE 3.28Å; L28-M50 HydrophobicContact CD2-CE 3.6Å; Q46-M50 PolarHBondContact O-N 3.38Å; F47-M50 HydrophobicContact CD1-CE 4.49Å; F47-M50 HydrophobicContact CD1-SD 4.08Å; F47-M50 HydrophobicContact CE1-SD 4.42Å; F47-M50 WeakPolarHBondContact O-CB 3.44Å; F47-M50 PolarHBondContact O-N 3.4Å; M50-F115 HydrophobicContact CG-CE2 4.44Å; M50-F115 HydrophobicContact SD-CE2 3.57Å; M50-F115 VanDerWaalsContact SD-CE2 3.57Å; M50-F115 HydrophobicContact SD-CZ 3.57Å; M50-F115 VanDerWaalsContact SD-CZ 3.57Å; M50-Y119 HydrophobicContact CG-CE2 4.1Å; M50-Y119 HydrophobicContact SD-CE2 4.14Å; M50-Y124 HydrophobicContact CB-CD1 4.02Å; M50-Y124 HydrophobicContact CB-CD2 3.98Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 4.09Å; M50-Y124 HydrophobicContact CB-CG 3.94Å; M50-Y124 HydrophobicContact CE-CD1 3.21Å; M50-Y124 HydrophobicContact CE-CE1 3.77Å; M50-Y124 HydrophobicContact CE-CG 3.88Å; M50-Y124 HydrophobicContact CG-CD1 3.98Å; M50-Y124 HydrophobicContact CG-CD2 4.17Å; M50-Y124 HydrophobicContact CG-CE1 4.49Å; M50-Y124 HydrophobicContact CG-CG 3.74Å; M50-Y124 HydrophobicContact SD-CD1 4.42Å
51L97.9Very high97.7Very high3 Ų331.7 Ų31.72%0.01618%0.176CC..Hα-helixtrans-65.8-49.6177.9-72174.4000110.9F47 F114 F115 N118 Y119 K122F47-L51 WeakPolarHBondContact O-CG 3.41Å; F47-L51 PolarHBondContact O-N 2.95Å; L51-F114 HydrophobicContact CD1-CD1 4.13Å; L51-F114 HydrophobicContact CD1-CE1 3.7Å; L51-F115 HydrophobicContact CD1-CB 4.48Å; L51-F115 HydrophobicContact CD1-CD2 3.77Å; L51-F115 HydrophobicContact CD1-CE2 4.44Å; L51-F115 HydrophobicContact CD1-CG 4.47Å; L51-F115 HydrophobicContact CD2-CD2 3.55Å; L51-F115 HydrophobicContact CD2-CE2 3.62Å; L51-F115 HydrophobicContact CD2-CG 4.1Å; L51-F115 HydrophobicContact CD2-CZ 4.27Å; L51-F115 HydrophobicContact CG-CD2 3.63Å; L51-F115 HydrophobicContact CG-CE2 3.8Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 4.04Å; L51-Y119 HydrophobicContact CD2-CD2 4.12Å; L51-Y119 HydrophobicContact CD2-CG 4.48Å; L51-K122 PolarHBondContact O-NZ 3.47Å
52F97.5Very high97.7Very high33 Ų3334.8 Ų34.815%0.14519%0.19CC..SBendtrans-13486.5-171.9-48.8-67.4000110.6A2 M48 D49 G54 S55 M85 F114 N118A2-F52 HydrophobicContact CB-CE1 4.4Å; A2-F52 HydrophobicContact CB-CE2 3.83Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; M48-F52 HydrophobicContact CE-CD2 3.91Å; M48-F52 HydrophobicContact CE-CE2 4.41Å; M48-F52 CarbonylContact O-C 3.55Å; M48-F52 PolarHBondContact O-N 3.01Å; M48-F52 HydrophobicContact SD-CD2 4.16Å; M48-F52 HydrophobicContact SD-CE2 4.34Å; D49-F52 CarbonylContact O-C 3.55Å; F52-G54 PolarHBondContact O-N 3.23Å; F52-S55 WeakPolarHBondContact O-CB 3.48Å; F52-S55 PolarHBondContact O-N 2.98Å; F52-S55 PolarHBondContact O-OG 3.48Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.22Å; F52-M85 HydrophobicContact CB-SD 3.95Å; F52-M85 HydrophobicContact CD1-CE 3.48Å; F52-M85 VanDerWaalsContact CD1-CE 3.48Å; F52-M85 HydrophobicContact CD2-CE 4.11Å; F52-M85 HydrophobicContact CD2-CG 3.89Å; F52-M85 HydrophobicContact CE1-CE 3.93Å; F52-M85 HydrophobicContact CE2-CG 4.48Å; F52-M85 HydrophobicContact CG-CE 3.56Å; F52-M85 HydrophobicContact CG-CG 4.09Å; F52-M85 HydrophobicContact CG-SD 4.11Å; F52-M85 HydrophobicContact CZ-CE 4.41Å; F52-F114 HydrophobicContact CE2-CE1 4.36Å; F52-F114 AromaticContact CE2-CZ 3.95Å; F52-F114 HydrophobicContact CE2-CZ 3.95Å; F52-N118 HydrophobicContact CE1-CB 4.44Å; F52-N118 HydrophobicContact CE2-CB 4.49Å; F52-N118 HydrophobicContact CZ-CB 3.75Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.35Å
53P96.8Very high97.6Very high95 Ų9535.2 Ų35.262%0.61719%0.192SC*.THydrogen-bonded Turntrans-53.5131.5-179.9-29.336.1000112.4D49 S55D49-P53 VanDerWaalsContact O-CA 3.29Å; D49-P53 WeakPolarHBondContact O-CA 3.06Å; D49-P53 WeakPolarHBondContact O-CD 3.47Å; D49-P53 VanDerWaalsContact O-N 3.12Å; P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.34Å
54G95.2Very high97.4Very high54 Ų5439 Ų3956%0.55721%0.209SC*.THydrogen-bonded Turntrans80.8-1.1-176.800000115.1F52 I56 R84F52-G54 PolarHBondContact O-N 3.23Å; G54-I56 VanDerWaalsContact C-N 3.27Å; G54-I56 PolarHBondContact O-N 2.84Å; G54-R84 PolarHBondContact O-NH1 3.16Å
55S97.4Very high97.1Very high3 Ų339 Ų392%0.02121%0.209CC..SBendtrans-70.9-25.317271.70000112.7M48 F52 P53 G81 R84M48-S55 PolarHBondContact O-OG 2.89Å; M48-S55 VanDerWaalsContact O-OG 3.06Å; F52-S55 WeakPolarHBondContact O-CB 3.48Å; F52-S55 PolarHBondContact O-N 2.98Å; F52-S55 PolarHBondContact O-OG 3.48Å; P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 3.34Å; S55-G81 WeakPolarHBondContact O-CA 3.49Å; S55-R84 PolarHBondContact O-NH1 3.29Å
56I98.3Very high96.9Very high9 Ų944.3 Ų44.35%0.04623%0.232CC..SBendtrans-117140.2-175.5-69.1-67.6000110.8C45 M48 D49 G54 L58 V61 I77 L78C45-I56 HydrophobicContact CB-CG2 4.05Å; M48-I56 HydrophobicContact CB-CD1 3.9Å; M48-I56 HydrophobicContact CB-CG1 3.43Å; M48-I56 VanDerWaalsContact CB-CG1 3.43Å; D49-I56 HydrophobicContact CB-CB 4.44Å; G54-I56 VanDerWaalsContact C-N 3.27Å; G54-I56 PolarHBondContact O-N 2.84Å; I56-L58 HydrophobicContact CG2-CB 4.37Å; I56-L58 HydrophobicContact CG2-CD1 3.97Å; I56-L58 PolarHBondContact O-N 2.95Å; I56-V61 HydrophobicContact CG2-CG2 4.14Å; I56-I77 HydrophobicContact CD1-CG2 4.2Å; I56-I77 HydrophobicContact CG2-CG2 3.83Å; I56-L78 HydrophobicContact CD1-CD1 4.5Å
57A97.2Very high96.6Very high48 Ų4849.1 Ų49.140%0.39726%0.257SS..  trans-80.468.8170.900000110.1K59 K60 I77A57-K59 PolarHBondContact O-N 3.39Å; A57-K59 VanDerWaalsContact O-N 3.12Å; A57-K60 HydrophobicContact CB-CB 4.44Å; A57-K60 HydrophobicContact CB-CD 4.22Å; A57-K60 HydrophobicContact CB-CG 4.39Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 2.87Å; A57-I77 HydrophobicContact CB-CG2 4.47Å
58L96.3Very high96.5Very high22 Ų2252.7 Ų52.712%0.11527%0.274CS..G310 helixtrans-56.9-35.1-167.4-157.170.3000113.3D49 I56 K60 V61 F63 A129D49-L58 HydrophobicContact CB-CD1 4.08Å; D49-L58 HydrophobicContact CB-CD2 4.43Å; I56-L58 HydrophobicContact CG2-CB 4.37Å; I56-L58 HydrophobicContact CG2-CD1 3.97Å; I56-L58 PolarHBondContact O-N 2.95Å; L58-K60 PolarHBondContact O-N 3.04Å; L58-K60 VanDerWaalsContact O-N 3.11Å; L58-V61 HydrophobicContact CD1-CG2 4.28Å; L58-V61 VanDerWaalsContact O-CB 3.32Å; L58-V61 WeakPolarHBondContact O-CB 3.31Å; L58-V61 PolarHBondContact O-N 3.05Å; L58-F63 HydrophobicContact CD1-CZ 3.84Å; L58-F63 HydrophobicContact CG-CE2 4.4Å; L58-F63 HydrophobicContact CG-CZ 4.01Å; L58-A129 HydrophobicContact CD2-CB 3.92Å; L58-A129 WeakPolarHBondContact CD2-O 3.36Å
59K95.7Very high96.4Very high189 Ų18957.7 Ų57.782%0.82230%0.297SS*.G310 helixtrans-60.1-20.1174.9-64.5-176.2179.4-179.50114.7A57A57-K59 PolarHBondContact O-N 3.39Å; A57-K59 VanDerWaalsContact O-N 3.12Å
60K97.3Very high96.4Very high161 Ų16158.1 Ų58.170%0.730%0.299SS*.G310 helixtrans-95-9177.5-64.3-174.5176.9-178.40112.7A57 L58 I77A57-K60 HydrophobicContact CB-CB 4.44Å; A57-K60 HydrophobicContact CB-CD 4.22Å; A57-K60 HydrophobicContact CB-CG 4.39Å; A57-K60 WeakPolarHBondContact O-CB 3.39Å; A57-K60 PolarHBondContact O-N 2.87Å; L58-K60 PolarHBondContact O-N 3.04Å; L58-K60 VanDerWaalsContact O-N 3.11Å; K60-I77 HydrophobicContact CB-CD1 3.72Å; K60-I77 WeakPolarHBondContact O-CD1 3.48Å
61V98.1Very high96.4Very high9 Ų958.6 Ų58.66%0.05530%0.3CS..  trans-72.7132.4179178.70000108.8A42 C45 I56 L58 F63 I77A42-V61 HydrophobicContact CB-CG1 3.97Å; C45-V61 HydrophobicContact CB-CG1 4.09Å; C45-V61 HydrophobicContact CB-CG2 3.68Å; I56-V61 HydrophobicContact CG2-CG2 4.14Å; L58-V61 HydrophobicContact CD1-CG2 4.28Å; L58-V61 VanDerWaalsContact O-CB 3.32Å; L58-V61 WeakPolarHBondContact O-CB 3.31Å; L58-V61 PolarHBondContact O-N 3.05Å; V61-F63 HydrophobicContact CB-CE2 4Å; V61-F63 HydrophobicContact CB-CZ 4.11Å; V61-F63 HydrophobicContact CG1-CD1 4.31Å; V61-F63 HydrophobicContact CG1-CD2 4.35Å; V61-F63 HydrophobicContact CG1-CE1 4.03Å; V61-F63 HydrophobicContact CG1-CE2 4.07Å; V61-F63 HydrophobicContact CG1-CG 4.46Å; V61-F63 HydrophobicContact CG1-CZ 3.9Å; V61-F63 PolarHBondContact O-N 3.11Å; V61-I77 HydrophobicContact CG2-CD1 4.06Å; V61-I77 HydrophobicContact CG2-CG2 4.12Å
62K97.4Very high96.4Very high66 Ų6661 Ų6129%0.28731%0.313SS..  trans-92.690.5176.3-66.8179.5167.4-174.10109.4Q64 A65 E70 N74K62-Q64 PolarHBondContact O-N 3.49Å; K62-A65 HydrophobicContact CB-CB 3.97Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 3.26Å; K62-E70 HydrophobicContact CD-CB 3.79Å; K62-E70 HydrophobicContact CD-CG 4.09Å; K62-E70 IonicContact NZ-OE1 3.22Å; K62-E70 PolarHBondContact NZ-OE1 3.34Å; K62-N74 PolarHBondContact N-OD1 3.14Å; K62-N74 PolarHBondContact O-ND2 3.25Å
63F96.3Very high96.5Very high9 Ų963.6 Ų63.64%0.03933%0.325CS..THydrogen-bonded Turntrans-65.9-28.2178.1-68.3-76.8000113A42 Q46 L58 V61 R130 T135 A136A42-F63 HydrophobicContact CB-CD1 4.01Å; A42-F63 HydrophobicContact CB-CE1 4.47Å; Q46-F63 HydrophobicContact CB-CE1 4.23Å; L58-F63 HydrophobicContact CD1-CZ 3.84Å; L58-F63 HydrophobicContact CG-CE2 4.4Å; L58-F63 HydrophobicContact CG-CZ 4.01Å; V61-F63 HydrophobicContact CB-CE2 4Å; V61-F63 HydrophobicContact CB-CZ 4.11Å; V61-F63 HydrophobicContact CG1-CD1 4.31Å; V61-F63 HydrophobicContact CG1-CD2 4.35Å; V61-F63 HydrophobicContact CG1-CE1 4.03Å; V61-F63 HydrophobicContact CG1-CE2 4.07Å; V61-F63 HydrophobicContact CG1-CG 4.46Å; V61-F63 HydrophobicContact CG1-CZ 3.9Å; V61-F63 PolarHBondContact O-N 3.11Å; F63-R130 VanDerWaalsContact CD1-CD 3.49Å; F63-R130 HydrophobicContact CD1-CG 3.85Å; F63-R130 HydrophobicContact CD2-CG 4.22Å; F63-R130 HydrophobicContact CE1-CG 3.63Å; F63-R130 HydrophobicContact CE2-CG 4.02Å; F63-R130 HydrophobicContact CG-CG 4.15Å; F63-R130 HydrophobicContact CZ-CG 3.72Å; F63-T135 HydrophobicContact CB-CG2 4.43Å; F63-T135 HydrophobicContact CD1-CG2 4.14Å; F63-T135 CarbonylContact O-C 3.57Å; F63-T135 VanDerWaalsContact O-CA 3.28Å; F63-T135 WeakPolarHBondContact O-CA 3.4Å; F63-A136 PolarHBondContact O-N 3.27Å
64Q93.9Very high96.6Very high84 Ų8459 Ų5939%0.39330%0.296SS..THydrogen-bonded Turntrans-9922.7178.4-69.8-70.4-3000113.5K62 E134 T135 A136K62-Q64 PolarHBondContact O-N 3.49Å; Q64-E134 PolarHBondContact NE2-O 3.02Å; Q64-T135 PolarHBondContact NE2-O 2.85Å; Q64-A136 HydrophobicContact CB-CB 4.35Å
65A94.1Very high96.8Very high2 Ų256.5 Ų56.52%0.01727%0.269CS..  trans-58.2138.1179.100000111.4K62 E70 Y71 A136K62-A65 HydrophobicContact CB-CB 3.97Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 3.26Å; A65-E70 HydrophobicContact CB-CB 3.7Å; A65-Y71 HydrophobicContact CB-CD1 3.66Å; A65-Y71 HydrophobicContact CB-CE1 3.68Å; A65-Y71 WeakPolarHBondContact O-CE1 3.25Å; A65-A136 WeakPolarHBondContact O-CB 3.24Å
66K93Very high96.8Very high111 Ų11162.8 Ų62.848%0.48330%0.296SS..  trans-130.9-12.5177.6-67.1179.8-177178.90113.4E70 Y71 A136K66-E70 PolarHBondContact N-OE2 3.34Å; K66-Y71 VanDerWaalsContact C-OH 3.31Å; K66-Y71 WeakPolarHBondContact CA-OH 3.48Å; K66-Y71 PolarHBondContact O-OH 3.32Å; K66-A136 HydrophobicContact CG-CB 4.1Å
67L93.8Very high96.8Very high100 Ų10063.6 Ų63.652%0.52430%0.3SS..SBendtrans-114145.2-177.1-57.7174.2000110.4H69 E70 Y71L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 PolarHBondContact O-N 3.49Å; L67-H69 VanDerWaalsContact O-N 3.16Å; L67-E70 HydrophobicContact CB-CG 4.12Å; L67-E70 PolarHBondContact N-OE2 3.33Å; L67-E70 VanDerWaalsContact N-OE2 3.12Å; L67-E70 WeakPolarHBondContact O-CA 3.45Å; L67-E70 VanDerWaalsContact O-CB 3.24Å; L67-E70 WeakPolarHBondContact O-CB 3.49Å; L67-E70 PolarHBondContact O-N 3.04Å; L67-Y71 WeakPolarHBondContact O-CD1 3.36Å; L67-Y71 PolarHBondContact O-N 2.96Å
68E96.1Very high96.9Very high77 Ų7761.3 Ų61.336%0.3628%0.281SS..Hα-helixtrans-55-39.7-175.5-168.1-176.6118.100113.1E70 Y71 I72 V97 K98E68-E70 PolarHBondContact O-N 3.2Å; E68-Y71 WeakPolarHBondContact O-CB 3.48Å; E68-Y71 PolarHBondContact O-N 3.33Å; E68-Y71 VanDerWaalsContact O-N 3.09Å; E68-I72 HydrophobicContact CG-CD1 4.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.45Å; E68-I72 PolarHBondContact O-N 3.12Å; E68-V97 HydrophobicContact CG-CB 3.94Å; E68-V97 HydrophobicContact CG-CG2 3.76Å; E68-K98 IonicContact OE1-NZ 2.65Å; E68-K98 PolarHBondContact OE1-NZ 2.96Å; E68-K98 WeakPolarHBondContact OE2-CD 3.43Å; E68-K98 IonicContact OE2-NZ 2.7Å; E68-K98 PolarHBondContact OE2-NZ 3.41Å
69H96.6Very high97Very high104 Ų10464.3 Ų64.348%0.48130%0.295SS..Hα-helixtrans-64.7-24178.673.5-95.6000113.2L67 Q73L67-H69 VanDerWaalsContact C-N 3.26Å; L67-H69 PolarHBondContact O-N 3.49Å; L67-H69 VanDerWaalsContact O-N 3.16Å; H69-Q73 WeakPolarHBondContact O-CG 3.35Å; H69-Q73 PolarHBondContact O-N 2.83Å
70E97.6Very high97.1Very high37 Ų3757.8 Ų57.817%0.17328%0.276CS..Hα-helixtrans-78.1-38174.1-53.2-172.4106.300111K62 A65 K66 L67 E68 I72 Q73 N74K62-E70 HydrophobicContact CD-CB 3.79Å; K62-E70 HydrophobicContact CD-CG 4.09Å; K62-E70 IonicContact NZ-OE1 3.22Å; K62-E70 PolarHBondContact NZ-OE1 3.34Å; A65-E70 HydrophobicContact CB-CB 3.7Å; K66-E70 PolarHBondContact N-OE2 3.34Å; L67-E70 HydrophobicContact CB-CG 4.12Å; L67-E70 PolarHBondContact N-OE2 3.33Å; L67-E70 VanDerWaalsContact N-OE2 3.12Å; L67-E70 WeakPolarHBondContact O-CA 3.45Å; L67-E70 VanDerWaalsContact O-CB 3.24Å; L67-E70 WeakPolarHBondContact O-CB 3.49Å; L67-E70 PolarHBondContact O-N 3.04Å; E68-E70 PolarHBondContact O-N 3.2Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.33Å; E70-Q73 WeakPolarHBondContact O-CB 3.35Å; E70-Q73 PolarHBondContact O-N 2.98Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; E70-N74 PolarHBondContact O-N 3.23Å; E70-N74 VanDerWaalsContact O-N 3.08Å
71Y98.5Very high97.2Very high14 Ų1450.2 Ų50.26%0.05524%0.243CC..Hα-helixtrans-60.4-44.3173.2-53.4-17.7000110.7C39 S40 A65 K66 L67 E68 Q73 N74 F75C39-Y71 WeakPolarHBondContact O-CB 3.45Å; S40-Y71 VanDerWaalsContact CA-CD1 3.49Å; A65-Y71 HydrophobicContact CB-CD1 3.66Å; A65-Y71 HydrophobicContact CB-CE1 3.68Å; A65-Y71 WeakPolarHBondContact O-CE1 3.25Å; K66-Y71 VanDerWaalsContact C-OH 3.31Å; K66-Y71 WeakPolarHBondContact CA-OH 3.48Å; K66-Y71 PolarHBondContact O-OH 3.32Å; L67-Y71 WeakPolarHBondContact O-CD1 3.36Å; L67-Y71 PolarHBondContact O-N 2.96Å; E68-Y71 WeakPolarHBondContact O-CB 3.48Å; E68-Y71 PolarHBondContact O-N 3.33Å; E68-Y71 VanDerWaalsContact O-N 3.09Å; Y71-Q73 VanDerWaalsContact C-N 3.26Å; Y71-Q73 PolarHBondContact O-N 3.44Å; Y71-N74 WeakPolarHBondContact O-CB 3.46Å; Y71-N74 PolarHBondContact O-N 3.2Å; Y71-N74 VanDerWaalsContact O-N 3.14Å; Y71-F75 WeakPolarHBondContact O-CD2 3.42Å; Y71-F75 PolarHBondContact O-N 3.08Å
72I98.3Very high97.2Very high55 Ų5550 Ų5028%0.28224%0.242SC..Hα-helixtrans-58.2-39.3174.6-66.2169.7000111.1E68 E70 F75 K76 V93 V97E68-I72 HydrophobicContact CG-CD1 4.47Å; E68-I72 WeakPolarHBondContact O-CG1 3.45Å; E68-I72 PolarHBondContact O-N 3.12Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.33Å; I72-F75 PolarHBondContact O-N 3.4Å; I72-K76 WeakPolarHBondContact O-CG 3.36Å; I72-K76 PolarHBondContact O-N 3.47Å; I72-V93 HydrophobicContact CG1-CG1 4.49Å; I72-V97 HydrophobicContact CG1-CB 4.45Å; I72-V97 HydrophobicContact CG1-CG1 3.94Å; I72-V97 HydrophobicContact CG1-CG2 4.28Å
73Q98.6Very high97.2Very high86 Ų8655.5 Ų55.540%0.40227%0.266SS..Hα-helixtrans-64.5-43.1176.7-72.3170.5-3.100111.8H69 E70 Y71 K76 I77H69-Q73 WeakPolarHBondContact O-CG 3.35Å; H69-Q73 PolarHBondContact O-N 2.83Å; E70-Q73 WeakPolarHBondContact O-CB 3.35Å; E70-Q73 PolarHBondContact O-N 2.98Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; Y71-Q73 VanDerWaalsContact C-N 3.26Å; Y71-Q73 PolarHBondContact O-N 3.44Å; Q73-K76 PolarHBondContact O-N 2.98Å; Q73-I77 WeakPolarHBondContact O-CG1 3.18Å; Q73-I77 PolarHBondContact O-N 3.09Å
74N98.7Very high97.3Very high0 Ų062.3 Ų62.30%029%0.291CS..Hα-helixtrans-61.5-45.8174.1-71.3-17.1000111.4S40 C45 K62 E70 Y71 K76 I77 L78S40-N74 VanDerWaalsContact O-CB 3.25Å; S40-N74 WeakPolarHBondContact O-CB 3.34Å; S40-N74 PolarHBondContact O-ND2 2.91Å; C45-N74 PolarHBondContact SG-O 3.45Å; C45-N74 VanDerWaalsContact SG-O 3.33Å; K62-N74 PolarHBondContact N-OD1 3.14Å; K62-N74 PolarHBondContact O-ND2 3.25Å; E70-N74 PolarHBondContact O-N 3.23Å; E70-N74 VanDerWaalsContact O-N 3.08Å; Y71-N74 WeakPolarHBondContact O-CB 3.46Å; Y71-N74 PolarHBondContact O-N 3.2Å; Y71-N74 VanDerWaalsContact O-N 3.14Å; N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 3.25Å; N74-I77 WeakPolarHBondContact O-CA 3.5Å; N74-I77 WeakPolarHBondContact O-CB 3.49Å; N74-I77 PolarHBondContact O-N 3.21Å; N74-L78 PolarHBondContact O-N 3.16Å
75F98.8Very high97.5Very high0 Ų059.7 Ų59.70%028%0.279CS..Hα-helixtrans-64.1-32.1177.4-82.7-65.1000113.7C39 Y44 Y71 I72 I77 L78 Q79 I91 V93 L96 V97C39-F75 VanDerWaalsContact O-CE2 3.23Å; C39-F75 WeakPolarHBondContact O-CE2 3.38Å; Y44-F75 AromaticContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CE1 4Å; Y44-F75 HydrophobicContact CD2-CZ 4.31Å; Y44-F75 HydrophobicContact CE2-CE1 4.35Å; Y44-F75 HydrophobicContact CE2-CZ 4.36Å; Y71-F75 WeakPolarHBondContact O-CD2 3.42Å; Y71-F75 PolarHBondContact O-N 3.08Å; I72-F75 PolarHBondContact O-N 3.4Å; F75-I77 VanDerWaalsContact C-N 3.31Å; F75-I77 PolarHBondContact O-N 2.88Å; F75-L78 HydrophobicContact CD1-CD2 3.9Å; F75-L78 HydrophobicContact CE1-CD2 4.1Å; F75-L78 WeakPolarHBondContact O-CB 3.28Å; F75-L78 PolarHBondContact O-N 3.22Å; F75-Q79 WeakPolarHBondContact O-CB 3.35Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.11Å; F75-I91 HydrophobicContact CD1-CG2 3.84Å; F75-I91 HydrophobicContact CE1-CG2 4.03Å; F75-V93 HydrophobicContact CB-CB 4.42Å; F75-V93 HydrophobicContact CB-CG1 3.73Å; F75-V93 HydrophobicContact CB-CG2 3.83Å; F75-V93 HydrophobicContact CD1-CG2 4.46Å; F75-V93 HydrophobicContact CD2-CG1 4.08Å; F75-V93 HydrophobicContact CG-CG1 4.06Å; F75-V93 HydrophobicContact CG-CG2 4.2Å; F75-L96 HydrophobicContact CE1-CB 4.44Å; F75-L96 HydrophobicContact CE1-CD1 3.65Å; F75-L96 HydrophobicContact CE2-CB 3.95Å; F75-L96 HydrophobicContact CZ-CB 3.68Å; F75-L96 HydrophobicContact CZ-CD1 3.68Å; F75-L96 HydrophobicContact CZ-CG 4.33Å; F75-V97 HydrophobicContact CD2-CG1 3.47Å; F75-V97 VanDerWaalsContact CD2-CG1 3.47Å; F75-V97 HydrophobicContact CE2-CG1 3.65Å
76K98.6Very high97.7Very high136 Ų13660.8 Ų60.859%0.59129%0.291SS*.Hα-helixtrans-64-37.1171.3-76.8-177.3178.3-175.70112.2I72 Q73 N74 A80I72-K76 WeakPolarHBondContact O-CG 3.36Å; I72-K76 PolarHBondContact O-N 3.47Å; Q73-K76 PolarHBondContact O-N 2.98Å; N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 3.25Å; K76-A80 PolarHBondContact O-N 3.01Å; K76-A80 VanDerWaalsContact O-N 3.11Å
77I98.8Very high97.9Very high26 Ų2656.1 Ų56.113%0.13327%0.272CS..Hα-helixtrans-65.2-43.9173.7-64.2166.6000109.7I56 A57 K60 V61 Q73 N74 F75 A80 G81I56-I77 HydrophobicContact CD1-CG2 4.2Å; I56-I77 HydrophobicContact CG2-CG2 3.83Å; A57-I77 HydrophobicContact CB-CG2 4.47Å; K60-I77 HydrophobicContact CB-CD1 3.72Å; K60-I77 WeakPolarHBondContact O-CD1 3.48Å; V61-I77 HydrophobicContact CG2-CD1 4.06Å; V61-I77 HydrophobicContact CG2-CG2 4.12Å; Q73-I77 WeakPolarHBondContact O-CG1 3.18Å; Q73-I77 PolarHBondContact O-N 3.09Å; N74-I77 WeakPolarHBondContact O-CA 3.5Å; N74-I77 WeakPolarHBondContact O-CB 3.49Å; N74-I77 PolarHBondContact O-N 3.21Å; F75-I77 VanDerWaalsContact C-N 3.31Å; F75-I77 PolarHBondContact O-N 2.88Å; I77-A80 PolarHBondContact O-N 3.29Å; I77-G81 PolarHBondContact O-N 3.03Å
78L98.8Very high98Very high0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-60-47.9176.3-174.763.7000112.4Y44 M48 I56 N74 F75 A80 G81 F82 I91Y44-L78 HydrophobicContact CD2-CD2 4.35Å; Y44-L78 HydrophobicContact CG-CD2 4.17Å; M48-L78 HydrophobicContact CB-CD1 4.33Å; M48-L78 HydrophobicContact CG-CD1 3.56Å; I56-L78 HydrophobicContact CD1-CD1 4.5Å; N74-L78 PolarHBondContact O-N 3.16Å; F75-L78 HydrophobicContact CD1-CD2 3.9Å; F75-L78 HydrophobicContact CE1-CD2 4.1Å; F75-L78 WeakPolarHBondContact O-CB 3.28Å; F75-L78 PolarHBondContact O-N 3.22Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.28Å; L78-G81 CarbonylContact O-C 3.6Å; L78-G81 WeakPolarHBondContact O-CA 3.43Å; L78-G81 PolarHBondContact O-N 3.36Å; L78-F82 HydrophobicContact CD1-CD1 4.12Å; L78-F82 HydrophobicContact CD1-CE1 3.77Å; L78-F82 HydrophobicContact CG-CD1 4.29Å; L78-F82 HydrophobicContact CG-CE1 4.09Å; L78-F82 PolarHBondContact O-N 2.9Å; L78-I91 HydrophobicContact CB-CD1 4.43Å; L78-I91 HydrophobicContact CD2-CD1 3.78Å; L78-I91 HydrophobicContact CG-CD1 3.8Å
79Q98.6Very high98Very high85 Ų8554.6 Ų54.640%0.39726%0.264SS..Hα-helixtrans-57.5-40.2176.3-76.8176.9-36.600112.1F75 G81 F82 K83 I91F75-Q79 WeakPolarHBondContact O-CB 3.35Å; F75-Q79 WeakPolarHBondContact O-CG 3.29Å; F75-Q79 PolarHBondContact O-N 3.11Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; Q79-F82 PolarHBondContact O-N 3.21Å; Q79-K83 WeakPolarHBondContact O-CB 3.27Å; Q79-K83 PolarHBondContact O-N 3.31Å; Q79-I91 HydrophobicContact CG-CD1 3.78Å
80A98.4Very high98.1Very high52 Ų5256.7 Ų56.743%0.4328%0.277SS..Hα-helixtrans-65-38.4175.200000112.1K76 I77 L78 R84K76-A80 PolarHBondContact O-N 3.01Å; K76-A80 VanDerWaalsContact O-N 3.11Å; I77-A80 PolarHBondContact O-N 3.29Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.28Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3.33Å
81G98.4Very high98.1Very high1 Ų155.4 Ų55.41%0.0127%0.271CS..Hα-helixtrans-63.3-46172.600000112.5S55 I77 L78 Q79 K83 R84 M85S55-G81 WeakPolarHBondContact O-CA 3.49Å; I77-G81 PolarHBondContact O-N 3.03Å; L78-G81 CarbonylContact O-C 3.6Å; L78-G81 WeakPolarHBondContact O-CA 3.43Å; L78-G81 PolarHBondContact O-N 3.36Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; G81-K83 PolarHBondContact O-N 2.68Å; G81-R84 PolarHBondContact O-N 3.22Å; G81-M85 WeakPolarHBondContact O-CG 3.49Å; G81-M85 PolarHBondContact O-N 2.88Å
82F98.4Very high98Very high6 Ų656.6 Ų56.63%0.02628%0.281CS..Hα-helixtrans-57.5-50.6175.6-86.830.3000111.1M48 L78 Q79 R84 M85 G86 V87 K89 I91 W110 F111M48-F82 HydrophobicContact CE-CD1 3.94Å; M48-F82 HydrophobicContact CE-CE1 4.3Å; M48-F82 HydrophobicContact CG-CD1 4.33Å; M48-F82 HydrophobicContact CG-CE1 3.95Å; M48-F82 HydrophobicContact SD-CD1 3.97Å; M48-F82 HydrophobicContact SD-CE1 3.7Å; L78-F82 HydrophobicContact CD1-CD1 4.12Å; L78-F82 HydrophobicContact CD1-CE1 3.77Å; L78-F82 HydrophobicContact CG-CD1 4.29Å; L78-F82 HydrophobicContact CG-CE1 4.09Å; L78-F82 PolarHBondContact O-N 2.9Å; Q79-F82 PolarHBondContact O-N 3.21Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.85Å; F82-M85 CarbonylContact O-C 3.58Å; F82-M85 PolarHBondContact O-N 3.46Å; F82-M85 VanDerWaalsContact O-N 3.16Å; F82-G86 PolarHBondContact O-N 3.39Å; F82-V87 HydrophobicContact CB-CB 3.86Å; F82-V87 HydrophobicContact CB-CG1 4.45Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.32Å; F82-V87 HydrophobicContact CD1-CG1 4.42Å; F82-V87 HydrophobicContact CD1-CG2 4.38Å; F82-V87 HydrophobicContact CD2-CB 3.86Å; F82-V87 HydrophobicContact CD2-CG1 3.48Å; F82-V87 VanDerWaalsContact CD2-CG1 3.48Å; F82-V87 HydrophobicContact CE2-CB 4.48Å; F82-V87 HydrophobicContact CE2-CG1 3.69Å; F82-V87 HydrophobicContact CG-CB 3.76Å; F82-V87 HydrophobicContact CG-CG1 3.88Å; F82-V87 HydrophobicContact CG-CG2 4.3Å; F82-V87 HydrophobicContact CZ-CG1 4.24Å; F82-V87 PolarHBondContact O-N 3.1Å; F82-K89 HydrophobicContact CE2-CB 4.29Å; F82-I91 HydrophobicContact CD2-CD1 3.66Å; F82-I91 HydrophobicContact CD2-CG1 3.94Å; F82-I91 HydrophobicContact CE2-CD1 3.72Å; F82-I91 HydrophobicContact CE2-CG1 3.74Å; F82-I91 HydrophobicContact CG-CD1 4.11Å; F82-I91 HydrophobicContact CZ-CD1 4.23Å; F82-W110 AromaticContact CE2-CH2 3.67Å; F82-W110 HydrophobicContact CE2-CH2 3.67Å; F82-W110 AromaticContact CE2-CZ3 3.86Å; F82-W110 HydrophobicContact CE2-CZ3 3.86Å; F82-W110 AromaticContact CZ-CH2 3.78Å; F82-W110 HydrophobicContact CZ-CH2 3.78Å; F82-W110 AromaticContact CZ-CZ3 3.78Å; F82-W110 HydrophobicContact CZ-CZ3 3.78Å; F82-F111 HydrophobicContact CE1-CE2 4.24Å; F82-F111 HydrophobicContact CZ-CD2 4.34Å; F82-F111 HydrophobicContact CZ-CE2 4.15Å
83K98Very high98Very high181 Ų18155.1 Ų55.179%0.78727%0.274SS*.Hα-helixtrans-58.7-41.8177.4-175.5176.4-179.2177.20112.3Q79 G81 M85 G86Q79-K83 WeakPolarHBondContact O-CB 3.27Å; Q79-K83 PolarHBondContact O-N 3.31Å; G81-K83 PolarHBondContact O-N 2.68Å; K83-M85 VanDerWaalsContact C-N 3.33Å; K83-G86 PolarHBondContact O-N 3.36Å
84R97.8Very high98Very high151 Ų15156.2 Ų56.257%0.5728%0.283SS*.Hα-helixtrans-64-38.9178.2-179.5178.4-66152.49.7112.1G54 S55 A80 G81 F82G54-R84 PolarHBondContact O-NH1 3.16Å; S55-R84 PolarHBondContact O-NH1 3.29Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3.33Å; G81-R84 PolarHBondContact O-N 3.22Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 2.85Å
85M98Very high97.9Very high29 Ų2961.2 Ų61.214%0.14330%0.304CS..Hα-helixtrans-87.3-4.4-178.4-62.7-50.5-56.700113.7M1 A2 M48 F52 G81 F82 K83 V87M1-M85 CarbonylContact C-O 3.36Å; M1-M85 WeakPolarHBondContact CA-O 3.45Å; A2-M85 HydrophobicContact CB-CB 4.13Å; A2-M85 PolarHBondContact N-O 2.81Å; M48-M85 HydrophobicContact CE-CB 4.4Å; M48-M85 HydrophobicContact CE-CG 3.95Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.22Å; F52-M85 HydrophobicContact CB-SD 3.95Å; F52-M85 HydrophobicContact CD1-CE 3.48Å; F52-M85 VanDerWaalsContact CD1-CE 3.48Å; F52-M85 HydrophobicContact CD2-CE 4.11Å; F52-M85 HydrophobicContact CD2-CG 3.89Å; F52-M85 HydrophobicContact CE1-CE 3.93Å; F52-M85 HydrophobicContact CE2-CG 4.48Å; F52-M85 HydrophobicContact CG-CE 3.56Å; F52-M85 HydrophobicContact CG-CG 4.09Å; F52-M85 HydrophobicContact CG-SD 4.11Å; F52-M85 HydrophobicContact CZ-CE 4.41Å; G81-M85 WeakPolarHBondContact O-CG 3.49Å; G81-M85 PolarHBondContact O-N 2.88Å; F82-M85 CarbonylContact O-C 3.58Å; F82-M85 PolarHBondContact O-N 3.46Å; F82-M85 VanDerWaalsContact O-N 3.16Å; K83-M85 VanDerWaalsContact C-N 3.33Å; M85-V87 HydrophobicContact CB-CG2 4.18Å
86G97.3Very high97.9Very high26 Ų2661.2 Ų61.227%0.26830%0.304SS..THydrogen-bonded Turntrans7528.3-177.800000113.7N4 F82 K83N4-G86 PolarHBondContact ND2-O 3.09Å; N4-G86 VanDerWaalsContact ND2-O 3.09Å; F82-G86 PolarHBondContact O-N 3.39Å; K83-G86 PolarHBondContact O-N 3.36Å
87V98.1Very high97.9Very high12 Ų1255 Ų557%0.07328%0.278CS..  trans-78.3122.4174.3-175.60000108.8A2 N4 F82 M85 K89 W110 F114A2-V87 HydrophobicContact CB-CG2 3.76Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.45Å; F82-V87 HydrophobicContact CB-CB 3.86Å; F82-V87 HydrophobicContact CB-CG1 4.45Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.32Å; F82-V87 HydrophobicContact CD1-CG1 4.42Å; F82-V87 HydrophobicContact CD1-CG2 4.38Å; F82-V87 HydrophobicContact CD2-CB 3.86Å; F82-V87 HydrophobicContact CD2-CG1 3.48Å; F82-V87 VanDerWaalsContact CD2-CG1 3.48Å; F82-V87 HydrophobicContact CE2-CB 4.48Å; F82-V87 HydrophobicContact CE2-CG1 3.69Å; F82-V87 HydrophobicContact CG-CB 3.76Å; F82-V87 HydrophobicContact CG-CG1 3.88Å; F82-V87 HydrophobicContact CG-CG2 4.3Å; F82-V87 HydrophobicContact CZ-CG1 4.24Å; F82-V87 PolarHBondContact O-N 3.1Å; M85-V87 HydrophobicContact CB-CG2 4.18Å; V87-K89 HydrophobicContact CG1-CB 4.13Å; V87-W110 HydrophobicContact CG1-CH2 3.99Å; V87-W110 HydrophobicContact CG1-CZ2 4.31Å; V87-F114 HydrophobicContact CG1-CE2 4.15Å; V87-F114 HydrophobicContact CG1-CZ 4.44Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.57Å
88D95.4Very high97.8Very high84 Ų8458.5 Ų58.545%0.44929%0.292SS..  trans-93.9-8.5-174.166.5-2.5000114N4 Y6 I90N4-D88 PolarHBondContact OD1-N 3.07Å; N4-D88 VanDerWaalsContact OD1-N 3.14Å; N4-D88 PolarHBondContact OD1-OD1 3.47Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.4Å; Y6-D88 PolarHBondContact OH-OD2 2.89Å; D88-I90 PolarHBondContact O-N 3.36Å
89K97.2Very high97.6Very high61 Ų6159.6 Ų59.627%0.26530%0.303SS..PPolyproline II helixtrans-60.1122.4174.8-176.576.6169.1-152.10111.3F82 V87 I91 W110F82-K89 HydrophobicContact CE2-CB 4.29Å; V87-K89 HydrophobicContact CG1-CB 4.13Å; K89-I91 PolarHBondContact O-N 2.77Å; K89-W110 HydrophobicContact CB-CD2 4.47Å; K89-W110 HydrophobicContact CB-CH2 3.41Å; K89-W110 VanDerWaalsContact CB-CH2 3.41Å; K89-W110 HydrophobicContact CB-CZ2 3.21Å; K89-W110 HydrophobicContact CB-CZ3 4.1Å; K89-W110 HydrophobicContact CD-CD2 3.74Å; K89-W110 HydrophobicContact CD-CE3 4.26Å; K89-W110 HydrophobicContact CD-CG 4.13Å; K89-W110 HydrophobicContact CD-CH2 4.47Å; K89-W110 HydrophobicContact CD-CZ2 3.96Å; K89-W110 HydrophobicContact CG-CD2 3.77Å; K89-W110 HydrophobicContact CG-CE3 3.83Å; K89-W110 HydrophobicContact CG-CH2 3.56Å; K89-W110 HydrophobicContact CG-CZ2 3.47Å; K89-W110 VanDerWaalsContact CG-CZ2 3.47Å; K89-W110 HydrophobicContact CG-CZ3 3.73Å; K89-W110 VanDerWaalsContact NZ-CD1 3.27Å
90I96.9Very high97.5Very high148 Ų14861.7 Ų61.776%0.75931%0.311SS*.PPolyproline II helixtrans-74.3126.1170.6-59.9173.1000109.1D88 P92D88-I90 PolarHBondContact O-N 3.36Å; I90-P92 WeakPolarHBondContact O-CD 3.49Å
91I98.2Very high97.4Very high10 Ų1063 Ų635%0.05131%0.307CS..PPolyproline II helixtrans-88.7117.6175.3-56.7164.7000108.4F75 L78 Q79 F82 K89 V93 L96 F107F75-I91 HydrophobicContact CD1-CG2 3.84Å; F75-I91 HydrophobicContact CE1-CG2 4.03Å; L78-I91 HydrophobicContact CB-CD1 4.43Å; L78-I91 HydrophobicContact CD2-CD1 3.78Å; L78-I91 HydrophobicContact CG-CD1 3.8Å; Q79-I91 HydrophobicContact CG-CD1 3.78Å; F82-I91 HydrophobicContact CD2-CD1 3.66Å; F82-I91 HydrophobicContact CD2-CG1 3.94Å; F82-I91 HydrophobicContact CE2-CD1 3.72Å; F82-I91 HydrophobicContact CE2-CG1 3.74Å; F82-I91 HydrophobicContact CG-CD1 4.11Å; F82-I91 HydrophobicContact CZ-CD1 4.23Å; K89-I91 PolarHBondContact O-N 2.77Å; I91-V93 HydrophobicContact CB-CG2 4.23Å; I91-V93 HydrophobicContact CG2-CG2 3.83Å; I91-V93 PolarHBondContact O-N 2.85Å; I91-L96 HydrophobicContact CG2-CD1 3.71Å; I91-F107 HydrophobicContact CB-CE2 4.32Å; I91-F107 HydrophobicContact CB-CZ 4.5Å; I91-F107 HydrophobicContact CG1-CE2 3.97Å; I91-F107 HydrophobicContact CG1-CZ 3.93Å; I91-F107 HydrophobicContact CG2-CE2 4.11Å; I91-F107 HydrophobicContact CG2-CZ 4.05Å
92P97.8Very high97.3Very high40 Ų4070.3 Ų70.326%0.2634%0.341SS..  trans-78.467178.632.4-34000111.1I90 D94 K95 L96I90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-D94 VanDerWaalsContact C-N 3.29Å; P92-D94 PolarHBondContact O-N 2.79Å; P92-K95 HydrophobicContact CB-CB 4.4Å; P92-K95 HydrophobicContact CB-CD 4.34Å; P92-K95 HydrophobicContact CB-CG 4.41Å; P92-K95 PolarHBondContact O-N 3Å; P92-L96 HydrophobicContact CG-CD1 4.32Å; P92-L96 HydrophobicContact CG-CG 4.14Å; P92-L96 WeakPolarHBondContact O-CG 3.39Å; P92-L96 PolarHBondContact O-N 3.38Å
93V98.3Very high97.2Very high23 Ų2371.3 Ų71.314%0.13935%0.347CS..Hα-helixtrans-54.4-44.1-170.61790000112I72 F75 I91 K95 L96 V97I72-V93 HydrophobicContact CG1-CG1 4.49Å; F75-V93 HydrophobicContact CB-CB 4.42Å; F75-V93 HydrophobicContact CB-CG1 3.73Å; F75-V93 HydrophobicContact CB-CG2 3.83Å; F75-V93 HydrophobicContact CD1-CG2 4.46Å; F75-V93 HydrophobicContact CD2-CG1 4.08Å; F75-V93 HydrophobicContact CG-CG1 4.06Å; F75-V93 HydrophobicContact CG-CG2 4.2Å; I91-V93 HydrophobicContact CB-CG2 4.23Å; I91-V93 HydrophobicContact CG2-CG2 3.83Å; I91-V93 PolarHBondContact O-N 2.85Å; V93-K95 PolarHBondContact O-N 3.28Å; V93-L96 PolarHBondContact O-N 3.47Å; V93-V97 HydrophobicContact CG1-CG1 3.92Å; V93-V97 VanDerWaalsContact O-CG1 3.3Å; V93-V97 WeakPolarHBondContact O-CG1 3.38Å; V93-V97 VanDerWaalsContact O-CG2 3.23Å; V93-V97 WeakPolarHBondContact O-CG2 3.23Å; V93-V97 PolarHBondContact O-N 3.12Å
94D96.7Very high97.2Very high110 Ų11062.7 Ų62.759%0.58831%0.309SS*.Hα-helixtrans-57.9-31.518062.2-47.6000113.4P92 K98P92-D94 VanDerWaalsContact C-N 3.29Å; P92-D94 PolarHBondContact O-N 2.79Å; D94-K98 VanDerWaalsContact O-CG 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.46Å
95K97.8Very high97.2Very high104 Ų10457.5 Ų57.545%0.45229%0.291SS..Hα-helixtrans-85.7-46.3176.2-56.4-170.4-178-177.30112.1P92 V93 V97 K98 D103P92-K95 HydrophobicContact CB-CB 4.4Å; P92-K95 HydrophobicContact CB-CD 4.34Å; P92-K95 HydrophobicContact CB-CG 4.41Å; P92-K95 PolarHBondContact O-N 3Å; V93-K95 PolarHBondContact O-N 3.28Å; K95-V97 PolarHBondContact O-N 3.49Å; K95-K98 WeakPolarHBondContact O-CB 3.23Å; K95-K98 PolarHBondContact O-N 3.11Å; K95-D103 HydrophobicContact CB-CB 4.04Å; K95-D103 VanDerWaalsContact CD-OD1 3.31Å; K95-D103 WeakPolarHBondContact CD-OD1 3.39Å
96L98.3Very high97.1Very high0 Ų062.4 Ų62.40%031%0.313CS..Hα-helixtrans-61.2-45-175.7-64.6178.1000112C39 F75 I91 P92 V93 K98 G99 D103 N104 F107C39-L96 WeakPolarHBondContact CB-O 3.39Å; F75-L96 HydrophobicContact CE1-CB 4.44Å; F75-L96 HydrophobicContact CE1-CD1 3.65Å; F75-L96 HydrophobicContact CE2-CB 3.95Å; F75-L96 HydrophobicContact CZ-CB 3.68Å; F75-L96 HydrophobicContact CZ-CD1 3.68Å; F75-L96 HydrophobicContact CZ-CG 4.33Å; I91-L96 HydrophobicContact CG2-CD1 3.71Å; P92-L96 HydrophobicContact CG-CD1 4.32Å; P92-L96 HydrophobicContact CG-CG 4.14Å; P92-L96 WeakPolarHBondContact O-CG 3.39Å; P92-L96 PolarHBondContact O-N 3.38Å; V93-L96 PolarHBondContact O-N 3.47Å; L96-K98 PolarHBondContact O-N 2.8Å; L96-K98 VanDerWaalsContact O-N 3.08Å; L96-G99 PolarHBondContact O-N 3.35Å; L96-D103 HydrophobicContact CD2-CB 4.36Å; L96-D103 WeakPolarHBondContact CD2-O 3.46Å; L96-N104 HydrophobicContact CD2-CB 4.44Å; L96-N104 PolarHBondContact O-ND2 2.82Å; L96-N104 VanDerWaalsContact O-ND2 3.15Å; L96-F107 HydrophobicContact CD1-CB 4.28Å; L96-F107 HydrophobicContact CD1-CD1 3.82Å; L96-F107 HydrophobicContact CD1-CD2 4.2Å; L96-F107 HydrophobicContact CD1-CE1 4.2Å; L96-F107 HydrophobicContact CD1-CG 3.82Å; L96-F107 HydrophobicContact CD2-CB 3.74Å; L96-F107 HydrophobicContact CD2-CG 4.22Å
97V98.1Very high97.2Very high5 Ų561.4 Ų61.43%0.0330%0.302CS..THydrogen-bonded Turntrans-65.2-14.5-177.5-60.80000113.6E68 I72 F75 V93 K95 G99E68-V97 HydrophobicContact CG-CB 3.94Å; E68-V97 HydrophobicContact CG-CG2 3.76Å; I72-V97 HydrophobicContact CG1-CB 4.45Å; I72-V97 HydrophobicContact CG1-CG1 3.94Å; I72-V97 HydrophobicContact CG1-CG2 4.28Å; F75-V97 HydrophobicContact CD2-CG1 3.47Å; F75-V97 VanDerWaalsContact CD2-CG1 3.47Å; F75-V97 HydrophobicContact CE2-CG1 3.65Å; V93-V97 HydrophobicContact CG1-CG1 3.92Å; V93-V97 VanDerWaalsContact O-CG1 3.3Å; V93-V97 WeakPolarHBondContact O-CG1 3.38Å; V93-V97 VanDerWaalsContact O-CG2 3.23Å; V93-V97 WeakPolarHBondContact O-CG2 3.23Å; V93-V97 PolarHBondContact O-N 3.12Å; K95-V97 PolarHBondContact O-N 3.49Å; V97-G99 PolarHBondContact O-N 2.91Å
98K97.1Very high97.2Very high101 Ų10160.8 Ų60.844%0.43930%0.298SS..THydrogen-bonded Turntrans-77.1-6.7174-56-58.6178.6-173.20113.2E68 D94 K95 L96 K100E68-K98 IonicContact OE1-NZ 2.65Å; E68-K98 PolarHBondContact OE1-NZ 2.96Å; E68-K98 WeakPolarHBondContact OE2-CD 3.43Å; E68-K98 IonicContact OE2-NZ 2.7Å; E68-K98 PolarHBondContact OE2-NZ 3.41Å; D94-K98 VanDerWaalsContact O-CG 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.46Å; K95-K98 WeakPolarHBondContact O-CB 3.23Å; K95-K98 PolarHBondContact O-N 3.11Å; L96-K98 PolarHBondContact O-N 2.8Å; L96-K98 VanDerWaalsContact O-N 3.08Å; K98-K100 VanDerWaalsContact C-N 3.27Å; K98-K100 HydrophobicContact CB-CG 4.24Å; K98-K100 PolarHBondContact O-N 3.06Å
99G95.4Very high97.2Very high22 Ų2257.8 Ų57.823%0.22728%0.281CS..THydrogen-bonded Turntrans65.229.7178.500000113.3E36 L96 V97E36-G99 WeakPolarHBondContact CB-O 3.43Å; E36-G99 WeakPolarHBondContact CG-O 2.98Å; L96-G99 PolarHBondContact O-N 3.35Å; V97-G99 PolarHBondContact O-N 2.91Å
100K95.2Very high97.2Very high130 Ų13055.2 Ų55.257%0.56527%0.27SS*.  trans-78.7133.8174.3-67-171.4176.9-172.70110.4K98 N104K98-K100 VanDerWaalsContact C-N 3.27Å; K98-K100 HydrophobicContact CB-CG 4.24Å; K98-K100 PolarHBondContact O-N 3.06Å; K100-N104 WeakPolarHBondContact O-CB 3.3Å; K100-N104 PolarHBondContact O-N 2.7Å; K100-N104 PolarHBondContact O-ND2 3.44Å
101F96.7Very high97.3Very high80 Ų8048.2 Ų48.235%0.35123%0.234SC..Hα-helixtrans-56.6-54.1-178177.5-98.9000112.4R17 I35 E36 D103 N104 F105R17-F101 HydrophobicContact CG-CE2 4.26Å; I35-F101 HydrophobicContact CB-CD2 4.04Å; I35-F101 HydrophobicContact CB-CE2 3.91Å; I35-F101 HydrophobicContact CG1-CE2 3.96Å; I35-F101 HydrophobicContact CG2-CD2 4.45Å; I35-F101 HydrophobicContact CG2-CE2 4.43Å; E36-F101 HydrophobicContact CG-CB 4.09Å; F101-D103 PolarHBondContact O-N 3.41Å; F101-N104 PolarHBondContact O-N 2.64Å; F101-F105 HydrophobicContact CE1-CB 4.21Å; F101-F105 HydrophobicContact CE1-CD1 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.29Å; F101-F105 HydrophobicContact CE2-CB 4.39Å; F101-F105 HydrophobicContact CE2-CG 4.4Å; F101-F105 HydrophobicContact CZ-CB 4.1Å; F101-F105 HydrophobicContact CZ-CD1 4.03Å; F101-F105 HydrophobicContact CZ-CD2 4.32Å; F101-F105 AromaticContact CZ-CG 3.9Å; F101-F105 HydrophobicContact CZ-CG 3.9Å; F101-F105 VanDerWaalsContact O-CB 3.25Å; F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 3.29Å
102Q96.3Very high97.2Very high153 Ų15348.9 Ų48.972%0.71524%0.237SC*.Hα-helixtrans-58-51.6-173.5-174.6175.4-18.900112.6N104 F105 E106Q102-N104 PolarHBondContact O-N 2.65Å; Q102-F105 PolarHBondContact O-N 3.03Å; Q102-E106 WeakPolarHBondContact O-CB 3.44Å; Q102-E106 PolarHBondContact O-N 3.21Å
103D97.1Very high97.1Very high28 Ų2848.4 Ų48.415%0.1523%0.23CC..Hα-helixtrans-63.3-41.5179.8-60.7-65.2000112K95 L96 F101 F107K95-D103 HydrophobicContact CB-CB 4.04Å; K95-D103 VanDerWaalsContact CD-OD1 3.31Å; K95-D103 WeakPolarHBondContact CD-OD1 3.39Å; L96-D103 HydrophobicContact CD2-CB 4.36Å; L96-D103 WeakPolarHBondContact CD2-O 3.46Å; F101-D103 PolarHBondContact O-N 3.41Å; D103-F107 WeakPolarHBondContact O-CB 3.24Å; D103-F107 PolarHBondContact O-N 3.43Å; D103-F107 VanDerWaalsContact O-N 3.15Å
104N98.3Very high97.1Very high0 Ų047.3 Ų47.30%022%0.224CC..Hα-helixtrans-69.3-37.5178.4-80.1-86.7000111.8I35 C39 L96 K100 F101 Q102 F107 V108I35-N104 HydrophobicContact CG2-CB 3.92Å; C39-N104 PolarHBondContact N-OD1 3.12Å; L96-N104 HydrophobicContact CD2-CB 4.44Å; L96-N104 PolarHBondContact O-ND2 2.82Å; L96-N104 VanDerWaalsContact O-ND2 3.15Å; K100-N104 WeakPolarHBondContact O-CB 3.3Å; K100-N104 PolarHBondContact O-N 2.7Å; K100-N104 PolarHBondContact O-ND2 3.44Å; F101-N104 PolarHBondContact O-N 2.64Å; Q102-N104 PolarHBondContact O-N 2.65Å; N104-F107 PolarHBondContact O-N 2.99Å; N104-V108 WeakPolarHBondContact O-CB 3.02Å; N104-V108 WeakPolarHBondContact O-CG1 3.11Å; N104-V108 PolarHBondContact O-N 3.37Å
105F97.5Very high97.1Very high42 Ų4242.5 Ų42.518%0.18420%0.198CC..Hα-helixtrans-71.4-41-179.9-163.7-125.4000111.6R17 M20 I35 F101 Q102 F107 V108 Q109R17-F105 HydrophobicContact CB-CE2 4.37Å; R17-F105 HydrophobicContact CB-CZ 4.45Å; M20-F105 HydrophobicContact CB-CE2 4.36Å; I35-F105 HydrophobicContact CD1-CD2 4.03Å; I35-F105 HydrophobicContact CD1-CE2 4.28Å; I35-F105 HydrophobicContact CG1-CD2 3.9Å; I35-F105 HydrophobicContact CG1-CE2 4.37Å; I35-F105 HydrophobicContact CG2-CB 3.98Å; I35-F105 HydrophobicContact CG2-CD2 4.02Å; I35-F105 HydrophobicContact CG2-CG 4.48Å; F101-F105 HydrophobicContact CE1-CB 4.21Å; F101-F105 HydrophobicContact CE1-CD1 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.29Å; F101-F105 HydrophobicContact CE2-CB 4.39Å; F101-F105 HydrophobicContact CE2-CG 4.4Å; F101-F105 HydrophobicContact CZ-CB 4.1Å; F101-F105 HydrophobicContact CZ-CD1 4.03Å; F101-F105 HydrophobicContact CZ-CD2 4.32Å; F101-F105 AromaticContact CZ-CG 3.9Å; F101-F105 HydrophobicContact CZ-CG 3.9Å; F101-F105 VanDerWaalsContact O-CB 3.25Å; F101-F105 WeakPolarHBondContact O-CB 3.5Å; F101-F105 PolarHBondContact O-N 3.29Å; Q102-F105 PolarHBondContact O-N 3.03Å; F105-F107 VanDerWaalsContact C-N 3.34Å; F105-F107 PolarHBondContact O-N 2.88Å; F105-V108 HydrophobicContact CD2-CG1 3.96Å; F105-V108 WeakPolarHBondContact O-CG1 3.46Å; F105-V108 PolarHBondContact O-N 3.24Å; F105-Q109 HydrophobicContact CZ-CG 4.48Å; F105-Q109 WeakPolarHBondContact O-CG 3.46Å; F105-Q109 PolarHBondContact O-N 2.98Å; F105-Q109 VanDerWaalsContact O-N 3.07Å
106E96.3Very high97Very high131 Ų13141.4 Ų41.461%0.61220%0.197SC*.Hα-helixtrans-59.1-46.6172.7-173.3-170.6165.600111.4Q102 Q109 W110Q102-E106 WeakPolarHBondContact O-CB 3.44Å; Q102-E106 PolarHBondContact O-N 3.21Å; E106-Q109 PolarHBondContact O-N 3.06Å; E106-W110 PolarHBondContact O-N 3.12Å
107F98.1Very high96.9Very high5 Ų543.7 Ų43.72%0.02222%0.216CC..Hα-helixtrans-67.1-42-178.3-174.9-101.5000112.6Y44 I91 L96 D103 N104 F105 Q109 W110 F111Y44-F107 HydrophobicContact CD1-CE1 4.11Å; Y44-F107 HydrophobicContact CD2-CD1 4.5Å; Y44-F107 HydrophobicContact CD2-CE1 4.04Å; Y44-F107 AromaticContact CE1-CD1 4Å; Y44-F107 HydrophobicContact CE1-CD1 4Å; Y44-F107 AromaticContact CE1-CE1 3.91Å; Y44-F107 HydrophobicContact CE1-CE1 3.91Å; Y44-F107 AromaticContact CE2-CD1 3.84Å; Y44-F107 HydrophobicContact CE2-CD1 3.84Å; Y44-F107 AromaticContact CE2-CE1 3.84Å; Y44-F107 HydrophobicContact CE2-CE1 3.84Å; Y44-F107 HydrophobicContact CG-CE1 4.18Å; Y44-F107 AromaticContact CZ-CD1 3.56Å; Y44-F107 AromaticContact CZ-CE1 3.78Å; I91-F107 HydrophobicContact CB-CE2 4.32Å; I91-F107 HydrophobicContact CB-CZ 4.5Å; I91-F107 HydrophobicContact CG1-CE2 3.97Å; I91-F107 HydrophobicContact CG1-CZ 3.93Å; I91-F107 HydrophobicContact CG2-CE2 4.11Å; I91-F107 HydrophobicContact CG2-CZ 4.05Å; L96-F107 HydrophobicContact CD1-CB 4.28Å; L96-F107 HydrophobicContact CD1-CD1 3.82Å; L96-F107 HydrophobicContact CD1-CD2 4.2Å; L96-F107 HydrophobicContact CD1-CE1 4.2Å; L96-F107 HydrophobicContact CD1-CG 3.82Å; L96-F107 HydrophobicContact CD2-CB 3.74Å; L96-F107 HydrophobicContact CD2-CG 4.22Å; D103-F107 WeakPolarHBondContact O-CB 3.24Å; D103-F107 PolarHBondContact O-N 3.43Å; D103-F107 VanDerWaalsContact O-N 3.15Å; N104-F107 PolarHBondContact O-N 2.99Å; F105-F107 VanDerWaalsContact C-N 3.34Å; F105-F107 PolarHBondContact O-N 2.88Å; F107-Q109 VanDerWaalsContact C-N 3.35Å; F107-Q109 PolarHBondContact O-N 2.95Å; F107-W110 HydrophobicContact CD2-CE3 4.36Å; F107-W110 AromaticContact CE2-CE3 3.98Å; F107-W110 HydrophobicContact CE2-CE3 3.98Å; F107-W110 HydrophobicContact CE2-CZ3 4.05Å; F107-W110 HydrophobicContact CZ-CE3 4.34Å; F107-W110 HydrophobicContact CZ-CZ3 4.13Å; F107-W110 PolarHBondContact O-N 3.28Å; F107-F111 HydrophobicContact CE1-CD2 4.2Å; F107-F111 HydrophobicContact CZ-CD2 4.37Å; F107-F111 WeakPolarHBondContact O-CB 3.35Å; F107-F111 PolarHBondContact O-N 3.44Å
108V98.3Very high96.9Very high0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-68.4-33.3179.474.60000112.2M20 W23 I24 I35 L38 Y44 N104 F105 F111 K112M20-V108 HydrophobicContact CE-CG1 4.14Å; M20-V108 HydrophobicContact CE-CG2 4.45Å; M20-V108 HydrophobicContact CG-CG1 3.8Å; M20-V108 HydrophobicContact CG-CG2 3.9Å; M20-V108 HydrophobicContact SD-CB 4.49Å; M20-V108 HydrophobicContact SD-CG1 4.15Å; M20-V108 HydrophobicContact SD-CG2 3.65Å; W23-V108 HydrophobicContact CZ3-CG2 4.35Å; I24-V108 HydrophobicContact CD1-CG2 3.97Å; I35-V108 HydrophobicContact CD1-CG1 4.44Å; I35-V108 HydrophobicContact CG2-CG1 4.41Å; L38-V108 HydrophobicContact CD1-CB 3.85Å; L38-V108 HydrophobicContact CD1-CG1 4.3Å; L38-V108 HydrophobicContact CD1-CG2 3.6Å; Y44-V108 HydrophobicContact CE1-CB 4.49Å; Y44-V108 HydrophobicContact CE1-CG2 4.24Å; Y44-V108 WeakPolarHBondContact OH-CB 3.26Å; N104-V108 WeakPolarHBondContact O-CB 3.02Å; N104-V108 WeakPolarHBondContact O-CG1 3.11Å; N104-V108 PolarHBondContact O-N 3.37Å; F105-V108 HydrophobicContact CD2-CG1 3.96Å; F105-V108 WeakPolarHBondContact O-CG1 3.46Å; F105-V108 PolarHBondContact O-N 3.24Å; V108-F111 PolarHBondContact O-N 2.88Å; V108-K112 WeakPolarHBondContact O-CB 3.39Å; V108-K112 PolarHBondContact O-N 2.83Å
109Q96.2Very high96.9Very high20 Ų2044 Ų449%0.09322%0.215CC..Hα-helixtrans-59.8-48.3173.2-71.7-7516.900111.3L15 M20 F105 E106 F107 F111 K112 K113L15-Q109 PolarHBondContact O-NE2 2.95Å; M20-Q109 HydrophobicContact CE-CG 4.21Å; M20-Q109 VanDerWaalsContact CE-OE1 3.25Å; F105-Q109 HydrophobicContact CZ-CG 4.48Å; F105-Q109 WeakPolarHBondContact O-CG 3.46Å; F105-Q109 PolarHBondContact O-N 2.98Å; F105-Q109 VanDerWaalsContact O-N 3.07Å; E106-Q109 PolarHBondContact O-N 3.06Å; F107-Q109 VanDerWaalsContact C-N 3.35Å; F107-Q109 PolarHBondContact O-N 2.95Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.21Å; Q109-K112 PolarHBondContact O-N 3.12Å; Q109-K113 WeakPolarHBondContact O-CG 3.29Å; Q109-K113 PolarHBondContact O-N 3.17Å
110W97.1Very high96.9Very high8 Ų848 Ų483%0.0323%0.232CC..Hα-helixtrans-61.6-43.5173.7171.781.9000111.5V5 F82 V87 K89 E106 F107 K112 K113 F114V5-W110 PolarHBondContact O-NE1 2.94Å; F82-W110 AromaticContact CE2-CH2 3.67Å; F82-W110 HydrophobicContact CE2-CH2 3.67Å; F82-W110 AromaticContact CE2-CZ3 3.86Å; F82-W110 HydrophobicContact CE2-CZ3 3.86Å; F82-W110 AromaticContact CZ-CH2 3.78Å; F82-W110 HydrophobicContact CZ-CH2 3.78Å; F82-W110 AromaticContact CZ-CZ3 3.78Å; F82-W110 HydrophobicContact CZ-CZ3 3.78Å; V87-W110 HydrophobicContact CG1-CH2 3.99Å; V87-W110 HydrophobicContact CG1-CZ2 4.31Å; K89-W110 HydrophobicContact CB-CD2 4.47Å; K89-W110 HydrophobicContact CB-CH2 3.41Å; K89-W110 VanDerWaalsContact CB-CH2 3.41Å; K89-W110 HydrophobicContact CB-CZ2 3.21Å; K89-W110 HydrophobicContact CB-CZ3 4.1Å; K89-W110 HydrophobicContact CD-CD2 3.74Å; K89-W110 HydrophobicContact CD-CE3 4.26Å; K89-W110 HydrophobicContact CD-CG 4.13Å; K89-W110 HydrophobicContact CD-CH2 4.47Å; K89-W110 HydrophobicContact CD-CZ2 3.96Å; K89-W110 HydrophobicContact CG-CD2 3.77Å; K89-W110 HydrophobicContact CG-CE3 3.83Å; K89-W110 HydrophobicContact CG-CH2 3.56Å; K89-W110 HydrophobicContact CG-CZ2 3.47Å; K89-W110 VanDerWaalsContact CG-CZ2 3.47Å; K89-W110 HydrophobicContact CG-CZ3 3.73Å; K89-W110 VanDerWaalsContact NZ-CD1 3.27Å; E106-W110 PolarHBondContact O-N 3.12Å; F107-W110 HydrophobicContact CD2-CE3 4.36Å; F107-W110 AromaticContact CE2-CE3 3.98Å; F107-W110 HydrophobicContact CE2-CE3 3.98Å; F107-W110 HydrophobicContact CE2-CZ3 4.05Å; F107-W110 HydrophobicContact CZ-CE3 4.34Å; F107-W110 HydrophobicContact CZ-CZ3 4.13Å; F107-W110 PolarHBondContact O-N 3.28Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.25Å; W110-K113 PolarHBondContact O-N 3.14Å; W110-F114 HydrophobicContact CH2-CB 4.07Å; W110-F114 HydrophobicContact CH2-CD1 4.42Å; W110-F114 HydrophobicContact CH2-CD2 4.23Å; W110-F114 AromaticContact CH2-CG 3.98Å; W110-F114 HydrophobicContact CH2-CG 3.98Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.15Å; W110-F114 HydrophobicContact CZ2-CG 4.15Å; W110-F114 HydrophobicContact CZ3-CB 4.45Å; W110-F114 PolarHBondContact O-N 3.5Å
111F98.3Very high96.9Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-63.4-36.9-178.1-167.4-83.1000112.1W23 Y44 F47 M48 F82 F107 V108 Q109 F114 F115W23-F111 HydrophobicContact CH2-CD1 4.27Å; Y44-F111 HydrophobicContact CD1-CB 4.42Å; Y44-F111 AromaticContact CD1-CD1 3.87Å; Y44-F111 HydrophobicContact CD1-CD1 3.87Å; Y44-F111 AromaticContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CE1 4.01Å; Y44-F111 AromaticContact CD1-CE2 3.78Å; Y44-F111 HydrophobicContact CD1-CE2 3.78Å; Y44-F111 AromaticContact CD1-CG 3.69Å; Y44-F111 HydrophobicContact CD1-CG 3.69Å; Y44-F111 AromaticContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CD1-CZ 3.97Å; Y44-F111 HydrophobicContact CE1-CB 4.09Å; Y44-F111 HydrophobicContact CE1-CD1 4.15Å; Y44-F111 HydrophobicContact CE1-CD2 4.14Å; Y44-F111 AromaticContact CE1-CG 3.85Å; Y44-F111 HydrophobicContact CE1-CG 3.85Å; Y44-F111 HydrophobicContact CG-CD2 4.45Å; Y44-F111 HydrophobicContact CG-CE2 4.35Å; F47-F111 HydrophobicContact CB-CE1 3.5Å; F47-F111 VanDerWaalsContact CB-CE1 3.5Å; F47-F111 HydrophobicContact CB-CZ 3.62Å; F47-F111 AromaticContact CD2-CE1 3.79Å; F47-F111 HydrophobicContact CD2-CE1 3.79Å; F47-F111 AromaticContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CE1 3.82Å; F47-F111 HydrophobicContact CG-CZ 4.41Å; M48-F111 HydrophobicContact CG-CZ 4.42Å; F82-F111 HydrophobicContact CE1-CE2 4.24Å; F82-F111 HydrophobicContact CZ-CD2 4.34Å; F82-F111 HydrophobicContact CZ-CE2 4.15Å; F107-F111 HydrophobicContact CE1-CD2 4.2Å; F107-F111 HydrophobicContact CZ-CD2 4.37Å; F107-F111 WeakPolarHBondContact O-CB 3.35Å; F107-F111 PolarHBondContact O-N 3.44Å; V108-F111 PolarHBondContact O-N 2.88Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.21Å; F111-F114 WeakPolarHBondContact O-CB 3.34Å; F111-F114 PolarHBondContact O-N 3.16Å; F111-F115 WeakPolarHBondContact O-CB 3.44Å; F111-F115 PolarHBondContact O-N 2.83Å
112K97.3Very high96.8Very high25 Ų2543.2 Ų43.211%0.10923%0.225CC..Hα-helixtrans-61.6-47.7174.1177.356.5163.280.90111.6L15 M20 W23 V108 Q109 W110 F114 F115 D116L15-K112 HydrophobicContact CD1-CG 4.29Å; L15-K112 HydrophobicContact CD2-CG 4.42Å; M20-K112 HydrophobicContact CE-CB 3.96Å; M20-K112 HydrophobicContact CE-CG 4.41Å; M20-K112 HydrophobicContact SD-CB 4.14Å; W23-K112 HydrophobicContact CD2-CD 3.56Å; W23-K112 VanDerWaalsContact CE2-CD 3.45Å; W23-K112 HydrophobicContact CE3-CB 4.47Å; W23-K112 HydrophobicContact CE3-CD 3.67Å; W23-K112 HydrophobicContact CE3-CG 4.42Å; W23-K112 HydrophobicContact CG-CD 4.29Å; W23-K112 HydrophobicContact CH2-CB 4.13Å; W23-K112 HydrophobicContact CH2-CD 3.62Å; W23-K112 HydrophobicContact CH2-CG 4.49Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.95Å; W23-K112 HydrophobicContact CZ3-CD 3.71Å; W23-K112 HydrophobicContact CZ3-CG 4.32Å; V108-K112 WeakPolarHBondContact O-CB 3.39Å; V108-K112 PolarHBondContact O-N 2.83Å; Q109-K112 PolarHBondContact O-N 3.12Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.25Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 2.56Å; K112-F115 WeakPolarHBondContact O-CB 3.39Å; K112-F115 PolarHBondContact O-N 2.87Å; K112-F115 VanDerWaalsContact O-N 3.11Å; K112-D116 IonicContact NZ-OD1 3.23Å; K112-D116 PolarHBondContact NZ-OD1 3.3Å; K112-D116 IonicContact NZ-OD2 2.81Å; K112-D116 PolarHBondContact NZ-OD2 3.23Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.24Å
113K95.3Very high96.7Very high30 Ų3043.8 Ų43.813%0.1323%0.233CC..Hα-helixtrans-61.9-40.6176.7-62.1-178.8-178.2-164.10111.4V5 T11 S12 N14 Q109 W110 D116 A117V5-K113 HydrophobicContact CG1-CB 3.99Å; T11-K113 PolarHBondContact OG1-NZ 3.35Å; S12-K113 VanDerWaalsContact O-CE 3.24Å; S12-K113 WeakPolarHBondContact O-CE 3.32Å; S12-K113 PolarHBondContact O-NZ 2.94Å; N14-K113 WeakPolarHBondContact OD1-CE 3.38Å; N14-K113 PolarHBondContact OD1-NZ 3.24Å; Q109-K113 WeakPolarHBondContact O-CG 3.29Å; Q109-K113 PolarHBondContact O-N 3.17Å; W110-K113 PolarHBondContact O-N 3.14Å; K113-D116 PolarHBondContact O-N 2.92Å; K113-A117 WeakPolarHBondContact O-CB 3.5Å; K113-A117 PolarHBondContact O-N 2.87Å; K113-A117 VanDerWaalsContact O-N 3.12Å
114F97.1Very high96.8Very high0 Ų044.9 Ų44.90%024%0.236CC..Hα-helixtrans-61.1-43.1172.6172.3-100.7000112.1A2 V3 M48 L51 F52 V87 W110 F111 K112 A117 N118A2-F114 HydrophobicContact CB-CE2 3.89Å; A2-F114 HydrophobicContact CB-CZ 3.92Å; V3-F114 WeakPolarHBondContact O-CE2 3.45Å; M48-F114 HydrophobicContact SD-CE1 3.85Å; M48-F114 HydrophobicContact SD-CZ 4.31Å; L51-F114 HydrophobicContact CD1-CD1 4.13Å; L51-F114 HydrophobicContact CD1-CE1 3.7Å; F52-F114 HydrophobicContact CE2-CE1 4.36Å; F52-F114 AromaticContact CE2-CZ 3.95Å; F52-F114 HydrophobicContact CE2-CZ 3.95Å; V87-F114 HydrophobicContact CG1-CE2 4.15Å; V87-F114 HydrophobicContact CG1-CZ 4.44Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.57Å; W110-F114 HydrophobicContact CH2-CB 4.07Å; W110-F114 HydrophobicContact CH2-CD1 4.42Å; W110-F114 HydrophobicContact CH2-CD2 4.23Å; W110-F114 AromaticContact CH2-CG 3.98Å; W110-F114 HydrophobicContact CH2-CG 3.98Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.15Å; W110-F114 HydrophobicContact CZ2-CG 4.15Å; W110-F114 HydrophobicContact CZ3-CB 4.45Å; W110-F114 PolarHBondContact O-N 3.5Å; F111-F114 WeakPolarHBondContact O-CB 3.34Å; F111-F114 PolarHBondContact O-N 3.16Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 2.56Å; F114-A117 PolarHBondContact O-N 3.18Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.45Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.49Å; F114-N118 PolarHBondContact O-N 3.39Å; F114-N118 PolarHBondContact O-ND2 3.04Å
115F97.7Very high96.7Very high9 Ų949.1 Ų49.14%0.03926%0.258CS..Hα-helixtrans-61.2-50.7177-177.4-85.3000111.1W23 F47 M50 L51 F111 K112 A117 N118 Y119W23-F115 HydrophobicContact CH2-CB 4.38Å; W23-F115 HydrophobicContact CH2-CG 4.5Å; W23-F115 HydrophobicContact CZ2-CB 4.09Å; W23-F115 AromaticContact CZ2-CD1 3.89Å; W23-F115 HydrophobicContact CZ2-CD1 3.89Å; W23-F115 HydrophobicContact CZ2-CD2 4.25Å; W23-F115 HydrophobicContact CZ2-CE1 4.42Å; W23-F115 AromaticContact CZ2-CG 3.8Å; W23-F115 HydrophobicContact CZ2-CG 3.8Å; F47-F115 HydrophobicContact CB-CD2 4.48Å; F47-F115 AromaticContact CD1-CD2 3.8Å; F47-F115 HydrophobicContact CD1-CD2 3.8Å; F47-F115 AromaticContact CD1-CE2 3.55Å; F47-F115 HydrophobicContact CD1-CE2 3.55Å; F47-F115 HydrophobicContact CD1-CZ 4.38Å; F47-F115 HydrophobicContact CE1-CD2 4.35Å; F47-F115 HydrophobicContact CE1-CE2 4.05Å; F47-F115 HydrophobicContact CG-CD2 4.39Å; F47-F115 HydrophobicContact CG-CE2 4.48Å; M50-F115 HydrophobicContact CG-CE2 4.44Å; M50-F115 HydrophobicContact SD-CE2 3.57Å; M50-F115 VanDerWaalsContact SD-CE2 3.57Å; M50-F115 HydrophobicContact SD-CZ 3.57Å; M50-F115 VanDerWaalsContact SD-CZ 3.57Å; L51-F115 HydrophobicContact CD1-CB 4.48Å; L51-F115 HydrophobicContact CD1-CD2 3.77Å; L51-F115 HydrophobicContact CD1-CE2 4.44Å; L51-F115 HydrophobicContact CD1-CG 4.47Å; L51-F115 HydrophobicContact CD2-CD2 3.55Å; L51-F115 HydrophobicContact CD2-CE2 3.62Å; L51-F115 HydrophobicContact CD2-CG 4.1Å; L51-F115 HydrophobicContact CD2-CZ 4.27Å; L51-F115 HydrophobicContact CG-CD2 3.63Å; L51-F115 HydrophobicContact CG-CE2 3.8Å; F111-F115 WeakPolarHBondContact O-CB 3.44Å; F111-F115 PolarHBondContact O-N 2.83Å; K112-F115 WeakPolarHBondContact O-CB 3.39Å; K112-F115 PolarHBondContact O-N 2.87Å; K112-F115 VanDerWaalsContact O-N 3.11Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.48Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3.35Å; F115-Y119 HydrophobicContact CD1-CG 4.49Å; F115-Y119 AromaticContact CE1-CD1 3.95Å; F115-Y119 HydrophobicContact CE1-CD1 3.95Å; F115-Y119 HydrophobicContact CE1-CD2 4Å; F115-Y119 AromaticContact CE1-CG 3.62Å; F115-Y119 HydrophobicContact CE1-CG 3.62Å; F115-Y119 HydrophobicContact CE2-CD2 4.19Å; F115-Y119 HydrophobicContact CZ-CD1 4.21Å; F115-Y119 AromaticContact CZ-CD2 3.51Å; F115-Y119 HydrophobicContact CZ-CD2 3.51Å; F115-Y119 AromaticContact CZ-CE2 3.93Å; F115-Y119 HydrophobicContact CZ-CE2 3.93Å; F115-Y119 AromaticContact CZ-CG 3.65Å; F115-Y119 HydrophobicContact CZ-CG 3.65Å; F115-Y119 WeakPolarHBondContact O-CB 3.48Å; F115-Y119 PolarHBondContact O-N 3.32Å
116D96.1Very high96.6Very high81 Ų8147.2 Ų47.243%0.43325%0.25SS..Hα-helixtrans-60.7-36-178.7-65.3-21.2000112.6K112 K113 N118K112-D116 IonicContact NZ-OD1 3.23Å; K112-D116 PolarHBondContact NZ-OD1 3.3Å; K112-D116 IonicContact NZ-OD2 2.81Å; K112-D116 PolarHBondContact NZ-OD2 3.23Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 3.24Å; K113-D116 PolarHBondContact O-N 2.92Å; D116-N118 PolarHBondContact O-N 3.28Å
117A95.8Very high96.6Very high48 Ų4843.5 Ų43.540%0.39724%0.236SC..Hα-helixtrans-71.4-16.3177.400000114V3 V5 K113 F114 F115V3-A117 HydrophobicContact CG1-CB 4.44Å; V5-A117 HydrophobicContact CG2-CB 3.61Å; K113-A117 WeakPolarHBondContact O-CB 3.5Å; K113-A117 PolarHBondContact O-N 2.87Å; K113-A117 VanDerWaalsContact O-N 3.12Å; F114-A117 PolarHBondContact O-N 3.18Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.48Å
118N97.3Very high96.5Very high22 Ų2246.1 Ų46.112%0.11826%0.259CS..Hα-helixtrans-121.7-15.1-172-74.1-83.3000114.3V3 L51 F52 F114 F115 D116 D120V3-N118 PolarHBondContact N-OD1 3.44Å; V3-N118 PolarHBondContact O-ND2 3.02Å; L51-N118 HydrophobicContact CD1-CB 4.48Å; L51-N118 HydrophobicContact CD2-CB 4.04Å; F52-N118 HydrophobicContact CE1-CB 4.44Å; F52-N118 HydrophobicContact CE2-CB 4.49Å; F52-N118 HydrophobicContact CZ-CB 3.75Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.35Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.45Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.49Å; F114-N118 PolarHBondContact O-N 3.39Å; F114-N118 PolarHBondContact O-ND2 3.04Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3.35Å; D116-N118 PolarHBondContact O-N 3.28Å; N118-D120 PolarHBondContact O-N 3.49Å
119Y97.4Very high96.3Very high89 Ų8947.4 Ų47.435%0.34927%0.27SS..  trans-74.9127.6-179.3-171.2-120.1000110.5M50 L51 F115 K122M50-Y119 HydrophobicContact CG-CE2 4.1Å; M50-Y119 HydrophobicContact SD-CE2 4.14Å; L51-Y119 HydrophobicContact CD2-CD2 4.12Å; L51-Y119 HydrophobicContact CD2-CG 4.48Å; F115-Y119 HydrophobicContact CD1-CG 4.49Å; F115-Y119 AromaticContact CE1-CD1 3.95Å; F115-Y119 HydrophobicContact CE1-CD1 3.95Å; F115-Y119 HydrophobicContact CE1-CD2 4Å; F115-Y119 AromaticContact CE1-CG 3.62Å; F115-Y119 HydrophobicContact CE1-CG 3.62Å; F115-Y119 HydrophobicContact CE2-CD2 4.19Å; F115-Y119 HydrophobicContact CZ-CD1 4.21Å; F115-Y119 AromaticContact CZ-CD2 3.51Å; F115-Y119 HydrophobicContact CZ-CD2 3.51Å; F115-Y119 AromaticContact CZ-CE2 3.93Å; F115-Y119 HydrophobicContact CZ-CE2 3.93Å; F115-Y119 AromaticContact CZ-CG 3.65Å; F115-Y119 HydrophobicContact CZ-CG 3.65Å; F115-Y119 WeakPolarHBondContact O-CB 3.48Å; F115-Y119 PolarHBondContact O-N 3.32Å; Y119-K122 HydrophobicContact CE2-CG 4.35Å; Y119-K122 PolarHBondContact OH-O 2.81Å
120D95.3Very high96.3Very high108 Ų10847 Ų4758%0.57827%0.267SS*.  trans-100.28.4-177.459.40.5000112.9N118 K122N118-D120 PolarHBondContact O-N 3.49Å; D120-K122 VanDerWaalsContact C-N 3.34Å; D120-K122 VanDerWaalsContact CG-CE 3.44Å; D120-K122 WeakPolarHBondContact OD1-CB 3.32Å; D120-K122 WeakPolarHBondContact OD1-CE 3.27Å; D120-K122 VanDerWaalsContact OD1-CG 3.26Å; D120-K122 WeakPolarHBondContact OD1-CG 3.41Å; D120-K122 PolarHBondContact OD1-N 3.25Å; D120-K122 IonicContact OD1-NZ 2.67Å; D120-K122 PolarHBondContact OD1-NZ 3.07Å; D120-K122 WeakPolarHBondContact OD2-CE 3.35Å; D120-K122 IonicContact OD2-NZ 2.78Å; D120-K122 PolarHBondContact OD2-NZ 3.48Å
121G95.1Very high96Very high50 Ų5053.3 Ų53.352%0.51530%0.297SS..  trans809.5179.600000114.9
122K94.3Very high95.3Very high58 Ų5855.8 Ų55.825%0.25232%0.322SS..  trans-63.3140.8179.971178.471.972.50112.5L51 Y119 D120L51-K122 PolarHBondContact O-NZ 3.47Å; Y119-K122 HydrophobicContact CE2-CG 4.35Å; Y119-K122 PolarHBondContact OH-O 2.81Å; D120-K122 VanDerWaalsContact C-N 3.34Å; D120-K122 VanDerWaalsContact CG-CE 3.44Å; D120-K122 WeakPolarHBondContact OD1-CB 3.32Å; D120-K122 WeakPolarHBondContact OD1-CE 3.27Å; D120-K122 VanDerWaalsContact OD1-CG 3.26Å; D120-K122 WeakPolarHBondContact OD1-CG 3.41Å; D120-K122 PolarHBondContact OD1-N 3.25Å; D120-K122 IonicContact OD1-NZ 2.67Å; D120-K122 PolarHBondContact OD1-NZ 3.07Å; D120-K122 WeakPolarHBondContact OD2-CE 3.35Å; D120-K122 IonicContact OD2-NZ 2.78Å; D120-K122 PolarHBondContact OD2-NZ 3.48Å
123D95.9Very high94.6Very high166 Ų16659 Ų5989%0.88834%0.338SS*.  trans-64.2140.8171.1-66.3-42.5000110.9
124Y97.4Very high93.8Very high51 Ų5164.9 Ų64.920%0.237%0.366CS..  trans-142.6128.2177.6-179.6-99.2000110.2L28 Q46 D49 M50 P126 A129L28-Y124 HydrophobicContact CD2-CE1 4.32Å; Q46-Y124 HydrophobicContact CG-CE1 4.18Å; Q46-Y124 VanDerWaalsContact CG-OH 3.27Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.49Å; D49-Y124 PolarHBondContact OD2-OH 2.97Å; M50-Y124 HydrophobicContact CB-CD1 4.02Å; M50-Y124 HydrophobicContact CB-CD2 3.98Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 4.09Å; M50-Y124 HydrophobicContact CB-CG 3.94Å; M50-Y124 HydrophobicContact CE-CD1 3.21Å; M50-Y124 HydrophobicContact CE-CE1 3.77Å; M50-Y124 HydrophobicContact CE-CG 3.88Å; M50-Y124 HydrophobicContact CG-CD1 3.98Å; M50-Y124 HydrophobicContact CG-CD2 4.17Å; M50-Y124 HydrophobicContact CG-CE1 4.49Å; M50-Y124 HydrophobicContact CG-CG 3.74Å; M50-Y124 HydrophobicContact SD-CD1 4.42Å; Y124-P126 HydrophobicContact CD1-CB 4.04Å; Y124-P126 VanDerWaalsContact CE1-CA 3.5Å; Y124-P126 HydrophobicContact CE1-CB 3.75Å; Y124-P126 WeakPolarHBondContact O-CD 3.43Å; Y124-A129 HydrophobicContact CE1-CB 4.37Å; Y124-A129 HydrophobicContact CE2-CB 4.15Å; Y124-A129 VanDerWaalsContact OH-CB 3.25Å; Y124-A129 WeakPolarHBondContact OH-CB 3.15Å
125D97.1Very high92.7Very high88 Ų8866 Ų6647%0.47137%0.372SS..  trans-96.199.5172.9-176.7-17.9000109.8V127 A128 A129D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 3.45Å; D125-V127 PolarHBondContact OD1-N 3.48Å; D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.42Å; D125-A128 PolarHBondContact OD1-N 3.15Å; D125-A128 WeakPolarHBondContact OD2-CB 3.32Å; D125-A129 WeakPolarHBondContact O-CB 3.14Å; D125-A129 PolarHBondContact O-N 3.26Å
126P96.2Very high91.4Very high3 Ų366 Ų662%0.01937%0.374CS..Hα-helixtrans-69.8-25.9-177.430.1-36.9000112.9L28 Q29 Q46 Y124 R130L28-P126 HydrophobicContact CB-CB 4.46Å; L28-P126 HydrophobicContact CD2-CB 4.23Å; L28-P126 WeakPolarHBondContact O-CB 3.41Å; Q29-P126 HydrophobicContact CB-CG 4.07Å; Q29-P126 HydrophobicContact CG-CG 3.84Å; Q46-P126 PolarHBondContact NE2-O 3.15Å; Y124-P126 HydrophobicContact CD1-CB 4.04Å; Y124-P126 VanDerWaalsContact CE1-CA 3.5Å; Y124-P126 HydrophobicContact CE1-CB 3.75Å; Y124-P126 WeakPolarHBondContact O-CD 3.43Å; P126-R130 WeakPolarHBondContact O-CG 3.42Å; P126-R130 PolarHBondContact O-N 3.3Å; P126-R130 VanDerWaalsContact O-N 3.16Å
127V95.7Very high89.7Confident53 Ų5366.4 Ų66.432%0.32138%0.38SS..Hα-helixtrans-76.6-45-178.9177.40000109.7Q29 D125 A129 R130 Q131 G132Q29-V127 HydrophobicContact CB-CG2 4.06Å; D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 3.45Å; D125-V127 PolarHBondContact OD1-N 3.48Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.45Å; V127-R130 CarbonylContact O-C 3.52Å; V127-R130 PolarHBondContact O-N 2.78Å; V127-Q131 PolarHBondContact O-N 3.18Å; V127-Q131 VanDerWaalsContact O-N 3.15Å; V127-G132 PolarHBondContact O-N 2.84Å
128A95.1Very high87.4Confident59 Ų5965.2 Ų65.249%0.48837%0.37SS..Hα-helixtrans-61.8-41.1173.800000111.6D125 R130 Q131D125-A128 HydrophobicContact CB-CB 3.97Å; D125-A128 VanDerWaalsContact CG-CB 3.42Å; D125-A128 PolarHBondContact OD1-N 3.15Å; D125-A128 WeakPolarHBondContact OD2-CB 3.32Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.19Å; A128-Q131 WeakPolarHBondContact O-CA 3.31Å; A128-Q131 PolarHBondContact O-N 3.36Å
129A95.6Very high84.7Confident28 Ų2867.4 Ų67.423%0.23139%0.385CS..Hα-helixtrans-61.1-36176.800000112.7L58 Y124 D125 V127 Q131L58-A129 HydrophobicContact CD2-CB 3.92Å; L58-A129 WeakPolarHBondContact CD2-O 3.36Å; Y124-A129 HydrophobicContact CE1-CB 4.37Å; Y124-A129 HydrophobicContact CE2-CB 4.15Å; Y124-A129 VanDerWaalsContact OH-CB 3.25Å; Y124-A129 WeakPolarHBondContact OH-CB 3.15Å; D125-A129 WeakPolarHBondContact O-CB 3.14Å; D125-A129 PolarHBondContact O-N 3.26Å; V127-A129 VanDerWaalsContact C-N 3.32Å; V127-A129 PolarHBondContact O-N 3.45Å; A129-Q131 PolarHBondContact O-N 3.35Å
130R95.3Very high82Confident10 Ų1067.5 Ų67.54%0.03840%0.399CS..THydrogen-bonded Turntrans-78.2-2.6171.8-70.4-167.2-59.8-92.21.6114.3L28 Q29 Q46 F63 P126 V127 A128 G132 Q133L28-R130 PolarHBondContact O-NH1 3.19Å; L28-R130 PolarHBondContact O-NH2 2.73Å; Q29-R130 PolarHBondContact O-NH2 2.61Å; Q29-R130 VanDerWaalsContact O-NH2 3.1Å; Q46-R130 VanDerWaalsContact CD-NH1 3.34Å; F63-R130 VanDerWaalsContact CD1-CD 3.49Å; F63-R130 HydrophobicContact CD1-CG 3.85Å; F63-R130 HydrophobicContact CD2-CG 4.22Å; F63-R130 HydrophobicContact CE1-CG 3.63Å; F63-R130 HydrophobicContact CE2-CG 4.02Å; F63-R130 HydrophobicContact CG-CG 4.15Å; F63-R130 HydrophobicContact CZ-CG 3.72Å; P126-R130 WeakPolarHBondContact O-CG 3.42Å; P126-R130 PolarHBondContact O-N 3.3Å; P126-R130 VanDerWaalsContact O-N 3.16Å; V127-R130 CarbonylContact O-C 3.52Å; V127-R130 PolarHBondContact O-N 2.78Å; A128-R130 VanDerWaalsContact C-N 3.28Å; A128-R130 PolarHBondContact O-N 3.19Å; R130-G132 PolarHBondContact O-N 2.98Å; R130-Q133 HydrophobicContact CB-CB 4.35Å; R130-Q133 WeakPolarHBondContact CB-O 3.36Å; R130-Q133 VanDerWaalsContact CD-O 3.31Å; R130-Q133 WeakPolarHBondContact CD-O 3.43Å; R130-Q133 PolarHBondContact NE-O 3.31Å; R130-Q133 WeakPolarHBondContact O-CB 3.37Å; R130-Q133 WeakPolarHBondContact O-CG 3.48Å; R130-Q133 PolarHBondContact O-N 3.08Å; R130-Q133 VanDerWaalsContact O-N 3.15Å
131Q91.3Very high79.5Confident141 Ų14169.4 Ų69.466%0.65941%0.408SS*.THydrogen-bonded Turntrans55.638.1-172.5-56.817036.600112.2V127 A128 A129 Q133V127-Q131 PolarHBondContact O-N 3.18Å; V127-Q131 VanDerWaalsContact O-N 3.15Å; A128-Q131 WeakPolarHBondContact O-CA 3.31Å; A128-Q131 PolarHBondContact O-N 3.36Å; A129-Q131 PolarHBondContact O-N 3.35Å; Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.39Å
132G83.9Confident76.9Confident52 Ų5272.8 Ų72.854%0.53642%0.419SS..THydrogen-bonded Turntrans76.13.8-178.900000115.1V127 R130 E134V127-G132 PolarHBondContact O-N 2.84Å; R130-G132 PolarHBondContact O-N 2.98Å; G132-E134 PolarHBondContact O-N 3.28Å
133Q82.6Confident74.6Confident94 Ų9474.4 Ų74.444%0.43944%0.443SS..PPolyproline II helixtrans-68.8129.8172.3-63.9-179.216.400110.1R130 Q131R130-Q133 HydrophobicContact CB-CB 4.35Å; R130-Q133 WeakPolarHBondContact CB-O 3.36Å; R130-Q133 VanDerWaalsContact CD-O 3.31Å; R130-Q133 WeakPolarHBondContact CD-O 3.43Å; R130-Q133 PolarHBondContact NE-O 3.31Å; R130-Q133 WeakPolarHBondContact O-CB 3.37Å; R130-Q133 WeakPolarHBondContact O-CG 3.48Å; R130-Q133 PolarHBondContact O-N 3.08Å; R130-Q133 VanDerWaalsContact O-N 3.15Å; Q131-Q133 VanDerWaalsContact C-N 3.25Å; Q131-Q133 PolarHBondContact O-N 3.39Å
134E78.1Confident72.4Confident153 Ų15372.6 Ų72.672%0.71544%0.44SS*.PPolyproline II helixtrans-68.5168.4163.1-65.6-168.3157.500109.7Q64 G132Q64-E134 PolarHBondContact NE2-O 3.02Å; G132-E134 PolarHBondContact O-N 3.28Å
135T74.4Confident69.6Low22 Ų2274.4 Ų74.414%0.13547%0.465CS..PPolyproline II helixtrans-91.6142.7164.553.10000110.3L30 F63 Q64 V137L30-T135 HydrophobicContact CD1-CG2 4.26Å; L30-T135 HydrophobicContact CD2-CG2 3.42Å; L30-T135 VanDerWaalsContact CD2-CG2 3.42Å; L30-T135 WeakPolarHBondContact CD2-OG1 3.31Å; L30-T135 HydrophobicContact CG-CG2 4.48Å; F63-T135 HydrophobicContact CB-CG2 4.43Å; F63-T135 HydrophobicContact CD1-CG2 4.14Å; F63-T135 CarbonylContact O-C 3.57Å; F63-T135 VanDerWaalsContact O-CA 3.28Å; F63-T135 WeakPolarHBondContact O-CA 3.4Å; Q64-T135 PolarHBondContact NE2-O 2.85Å; T135-V137 PolarHBondContact O-N 3.46Å
136A70.3Confident67.1Low10 Ų1077.3 Ų77.38%0.08348%0.48CS..PPolyproline II helixtrans-65.3125.6172.600000109.2F63 Q64 A65 K66 A138F63-A136 PolarHBondContact O-N 3.27Å; Q64-A136 HydrophobicContact CB-CB 4.35Å; A65-A136 WeakPolarHBondContact O-CB 3.24Å; K66-A136 HydrophobicContact CG-CB 4.1Å; A136-A138 PolarHBondContact O-N 3.37Å; A136-A138 VanDerWaalsContact O-N 3.12Å
137V59.8Low64.1Low90 Ų9085.2 Ų85.255%0.54552%0.522SS..  trans-67.6108.3160.9-163.80000105.4T135 P139T135-V137 PolarHBondContact O-N 3.46Å; V137-P139 VanDerWaalsContact O-N 3.17Å
138A47.6Very low61.9Low22 Ų2291.1 Ų91.118%0.18254%0.544CS..PPolyproline II helixtrans-54124.6-178.100000109Q37 A136 S140Q37-A138 HydrophobicContact CG-CB 4.41Å; A136-A138 PolarHBondContact O-N 3.37Å; A136-A138 VanDerWaalsContact O-N 3.12Å; A138-S140 PolarHBondContact O-N 3.11Å
139P40.9Very low59.1Low69 Ų6994.3 Ų94.345%0.44856%0.56SS.*PPolyproline II helixtrans-64.8133.7176.225-30.5000108.6V137 L141V137-P139 VanDerWaalsContact O-N 3.17Å; P139-L141 PolarHBondContact O-N 2.99Å; P139-L141 VanDerWaalsContact O-N 3.12Å
140S39.3Very low56.3Low90 Ų90103 Ų10363%0.62959%0.592SS**PPolyproline II helixtrans-47.9120.1170.6-170.90000109A138 V142A138-S140 PolarHBondContact O-N 3.11Å; S140-V142 PolarHBondContact O-N 2.94Å
141L44Very low53.8Low148 Ų148111.8 Ų111.878%0.77563%0.631SS**  trans-74.172.9177-68.3176000109.5P139P139-L141 PolarHBondContact O-N 2.99Å; P139-L141 VanDerWaalsContact O-N 3.12Å
142V41.1Very low51.5Low122 Ų122111.2 Ų111.274%0.73964%0.639SS**  trans-132.7100.6163.3-70.60000109.4S140S140-V142 PolarHBondContact O-N 2.94Å
143A45.8Very low49.1Very low92 Ų92117.2 Ų117.276%0.7666%0.658SS**  trans-157.5146.615100000109.1
144P48.6Very low46.9Very low127 Ų127118.3 Ų118.383%0.82568%0.676SS**  -129.6138.8108.716.91.6000114.1
145A39.9Very low44.9Very low89 Ų89116.2 Ų116.274%0.73668%0.678SS**  trans74.6120.5134.500000120.8
146L43.7Very low43.1Very low150 Ų150121 Ų12179%0.78571%0.712SS**  trans-34.9129.6155.9-79.974.7000113.9
147N34.2Very low41.4Very low168 Ų168125.9 Ų125.990%0.89875%0.746SS**  trans-11095.4148.2-98-6.6000109.5
148K47.8Very low40.2Very low178 Ų178126.5 Ų126.577%0.77476%0.761SS**PPolyproline II helixtrans-89.8121.6159.2-111.3177.3-178.6174.20107.4K150K148-K150 PolarHBondContact O-N 3.47Å
149P37.8Very low39.7Very low126 Ų126130 Ų13082%0.81879%0.789SS**PPolyproline II helixtrans-71.6123.9174.924.8-28.9000110.7
150K36.3Very low40.3Very low209 Ų209132.1 Ų132.191%0.90980%0.803SS**PPolyproline II helixtrans-72.1127.6171.2-70.8176.6177.9173.10109.4K148K148-K150 PolarHBondContact O-N 3.47Å
151K43.3Very low40.1Very low196 Ų196137.3 Ų137.385%0.85282%0.818SS**PPolyproline II helixtrans-85.3142.5161.7-73.6-175.9178.2-178.20109.4
152P41.3Very low39.7Very low128 Ų128141.5 Ų141.583%0.83182%0.823SS**PPolyproline II helixtrans-79.8142.1177.831.5-31.4000111.5
153L33.6Very low40Very low179 Ų179140.3 Ų140.394%0.93782%0.818SS**PPolyproline II helixtrans-73134168.1-81.885000109.7
154S36.6Very low39.4Very low116 Ų116144.1 Ų144.181%0.81182%0.822SS**  trans-121.9127.2157.1174.30000108.2
155S37.3Very low38.7Very low109 Ų109143.1 Ų143.176%0.76282%0.818SS**  trans-82.2131.7174.952.20000111
156S36.2Very low38.4Very low122 Ų122145 Ų14585%0.85382%0.821SS**  trans-178.6155.8138.127.40000112.1
157S35.2Very low38Very low113 Ų113145.1 Ų145.179%0.7982%0.817SS**  trans-88.1167.8-161.4450000116.4
158A33.9Very low38.1Very low104 Ų104147 Ų14786%0.8681%0.811SS**  trans91.7140.6149.400000119.5
159A36.1Very low37.3Very low94 Ų94145 Ų14578%0.77781%0.814SS**  trans-93.1-154.5-167.600000112.8
160P55.2Low37.2Very low114 Ų114143.7 Ų143.774%0.7481%0.814SS**  -122.1166.3-83.335.8-20.6000112.7
161Q33.3Very low37.1Very low200 Ų200138.5 Ų138.594%0.93581%0.811SS**  trans176.2139.7139.4-100.1171.5-7.400115.3
162R36.3Very low36.9Very low235 Ų235134 Ų13489%0.88781%0.809SS**  trans-78.2172.2157.9-118.6-176.2172.4-167.6-1.4108.7
163P46.9Very low37.4Very low97 Ų97133.6 Ų133.663%0.6381%0.807SS**  cis-151.7177.429.536.7-12000119.2
164M34.4Very low37.5Very low173 Ų173135 Ų13585%0.85281%0.805SS**  trans75.2124.8140.4-82.1-178-68.900125.1
165S33.4Very low37.4Very low105 Ų105134.3 Ų134.373%0.73481%0.807SS**  trans75121.1133-156.20000121.8
166T34.5Very low37.5Very low130 Ų130132.5 Ų132.580%0.79881%0.805SS**  173.2108.2113.932.10000113.6
167Q35Very low37.7Very low151 Ų151133 Ų13371%0.70681%0.806SS**  24.5134.3128.1-158.3166.941.900124.4
168R36.1Very low37.7Very low208 Ų208130.9 Ų130.979%0.78580%0.802SS**  trans74.6145.8149.3-80.4168.2-151.5-108.44.7117.5
169T31.4Very low38.2Very low135 Ų135132.4 Ų132.483%0.82880%0.8SS**  cis-159.2165.919.7200000111.7
170A35.1Very low38.4Very low100 Ų100134.3 Ų134.383%0.82680%0.802SS**  trans-58.9157.9-176.600000118.9
171A34.7Very low38Very low100 Ų100139.8 Ų139.883%0.82681%0.807SS**  -173.7116.612500000114
172A39.5Very low38.4Very low100 Ų100139.8 Ų139.883%0.82681%0.805SS**  trans49146.114500000124.7
173P51.7Low38.7Very low120 Ų120135.9 Ų135.978%0.77980%0.801SS**  trans-108.5160.6-167.740-28.2000113.8
174K34.5Very low38.7Very low209 Ų209137.4 Ų137.491%0.90981%0.811SS**  trans-155.7134.6150.1-99.7-164.2-177.1175.90114.2
175A34Very low39.5Very low101 Ų101132.7 Ų132.784%0.83581%0.806SS**  trans74.5125149.300000118.4
176G40.4Very low40.5Very low71 Ų71135 Ų13573%0.73282%0.816SS**  trans-86178-17100000114.7
177P39.3Very low41.4Very low133 Ų133131 Ų13186%0.86480%0.801SS**  trans-88.2118.4-179.416.5-0.9000110.8
178G35.6Very low42.5Very low69 Ų69130.3 Ų130.371%0.71180%0.802SS**  trans-67.7128.1163.500000110.3V180G178-V180 PolarHBondContact O-N 2.92Å
179V45.3Very low43.5Very low135 Ų135122.7 Ų122.782%0.81879%0.788SS**  trans-64.4113.5173.7172.40000109.4
180V39.6Very low45.3Very low134 Ų134122.6 Ų122.681%0.81278%0.783SS**  trans-88.7103.4164.5179.70000107.7G178 K182G178-V180 PolarHBondContact O-N 2.92Å; V180-K182 PolarHBondContact O-N 3.13Å
181R47.1Very low46.9Very low229 Ų229123.3 Ų123.386%0.86477%0.773SS**  trans-60.6121.6163.3-90.8175.6165.1176.2-5.3108.5
182K41.8Very low49.1Very low201 Ų201124.4 Ų124.487%0.87476%0.761SS**  trans-93.6112.4170.3-142.5168.6-176.2179.50107.4V180V180-K182 PolarHBondContact O-N 3.13Å
183N42.5Very low51.2Low153 Ų153122.3 Ų122.382%0.81874%0.744SS**  trans-64.2135.6166.7-9331.1000109.3
184P47.4Very low52.7Low129 Ų129119.6 Ų119.684%0.83873%0.731SS**  trans-92.8121.5164.833.1-23.8000108.7
185G50.4Low55Low73 Ų73115.9 Ų115.975%0.75372%0.717SS**  trans163.957.2174.700000115
186V54.9Low57.4Low153 Ų153115.5 Ų115.593%0.92770%0.7SS**  trans-153.8110.6153.1-167.20000106.2
187G53.8Low59.7Low48 Ų48118.3 Ų118.350%0.49570%0.696SS.*  trans-174.624.8-178.900000115.5
188N56.8Low62.1Low136 Ų136117.7 Ų117.773%0.72768%0.682SS**SBendtrans-125.7-16.4178.3-89.676.5000114E192N188-E192 PolarHBondContact O-N 2.87Å
189G57.5Low64.5Low48 Ų48120.2 Ų120.250%0.49568%0.675SS.*Hα-helixtrans-78.5-29.5-176.700000114.2A193G189-A193 VanDerWaalsContact O-CB 3.31Å; G189-A193 WeakPolarHBondContact O-CB 3.25Å; G189-A193 PolarHBondContact O-N 3.49Å
190D68.7Low66.7Low133 Ų133117 Ų11771%0.71166%0.656SS**Hα-helixtrans-72.8-33.6-179.5-63.7-37.4000111.7A194D190-A194 WeakPolarHBondContact O-CB 3.44Å; D190-A194 PolarHBondContact O-N 2.88Å; D190-A194 VanDerWaalsContact O-N 3.11Å
191D70.1Confident69.1Low115 Ų115114.5 Ų114.562%0.61564%0.637SS**Hα-helixtrans-71.4-41.4175.8-68.9-41.9000111.4A194 E195D191-A194 PolarHBondContact O-N 2.94Å; D191-E195 PolarHBondContact O-N 3.44Å
192E81.1Confident71.1Confident123 Ų123107.4 Ų107.458%0.57562%0.619SS**Hα-helixtrans-65.9-40.8175.7-172.7176.7176.500111.7N188 A194 E195 L196N188-E192 PolarHBondContact O-N 2.87Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.91Å; E192-E195 PolarHBondContact O-N 3.01Å; E192-L196 HydrophobicContact CG-CD1 4.3Å; E192-L196 WeakPolarHBondContact O-CB 3.38Å; E192-L196 WeakPolarHBondContact O-CG 3.45Å; E192-L196 PolarHBondContact O-N 3.07Å
193A81.8Confident73.5Confident56 Ų56102.7 Ų102.746%0.46360%0.603SS.*Hα-helixtrans-63.5-39.4175.400000112.2G189 M197G189-A193 VanDerWaalsContact O-CB 3.31Å; G189-A193 WeakPolarHBondContact O-CB 3.25Å; G189-A193 PolarHBondContact O-N 3.49Å; A193-M197 WeakPolarHBondContact O-CB 3.35Å; A193-M197 PolarHBondContact O-N 3.24Å
194A83.1Confident75.8Confident62 Ų62102 Ų10251%0.51259%0.593SS.*Hα-helixtrans-66.9-39.6176.100000112D190 D191 E192 M197 Q198D190-A194 WeakPolarHBondContact O-CB 3.44Å; D190-A194 PolarHBondContact O-N 2.88Å; D190-A194 VanDerWaalsContact O-N 3.11Å; D191-A194 PolarHBondContact O-N 2.94Å; E192-A194 VanDerWaalsContact C-N 3.34Å; E192-A194 PolarHBondContact O-N 2.91Å; A194-M197 PolarHBondContact O-N 2.94Å; A194-Q198 PolarHBondContact O-N 3.03Å
195E82.8Confident77.8Confident132 Ų132100.6 Ų100.662%0.61758%0.578SS**Hα-helixtrans-66.6-45.6177.6-173.2170.1-16600112D191 E192 M197 Q198 Q199D191-E195 PolarHBondContact O-N 3.44Å; E192-E195 PolarHBondContact O-N 3.01Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 3.43Å; E195-Q198 WeakPolarHBondContact O-CB 3.36Å; E195-Q198 PolarHBondContact O-N 3.4Å; E195-Q198 VanDerWaalsContact O-N 3.15Å; E195-Q199 PolarHBondContact O-N 2.85Å
196L85.9Confident79.7Confident93 Ų93100.3 Ų100.349%0.48756%0.562SS.*Hα-helixtrans-60.1-41.1174.6-73.9170.4000111.5E192 Q198 Q199 V200E192-L196 HydrophobicContact CG-CD1 4.3Å; E192-L196 WeakPolarHBondContact O-CB 3.38Å; E192-L196 WeakPolarHBondContact O-CG 3.45Å; E192-L196 PolarHBondContact O-N 3.07Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; L196-Q198 PolarHBondContact O-N 3.42Å; L196-Q199 PolarHBondContact O-N 2.79Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.22Å
197M88.8Confident81.6Confident130 Ų13096.5 Ų96.564%0.6454%0.538SS*.Hα-helixtrans-64.9-36.2177.1-166.6163.7-172.200112.1A193 A194 E195 N201A193-M197 WeakPolarHBondContact O-CB 3.35Å; A193-M197 PolarHBondContact O-N 3.24Å; A194-M197 PolarHBondContact O-N 2.94Å; E195-M197 VanDerWaalsContact C-N 3.3Å; E195-M197 PolarHBondContact O-N 3.43Å; M197-N201 VanDerWaalsContact O-CG 3.3Å; M197-N201 PolarHBondContact O-N 3.48Å; M197-N201 VanDerWaalsContact O-N 3.14Å; M197-N201 PolarHBondContact O-ND2 3.15Å
198Q88.9Confident83.5Confident120 Ų12098.5 Ų98.556%0.56154%0.535SS*.Hα-helixtrans-66.6-42.5173.3-175175.5-11.500111.7A194 E195 L196 N201 V202A194-Q198 PolarHBondContact O-N 3.03Å; E195-Q198 WeakPolarHBondContact O-CB 3.36Å; E195-Q198 PolarHBondContact O-N 3.4Å; E195-Q198 VanDerWaalsContact O-N 3.15Å; L196-Q198 VanDerWaalsContact C-N 3.31Å; L196-Q198 PolarHBondContact O-N 3.42Å; Q198-N201 PolarHBondContact O-N 3.04Å; Q198-V202 WeakPolarHBondContact O-CG2 3.42Å; Q198-V202 PolarHBondContact O-N 2.94Å
199Q85.9Confident85Confident122 Ų12296.3 Ų96.357%0.5752%0.523SS*.Hα-helixtrans-63.3-42177.8-169.4174.547.600111.8E195 L196 N201 V202 L203E195-Q199 PolarHBondContact O-N 2.85Å; L196-Q199 PolarHBondContact O-N 2.79Å; Q199-N201 VanDerWaalsContact C-N 3.3Å; Q199-N201 PolarHBondContact O-N 2.91Å; Q199-V202 PolarHBondContact O-N 3.45Å; Q199-L203 HydrophobicContact CG-CD1 4.26Å; Q199-L203 WeakPolarHBondContact O-CB 3.43Å; Q199-L203 WeakPolarHBondContact O-CG 3.49Å; Q199-L203 PolarHBondContact O-N 3.42Å
200V92Very high86.6Confident68 Ų6898.7 Ų98.741%0.41252%0.524SS..Hα-helixtrans-59-42.1174168.40000111.1L196 L203 K204L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 3.22Å; V200-L203 PolarHBondContact O-N 3.14Å; V200-K204 HydrophobicContact CG1-CD 4.18Å; V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 VanDerWaalsContact O-CG 3.28Å; V200-K204 WeakPolarHBondContact O-CG 3.31Å; V200-K204 PolarHBondContact O-N 3.23Å
201N90Very high87.9Confident81 Ų8196.3 Ų96.343%0.43351%0.509SS..Hα-helixtrans-67-40178.4-71.8-25.2000112.4M197 Q198 Q199 K204 L205M197-N201 VanDerWaalsContact O-CG 3.3Å; M197-N201 PolarHBondContact O-N 3.48Å; M197-N201 VanDerWaalsContact O-N 3.14Å; M197-N201 PolarHBondContact O-ND2 3.15Å; Q198-N201 PolarHBondContact O-N 3.04Å; Q199-N201 VanDerWaalsContact C-N 3.3Å; Q199-N201 PolarHBondContact O-N 2.91Å; N201-K204 PolarHBondContact O-N 3.33Å; N201-L205 WeakPolarHBondContact O-CG 3.26Å; N201-L205 PolarHBondContact O-N 3.41Å; N201-L205 VanDerWaalsContact O-N 3.1Å
202V89.1Confident88.9Confident79 Ų7995.9 Ų95.948%0.47950%0.501SS..Hα-helixtrans-64.7-44.2175.8171.80000111.1Q198 Q199 K204 L205 T206Q198-V202 WeakPolarHBondContact O-CG2 3.42Å; Q198-V202 PolarHBondContact O-N 2.94Å; Q199-V202 PolarHBondContact O-N 3.45Å; V202-K204 VanDerWaalsContact C-N 3.34Å; V202-K204 PolarHBondContact O-N 3.26Å; V202-L205 PolarHBondContact O-N 3.1Å; V202-T206 WeakPolarHBondContact O-CB 3.42Å; V202-T206 PolarHBondContact O-N 2.98Å; V202-T206 PolarHBondContact O-OG1 2.92Å
203L91.1Very high89.6Confident102 Ų10295 Ų9553%0.53450%0.497SS..Hα-helixtrans-61.8-42.2176.8-75.9169.7000111.4Q199 V200 L205 T206 V207Q199-L203 HydrophobicContact CG-CD1 4.26Å; Q199-L203 WeakPolarHBondContact O-CB 3.43Å; Q199-L203 WeakPolarHBondContact O-CG 3.49Å; Q199-L203 PolarHBondContact O-N 3.42Å; V200-L203 PolarHBondContact O-N 3.14Å; L203-L205 PolarHBondContact O-N 3.25Å; L203-T206 PolarHBondContact O-N 3.35Å; L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.23Å
204K91.5Very high90.3Very high138 Ų13899 Ų9960%0.650%0.5SS*.Hα-helixtrans-58.5-47175.6-77.9176.4177.7-176.30112.5V200 N201 V202 T206 V207 E208V200-K204 HydrophobicContact CG1-CD 4.18Å; V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 VanDerWaalsContact O-CG 3.28Å; V200-K204 WeakPolarHBondContact O-CG 3.31Å; V200-K204 PolarHBondContact O-N 3.23Å; N201-K204 PolarHBondContact O-N 3.33Å; V202-K204 VanDerWaalsContact C-N 3.34Å; V202-K204 PolarHBondContact O-N 3.26Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.84Å; K204-V207 PolarHBondContact O-N 2.92Å; K204-E208 WeakPolarHBondContact O-CB 3.47Å; K204-E208 PolarHBondContact O-N 3.5Å
205L89.4Confident90.7Very high101 Ų101100.2 Ų100.253%0.52950%0.498SS..Hα-helixtrans-64.8-39.2177.3-68.6172.4000111.8N201 V202 L203 E208 D209N201-L205 WeakPolarHBondContact O-CG 3.26Å; N201-L205 PolarHBondContact O-N 3.41Å; N201-L205 VanDerWaalsContact O-N 3.1Å; V202-L205 PolarHBondContact O-N 3.1Å; L203-L205 PolarHBondContact O-N 3.25Å; L205-E208 PolarHBondContact O-N 3.38Å; L205-D209 PolarHBondContact O-N 3.32Å
206T90.7Very high91.3Very high67 Ų6799.6 Ų99.641%0.41149%0.494SS..Hα-helixtrans-64.1-43.3177-53.40000111.1V202 L203 K204 D209 L210V202-T206 WeakPolarHBondContact O-CB 3.42Å; V202-T206 PolarHBondContact O-N 2.98Å; V202-T206 PolarHBondContact O-OG1 2.92Å; L203-T206 PolarHBondContact O-N 3.35Å; K204-T206 VanDerWaalsContact C-N 3.33Å; K204-T206 PolarHBondContact O-N 2.84Å; T206-D209 PolarHBondContact O-N 2.95Å; T206-L210 HydrophobicContact CG2-CD1 4.13Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.48Å; T206-L210 VanDerWaalsContact O-CG 3.26Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.37Å
207V94.6Very high91.8Very high73 Ų73101.5 Ų101.544%0.44250%0.495SS..Hα-helixtrans-62.3-45.2175.1169.40000110.3L203 K204 D209 L210 E211L203-V207 WeakPolarHBondContact O-CG2 3.32Å; L203-V207 PolarHBondContact O-N 3.23Å; K204-V207 PolarHBondContact O-N 2.92Å; V207-D209 VanDerWaalsContact C-N 3.3Å; V207-D209 PolarHBondContact O-N 3.47Å; V207-L210 PolarHBondContact O-N 3.37Å; V207-E211 HydrophobicContact CG1-CG 4.19Å; V207-E211 WeakPolarHBondContact O-CB 3.34Å; V207-E211 VanDerWaalsContact O-CG 3.26Å; V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 3.26Å
208E94.1Very high92.1Very high89 Ų89102 Ų10242%0.41649%0.494SS..Hα-helixtrans-59.2-41.3178.1-167.9-166.3145.300112K204 L205 E211 K212K204-E208 WeakPolarHBondContact O-CB 3.47Å; K204-E208 PolarHBondContact O-N 3.5Å; L205-E208 PolarHBondContact O-N 3.38Å; E208-E211 PolarHBondContact O-N 3.08Å; E208-K212 WeakPolarHBondContact O-CG 3.26Å; E208-K212 PolarHBondContact O-N 3.46Å; E208-K212 VanDerWaalsContact O-N 3.08Å; E208-K212 WeakPolarHBondContact OE1-CE 3.43Å; E208-K212 IonicContact OE1-NZ 2.64Å; E208-K212 PolarHBondContact OE1-NZ 3.46Å
209D87.3Confident92.4Very high90 Ų9097.7 Ų97.748%0.48148%0.482SS..Hα-helixtrans-70.8-39.9177.5-72.2-18.1000111.8L205 T206 V207 E211 K212 E213L205-D209 PolarHBondContact O-N 3.32Å; T206-D209 PolarHBondContact O-N 2.95Å; V207-D209 VanDerWaalsContact C-N 3.3Å; V207-D209 PolarHBondContact O-N 3.47Å; D209-E211 VanDerWaalsContact C-N 3.32Å; D209-E211 PolarHBondContact O-N 2.98Å; D209-K212 WeakPolarHBondContact O-CB 3.31Å; D209-K212 PolarHBondContact O-N 2.76Å; D209-K212 IonicContact OD1-NZ 2.76Å; D209-K212 PolarHBondContact OD1-NZ 3.48Å; D209-E213 WeakPolarHBondContact O-CG 3.48Å; D209-E213 PolarHBondContact O-N 2.79Å
210L91.8Very high92.9Very high98 Ų9896.8 Ų96.851%0.51348%0.476SS..Hα-helixtrans-63.8-36.1173.2-72.8173.1000112.3T206 V207 E213 R214T206-L210 HydrophobicContact CG2-CD1 4.13Å; T206-L210 HydrophobicContact CG2-CG 4.49Å; T206-L210 WeakPolarHBondContact O-CB 3.48Å; T206-L210 VanDerWaalsContact O-CG 3.26Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.37Å; V207-L210 PolarHBondContact O-N 3.37Å; L210-E213 PolarHBondContact O-N 3.21Å; L210-R214 VanDerWaalsContact O-CB 3.31Å; L210-R214 WeakPolarHBondContact O-CB 3.5Å; L210-R214 PolarHBondContact O-N 3.23Å
211E95.4Very high93.1Very high84 Ų8497.8 Ų97.839%0.39348%0.479SS..Hα-helixtrans-65.3-41.8174.5-75.2178.9146.800111.2V207 E208 D209 E213 R214 D215V207-E211 HydrophobicContact CG1-CG 4.19Å; V207-E211 WeakPolarHBondContact O-CB 3.34Å; V207-E211 VanDerWaalsContact O-CG 3.26Å; V207-E211 WeakPolarHBondContact O-CG 3.36Å; V207-E211 PolarHBondContact O-N 3.26Å; E208-E211 PolarHBondContact O-N 3.08Å; D209-E211 VanDerWaalsContact C-N 3.32Å; D209-E211 PolarHBondContact O-N 2.98Å; E211-E213 VanDerWaalsContact C-N 3.34Å; E211-E213 PolarHBondContact O-N 2.93Å; E211-R214 PolarHBondContact O-N 2.83Å; E211-D215 WeakPolarHBondContact O-CB 3.25Å; E211-D215 PolarHBondContact O-N 3.36Å
212K92.6Very high93.3Very high106 Ų10698.4 Ų98.446%0.46148%0.475SS..Hα-helixtrans-61.8-42.4173.3-70166.8-166.6151.70111.8E208 D209 F216E208-K212 WeakPolarHBondContact O-CG 3.26Å; E208-K212 PolarHBondContact O-N 3.46Å; E208-K212 VanDerWaalsContact O-N 3.08Å; E208-K212 WeakPolarHBondContact OE1-CE 3.43Å; E208-K212 IonicContact OE1-NZ 2.64Å; E208-K212 PolarHBondContact OE1-NZ 3.46Å; D209-K212 WeakPolarHBondContact O-CB 3.31Å; D209-K212 PolarHBondContact O-N 2.76Å; D209-K212 IonicContact OD1-NZ 2.76Å; D209-K212 PolarHBondContact OD1-NZ 3.48Å; K212-F216 VanDerWaalsContact O-CB 3.25Å; K212-F216 WeakPolarHBondContact O-CB 3.46Å; K212-F216 PolarHBondContact O-N 3.24Å
213E95.2Very high93.7Very high105 Ų10599.3 Ų99.349%0.49148%0.477SS..Hα-helixtrans-65.2-45.8176.2-72.2-171.315400111.4D209 L210 E211 D215 F216 Y217D209-E213 WeakPolarHBondContact O-CG 3.48Å; D209-E213 PolarHBondContact O-N 2.79Å; L210-E213 PolarHBondContact O-N 3.21Å; E211-E213 VanDerWaalsContact C-N 3.34Å; E211-E213 PolarHBondContact O-N 2.93Å; E213-D215 VanDerWaalsContact C-N 3.35Å; E213-D215 PolarHBondContact O-N 3.33Å; E213-F216 WeakPolarHBondContact O-CB 2.97Å; E213-F216 PolarHBondContact O-N 2.95Å; E213-Y217 HydrophobicContact CB-CD2 4.46Å; E213-Y217 HydrophobicContact CB-CE2 4.15Å; E213-Y217 WeakPolarHBondContact O-CD2 3.39Å; E213-Y217 PolarHBondContact O-N 2.94Å
214R96.2Very high93.9Very high138 Ų13897.8 Ų97.852%0.52147%0.469SS..Hα-helixtrans-54.2-51174179.5-159.366.7-154.6-6.4110.9L210 E211 F216 Y217 F218L210-R214 VanDerWaalsContact O-CB 3.31Å; L210-R214 WeakPolarHBondContact O-CB 3.5Å; L210-R214 PolarHBondContact O-N 3.23Å; E211-R214 PolarHBondContact O-N 2.83Å; R214-F216 VanDerWaalsContact C-N 3.31Å; R214-F216 PolarHBondContact O-N 3.44Å; R214-Y217 PolarHBondContact O-N 2.87Å; R214-F218 VanDerWaalsContact O-CB 3.22Å; R214-F218 WeakPolarHBondContact O-CB 3.47Å; R214-F218 PolarHBondContact O-N 2.81Å
215D92.5Very high93.9Very high88 Ų8893 Ų9347%0.47145%0.448SS..Hα-helixtrans-66.3-36.1-177.7-67.2-6.5000111.4E211 E213 G219E211-D215 WeakPolarHBondContact O-CB 3.25Å; E211-D215 PolarHBondContact O-N 3.36Å; E213-D215 VanDerWaalsContact C-N 3.35Å; E213-D215 PolarHBondContact O-N 3.33Å; D215-G219 PolarHBondContact O-N 3.21Å
216F94.6Very high94.2Very high119 Ų11991.1 Ų91.152%0.52244%0.439SS..Hα-helixtrans-63.3-46.8174.7176-99.3000112.4K212 E213 R214 K220K212-F216 VanDerWaalsContact O-CB 3.25Å; K212-F216 WeakPolarHBondContact O-CB 3.46Å; K212-F216 PolarHBondContact O-N 3.24Å; E213-F216 WeakPolarHBondContact O-CB 2.97Å; E213-F216 PolarHBondContact O-N 2.95Å; R214-F216 VanDerWaalsContact C-N 3.31Å; R214-F216 PolarHBondContact O-N 3.44Å; F216-K220 HydrophobicContact CD1-CD 4.45Å; F216-K220 HydrophobicContact CE1-CD 4.04Å; F216-K220 HydrophobicContact CZ-CD 4.3Å; F216-K220 WeakPolarHBondContact O-CG 3.22Å; F216-K220 PolarHBondContact O-N 3.43Å
217Y96.3Very high94.3Very high134 Ų13492.4 Ų92.453%0.52544%0.442SS..Hα-helixtrans-70.7-41.9177.8-66.4-60.1000111.8E213 R214 G219 K220 L221E213-Y217 HydrophobicContact CB-CD2 4.46Å; E213-Y217 HydrophobicContact CB-CE2 4.15Å; E213-Y217 WeakPolarHBondContact O-CD2 3.39Å; E213-Y217 PolarHBondContact O-N 2.94Å; R214-Y217 PolarHBondContact O-N 2.87Å; Y217-G219 PolarHBondContact O-N 2.95Å; Y217-K220 WeakPolarHBondContact O-CB 3.28Å; Y217-K220 PolarHBondContact O-N 2.97Å; Y217-L221 WeakPolarHBondContact O-CG 3.49Å; Y217-L221 PolarHBondContact O-N 3.18Å
218F94.9Very high94.2Very high140 Ų14089.3 Ų89.361%0.61442%0.424SS*.Hα-helixtrans-57.7-47.1174.8179.8-98000111.5R214 K220 L221 R222R214-F218 VanDerWaalsContact O-CB 3.22Å; R214-F218 WeakPolarHBondContact O-CB 3.47Å; R214-F218 PolarHBondContact O-N 2.81Å; F218-K220 VanDerWaalsContact C-N 3.3Å; F218-K220 PolarHBondContact O-N 3.17Å; F218-L221 PolarHBondContact O-N 3.33Å; F218-L221 VanDerWaalsContact O-N 3.17Å; F218-R222 WeakPolarHBondContact O-CB 3.45Å; F218-R222 PolarHBondContact O-N 3.43Å
219G94.5Very high93.9Very high29 Ų2989.3 Ų89.330%0.29942%0.424SS..Hα-helixtrans-60.2-37.5177.200000113.1D215 Y217 N223D215-G219 PolarHBondContact O-N 3.21Å; Y217-G219 PolarHBondContact O-N 2.95Å; G219-N223 VanDerWaalsContact O-CG 3.23Å; G219-N223 PolarHBondContact O-N 2.9Å; G219-N223 PolarHBondContact O-ND2 3.11Å
220K96.6Very high94.1Very high104 Ų10492.5 Ų92.545%0.45244%0.435SS..Hα-helixtrans-65.1-46.6173.5-73.5178.2-177.2-68.60112.1F216 Y217 F218 R222 N223 I224F216-K220 HydrophobicContact CD1-CD 4.45Å; F216-K220 HydrophobicContact CE1-CD 4.04Å; F216-K220 HydrophobicContact CZ-CD 4.3Å; F216-K220 WeakPolarHBondContact O-CG 3.22Å; F216-K220 PolarHBondContact O-N 3.43Å; Y217-K220 WeakPolarHBondContact O-CB 3.28Å; Y217-K220 PolarHBondContact O-N 2.97Å; F218-K220 VanDerWaalsContact C-N 3.3Å; F218-K220 PolarHBondContact O-N 3.17Å; K220-R222 VanDerWaalsContact C-N 3.34Å; K220-N223 PolarHBondContact O-N 3.07Å; K220-I224 WeakPolarHBondContact O-CG1 3.43Å; K220-I224 PolarHBondContact O-N 3.3Å
221L96.4Very high93.8Very high89 Ų8990.4 Ų90.447%0.46643%0.425SS..Hα-helixtrans-63.2-41.2178.8-66.6170.8000111Y217 F218 N223 I224 E225 L246Y217-L221 WeakPolarHBondContact O-CG 3.49Å; Y217-L221 PolarHBondContact O-N 3.18Å; F218-L221 PolarHBondContact O-N 3.33Å; F218-L221 VanDerWaalsContact O-N 3.17Å; L221-N223 PolarHBondContact O-N 3.04Å; L221-I224 WeakPolarHBondContact O-CB 3.47Å; L221-I224 PolarHBondContact O-N 3.44Å; L221-E225 WeakPolarHBondContact O-CB 3.23Å; L221-E225 PolarHBondContact O-N 3.45Å; L221-L246 HydrophobicContact CB-CD2 4.14Å; L221-L246 HydrophobicContact CD2-CD2 3.64Å; L221-L246 HydrophobicContact CG-CD2 4.43Å
222R95.4Very high92.9Very high93 Ų9393.5 Ų93.535%0.35144%0.439SS..Hα-helixtrans-62.6-40.4175.2-177.356.8179.41505.9112.6F218 K220 I224 E225 L226F218-R222 WeakPolarHBondContact O-CB 3.45Å; F218-R222 PolarHBondContact O-N 3.43Å; K220-R222 VanDerWaalsContact C-N 3.34Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-E225 WeakPolarHBondContact CD-OE2 3.48Å; R222-E225 IonicContact CZ-OE2 3.62Å; R222-E225 IonicContact NE-OE2 3.8Å; R222-E225 IonicContact NH1-OE1 3.83Å; R222-E225 IonicContact NH1-OE2 2.7Å; R222-E225 PolarHBondContact NH1-OE2 3.5Å; R222-E225 WeakPolarHBondContact O-CB 3.48Å; R222-E225 PolarHBondContact O-N 3.02Å; R222-L226 WeakPolarHBondContact O-CG 3.38Å; R222-L226 PolarHBondContact O-N 3.35Å
223N96.3Very high92Very high99 Ų9992 Ų9253%0.52946%0.455SS..Hα-helixtrans-63.8-39.6174.5-72.2-24.5000111.9G219 K220 L221 L226 I227G219-N223 VanDerWaalsContact O-CG 3.23Å; G219-N223 PolarHBondContact O-N 2.9Å; G219-N223 PolarHBondContact O-ND2 3.11Å; K220-N223 PolarHBondContact O-N 3.07Å; L221-N223 PolarHBondContact O-N 3.04Å; N223-L226 PolarHBondContact O-N 2.87Å; N223-I227 WeakPolarHBondContact O-CG1 3.44Å; N223-I227 PolarHBondContact O-N 3.36Å
224I95Very high91.1Very high70 Ų7093.9 Ų93.936%0.35946%0.463SS..Hα-helixtrans-65.1-42.5175.5-66.1165.4000110.5K220 L221 R222 L226 I227 C228 I242 L246K220-I224 WeakPolarHBondContact O-CG1 3.43Å; K220-I224 PolarHBondContact O-N 3.3Å; L221-I224 WeakPolarHBondContact O-CB 3.47Å; L221-I224 PolarHBondContact O-N 3.44Å; R222-I224 VanDerWaalsContact C-N 3.33Å; I224-L226 PolarHBondContact O-N 3.12Å; I224-I227 PolarHBondContact O-N 3.41Å; I224-C228 PolarHBondContact O-N 3.1Å; I224-C228 PolarHBondContact O-SG 3.21Å; I224-I242 HydrophobicContact CG2-CG2 3.72Å; I224-L246 HydrophobicContact CG2-CD1 4.23Å
225E93.3Very high90.1Very high36 Ų3694.4 Ų94.417%0.16848%0.477CS..Hα-helixtrans-59.8-45.1176.8-171.1-174.3-159.100111.7L221 R222 I227 C228 Q229 L246 Y247L221-E225 WeakPolarHBondContact O-CB 3.23Å; L221-E225 PolarHBondContact O-N 3.45Å; R222-E225 WeakPolarHBondContact CD-OE2 3.48Å; R222-E225 IonicContact CZ-OE2 3.62Å; R222-E225 IonicContact NE-OE2 3.8Å; R222-E225 IonicContact NH1-OE1 3.83Å; R222-E225 IonicContact NH1-OE2 2.7Å; R222-E225 PolarHBondContact NH1-OE2 3.5Å; R222-E225 WeakPolarHBondContact O-CB 3.48Å; R222-E225 PolarHBondContact O-N 3.02Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.48Å; E225-C228 WeakPolarHBondContact O-CB 3.49Å; E225-C228 PolarHBondContact O-N 3.25Å; E225-C228 VanDerWaalsContact O-N 3.13Å; E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.28Å; E225-L246 HydrophobicContact CB-CD1 3.96Å; E225-L246 HydrophobicContact CG-CD1 4.4Å; E225-Y247 PolarHBondContact OE1-OH 3.17Å
226L94.1Very high89.8Confident62 Ų6293.4 Ų93.433%0.32547%0.471SS..Hα-helixtrans-59.1-43.8175.9-74.3174.2000112R222 N223 I224 C228 Q229 E230R222-L226 WeakPolarHBondContact O-CG 3.38Å; R222-L226 PolarHBondContact O-N 3.35Å; N223-L226 PolarHBondContact O-N 2.87Å; I224-L226 PolarHBondContact O-N 3.12Å; L226-C228 VanDerWaalsContact C-N 3.3Å; L226-C228 PolarHBondContact O-N 3.19Å; L226-Q229 PolarHBondContact O-N 3.21Å; L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.18Å
227I93.6Very high89.5Confident95 Ų9592.1 Ų92.149%0.48747%0.474SS..Hα-helixtrans-60.5-41.8175.9-67.1164.4000110.6N223 I224 E225 Q229 N231N223-I227 WeakPolarHBondContact O-CG1 3.44Å; N223-I227 PolarHBondContact O-N 3.36Å; I224-I227 PolarHBondContact O-N 3.41Å; E225-I227 VanDerWaalsContact C-N 3.34Å; E225-I227 PolarHBondContact O-N 3.48Å; I227-Q229 VanDerWaalsContact C-N 3.35Å; I227-Q229 PolarHBondContact O-N 3.25Å; I227-N231 PolarHBondContact O-N 3.22Å; I227-N231 PolarHBondContact O-OD1 3.28Å; I227-N231 VanDerWaalsContact O-OD1 3.09Å
228C91.8Very high89.2Confident8 Ų889 Ų895%0.05447%0.47CS..Hα-helixtrans-65.3-39.4178.2-62.30000111.9I224 E225 L226 N231 E232 V243I224-C228 PolarHBondContact O-N 3.1Å; I224-C228 PolarHBondContact O-SG 3.21Å; E225-C228 WeakPolarHBondContact O-CB 3.49Å; E225-C228 PolarHBondContact O-N 3.25Å; E225-C228 VanDerWaalsContact O-N 3.13Å; L226-C228 VanDerWaalsContact C-N 3.3Å; L226-C228 PolarHBondContact O-N 3.19Å; C228-N231 PolarHBondContact O-N 2.9Å; C228-E232 PolarHBondContact O-N 2.86Å; C228-V243 HydrophobicContact CB-CG2 3.81Å
229Q88.7Confident88.9Confident89 Ų8983.8 Ų83.842%0.41645%0.448SS..Hα-helixtrans-67.5-41.5178.3-71.5175.6-8.100112.4E225 L226 I227 N231 E232E225-Q229 WeakPolarHBondContact O-CG 3.43Å; E225-Q229 PolarHBondContact O-N 3.28Å; L226-Q229 PolarHBondContact O-N 3.21Å; I227-Q229 VanDerWaalsContact C-N 3.35Å; I227-Q229 PolarHBondContact O-N 3.25Å; Q229-N231 PolarHBondContact O-N 3.49Å; Q229-E232 WeakPolarHBondContact O-CB 3.34Å; Q229-E232 PolarHBondContact O-N 3.33Å
230E90.4Very high88.7Confident156 Ų15687.4 Ų87.473%0.72946%0.457SS*.Hα-helixtrans-63.3-28.2177.2-72.8175.9-179.400112.6L226L226-E230 WeakPolarHBondContact O-CG 3.34Å; L226-E230 PolarHBondContact O-N 3.18Å
231N85.9Confident88.4Confident55 Ų5589.9 Ų89.929%0.29446%0.463SS..THydrogen-bonded Turntrans-102.98.2-177.7-72.587.1000114.5I227 C228 Q229 G233 E234 L239I227-N231 PolarHBondContact O-N 3.22Å; I227-N231 PolarHBondContact O-OD1 3.28Å; I227-N231 VanDerWaalsContact O-OD1 3.09Å; C228-N231 PolarHBondContact O-N 2.9Å; Q229-N231 PolarHBondContact O-N 3.49Å; N231-G233 PolarHBondContact O-N 2.99Å; N231-G233 VanDerWaalsContact O-N 3.1Å; N231-E234 PolarHBondContact ND2-OE2 3.46Å; N231-E234 PolarHBondContact O-N 3.06Å; N231-E234 VanDerWaalsContact O-N 3.12Å; N231-L239 HydrophobicContact CB-CD1 3.45Å; N231-L239 VanDerWaalsContact CB-CD1 3.45Å
232E77.4Confident88.2Confident148 Ų14888.4 Ų88.469%0.69246%0.456SS*.G310 helixtrans-59.5-26.8-174.7-166.8176.3-164.100113.3C228 Q229 E234C228-E232 PolarHBondContact O-N 2.86Å; Q229-E232 WeakPolarHBondContact O-CB 3.34Å; Q229-E232 PolarHBondContact O-N 3.33Å; E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 3.18Å
233G72.5Confident87.9Confident76 Ų7685.9 Ų85.978%0.78445%0.45SS*.G310 helixtrans-70.1-13.4178.700000115.6N231N231-G233 PolarHBondContact O-N 2.99Å; N231-G233 VanDerWaalsContact O-N 3.1Å
234E77.4Confident87.6Confident143 Ų14385.4 Ų85.467%0.66845%0.448SS*.G310 helixtrans-89.6-4.7-174.6-63.2-172.9153.900113.6N231 E232 D236N231-E234 PolarHBondContact ND2-OE2 3.46Å; N231-E234 PolarHBondContact O-N 3.06Å; N231-E234 VanDerWaalsContact O-N 3.12Å; E232-E234 VanDerWaalsContact C-N 3.26Å; E232-E234 PolarHBondContact O-N 3.18Å; E234-D236 VanDerWaalsContact C-N 3.25Å; E234-D236 PolarHBondContact O-N 2.96Å
235N74.5Confident87.5Confident150 Ų15088.2 Ų88.280%0.80246%0.462SS*.  trans48.642.3-178.3-80.5-62.7000113.4P237N235-P237 VanDerWaalsContact O-CD 3.29Å; N235-P237 WeakPolarHBondContact O-CD 3.38Å
236D86.2Confident87.4Confident67 Ų6788.8 Ų88.836%0.35847%0.466SS..  trans-76.3117.5178.1-173-16.7000111E234 V238 L239 Q240E234-D236 VanDerWaalsContact C-N 3.25Å; E234-D236 PolarHBondContact O-N 2.96Å; D236-V238 PolarHBondContact O-N 2.82Å; D236-V238 VanDerWaalsContact O-N 3.09Å; D236-V238 VanDerWaalsContact OD1-CB 3.29Å; D236-V238 WeakPolarHBondContact OD1-CB 3.46Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.4Å; D236-V238 PolarHBondContact OD1-N 3.1Å; D236-L239 HydrophobicContact CB-CB 4.19Å; D236-L239 HydrophobicContact CB-CD1 3.89Å; D236-L239 HydrophobicContact CB-CG 3.86Å; D236-L239 PolarHBondContact O-N 3.34Å; D236-L239 VanDerWaalsContact O-N 3.08Å; D236-Q240 PolarHBondContact O-N 3Å
237P88.4Confident87.1Confident91 Ų9192.3 Ų92.359%0.59148%0.476SS*.Hα-helixtrans-61.7-15.9176.8-20.933.4000114.6N235 R241N235-P237 VanDerWaalsContact O-CD 3.29Å; N235-P237 WeakPolarHBondContact O-CD 3.38Å; P237-R241 WeakPolarHBondContact O-CG 3.46Å; P237-R241 PolarHBondContact O-NE 3.09Å; P237-R241 VanDerWaalsContact O-NE 3.11Å
238V90Very high86.9Confident70 Ų7091.3 Ų91.342%0.42448%0.482SS..Hα-helixtrans-78-44.5173.4-178.80000110.4D236 Q240 R241 I242D236-V238 PolarHBondContact O-N 2.82Å; D236-V238 VanDerWaalsContact O-N 3.09Å; D236-V238 VanDerWaalsContact OD1-CB 3.29Å; D236-V238 WeakPolarHBondContact OD1-CB 3.46Å; D236-V238 WeakPolarHBondContact OD1-CG2 3.4Å; D236-V238 PolarHBondContact OD1-N 3.1Å; V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.06Å; V238-R241 PolarHBondContact O-N 3.13Å; V238-I242 HydrophobicContact CG1-CD1 4.18Å; V238-I242 WeakPolarHBondContact O-CG1 3.47Å; V238-I242 PolarHBondContact O-N 3.35Å; V238-I242 VanDerWaalsContact O-N 3.12Å
239L89.6Confident86.4Confident29 Ų2995.5 Ų95.515%0.15251%0.507CS..Hα-helixtrans-62-41.6177.7-67.2179000111.2N231 D236 R241 I242 V243N231-L239 HydrophobicContact CB-CD1 3.45Å; N231-L239 VanDerWaalsContact CB-CD1 3.45Å; D236-L239 HydrophobicContact CB-CB 4.19Å; D236-L239 HydrophobicContact CB-CD1 3.89Å; D236-L239 HydrophobicContact CB-CG 3.86Å; D236-L239 PolarHBondContact O-N 3.34Å; D236-L239 VanDerWaalsContact O-N 3.08Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.8Å; L239-I242 PolarHBondContact O-N 3.22Å; L239-I242 VanDerWaalsContact O-N 3.1Å; L239-V243 WeakPolarHBondContact O-CG2 3.27Å; L239-V243 PolarHBondContact O-N 2.71Å
240Q88.6Confident85.6Confident106 Ų10697.8 Ų97.850%0.49552%0.522SS..Hα-helixtrans-58.5-42.8176-171.659.95400112.2D236 V238 I242 V243 D244D236-Q240 PolarHBondContact O-N 3Å; V238-Q240 VanDerWaalsContact C-N 3.32Å; V238-Q240 PolarHBondContact O-N 3.06Å; Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 3.08Å; Q240-V243 WeakPolarHBondContact O-CB 3.16Å; Q240-V243 PolarHBondContact O-N 2.94Å; Q240-D244 PolarHBondContact NE2-OD1 3.31Å; Q240-D244 PolarHBondContact O-N 3.41Å
241R91.2Very high83.9Confident155 Ų155100.3 Ų100.359%0.58553%0.534SS*.Hα-helixtrans-66-33.1177.3-75.9-176.8-75167.4-3.2112.9P237 V238 L239 I245P237-R241 WeakPolarHBondContact O-CG 3.46Å; P237-R241 PolarHBondContact O-NE 3.09Å; P237-R241 VanDerWaalsContact O-NE 3.11Å; V238-R241 PolarHBondContact O-N 3.13Å; L239-R241 VanDerWaalsContact C-N 3.31Å; L239-R241 PolarHBondContact O-N 2.8Å; R241-I245 WeakPolarHBondContact O-CD1 3.48Å; R241-I245 VanDerWaalsContact O-CG1 3.28Å; R241-I245 WeakPolarHBondContact O-CG1 3.39Å; R241-I245 PolarHBondContact O-N 3.49Å
242I91.9Very high82.3Confident59 Ų59101.2 Ų101.230%0.30356%0.557SS.*Hα-helixtrans-68.8-44.2175.5-65.9167000109.8I224 V238 L239 Q240 D244 I245 L246I224-I242 HydrophobicContact CG2-CG2 3.72Å; V238-I242 HydrophobicContact CG1-CD1 4.18Å; V238-I242 WeakPolarHBondContact O-CG1 3.47Å; V238-I242 PolarHBondContact O-N 3.35Å; V238-I242 VanDerWaalsContact O-N 3.12Å; L239-I242 PolarHBondContact O-N 3.22Å; L239-I242 VanDerWaalsContact O-N 3.1Å; Q240-I242 VanDerWaalsContact C-N 3.31Å; Q240-I242 PolarHBondContact O-N 3.08Å; I242-D244 PolarHBondContact O-N 3.13Å; I242-I245 WeakPolarHBondContact O-CB 3.39Å; I242-I245 PolarHBondContact O-N 3.43Å; I242-L246 HydrophobicContact CG2-CD1 4.24Å; I242-L246 HydrophobicContact CG2-CG 4.49Å; I242-L246 WeakPolarHBondContact O-CG 3.5Å; I242-L246 PolarHBondContact O-N 2.96Å
243V89.3Confident81Confident39 Ų39101.3 Ų101.324%0.23656%0.555CS.*Hα-helixtrans-58-47.2174.6168.30000111C228 L239 Q240 I245 L246 Y247C228-V243 HydrophobicContact CB-CG2 3.81Å; L239-V243 WeakPolarHBondContact O-CG2 3.27Å; L239-V243 PolarHBondContact O-N 2.71Å; Q240-V243 WeakPolarHBondContact O-CB 3.16Å; Q240-V243 PolarHBondContact O-N 2.94Å; V243-I245 PolarHBondContact O-N 2.95Å; V243-L246 PolarHBondContact O-N 2.56Å; V243-Y247 HydrophobicContact CG1-CD2 3.69Å; V243-Y247 HydrophobicContact CG1-CE2 3.79Å; V243-Y247 VanDerWaalsContact O-CD2 3.27Å; V243-Y247 WeakPolarHBondContact O-CD2 3.29Å; V243-Y247 PolarHBondContact O-N 2.7Å
244D89.9Confident80.3Confident90 Ų90103.5 Ų103.548%0.48155%0.553SS.*Hα-helixtrans-59.4-35.2178.2-63.2-15.8000112.1Q240 I242 A248Q240-D244 PolarHBondContact NE2-OD1 3.31Å; Q240-D244 PolarHBondContact O-N 3.41Å; I242-D244 PolarHBondContact O-N 3.13Å; D244-A248 WeakPolarHBondContact O-CB 3.39Å; D244-A248 PolarHBondContact O-N 2.91Å; D244-A248 VanDerWaalsContact O-N 3.1Å
245I92.1Very high79.3Confident128 Ų128102.1 Ų102.166%0.65655%0.549SS*.Hα-helixtrans-70.4-41.8174.7-68.2164.5000111.3R241 I242 V243 Y247 A248R241-I245 WeakPolarHBondContact O-CD1 3.48Å; R241-I245 VanDerWaalsContact O-CG1 3.28Å; R241-I245 WeakPolarHBondContact O-CG1 3.39Å; R241-I245 PolarHBondContact O-N 3.49Å; I242-I245 WeakPolarHBondContact O-CB 3.39Å; I242-I245 PolarHBondContact O-N 3.43Å; V243-I245 PolarHBondContact O-N 2.95Å; I245-Y247 VanDerWaalsContact C-N 3.3Å; I245-Y247 PolarHBondContact O-N 3.23Å; I245-A248 WeakPolarHBondContact O-CB 3.29Å; I245-A248 PolarHBondContact O-N 2.97Å
246L90.9Very high78.3Confident49 Ų49100 Ų10026%0.25754%0.544SS..Hα-helixtrans-65-33.8-178.8-71.3174.4000112.7L221 I224 E225 I242 V243L221-L246 HydrophobicContact CB-CD2 4.14Å; L221-L246 HydrophobicContact CD2-CD2 3.64Å; L221-L246 HydrophobicContact CG-CD2 4.43Å; I224-L246 HydrophobicContact CG2-CD1 4.23Å; E225-L246 HydrophobicContact CB-CD1 3.96Å; E225-L246 HydrophobicContact CG-CD1 4.4Å; I242-L246 HydrophobicContact CG2-CD1 4.24Å; I242-L246 HydrophobicContact CG2-CG 4.49Å; I242-L246 WeakPolarHBondContact O-CG 3.5Å; I242-L246 PolarHBondContact O-N 2.96Å; V243-L246 PolarHBondContact O-N 2.56Å
247Y89.2Confident76.4Confident135 Ų135104.1 Ų104.153%0.52957%0.566SS.*THydrogen-bonded Turntrans-98.83.3179-65.5-70.6000113.9E225 V243 I245 T249E225-Y247 PolarHBondContact OE1-OH 3.17Å; V243-Y247 HydrophobicContact CG1-CD2 3.69Å; V243-Y247 HydrophobicContact CG1-CE2 3.79Å; V243-Y247 VanDerWaalsContact O-CD2 3.27Å; V243-Y247 WeakPolarHBondContact O-CD2 3.29Å; V243-Y247 PolarHBondContact O-N 2.7Å; I245-Y247 VanDerWaalsContact C-N 3.3Å; I245-Y247 PolarHBondContact O-N 3.23Å; Y247-T249 PolarHBondContact O-N 2.87Å
248A89.5Confident74.4Confident74 Ų74109.9 Ų109.961%0.61259%0.585SS**  trans-62.5130.2174.400000110D244 I245D244-A248 WeakPolarHBondContact O-CB 3.39Å; D244-A248 PolarHBondContact O-N 2.91Å; D244-A248 VanDerWaalsContact O-N 3.1Å; I245-A248 WeakPolarHBondContact O-CB 3.29Å; I245-A248 PolarHBondContact O-N 2.97Å
249T81.2Confident72.2Confident96 Ų96109.3 Ų109.359%0.58959%0.593SS**  trans-107.5135.3172.352.60000109.4Y247Y247-T249 PolarHBondContact O-N 2.87Å
250D72.1Confident69.8Low137 Ų137110.7 Ų110.773%0.73362%0.615SS**  trans-73.2145.2169.8-77.3-38.4000110G252 F253D250-G252 PolarHBondContact O-N 3.2Å; D250-F253 PolarHBondContact O-N 3.34Å
251E53.3Low67.4Low209 Ų209111.7 Ų111.798%0.97763%0.63SS**THydrogen-bonded Turntrans-58.3104.3175.1-70.8-162.8173.800110.1
252G53.9Low64.8Low75 Ų75112.8 Ų112.877%0.77364%0.642SS**THydrogen-bonded Turntrans118-4.5-177.100000115.2D250 V254D250-G252 PolarHBondContact O-N 3.2Å; G252-V254 PolarHBondContact O-N 3.27Å
253F49.9Very low62.4Low149 Ų149118.9 Ų118.965%0.65467%0.669SS**  trans-79.698.4173.1-150.1-92.9000110.3D250D250-F253 PolarHBondContact O-N 3.34Å
254V57.4Low60Low122 Ų122125.4 Ų125.474%0.73970%0.697SS**  trans-84.1111.8171.4-175.20000107.5G252 P256G252-V254 PolarHBondContact O-N 3.27Å; V254-P256 VanDerWaalsContact O-CD 3.23Å; V254-P256 WeakPolarHBondContact O-CD 3.49Å
255I56.6Low57.6Low114 Ų114129.9 Ų129.959%0.58572%0.715SS**  trans-63115.9165.6-58.1171.6000105.6D257I255-D257 PolarHBondContact O-N 3.09Å; I255-D257 VanDerWaalsContact O-N 3.13Å
256P52.5Low55.2Low107 Ų107133.2 Ų133.270%0.69573%0.728SS**  trans-60.1121169.6-1428.7000106.3V254 E258V254-P256 VanDerWaalsContact O-CD 3.23Å; V254-P256 WeakPolarHBondContact O-CD 3.49Å; P256-E258 PolarHBondContact O-N 3.2Å
257D46.1Very low52.9Low153 Ų153139.1 Ų139.182%0.81875%0.754SS**  trans-42.8135.5177.8-82.4-38.9000109.8I255 G259I255-D257 PolarHBondContact O-N 3.09Å; I255-D257 VanDerWaalsContact O-N 3.13Å; D257-G259 PolarHBondContact O-N 3.38Å
258E47Very low50.6Low211 Ų211146.8 Ų146.899%0.98678%0.784SS**SBendtrans-6644.6169.3-72.1-167.914100111.8P256P256-E258 PolarHBondContact O-N 3.2Å
259G43.9Very low48.6Very low58 Ų58150.4 Ų150.460%0.59879%0.793SS**  trans-130.359.7-18000000110D257D257-G259 PolarHBondContact O-N 3.38Å
260G39.3Very low46.9Very low59 Ų59153.3 Ų153.361%0.60880%0.803SS**  trans-56.7140.4157.300000109Q262G260-Q262 PolarHBondContact O-N 3.12Å; G260-Q262 VanDerWaalsContact O-N 3.17Å
261P37.9Very low45.5Very low126 Ų126154.2 Ų154.282%0.81881%0.807SS**  trans-55.8126.3178.613.9-19.2000109E263P261-E263 PolarHBondContact O-N 3.1Å
262Q37.1Very low45Very low179 Ų179150.9 Ų150.984%0.83680%0.797SS**  trans-54.8112.3167.6-75.1172.7-15.200106.9G260 E264G260-Q262 PolarHBondContact O-N 3.12Å; G260-Q262 VanDerWaalsContact O-N 3.17Å; Q262-E264 PolarHBondContact O-N 3.4Å
263E41.1Very low44.5Very low186 Ų186155.7 Ų155.787%0.86980%0.799SS**  trans-6095.1158.2-69.7-178.4169.200105.7P261 Q265P261-E263 PolarHBondContact O-N 3.1Å; E263-Q265 VanDerWaalsContact C-N 3.32Å; E263-Q265 PolarHBondContact O-N 3.29Å
264E39.8Very low44.1Very low176 Ų176156.1 Ų156.182%0.82281%0.809SS**  trans-58.3103.6165-78.5-176.5163.500106.4Q262 E266Q262-E264 PolarHBondContact O-N 3.4Å; E264-E266 PolarHBondContact O-N 3.13Å
265Q38.1Very low43.2Very low184 Ų184158.6 Ų158.686%0.8681%0.814SS**  trans-56.8119.9167.2-72.5175.713.300107.5E263 E267E263-Q265 VanDerWaalsContact C-N 3.32Å; E263-Q265 PolarHBondContact O-N 3.29Å; Q265-E267 PolarHBondContact O-N 3.28Å; Q265-E267 VanDerWaalsContact O-N 3.13Å
266E42.1Very low42.2Very low199 Ų199162 Ų16293%0.9383%0.831SS**  trans-52.2114.7164.6-69.3179.5155.800109E264E264-E266 PolarHBondContact O-N 3.13Å
267E42.1Very low41.3Very low173 Ų173166.6 Ų166.681%0.80884%0.843SS**  trans-131101.6161.8-165.1170.9-16900109.7Q265Q265-E267 PolarHBondContact O-N 3.28Å; Q265-E267 VanDerWaalsContact O-N 3.13Å
268Y41.1Very low40.9Very low295 Ų295167.8 Ų167.8100%1.15785%0.845SS**  trans66.10163.5-79.1-83.7000121.4

Retrieved 268 of 268 residues in 404.5 ms (Link to these results)

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