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Lysophospholipase D GDPD3

Hydrolyzes lysoglycerophospholipids to produce lysophosphatidic acid (LPA) and the corresponding amines. Shows a preference for 1-O-alkyl-sn-glycero-3-phosphocholine (lyso-PAF), lysophosphatidylcholine (lyso-PC) and N-acylethanolamine lysophospholipids. Does not display glycerophosphodiester phosphodiesterase activity, since it cannot hydrolyze either glycerophosphoinositol or glycerophosphocholine.

AlphaFold DB , UniProt , Accession A0A2K6ATW0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene GDPD3, Length 318 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
1M59.5Low79.6Confident187 Ų187105.8 Ų105.892%0.92157%0.572SS**  0128.40-83.1161.267.400107.7
2S74.9Confident80.6Confident63 Ų63106.5 Ų106.544%0.44157%0.574SS.*  trans-61.8146.8177.660.90000110.1S4 L5S2-S4 PolarHBondContact O-N 2.89Å; S2-S4 VanDerWaalsContact O-N 3.07Å; S2-L5 WeakPolarHBondContact O-CB 3.44Å; S2-L5 PolarHBondContact O-N 3.28Å; S2-L5 WeakPolarHBondContact OG-CD1 3.27Å
3L72.1Confident81.7Confident137 Ų137101.1 Ų101.172%0.71756%0.558SS**Hα-helixtrans-52.3-32.6179.2-149.981.8000111.7L5 Y6 Y7L3-L5 PolarHBondContact O-N 3.16Å; L3-Y6 WeakPolarHBondContact O-CB 3.38Å; L3-Y6 PolarHBondContact O-N 2.96Å; L3-Y7 HydrophobicContact CG-CE2 4.23Å; L3-Y7 VanDerWaalsContact O-CD2 3.32Å; L3-Y7 WeakPolarHBondContact O-CD2 3.17Å
4S69.4Low82.6Confident92 Ų9298.2 Ų98.264%0.64355%0.549SS*.Hα-helixtrans-63-37.9176-39.30000113.4S2 Y6 A8S2-S4 PolarHBondContact O-N 2.89Å; S2-S4 VanDerWaalsContact O-N 3.07Å; S4-Y6 VanDerWaalsContact C-N 3.31Å; S4-Y6 PolarHBondContact O-N 3.03Å; S4-A8 WeakPolarHBondContact O-CB 3.32Å; S4-A8 PolarHBondContact O-N 3.04Å
5L74.3Confident83.5Confident86 Ų8697 Ų9745%0.4553%0.533SS..Hα-helixtrans-69.3-30.4177-104.9117.4000112.3S2 L3 Y7 L9S2-L5 WeakPolarHBondContact O-CB 3.44Å; S2-L5 PolarHBondContact O-N 3.28Å; S2-L5 WeakPolarHBondContact OG-CD1 3.27Å; L3-L5 PolarHBondContact O-N 3.16Å; L5-Y7 VanDerWaalsContact C-N 3.35Å; L5-Y7 PolarHBondContact O-N 2.78Å; L5-L9 HydrophobicContact CD2-CD1 4.09Å; L5-L9 PolarHBondContact O-N 2.73Å
6Y81.8Confident84.3Confident159 Ų15993.6 Ų93.662%0.62452%0.522SS*.Hα-helixtrans-66.9-34.5-179.2-166.5-96.4000112.6L3 S4 P10L3-Y6 WeakPolarHBondContact O-CB 3.38Å; L3-Y6 PolarHBondContact O-N 2.96Å; S4-Y6 VanDerWaalsContact C-N 3.31Å; S4-Y6 PolarHBondContact O-N 3.03Å; Y6-P10 WeakPolarHBondContact O-CD 3.48Å; Y6-P10 WeakPolarHBondContact O-CG 3.32Å
7Y85.8Confident85Confident159 Ų15996.5 Ų96.562%0.62453%0.533SS*.Hα-helixtrans-92.7-32.4176.8-64.9-72000113.4L3 L5 P10 A11L3-Y7 HydrophobicContact CG-CE2 4.23Å; L3-Y7 VanDerWaalsContact O-CD2 3.32Å; L3-Y7 WeakPolarHBondContact O-CD2 3.17Å; L5-Y7 VanDerWaalsContact C-N 3.35Å; L5-Y7 PolarHBondContact O-N 2.78Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; Y7-A11 WeakPolarHBondContact O-CB 3.32Å; Y7-A11 PolarHBondContact O-N 2.79Å
8A86.8Confident85.7Confident45 Ų4596.1 Ų96.137%0.37253%0.529SS..Hα-helixtrans-66.5-40-177.800000112.9S4 A11 L12S4-A8 WeakPolarHBondContact O-CB 3.32Å; S4-A8 PolarHBondContact O-N 3.04Å; A8-A11 PolarHBondContact O-N 3.37Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.32Å; A8-L12 WeakPolarHBondContact O-CG 3.34Å; A8-L12 PolarHBondContact O-N 3.49Å
9L87.1Confident86.3Confident102 Ų10291.6 Ų91.653%0.53451%0.505SS..Hα-helixtrans-64.5-50.4-178.7-85.1161.7000112.9L5 A11 L12 G13L5-L9 HydrophobicContact CD2-CD1 4.09Å; L5-L9 PolarHBondContact O-N 2.73Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.2Å; L9-L12 PolarHBondContact O-N 3.1Å; L9-G13 PolarHBondContact O-N 3.19Å
10P92Very high86.8Confident80 Ų8092.7 Ų92.752%0.51951%0.509SS..Hα-helixtrans-62.3-36.6174.2-24.734.5000113.5Y6 Y7 G13 S14Y6-P10 WeakPolarHBondContact O-CD 3.48Å; Y6-P10 WeakPolarHBondContact O-CG 3.32Å; Y7-P10 WeakPolarHBondContact O-CD 3.45Å; P10-G13 PolarHBondContact O-N 2.86Å; P10-S14 WeakPolarHBondContact O-CB 3.47Å; P10-S14 PolarHBondContact O-N 3.33Å; P10-S14 PolarHBondContact O-OG 3.44Å
11A91.9Very high87.3Confident54 Ų5492.4 Ų92.445%0.44650%0.503SS..Hα-helixtrans-64.5-45.4176.900000111.7Y7 A8 L9 S14 Y15Y7-A11 WeakPolarHBondContact O-CB 3.32Å; Y7-A11 PolarHBondContact O-N 2.79Å; A8-A11 PolarHBondContact O-N 3.37Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.2Å; A11-S14 WeakPolarHBondContact CA-OG 3.16Å; A11-S14 PolarHBondContact O-OG 3.47Å; A11-Y15 VanDerWaalsContact O-CB 3.27Å; A11-Y15 WeakPolarHBondContact O-CB 3.42Å; A11-Y15 PolarHBondContact O-N 3.06Å
12L92.1Very high89.1Confident114 Ų11485.2 Ų85.260%0.59747%0.467SS*.Hα-helixtrans-66.6-40.1175.8-72.3169.9000112.1A8 L9 Y15 A16A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 VanDerWaalsContact O-CG 3.32Å; A8-L12 WeakPolarHBondContact O-CG 3.34Å; A8-L12 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.1Å; L12-Y15 PolarHBondContact O-N 3.23Å; L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 2.88Å
13G94.2Very high90.1Very high36 Ų3683.9 Ų83.937%0.37145%0.454SS..Hα-helixtrans-62.7-49176.500000112.3L9 P10 A16 M17L9-G13 PolarHBondContact O-N 3.19Å; P10-G13 PolarHBondContact O-N 2.86Å; G13-A16 PolarHBondContact O-N 3.45Å; G13-M17 WeakPolarHBondContact O-CB 3.43Å; G13-M17 VanDerWaalsContact O-CG 3.31Å; G13-M17 WeakPolarHBondContact O-CG 3.48Å; G13-M17 PolarHBondContact O-N 3.34Å
14S94.9Very high91.2Very high61 Ų6184.3 Ų84.343%0.42745%0.446SS..Hα-helixtrans-63.4-40.9176.554.40000112.2P10 A11 M17 L18P10-S14 WeakPolarHBondContact O-CB 3.47Å; P10-S14 PolarHBondContact O-N 3.33Å; P10-S14 PolarHBondContact O-OG 3.44Å; A11-S14 WeakPolarHBondContact CA-OG 3.16Å; A11-S14 PolarHBondContact O-OG 3.47Å; S14-M17 PolarHBondContact O-N 2.89Å; S14-L18 WeakPolarHBondContact O-CB 3.31Å; S14-L18 VanDerWaalsContact O-CG 3.32Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 3.16Å
15Y96.3Very high92.4Very high80 Ų8084.8 Ų84.831%0.31443%0.434SS..Hα-helixtrans-57.2-52.4172.6169.7-102.4000112A11 L12 M17 L18 S19 L213 G214 L215 F218A11-Y15 VanDerWaalsContact O-CB 3.27Å; A11-Y15 WeakPolarHBondContact O-CB 3.42Å; A11-Y15 PolarHBondContact O-N 3.06Å; L12-Y15 PolarHBondContact O-N 3.23Å; Y15-M17 VanDerWaalsContact C-N 3.32Å; Y15-M17 PolarHBondContact O-N 3.48Å; Y15-L18 PolarHBondContact O-N 2.73Å; Y15-S19 VanDerWaalsContact O-CB 3.28Å; Y15-S19 WeakPolarHBondContact O-CB 3.34Å; Y15-S19 PolarHBondContact O-N 3.27Å; Y15-L213 PolarHBondContact OH-O 3.12Å; Y15-G214 WeakPolarHBondContact OH-CA 3.1Å; Y15-G214 PolarHBondContact OH-O 3.08Å; Y15-L215 HydrophobicContact CE2-CD2 4.07Å; Y15-L215 VanDerWaalsContact OH-CD2 3.27Å; Y15-L215 WeakPolarHBondContact OH-CD2 3.36Å; Y15-L215 WeakPolarHBondContact OH-CG 3.5Å; Y15-L215 PolarHBondContact OH-N 2.91Å; Y15-F218 HydrophobicContact CE2-CE2 4.46Å
16A95.5Very high93.4Very high43 Ų4380.8 Ų80.836%0.35541%0.413SS..Hα-helixtrans-61.3-41.9-179.300000111.5L12 G13 S19 I20L12-A16 WeakPolarHBondContact O-CB 3.24Å; L12-A16 PolarHBondContact O-N 2.88Å; G13-A16 PolarHBondContact O-N 3.45Å; A16-S19 PolarHBondContact O-N 3.46Å; A16-I20 WeakPolarHBondContact O-CB 3.49Å; A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.07Å; A16-I20 PolarHBondContact O-N 2.74Å
17M96.8Very high93.9Very high143 Ų14378.3 Ų78.370%0.70441%0.407SS*.Hα-helixtrans-61.3-49.3175.7-74.2-177.569.700112.1G13 S14 Y15 I20 F21G13-M17 WeakPolarHBondContact O-CB 3.43Å; G13-M17 VanDerWaalsContact O-CG 3.31Å; G13-M17 WeakPolarHBondContact O-CG 3.48Å; G13-M17 PolarHBondContact O-N 3.34Å; S14-M17 PolarHBondContact O-N 2.89Å; Y15-M17 VanDerWaalsContact C-N 3.32Å; Y15-M17 PolarHBondContact O-N 3.48Å; M17-I20 PolarHBondContact O-N 3.21Å; M17-F21 VanDerWaalsContact O-CB 3.24Å; M17-F21 WeakPolarHBondContact O-CB 3.32Å; M17-F21 PolarHBondContact O-N 2.96Å
18L96.9Very high94.3Very high88 Ų8875.3 Ų75.346%0.46140%0.401SS..Hα-helixtrans-65-41.8178.9-71.1174.3000111.7S14 Y15 F21 F22 F218S14-L18 WeakPolarHBondContact O-CB 3.31Å; S14-L18 VanDerWaalsContact O-CG 3.32Å; S14-L18 WeakPolarHBondContact O-CG 3.27Å; S14-L18 PolarHBondContact O-N 3.16Å; Y15-L18 PolarHBondContact O-N 2.73Å; L18-F21 PolarHBondContact O-N 3.14Å; L18-F22 HydrophobicContact CB-CD2 4.34Å; L18-F22 HydrophobicContact CB-CE2 4.37Å; L18-F22 HydrophobicContact CD2-CE2 3.99Å; L18-F22 WeakPolarHBondContact O-CD2 3.32Å; L18-F22 PolarHBondContact O-N 3.49Å; L18-F218 HydrophobicContact CB-CZ 4.4Å
19S97.3Very high94.6Very high11 Ų1176.8 Ų76.88%0.07740%0.403CS..Hα-helixtrans-56.5-52174.3165.80000110.9Y15 A16 F21 L23 G214 P217Y15-S19 VanDerWaalsContact O-CB 3.28Å; Y15-S19 WeakPolarHBondContact O-CB 3.34Å; Y15-S19 PolarHBondContact O-N 3.27Å; A16-S19 PolarHBondContact O-N 3.46Å; S19-F21 VanDerWaalsContact C-N 3.34Å; S19-F21 PolarHBondContact O-N 2.82Å; S19-L23 WeakPolarHBondContact O-CB 3.44Å; S19-L23 PolarHBondContact O-N 3.29Å; S19-G214 VanDerWaalsContact CB-O 3.31Å; S19-G214 WeakPolarHBondContact CB-O 3.24Å; S19-G214 WeakPolarHBondContact OG-CA 3.42Å; S19-G214 PolarHBondContact OG-O 3.35Å; S19-P217 WeakPolarHBondContact O-CG 3.3Å
20I96.3Very high94.9Very high113 Ų11373.8 Ų73.858%0.57939%0.386SS*.Hα-helixtrans-64-41.2179.9-68166.3000111.2A16 M17 L23 R24A16-I20 WeakPolarHBondContact O-CB 3.49Å; A16-I20 VanDerWaalsContact O-CG1 3.27Å; A16-I20 WeakPolarHBondContact O-CG1 3.07Å; A16-I20 PolarHBondContact O-N 2.74Å; M17-I20 PolarHBondContact O-N 3.21Å; I20-L23 PolarHBondContact O-N 3.39Å; I20-R24 PolarHBondContact O-N 2.96Å
21F97.2Very high94.6Very high88 Ų8875.9 Ų75.939%0.38640%0.397SS..Hα-helixtrans-59.1-57.4177.6-179.4-94.3000110.8M17 L18 S19 L23 R24 W25 L28M17-F21 VanDerWaalsContact O-CB 3.24Å; M17-F21 WeakPolarHBondContact O-CB 3.32Å; M17-F21 PolarHBondContact O-N 2.96Å; L18-F21 PolarHBondContact O-N 3.14Å; S19-F21 VanDerWaalsContact C-N 3.34Å; S19-F21 PolarHBondContact O-N 2.82Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 3.4Å; F21-R24 PolarHBondContact O-N 3.4Å; F21-W25 HydrophobicContact CD1-CE3 4.37Å; F21-W25 AromaticContact CD2-CE3 3.49Å; F21-W25 HydrophobicContact CD2-CE3 3.49Å; F21-W25 VanDerWaalsContact CD2-CE3 3.49Å; F21-W25 HydrophobicContact CD2-CH2 4.45Å; F21-W25 AromaticContact CD2-CZ3 3.31Å; F21-W25 HydrophobicContact CD2-CZ3 3.31Å; F21-W25 HydrophobicContact CE1-CE3 4.43Å; F21-W25 AromaticContact CE2-CE3 3.53Å; F21-W25 HydrophobicContact CE2-CE3 3.53Å; F21-W25 HydrophobicContact CE2-CH2 4.48Å; F21-W25 AromaticContact CE2-CZ3 3.55Å; F21-W25 HydrophobicContact CE2-CZ3 3.55Å; F21-W25 AromaticContact CG-CE3 3.91Å; F21-W25 HydrophobicContact CG-CE3 3.91Å; F21-W25 HydrophobicContact CG-CZ3 4.06Å; F21-W25 HydrophobicContact CZ-CE3 4.02Å; F21-W25 HydrophobicContact CZ-CZ3 4.47Å; F21-W25 PolarHBondContact O-N 3.34Å; F21-W25 VanDerWaalsContact O-N 3.1Å; F21-L28 HydrophobicContact CE1-CD1 3.55Å; F21-L28 HydrophobicContact CZ-CD1 3.87Å
22F97.4Very high94Very high36 Ų3676.4 Ų76.416%0.15840%0.396CS..Hα-helixtrans-71.7-21.3-179.1-67.4-60.3000113.8L18 R24 W25 P26 L28 L29 P217 F218L18-F22 HydrophobicContact CB-CD2 4.34Å; L18-F22 HydrophobicContact CB-CE2 4.37Å; L18-F22 HydrophobicContact CD2-CE2 3.99Å; L18-F22 WeakPolarHBondContact O-CD2 3.32Å; L18-F22 PolarHBondContact O-N 3.49Å; F22-R24 VanDerWaalsContact C-N 3.25Å; F22-R24 PolarHBondContact O-N 2.91Å; F22-W25 CarbonylContact O-C 3.56Å; F22-W25 PolarHBondContact O-N 2.93Å; F22-P26 WeakPolarHBondContact O-CA 3.17Å; F22-L28 HydrophobicContact CD1-CB 4.22Å; F22-L28 HydrophobicContact CD1-CD1 4.46Å; F22-L28 HydrophobicContact CE1-CB 4.06Å; F22-L28 HydrophobicContact CE1-CD1 4.26Å; F22-L29 HydrophobicContact CB-CD1 3.81Å; F22-L29 HydrophobicContact CD1-CD1 3.72Å; F22-L29 HydrophobicContact CD1-CD2 4.22Å; F22-L29 HydrophobicContact CD1-CG 3.63Å; F22-L29 HydrophobicContact CD2-CD1 3.93Å; F22-L29 HydrophobicContact CE1-CD1 4.22Å; F22-L29 HydrophobicContact CE1-CD2 3.93Å; F22-L29 HydrophobicContact CE1-CG 3.86Å; F22-L29 HydrophobicContact CE2-CD1 4.4Å; F22-L29 HydrophobicContact CG-CD1 3.55Å; F22-L29 HydrophobicContact CG-CG 4.04Å; F22-L29 HydrophobicContact CZ-CD2 4.16Å; F22-L29 HydrophobicContact CZ-CG 4.44Å; F22-P217 HydrophobicContact CB-CB 3.53Å; F22-P217 HydrophobicContact CB-CG 4.33Å; F22-F218 AromaticContact CD2-CE1 3.57Å; F22-F218 HydrophobicContact CD2-CE1 3.57Å; F22-F218 AromaticContact CD2-CZ 3.89Å; F22-F218 HydrophobicContact CD2-CZ 3.89Å; F22-F218 HydrophobicContact CE2-CE1 4.1Å; F22-F218 HydrophobicContact CG-CE1 4.38Å
23L96.3Very high93.4Very high34 Ų3480.1 Ų80.118%0.17840%0.402CS..Hα-helixtrans-62.7-36.2169.4-172.374.9000111.1S19 I20 F21 Y211 L216 P217 H266S19-L23 WeakPolarHBondContact O-CB 3.44Å; S19-L23 PolarHBondContact O-N 3.29Å; I20-L23 PolarHBondContact O-N 3.39Å; F21-L23 VanDerWaalsContact C-N 3.28Å; F21-L23 PolarHBondContact O-N 3.4Å; L23-Y211 HydrophobicContact CD1-CD2 4.09Å; L23-Y211 HydrophobicContact CD1-CE2 4.17Å; L23-Y211 HydrophobicContact CD2-CE2 4.05Å; L23-L216 HydrophobicContact CD1-CD2 4.37Å; L23-P217 HydrophobicContact CB-CG 3.86Å; L23-P217 HydrophobicContact CD1-CG 4.14Å; L23-H266 HydrophobicContact CD1-CB 4.11Å; L23-H266 PolarHBondContact O-ND1 3.48Å
24R95.2Very high92.7Very high146 Ų14682 Ų8255%0.55141%0.414SS*.Hα-helixtrans-86.4-20.6-179.9-167.7168.7-179.5114.9-2.3113.9I20 F21 F22I20-R24 PolarHBondContact O-N 2.96Å; F21-R24 PolarHBondContact O-N 3.4Å; F22-R24 VanDerWaalsContact C-N 3.25Å; F22-R24 PolarHBondContact O-N 2.91Å
25W95.1Very high92.2Very high103 Ų10380.3 Ų80.339%0.3940%0.402SS..  trans-133.964.8179.4-60.3-70.4000111.7F21 F22 H27 L28F21-W25 HydrophobicContact CD1-CE3 4.37Å; F21-W25 AromaticContact CD2-CE3 3.49Å; F21-W25 HydrophobicContact CD2-CE3 3.49Å; F21-W25 VanDerWaalsContact CD2-CE3 3.49Å; F21-W25 HydrophobicContact CD2-CH2 4.45Å; F21-W25 AromaticContact CD2-CZ3 3.31Å; F21-W25 HydrophobicContact CD2-CZ3 3.31Å; F21-W25 HydrophobicContact CE1-CE3 4.43Å; F21-W25 AromaticContact CE2-CE3 3.53Å; F21-W25 HydrophobicContact CE2-CE3 3.53Å; F21-W25 HydrophobicContact CE2-CH2 4.48Å; F21-W25 AromaticContact CE2-CZ3 3.55Å; F21-W25 HydrophobicContact CE2-CZ3 3.55Å; F21-W25 AromaticContact CG-CE3 3.91Å; F21-W25 HydrophobicContact CG-CE3 3.91Å; F21-W25 HydrophobicContact CG-CZ3 4.06Å; F21-W25 HydrophobicContact CZ-CE3 4.02Å; F21-W25 HydrophobicContact CZ-CZ3 4.47Å; F21-W25 PolarHBondContact O-N 3.34Å; F21-W25 VanDerWaalsContact O-N 3.1Å; F22-W25 CarbonylContact O-C 3.56Å; F22-W25 PolarHBondContact O-N 2.93Å; W25-H27 AromaticContact CD1-CE1 3.71Å; W25-H27 PolarHBondContact O-N 3.47Å; W25-L28 HydrophobicContact CB-CD1 3.85Å; W25-L28 HydrophobicContact CB-CG 4.15Å; W25-L28 PolarHBondContact O-N 2.94Å
26P94.7Very high92Very high1 Ų180.7 Ų80.71%0.00641%0.413CS..G310 helixtrans-63.8-23.8-176.623.9-32.7000113.8F22 L28 L29 H30 E269 R270F22-P26 WeakPolarHBondContact O-CA 3.17Å; P26-L28 PolarHBondContact O-N 2.87Å; P26-L28 VanDerWaalsContact O-N 3.16Å; P26-L29 PolarHBondContact O-N 3.45Å; P26-H30 PolarHBondContact O-N 2.91Å; P26-E269 WeakPolarHBondContact CD-OE2 3.42Å; P26-E269 HydrophobicContact CG-CB 3.67Å; P26-R270 HydrophobicContact CB-CG 3.54Å; P26-R270 HydrophobicContact CG-CG 3.94Å
27H92.7Very high91.9Very high107 Ų10780.1 Ų80.150%0.49540%0.402SS..G310 helixtrans-63.6-18.2179.960.4-96.6000113.8W25 L29 H30W25-H27 AromaticContact CD1-CE1 3.71Å; W25-H27 PolarHBondContact O-N 3.47Å; H27-L29 VanDerWaalsContact C-N 3.28Å; H27-H30 VanDerWaalsContact CA-O 3.27Å; H27-H30 WeakPolarHBondContact CA-O 3.44Å
28L94.1Very high91.8Very high97 Ų9779.8 Ų79.851%0.50839%0.393SS..G310 helixtrans-71.9-24.3174.3-61.6178000112.5F21 F22 W25 P26F21-L28 HydrophobicContact CE1-CD1 3.55Å; F21-L28 HydrophobicContact CZ-CD1 3.87Å; F22-L28 HydrophobicContact CD1-CB 4.22Å; F22-L28 HydrophobicContact CD1-CD1 4.46Å; F22-L28 HydrophobicContact CE1-CB 4.06Å; F22-L28 HydrophobicContact CE1-CD1 4.26Å; W25-L28 HydrophobicContact CB-CD1 3.85Å; W25-L28 HydrophobicContact CB-CG 4.15Å; W25-L28 PolarHBondContact O-N 2.94Å; P26-L28 PolarHBondContact O-N 2.87Å; P26-L28 VanDerWaalsContact O-N 3.16Å
29L93.5Very high91.8Very high76 Ų7675.6 Ų75.640%0.39837%0.371SS..THydrogen-bonded Turntrans-110.4-26.7179.2-64.3-178000113F22 P26 H27 P217 F218F22-L29 HydrophobicContact CB-CD1 3.81Å; F22-L29 HydrophobicContact CD1-CD1 3.72Å; F22-L29 HydrophobicContact CD1-CD2 4.22Å; F22-L29 HydrophobicContact CD1-CG 3.63Å; F22-L29 HydrophobicContact CD2-CD1 3.93Å; F22-L29 HydrophobicContact CE1-CD1 4.22Å; F22-L29 HydrophobicContact CE1-CD2 3.93Å; F22-L29 HydrophobicContact CE1-CG 3.86Å; F22-L29 HydrophobicContact CE2-CD1 4.4Å; F22-L29 HydrophobicContact CG-CD1 3.55Å; F22-L29 HydrophobicContact CG-CG 4.04Å; F22-L29 HydrophobicContact CZ-CD2 4.16Å; F22-L29 HydrophobicContact CZ-CG 4.44Å; P26-L29 PolarHBondContact O-N 3.45Å; H27-L29 VanDerWaalsContact C-N 3.28Å; L29-P217 WeakPolarHBondContact CD1-O 3.38Å; L29-F218 HydrophobicContact CD1-CD1 3.75Å; L29-F218 HydrophobicContact CD1-CE1 3.96Å
30H92.6Very high91.8Very high38 Ų3878.6 Ų78.618%0.17638%0.381CS..  trans-130.9133.8-172.8-57-82.6000110.7P26 H27 P32 P217 R270P26-H30 PolarHBondContact O-N 2.91Å; H27-H30 VanDerWaalsContact CA-O 3.27Å; H27-H30 WeakPolarHBondContact CA-O 3.44Å; H30-P32 WeakPolarHBondContact O-CD 3.35Å; H30-P217 PolarHBondContact NE2-O 2.94Å; H30-R270 PolarHBondContact CE1-NH2 2.97Å; H30-R270 PolarHBondContact ND1-NH2 2.89Å; H30-R270 VanDerWaalsContact ND1-NH2 3.16Å; H30-R270 PolarHBondContact NE2-NH2 3.23Å
31T86.8Confident91.9Very high125 Ų12573.2 Ų73.277%0.76735%0.353SS*.  trans-79.2119.9167.7-48.60000109.3R33T31-R33 PolarHBondContact O-N 3.39Å
32P78.3Confident92Very high65 Ų6569 Ų6942%0.42234%0.335SS..  trans-64.6131.7176.825.6-31.4000109.6H30H30-P32 WeakPolarHBondContact O-CD 3.35Å
33R79.9Confident92Very high191 Ų19167.3 Ų67.372%0.72133%0.327SS*.  trans-119.486.1168.2-69.8-176-172.5177.51.2106.8T31 K224T31-R33 PolarHBondContact O-N 3.39Å; R33-K224 WeakPolarHBondContact O-CD 3.25Å; R33-K224 WeakPolarHBondContact O-CE 3.35Å; R33-K224 PolarHBondContact O-NZ 2.93Å
34A78.5Confident92.1Very high76 Ų7666.3 Ų66.363%0.62832%0.322SS*.  trans-67.3148.5176.100000110
35P85.9Confident92.2Very high26 Ų2659.5 Ų59.517%0.16930%0.296CS..  trans-63.1160.4171.5-22.837.7000111.2F37 K224 F225 G271 Q273P35-F37 PolarHBondContact O-N 3.44Å; P35-K224 HydrophobicContact CG-CB 3.95Å; P35-K224 HydrophobicContact CG-CD 4.46Å; P35-K224 HydrophobicContact CG-CG 4.46Å; P35-F225 HydrophobicContact CB-CE2 4.12Å; P35-F225 HydrophobicContact CB-CZ 3.65Å; P35-F225 HydrophobicContact CG-CE1 4.32Å; P35-F225 HydrophobicContact CG-CE2 3.96Å; P35-F225 HydrophobicContact CG-CZ 3.67Å; P35-G271 WeakPolarHBondContact CD-O 3.47Å; P35-Q273 HydrophobicContact CG-CG 4.34Å
36T90.4Very high92.1Very high87 Ų8754.6 Ų54.653%0.53428%0.277SS..SBendtrans-71.5-11.5-178.253.20000113.8E173T36-E173 HydrophobicContact CG2-CB 4.21Å; T36-E173 WeakPolarHBondContact CG2-OE2 3.47Å; T36-E173 PolarHBondContact OG1-O 3.49Å
37F94.5Very high92.2Very high32 Ų3254.6 Ų54.614%0.1428%0.277CS..SBendtrans-133.8159.8177.761.6-83.9000110.6P35 V39 L69 P146 I174 I176 F225 Q273P35-F37 PolarHBondContact O-N 3.44Å; F37-V39 HydrophobicContact CD2-CG2 3.76Å; F37-V39 HydrophobicContact CE2-CG2 3.54Å; F37-L69 HydrophobicContact CE2-CD1 4.25Å; F37-P146 HydrophobicContact CB-CG 3.93Å; F37-P146 HydrophobicContact CD1-CB 4.11Å; F37-P146 HydrophobicContact CD1-CG 3.91Å; F37-P146 HydrophobicContact CD2-CB 3.64Å; F37-P146 HydrophobicContact CD2-CG 3.52Å; F37-P146 HydrophobicContact CE1-CB 3.98Å; F37-P146 HydrophobicContact CE1-CG 4.3Å; F37-P146 HydrophobicContact CE2-CB 3.46Å; F37-P146 VanDerWaalsContact CE2-CB 3.46Å; F37-P146 HydrophobicContact CE2-CG 3.93Å; F37-P146 HydrophobicContact CG-CB 3.95Å; F37-P146 HydrophobicContact CG-CG 3.51Å; F37-P146 HydrophobicContact CZ-CB 3.63Å; F37-P146 HydrophobicContact CZ-CG 4.28Å; F37-I174 HydrophobicContact CD1-CG2 4.2Å; F37-I176 HydrophobicContact CE2-CD1 4.3Å; F37-I176 HydrophobicContact CZ-CD1 3.84Å; F37-I176 HydrophobicContact CZ-CG1 3.97Å; F37-F225 AromaticContact CE1-CZ 3.94Å; F37-F225 HydrophobicContact CE1-CZ 3.94Å; F37-F225 AromaticContact CE2-CE1 3.78Å; F37-F225 HydrophobicContact CE2-CE1 3.78Å; F37-F225 AromaticContact CE2-CZ 3.6Å; F37-F225 HydrophobicContact CE2-CZ 3.6Å; F37-F225 AromaticContact CZ-CE1 3.91Å; F37-F225 HydrophobicContact CZ-CE1 3.91Å; F37-F225 HydrophobicContact CZ-CE2 4.01Å; F37-F225 AromaticContact CZ-CZ 3.26Å; F37-F225 HydrophobicContact CZ-CZ 3.26Å; F37-Q273 PolarHBondContact O-NE2 3.42Å
38R95.1Very high92.4Very high135 Ų13549.8 Ų49.851%0.50926%0.256SS..  trans-115.7135.3175.3-167.8175.7-168.9175.96.7109.9E268R38-E268 IonicContact CZ-OE1 2.92Å; R38-E268 IonicContact NH2-OE1 2.75Å; R38-E268 PolarHBondContact NH2-OE1 3.22Å
39V96.9Very high92.5Very high0 Ų045.6 Ų45.60%024%0.236CC..  trans-104.1112.7-179-176.50000108.6F37 A42 L69 F225 V275 T294 G295F37-V39 HydrophobicContact CD2-CG2 3.76Å; F37-V39 HydrophobicContact CE2-CG2 3.54Å; V39-A42 HydrophobicContact CG1-CB 3.9Å; V39-L69 HydrophobicContact CG1-CB 3.89Å; V39-L69 HydrophobicContact CG1-CD2 4.15Å; V39-L69 HydrophobicContact CG2-CB 4.06Å; V39-L69 HydrophobicContact CG2-CD2 4.19Å; V39-F225 HydrophobicContact CG2-CE1 4Å; V39-V275 HydrophobicContact CB-CG2 4.09Å; V39-V275 HydrophobicContact CG1-CG2 3.96Å; V39-T294 CarbonylContact O-C 3.55Å; V39-G295 WeakPolarHBondContact O-CA 3.43Å; V39-G295 PolarHBondContact O-N 3.35Å
40R97.3Very high92.6Very high75 Ų7544.2 Ų44.228%0.28323%0.227SC..SBendtrans-105.1-38.9166.4-64.3-170.668.1-171.6-1.5111.2D68 G295 V296 L308R40-D68 WeakPolarHBondContact CA-OD2 3.49Å; R40-D68 WeakPolarHBondContact CB-OD2 3.28Å; R40-D68 PolarHBondContact N-OD2 2.96Å; R40-G295 VanDerWaalsContact O-CA 3.25Å; R40-G295 WeakPolarHBondContact O-CA 3.45Å; R40-V296 PolarHBondContact O-N 3.03Å; R40-L308 HydrophobicContact CB-CD1 4.35Å
41L98.2Very high92.9Very high0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-120.9115.9177.2-166.7177.8000108.6S67 D68 L69 P301 L304 R305 L308L41-S67 PolarHBondContact O-OG 3.5Å; L41-D68 PolarHBondContact N-OD2 3.04Å; L41-D68 WeakPolarHBondContact O-CB 3.41Å; L41-D68 PolarHBondContact O-N 2.93Å; L41-L69 PolarHBondContact O-N 3.12Å; L41-P301 HydrophobicContact CD2-CB 4.19Å; L41-L304 HydrophobicContact CB-CD2 4.19Å; L41-L304 HydrophobicContact CB-CG 4.48Å; L41-L304 HydrophobicContact CD1-CG 4.48Å; L41-L304 HydrophobicContact CD2-CD2 4.38Å; L41-L304 HydrophobicContact CG-CB 4.33Å; L41-L304 HydrophobicContact CG-CD2 3.75Å; L41-L304 HydrophobicContact CG-CG 3.93Å; L41-R305 HydrophobicContact CD1-CB 4.03Å; L41-L308 HydrophobicContact CB-CD1 4.03Å
42A98.4Very high93.4Very high0 Ų037.8 Ų37.80%019%0.19CC..EExtended strand (participates in β ladder)trans-110.8129.9167.900000110.2V39 H44 L69 V296 M297 T298V39-A42 HydrophobicContact CG1-CB 3.9Å; A42-H44 PolarHBondContact O-N 3.07Å; A42-L69 CarbonylContact C-O 3.56Å; A42-L69 VanDerWaalsContact CA-O 3.3Å; A42-L69 WeakPolarHBondContact CA-O 3.44Å; A42-L69 HydrophobicContact CB-CB 3.91Å; A42-L69 HydrophobicContact CB-CD2 3.94Å; A42-L69 HydrophobicContact CB-CG 4.29Å; A42-V296 PolarHBondContact N-O 3.49Å; A42-M297 HydrophobicContact CB-CB 3.86Å; A42-M297 HydrophobicContact CB-CE 4.05Å; A42-M297 HydrophobicContact CB-CG 4.04Å; A42-M297 VanDerWaalsContact O-CA 3.26Å; A42-M297 WeakPolarHBondContact O-CA 3.21Å; A42-T298 PolarHBondContact O-N 3.28Å
43A98.3Very high94.2Very high0 Ų035 Ų350%017%0.171CC..EExtended strand (participates in β ladder)trans-89.3108177.100000109.5R45 G46 S62 S67 L69 L70 E71 P301A43-R45 PolarHBondContact O-N 3.5Å; A43-G46 PolarHBondContact O-N 2.92Å; A43-S62 VanDerWaalsContact CB-OG 3.26Å; A43-S62 WeakPolarHBondContact CB-OG 3.48Å; A43-S67 PolarHBondContact N-OG 3.01Å; A43-L69 PolarHBondContact N-O 3.44Å; A43-L70 HydrophobicContact CB-CD2 3.97Å; A43-E71 PolarHBondContact O-N 3.1Å; A43-P301 HydrophobicContact CB-CG 3.85Å
44H97.8Very high94.8Very high12 Ų1225.9 Ų25.96%0.05614%0.137CC..G310 helixtrans-65.9123.2177.4-177.9-119.2000109.6A42 G46 G47 S48 E71 F119 M297 T298 D299A42-H44 PolarHBondContact O-N 3.07Å; H44-G46 PolarHBondContact O-N 3.35Å; H44-G47 PolarHBondContact O-N 3.25Å; H44-S48 PolarHBondContact O-N 3.28Å; H44-S48 PolarHBondContact O-OG 3.05Å; H44-E71 IonicContact CD2-OE2 2.76Å; H44-E71 PolarHBondContact CD2-OE2 2.85Å; H44-E71 IonicContact NE2-OE2 3.14Å; H44-F119 AromaticContact CE1-CD2 3.6Å; H44-F119 AromaticContact CE1-CE2 3.39Å; H44-F119 WeakPolarHBondContact CE1-CE2 3.31Å; H44-F119 AromaticContact NE2-CE2 3.7Å; H44-M297 HydrophobicContact CB-CG 3.82Å; H44-M297 HydrophobicContact CB-SD 4.44Å; H44-T298 WeakPolarHBondContact CB-O 3.37Å; H44-T298 PolarHBondContact N-O 2.9Å; H44-D299 IonicContact CE1-OD1 3.05Å; H44-D299 IonicContact CG-OD1 2.96Å; H44-D299 IonicContact ND1-OD1 3.71Å; H44-D299 PolarHBondContact ND1-OD1 3.5Å
45R96.3Very high95.7Very high4 Ų422.3 Ų22.32%0.01511%0.107CC..G310 helixtrans47.331-173.4-52.6-177.7-176.9175.86.7115A43 E53 S54 E71 D73 H86A43-R45 PolarHBondContact O-N 3.5Å; R45-E53 HydrophobicContact CB-CB 4.1Å; R45-E53 IonicContact NH1-OE1 3.79Å; R45-E53 IonicContact NH1-OE2 2.7Å; R45-E53 PolarHBondContact NH1-OE2 3.35Å; R45-S54 PolarHBondContact O-N 3.48Å; R45-E71 WeakPolarHBondContact CA-O 3.33Å; R45-E71 PolarHBondContact N-O 3.02Å; R45-E71 VanDerWaalsContact N-O 3.12Å; R45-E71 PolarHBondContact N-OE2 2.82Å; R45-D73 IonicContact NE-OD2 3.72Å; R45-D73 PolarHBondContact NE-OD2 2.86Å; R45-H86 PolarHBondContact NH2-CD2 3.13Å; R45-H86 PolarHBondContact NH2-CE1 3.48Å; R45-H86 PolarHBondContact NH2-ND1 3.18Å; R45-H86 PolarHBondContact NH2-NE2 3.17Å
46G94.9Very high96.3Very high0 Ų022.8 Ų22.80%011%0.107CC..G310 helixtrans78.618.7-175.600000115.5A43 H44 A58 M59 S62A43-G46 PolarHBondContact O-N 2.92Å; H44-G46 PolarHBondContact O-N 3.35Å; G46-A58 CarbonylContact O-C 3.51Å; G46-A58 WeakPolarHBondContact O-CB 3.22Å; G46-M59 WeakPolarHBondContact CA-SD 3.48Å; G46-S62 PolarHBondContact O-OG 3.41Å
47G96.4Very high96.7Very high0 Ų021 Ų210%09%0.093CC..THydrogen-bonded Turntrans92.748.6179.900000112.7H44 G49 E50 L51 D299H44-G47 PolarHBondContact O-N 3.25Å; G47-G49 PolarHBondContact O-N 2.72Å; G47-E50 PolarHBondContact O-N 2.92Å; G47-L51 PolarHBondContact O-N 2.75Å; G47-D299 CarbonylContact C-O 3.47Å; G47-D299 WeakPolarHBondContact CA-O 2.85Å
48S96.1Very high96.8Very high6 Ų619.5 Ų19.54%0.0429%0.086CC..THydrogen-bonded Turntrans-62.4-8.2-171.236.30000116.5H44 L51 A125 D299H44-S48 PolarHBondContact O-N 3.28Å; H44-S48 PolarHBondContact O-OG 3.05Å; S48-L51 CarbonylContact C-O 3.55Å; S48-L51 WeakPolarHBondContact CA-O 3.33Å; S48-A125 WeakPolarHBondContact O-CB 3.46Å; S48-D299 PolarHBondContact OG-OD1 3.2Å
49G95.8Very high97Very high9 Ų913.1 Ų13.19%0.0936%0.062CC..THydrogen-bonded Turntrans-88.1-21.2175.200000113.4G47 D299 Y300G47-G49 PolarHBondContact O-N 2.72Å; G49-D299 VanDerWaalsContact CA-O 3.29Å; G49-D299 WeakPolarHBondContact CA-O 3.19Å; G49-D299 PolarHBondContact N-O 3.48Å; G49-Y300 VanDerWaalsContact C-CE1 3.45Å; G49-Y300 WeakPolarHBondContact O-CE1 3.37Å
50E96.9Very high97Very high47 Ų4716.5 Ų16.522%0.228%0.078CC..THydrogen-bonded Turntrans-99.4-37.3-177.5-67.6178.4-168.600112.1G47 N61 Y300 P301 T302G47-E50 PolarHBondContact O-N 2.92Å; E50-N61 PolarHBondContact OE2-ND2 3.42Å; E50-Y300 HydrophobicContact CG-CD1 3.87Å; E50-Y300 VanDerWaalsContact OE1-CA 3.24Å; E50-Y300 WeakPolarHBondContact OE1-CA 3.38Å; E50-P301 VanDerWaalsContact OE1-N 3.14Å; E50-T302 VanDerWaalsContact CD-OG1 3.29Å; E50-T302 WeakPolarHBondContact OE1-CA 3.43Å; E50-T302 WeakPolarHBondContact OE1-CB 3.37Å; E50-T302 PolarHBondContact OE1-N 3.42Å; E50-T302 PolarHBondContact OE1-OG1 2.86Å; E50-T302 PolarHBondContact OE2-OG1 2.72Å
51L97.5Very high97.1Very high29 Ų2914.9 Ų14.915%0.1528%0.075CC..SBendtrans-142.6166.2-178.6-70.2166.2000110.6G47 S48 E53 E57 A58 N61 H126G47-L51 PolarHBondContact O-N 2.75Å; S48-L51 CarbonylContact C-O 3.55Å; S48-L51 WeakPolarHBondContact CA-O 3.33Å; L51-E53 PolarHBondContact O-N 2.94Å; L51-E57 HydrophobicContact CD1-CG 3.94Å; L51-E57 WeakPolarHBondContact CD1-O 3.38Å; L51-E57 HydrophobicContact CD2-CG 4.41Å; L51-A58 HydrophobicContact CB-CB 3.83Å; L51-N61 HydrophobicContact CD1-CB 3.4Å; L51-H126 WeakPolarHBondContact CA-O 3.44Å; L51-H126 WeakPolarHBondContact CD2-O 3.46Å
52L97.1Very high97.1Very high0 Ų014.9 Ų14.90%08%0.075CC..  trans-56.1124.7179.8-65-179.7000111.3T55 A58 L115 A125 R130L52-T55 HydrophobicContact CB-CG2 3.84Å; L52-T55 WeakPolarHBondContact O-CG2 3.46Å; L52-T55 PolarHBondContact O-OG1 2.94Å; L52-A58 VanDerWaalsContact O-CB 3.3Å; L52-A58 WeakPolarHBondContact O-CB 3.37Å; L52-L115 HydrophobicContact CD2-CB 3.98Å; L52-L115 HydrophobicContact CD2-CD1 4.05Å; L52-L115 HydrophobicContact CD2-CG 3.86Å; L52-A125 VanDerWaalsContact CD2-O 3.29Å; L52-A125 WeakPolarHBondContact CD2-O 3.38Å; L52-R130 HydrophobicContact CD1-CG 3.81Å
53E95.3Very high97.1Very high5 Ų517.2 Ų17.22%0.0239%0.086CC..THydrogen-bonded Turntrans-52.6146.4-178.162.2174.8-126.200112.6R45 L51 T55 R92 Q93 Y111 L115R45-E53 HydrophobicContact CB-CB 4.1Å; R45-E53 IonicContact NH1-OE1 3.79Å; R45-E53 IonicContact NH1-OE2 2.7Å; R45-E53 PolarHBondContact NH1-OE2 3.35Å; L51-E53 PolarHBondContact O-N 2.94Å; E53-T55 PolarHBondContact O-N 3.06Å; E53-T55 VanDerWaalsContact O-N 3.16Å; E53-R92 IonicContact OE1-CZ 3.1Å; E53-R92 IonicContact OE1-NH1 3.1Å; E53-R92 IonicContact OE1-NH2 2.88Å; E53-R92 PolarHBondContact OE1-NH2 3.39Å; E53-R92 IonicContact OE2-CZ 2.64Å; E53-R92 IonicContact OE2-NH1 3.66Å; E53-R92 PolarHBondContact OE2-NH1 2.99Å; E53-R92 IonicContact OE2-NH2 2.73Å; E53-R92 PolarHBondContact OE2-NH2 3.31Å; E53-Q93 PolarHBondContact OE1-NE2 3.44Å; E53-Y111 WeakPolarHBondContact O-CE2 3.27Å; E53-L115 HydrophobicContact CG-CD1 4.13Å
54S93.4Very high97.1Very high1 Ų120.4 Ų20.41%0.00711%0.113CC..THydrogen-bonded Turntrans58.125.2174.8-39.40000116.1R45 V84 Y111 V133R45-S54 PolarHBondContact O-N 3.48Å; S54-V84 WeakPolarHBondContact CB-O 3.44Å; S54-Y111 WeakPolarHBondContact CB-OH 3.45Å; S54-V133 WeakPolarHBondContact O-CG2 3.5Å; S54-V133 PolarHBondContact O-N 2.85Å
55T97.6Very high97.1Very high0 Ų021.9 Ų21.90%012%0.12CC..SBendtrans-101.9160.6172.162.70000111L52 E53 E57 A58 M59 Y111L52-T55 HydrophobicContact CB-CG2 3.84Å; L52-T55 WeakPolarHBondContact O-CG2 3.46Å; L52-T55 PolarHBondContact O-OG1 2.94Å; E53-T55 PolarHBondContact O-N 3.06Å; E53-T55 VanDerWaalsContact O-N 3.16Å; T55-E57 VanDerWaalsContact C-N 3.3Å; T55-A58 PolarHBondContact O-N 2.95Å; T55-A58 WeakPolarHBondContact OG1-CB 3.28Å; T55-A58 PolarHBondContact OG1-N 2.83Å; T55-M59 VanDerWaalsContact O-CG 3.29Å; T55-M59 WeakPolarHBondContact O-CG 3.15Å; T55-M59 PolarHBondContact O-N 3.09Å; T55-Y111 HydrophobicContact CG2-CD2 3.82Å; T55-Y111 HydrophobicContact CG2-CE2 3.86Å
56M98Very high97.2Very high37 Ų3727.9 Ų27.918%0.18214%0.143CC..Hα-helixtrans-69-36.5177.4-175.26271.500110.2A58 M59 E60 D129 V133 D137 L138 R141 F142M56-A58 PolarHBondContact O-N 3.34Å; M56-M59 PolarHBondContact O-N 3.07Å; M56-E60 HydrophobicContact CG-CG 4.24Å; M56-E60 WeakPolarHBondContact O-CB 3.36Å; M56-E60 WeakPolarHBondContact O-CG 3.4Å; M56-E60 PolarHBondContact O-N 3.34Å; M56-E60 HydrophobicContact SD-CG 4.4Å; M56-D129 PolarHBondContact N-OD2 3.48Å; M56-D129 VanDerWaalsContact N-OD2 3.07Å; M56-V133 HydrophobicContact CB-CG1 3.88Å; M56-V133 HydrophobicContact CE-CG1 4.44Å; M56-D137 HydrophobicContact CE-CB 4.08Å; M56-L138 HydrophobicContact CE-CD2 3.78Å; M56-L138 HydrophobicContact SD-CD2 3.94Å; M56-R141 HydrophobicContact CE-CB 4.22Å; M56-R141 HydrophobicContact CE-CG 4.41Å; M56-R141 HydrophobicContact SD-CB 4.28Å; M56-R141 HydrophobicContact SD-CG 3.89Å; M56-F142 HydrophobicContact SD-CE2 3.91Å; M56-F142 HydrophobicContact SD-CZ 4.33Å
57E98Very high97.3Very high50 Ų5028.2 Ų28.223%0.23415%0.145CC..Hα-helixtrans-57-46.2176.5-166-176.1-159.300111.7L51 T55 M59 E60 N61 G127 S128 D129L51-E57 HydrophobicContact CD1-CG 3.94Å; L51-E57 WeakPolarHBondContact CD1-O 3.38Å; L51-E57 HydrophobicContact CD2-CG 4.41Å; T55-E57 VanDerWaalsContact C-N 3.3Å; E57-M59 PolarHBondContact O-N 2.8Å; E57-E60 PolarHBondContact O-N 2.99Å; E57-N61 WeakPolarHBondContact O-CB 3.4Å; E57-N61 PolarHBondContact O-N 2.99Å; E57-G127 WeakPolarHBondContact OE2-CA 3.36Å; E57-S128 VanDerWaalsContact CD-OG 3.24Å; E57-S128 PolarHBondContact OE1-OG 3.38Å; E57-S128 PolarHBondContact OE2-N 3.03Å; E57-S128 PolarHBondContact OE2-OG 2.95Å; E57-D129 HydrophobicContact CB-CB 3.66Å; E57-D129 PolarHBondContact OE2-N 3.25Å
58A98.1Very high97.4Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-61.4-45176.500000112.1G46 L51 L52 T55 M56 E60 N61 S62G46-A58 CarbonylContact O-C 3.51Å; G46-A58 WeakPolarHBondContact O-CB 3.22Å; L51-A58 HydrophobicContact CB-CB 3.83Å; L52-A58 VanDerWaalsContact O-CB 3.3Å; L52-A58 WeakPolarHBondContact O-CB 3.37Å; T55-A58 PolarHBondContact O-N 2.95Å; T55-A58 WeakPolarHBondContact OG1-CB 3.28Å; T55-A58 PolarHBondContact OG1-N 2.83Å; M56-A58 PolarHBondContact O-N 3.34Å; A58-E60 PolarHBondContact O-N 2.87Å; A58-N61 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-N 3.16Å; A58-S62 PolarHBondContact O-OG 3.16Å
59M98.2Very high97.5Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-63.1-44178-59-67.8166.400111.6G46 T55 M56 E57 S62 M63 L70 L72 V84 L138 F142G46-M59 WeakPolarHBondContact CA-SD 3.48Å; T55-M59 VanDerWaalsContact O-CG 3.29Å; T55-M59 WeakPolarHBondContact O-CG 3.15Å; T55-M59 PolarHBondContact O-N 3.09Å; M56-M59 PolarHBondContact O-N 3.07Å; E57-M59 PolarHBondContact O-N 2.8Å; M59-S62 WeakPolarHBondContact O-CB 3.31Å; M59-S62 PolarHBondContact O-N 2.98Å; M59-M63 VanDerWaalsContact O-CG 3.29Å; M59-M63 WeakPolarHBondContact O-CG 3.27Å; M59-M63 PolarHBondContact O-N 2.85Å; M59-L70 HydrophobicContact CB-CD1 4.48Å; M59-L70 HydrophobicContact SD-CB 4.34Å; M59-L70 HydrophobicContact SD-CD1 3.91Å; M59-L70 HydrophobicContact SD-CD2 4.08Å; M59-L70 HydrophobicContact SD-CG 4.33Å; M59-L72 HydrophobicContact CE-CD2 3.2Å; M59-L72 HydrophobicContact SD-CD2 3.76Å; M59-V84 HydrophobicContact CE-CG1 4.45Å; M59-L138 HydrophobicContact CB-CD2 4.19Å; M59-L138 HydrophobicContact CE-CD1 4.38Å; M59-L138 HydrophobicContact CG-CD1 4.48Å; M59-L138 HydrophobicContact CG-CD2 3.77Å; M59-L138 HydrophobicContact SD-CD1 4.47Å; M59-F142 HydrophobicContact CB-CE2 3.76Å; M59-F142 HydrophobicContact CB-CZ 4.28Å
60E98.4Very high97.7Very high72 Ų7229.9 Ų29.934%0.33615%0.151SC..Hα-helixtrans-62.8-42.4177.1-75.1-173.2153.200112M56 E57 A58 M63 A64 R141 F142M56-E60 HydrophobicContact CG-CG 4.24Å; M56-E60 WeakPolarHBondContact O-CB 3.36Å; M56-E60 WeakPolarHBondContact O-CG 3.4Å; M56-E60 PolarHBondContact O-N 3.34Å; M56-E60 HydrophobicContact SD-CG 4.4Å; E57-E60 PolarHBondContact O-N 2.99Å; A58-E60 PolarHBondContact O-N 2.87Å; E60-M63 PolarHBondContact O-N 3.39Å; E60-A64 PolarHBondContact O-N 2.62Å; E60-R141 IonicContact OE1-CZ 3.64Å; E60-R141 VanDerWaalsContact OE1-CZ 3.24Å; E60-R141 IonicContact OE1-NE 3.93Å; E60-R141 PolarHBondContact OE1-NE 3.15Å; E60-R141 IonicContact OE1-NH2 3.43Å; E60-R141 PolarHBondContact OE1-NH2 3.09Å; E60-F142 HydrophobicContact CG-CZ 3.78Å
61N98.4Very high97.7Very high41 Ų4127.9 Ų27.922%0.21914%0.142CC..Hα-helixtrans-61.1-48174177.361.4000111.6E50 L51 E57 A58 M63 A64 Q65E50-N61 PolarHBondContact OE2-ND2 3.42Å; L51-N61 HydrophobicContact CD1-CB 3.4Å; E57-N61 WeakPolarHBondContact O-CB 3.4Å; E57-N61 PolarHBondContact O-N 2.99Å; A58-N61 PolarHBondContact O-N 3.32Å; N61-M63 VanDerWaalsContact C-N 3.27Å; N61-M63 PolarHBondContact O-N 2.91Å; N61-A64 WeakPolarHBondContact O-CB 3.19Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.07Å; N61-Q65 WeakPolarHBondContact O-CG 3.45Å; N61-Q65 PolarHBondContact O-N 2.88Å; N61-Q65 VanDerWaalsContact O-N 3.13Å
62S98.3Very high97.7Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-56.9-40.6175.4-74.60000112.8A43 G46 A58 M59 Q65 S67 P301A43-S62 VanDerWaalsContact CB-OG 3.26Å; A43-S62 WeakPolarHBondContact CB-OG 3.48Å; G46-S62 PolarHBondContact O-OG 3.41Å; A58-S62 PolarHBondContact O-N 3.16Å; A58-S62 PolarHBondContact O-OG 3.16Å; M59-S62 WeakPolarHBondContact O-CB 3.31Å; M59-S62 PolarHBondContact O-N 2.98Å; S62-Q65 PolarHBondContact O-N 3.04Å; S62-S67 VanDerWaalsContact O-CB 3.3Å; S62-S67 WeakPolarHBondContact O-CB 3.07Å; S62-S67 PolarHBondContact O-N 3.03Å; S62-S67 VanDerWaalsContact O-N 3.17Å; S62-P301 WeakPolarHBondContact OG-CG 3.28Å
63M98.4Very high97.7Very high48 Ų4826.6 Ų26.624%0.23614%0.135CC..Hα-helixtrans-70.3-33.5176.6-68.5-48.7-53.800112.7M59 E60 N61 Q65 R66 L70 F142 T145M59-M63 VanDerWaalsContact O-CG 3.29Å; M59-M63 WeakPolarHBondContact O-CG 3.27Å; M59-M63 PolarHBondContact O-N 2.85Å; E60-M63 PolarHBondContact O-N 3.39Å; N61-M63 VanDerWaalsContact C-N 3.27Å; N61-M63 PolarHBondContact O-N 2.91Å; M63-Q65 PolarHBondContact O-N 3.46Å; M63-R66 PolarHBondContact O-N 2.83Å; M63-L70 HydrophobicContact CG-CD1 4.44Å; M63-L70 HydrophobicContact SD-CD1 4.11Å; M63-L70 HydrophobicContact SD-CD2 4.1Å; M63-L70 HydrophobicContact SD-CG 4.16Å; M63-F142 HydrophobicContact CB-CE1 4.02Å; M63-F142 HydrophobicContact CG-CD1 3.8Å; M63-F142 HydrophobicContact CG-CE1 3.58Å; M63-F142 HydrophobicContact CG-CE2 4.46Å; M63-F142 HydrophobicContact CG-CG 4.32Å; M63-F142 HydrophobicContact CG-CZ 3.94Å; M63-T145 HydrophobicContact CE-CG2 3.85Å; M63-T145 VanDerWaalsContact CE-OG1 3.23Å; M63-T145 WeakPolarHBondContact CE-OG1 3.41Å; M63-T145 HydrophobicContact SD-CG2 3.49Å; M63-T145 WeakPolarHBondContact SD-CG2 3.45Å
64A98.3Very high97.8Very high68 Ų6826.4 Ų26.456%0.56214%0.135SC*.Hα-helixtrans-61.1-30.8171.200000112E60 N61 R66E60-A64 PolarHBondContact O-N 2.62Å; N61-A64 WeakPolarHBondContact O-CB 3.19Å; N61-A64 PolarHBondContact O-N 2.94Å; N61-A64 VanDerWaalsContact O-N 3.07Å; A64-R66 PolarHBondContact O-N 2.84Å
65Q98.1Very high98Very high42 Ų4227.2 Ų27.220%0.19614%0.138CC..THydrogen-bonded Turntrans-81.27.8172.8-53.8-48.8-40.900114.3N61 S62 M63 S67 P301 T302 R305N61-Q65 WeakPolarHBondContact O-CG 3.45Å; N61-Q65 PolarHBondContact O-N 2.88Å; N61-Q65 VanDerWaalsContact O-N 3.13Å; S62-Q65 PolarHBondContact O-N 3.04Å; M63-Q65 PolarHBondContact O-N 3.46Å; Q65-S67 VanDerWaalsContact C-N 3.34Å; Q65-S67 PolarHBondContact O-N 3.14Å; Q65-P301 HydrophobicContact CB-CB 4.11Å; Q65-P301 HydrophobicContact CG-CB 4.19Å; Q65-T302 VanDerWaalsContact CD-OG1 3.26Å; Q65-T302 WeakPolarHBondContact CG-OG1 3.43Å; Q65-T302 PolarHBondContact NE2-OG1 3.18Å; Q65-R305 HydrophobicContact CB-CB 4.13Å; Q65-R305 HydrophobicContact CB-CG 4.36Å; Q65-R305 WeakPolarHBondContact O-CD 3.27Å; Q65-R305 WeakPolarHBondContact O-CG 3.41Å
66R97.5Very high98Very high130 Ų13027.7 Ų27.749%0.49114%0.141SC..THydrogen-bonded Turntrans58.343.8-178.3-50.1-178-69.8-88.85.7112.1M63 A64 D68 R305 D309M63-R66 PolarHBondContact O-N 2.83Å; A64-R66 PolarHBondContact O-N 2.84Å; R66-D68 PolarHBondContact O-N 2.83Å; R66-R305 VanDerWaalsContact NH2-NE 3.13Å; R66-D309 IonicContact NH2-OD1 2.71Å; R66-D309 PolarHBondContact NH2-OD1 3.47Å; R66-D309 IonicContact NH2-OD2 2.85Å; R66-D309 PolarHBondContact NH2-OD2 3.43Å
67S98Very high98Very high7 Ų726.1 Ų26.15%0.04913%0.133CC..  trans-58135.3170.8-172.50000110.8L41 A43 S62 Q65 L69L41-S67 PolarHBondContact O-OG 3.5Å; A43-S67 PolarHBondContact N-OG 3.01Å; S62-S67 VanDerWaalsContact O-CB 3.3Å; S62-S67 WeakPolarHBondContact O-CB 3.07Å; S62-S67 PolarHBondContact O-N 3.03Å; S62-S67 VanDerWaalsContact O-N 3.17Å; Q65-S67 VanDerWaalsContact C-N 3.34Å; Q65-S67 PolarHBondContact O-N 3.14Å; S67-L69 PolarHBondContact OG-O 3.26Å
68D98.4Very high98Very high51 Ų5130.6 Ų30.627%0.27315%0.148SC..SBendtrans-86.3-21.6178.9-55.8-58.9000111.9R40 L41 R66 P146R40-D68 WeakPolarHBondContact CA-OD2 3.49Å; R40-D68 WeakPolarHBondContact CB-OD2 3.28Å; R40-D68 PolarHBondContact N-OD2 2.96Å; L41-D68 PolarHBondContact N-OD2 3.04Å; L41-D68 WeakPolarHBondContact O-CB 3.41Å; L41-D68 PolarHBondContact O-N 2.93Å; R66-D68 PolarHBondContact O-N 2.83Å; D68-P146 WeakPolarHBondContact O-CD 3.43Å; D68-P146 WeakPolarHBondContact O-CG 3.4Å
69L98.6Very high98Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-147.3130.7-176.9-178.671.8000109.9F37 V39 L41 A42 A43 S67 P146 I176 F227F37-L69 HydrophobicContact CE2-CD1 4.25Å; V39-L69 HydrophobicContact CG1-CB 3.89Å; V39-L69 HydrophobicContact CG1-CD2 4.15Å; V39-L69 HydrophobicContact CG2-CB 4.06Å; V39-L69 HydrophobicContact CG2-CD2 4.19Å; L41-L69 PolarHBondContact O-N 3.12Å; A42-L69 CarbonylContact C-O 3.56Å; A42-L69 VanDerWaalsContact CA-O 3.3Å; A42-L69 WeakPolarHBondContact CA-O 3.44Å; A42-L69 HydrophobicContact CB-CB 3.91Å; A42-L69 HydrophobicContact CB-CD2 3.94Å; A42-L69 HydrophobicContact CB-CG 4.29Å; A43-L69 PolarHBondContact N-O 3.44Å; S67-L69 PolarHBondContact OG-O 3.26Å; L69-P146 WeakPolarHBondContact CA-O 3.41Å; L69-P146 HydrophobicContact CD1-CB 3.91Å; L69-I176 HydrophobicContact CD1-CD1 3.74Å; L69-I176 HydrophobicContact CD2-CD1 4.19Å; L69-F227 HydrophobicContact CD2-CE1 4.04Å; L69-F227 HydrophobicContact CD2-CZ 3.83Å
70L98.6Very high98Very high0 Ų038.7 Ų38.70%019%0.186CC..EExtended strand (participates in β ladder)trans-95.5122.7165-59.3173000108.3A43 M59 M63 L72 F142 T145 P146 M147 S148A43-L70 HydrophobicContact CB-CD2 3.97Å; M59-L70 HydrophobicContact CB-CD1 4.48Å; M59-L70 HydrophobicContact SD-CB 4.34Å; M59-L70 HydrophobicContact SD-CD1 3.91Å; M59-L70 HydrophobicContact SD-CD2 4.08Å; M59-L70 HydrophobicContact SD-CG 4.33Å; M63-L70 HydrophobicContact CG-CD1 4.44Å; M63-L70 HydrophobicContact SD-CD1 4.11Å; M63-L70 HydrophobicContact SD-CD2 4.1Å; M63-L70 HydrophobicContact SD-CG 4.16Å; L70-L72 HydrophobicContact CB-CD2 4.32Å; L70-F142 HydrophobicContact CD1-CD2 4.27Å; L70-T145 HydrophobicContact CD1-CG2 4Å; L70-T145 HydrophobicContact CG-CG2 3.98Å; L70-P146 PolarHBondContact N-O 2.89Å; L70-P146 VanDerWaalsContact N-O 3.09Å; L70-M147 HydrophobicContact CB-CG 4.26Å; L70-M147 HydrophobicContact CD1-CE 4.14Å; L70-M147 CarbonylContact O-C 3.41Å; L70-M147 VanDerWaalsContact O-CA 3.26Å; L70-M147 WeakPolarHBondContact O-CA 3.48Å; L70-S148 PolarHBondContact O-N 2.56Å
71E98.1Very high98Very high5 Ų537 Ų372%0.02318%0.181CC..EExtended strand (participates in β ladder)trans-93.7130.5173.3-173.9-73.9141.500109A43 H44 R45 M297A43-E71 PolarHBondContact O-N 3.1Å; H44-E71 IonicContact CD2-OE2 2.76Å; H44-E71 PolarHBondContact CD2-OE2 2.85Å; H44-E71 IonicContact NE2-OE2 3.14Å; R45-E71 WeakPolarHBondContact CA-O 3.33Å; R45-E71 PolarHBondContact N-O 3.02Å; R45-E71 VanDerWaalsContact N-O 3.12Å; R45-E71 PolarHBondContact N-OE2 2.82Å; E71-M297 HydrophobicContact CB-CE 3.74Å; E71-M297 HydrophobicContact CB-SD 4.05Å; E71-M297 HydrophobicContact CG-CE 3.61Å; E71-M297 HydrophobicContact CG-SD 3.78Å
72L96.9Very high98Very high0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-138.5123.2-167-53175.8000109.7M59 L70 V84 L135 L138 M147 S148 V149 E150M59-L72 HydrophobicContact CE-CD2 3.2Å; M59-L72 HydrophobicContact SD-CD2 3.76Å; L70-L72 HydrophobicContact CB-CD2 4.32Å; L72-V84 HydrophobicContact CB-CG1 4.11Å; L72-V84 HydrophobicContact CD2-CG1 3.92Å; L72-L135 HydrophobicContact CD1-CD1 3.77Å; L72-L138 HydrophobicContact CD1-CD1 3.77Å; L72-L138 HydrophobicContact CD2-CD1 3.95Å; L72-M147 HydrophobicContact CD1-CB 4.11Å; L72-M147 HydrophobicContact CD1-CG 4.1Å; L72-M147 HydrophobicContact CD1-SD 3.84Å; L72-S148 PolarHBondContact N-O 3.24Å; L72-V149 CarbonylContact O-C 3.53Å; L72-V149 WeakPolarHBondContact O-CA 3.33Å; L72-E150 PolarHBondContact O-N 3.17Å
73D96.4Very high98Very high2 Ų235.3 Ų35.31%0.01117%0.172CC..EExtended strand (participates in β ladder)trans-84.7139.3162.3-61.5-77.6000110.1R45 V84 S85 H86 K152R45-D73 IonicContact NE-OD2 3.72Å; R45-D73 PolarHBondContact NE-OD2 2.86Å; D73-V84 CarbonylContact O-C 3.59Å; D73-V84 VanDerWaalsContact O-CA 3.29Å; D73-V84 WeakPolarHBondContact O-CA 3.39Å; D73-V84 WeakPolarHBondContact O-CG1 3.29Å; D73-S85 CarbonylContact C-O 3.58Å; D73-S85 WeakPolarHBondContact CB-O 3.46Å; D73-S85 PolarHBondContact O-N 3.15Å; D73-H86 VanDerWaalsContact CB-CA 3.42Å; D73-H86 HydrophobicContact CB-CB 4.06Å; D73-H86 IonicContact OD1-CD2 2.87Å; D73-H86 WeakPolarHBondContact OD2-CB 3.38Å; D73-H86 IonicContact OD2-CD2 2.75Å; D73-H86 PolarHBondContact OD2-CD2 2.91Å; D73-H86 IonicContact OD2-CG 3.69Å; D73-K152 WeakPolarHBondContact OD1-CE 3.3Å; D73-K152 IonicContact OD1-NZ 3.66Å
74C97.5Very high97.9Very high1 Ų133 Ų331%0.00716%0.161CC..EExtended strand (participates in β ladder)trans-121.7143.6-179.4-72.50000113.1V82 V83 V149 E150 L158 I162C74-V82 HydrophobicContact CB-CG1 4Å; C74-V83 WeakPolarHBondContact CA-O 3.12Å; C74-V149 HydrophobicContact CB-CG1 4.1Å; C74-E150 PolarHBondContact N-O 2.62Å; C74-E150 VanDerWaalsContact N-O 3.17Å; C74-L158 HydrophobicContact CB-CD1 4.35Å; C74-L158 WeakPolarHBondContact O-CD2 3.17Å; C74-I162 HydrophobicContact CB-CD1 3.95Å
75Q97.6Very high97.8Very high18 Ų1829.8 Ų29.88%0.08413%0.134CC..EExtended strand (participates in β ladder)trans-129.1164.8171.4-59.8-64.2-11.700109.6V83 S85 H86 V100Q75-V83 HydrophobicContact CB-CG2 4.07Å; Q75-V83 PolarHBondContact N-O 2.87Å; Q75-V83 PolarHBondContact O-N 3.45Å; Q75-S85 WeakPolarHBondContact CG-O 3.41Å; Q75-H86 PolarHBondContact NE2-O 2.7Å; Q75-V100 HydrophobicContact CB-CB 4.1Å; Q75-V100 HydrophobicContact CB-CG1 3.82Å; Q75-V100 HydrophobicContact CB-CG2 4.32Å; Q75-V100 HydrophobicContact CG-CG2 4.47Å
76L97.9Very high97.6Very high10 Ų1029.7 Ų29.75%0.05213%0.133CC..EExtended strand (participates in β ladder)trans-114.3130.9177.5-163.670.9000109.7K80 V82 G101 E157 L158 E161L76-K80 HydrophobicContact CD1-CB 4.44Å; L76-V82 HydrophobicContact CD1-CG2 3.9Å; L76-G101 WeakPolarHBondContact O-CA 3.47Å; L76-G101 PolarHBondContact O-N 3.39Å; L76-E157 HydrophobicContact CD2-CB 4Å; L76-E157 HydrophobicContact CD2-CG 3.73Å; L76-L158 HydrophobicContact CB-CB 4.16Å; L76-L158 HydrophobicContact CB-CD1 4.08Å; L76-L158 HydrophobicContact CD1-CD1 4.26Å; L76-E161 HydrophobicContact CD1-CB 4.31Å; L76-E161 HydrophobicContact CD1-CG 4.15Å
77T98.3Very high97.4Very high4 Ų425 Ų253%0.02512%0.118CC..  trans-77.7170170.760.30000111.3D79 K80 V81 V83 V100 L103 F105 L108T77-D79 VanDerWaalsContact C-N 3.28Å; T77-D79 WeakPolarHBondContact CB-OD1 3.35Å; T77-D79 PolarHBondContact O-N 2.74Å; T77-D79 PolarHBondContact OG1-OD1 3Å; T77-K80 PolarHBondContact O-N 2.86Å; T77-V81 PolarHBondContact N-O 2.79Å; T77-V81 VanDerWaalsContact N-O 3.08Å; T77-V81 WeakPolarHBondContact OG1-CA 3.44Å; T77-V81 WeakPolarHBondContact OG1-CB 3.43Å; T77-V81 PolarHBondContact OG1-N 2.8Å; T77-V81 PolarHBondContact OG1-O 3.39Å; T77-V81 VanDerWaalsContact OG1-O 3.12Å; T77-V83 HydrophobicContact CG2-CG1 3.66Å; T77-V83 HydrophobicContact CG2-CG2 4.14Å; T77-V100 HydrophobicContact CG2-CG1 4.03Å; T77-L103 WeakPolarHBondContact CB-O 3.45Å; T77-F105 HydrophobicContact CG2-CB 4.37Å; T77-L108 HydrophobicContact CG2-CD1 3.94Å
78R98Very high97.3Very high144 Ų14430.5 Ų30.554%0.54314%0.143SC..THydrogen-bonded Turntrans-61.5-36.6177.8-177.9179.668.6-171.92.6112.6K80 L103 D104R78-K80 PolarHBondContact O-N 3.32Å; R78-L103 WeakPolarHBondContact CB-O 3.35Å; R78-L103 PolarHBondContact N-O 2.94Å; R78-D104 WeakPolarHBondContact CB-OD1 3.35Å; R78-D104 IonicContact CZ-OD1 3.63Å; R78-D104 IonicContact CZ-OD2 3.34Å; R78-D104 IonicContact NE-OD1 3.34Å; R78-D104 PolarHBondContact NE-OD1 3.35Å; R78-D104 IonicContact NE-OD2 3.96Å; R78-D104 IonicContact NH2-OD1 3.21Å; R78-D104 PolarHBondContact NH2-OD1 2.85Å; R78-D104 VanDerWaalsContact NH2-OD1 3.14Å; R78-D104 IonicContact NH2-OD2 3.48Å; R78-D104 PolarHBondContact NH2-OD2 3.25Å
79D98.3Very high97.2Very high68 Ų6830.2 Ų30.236%0.36414%0.141SC..THydrogen-bonded Turntrans-83.914.3175.763.6-22.7000113.7T77 V81 D104 F105T77-D79 VanDerWaalsContact C-N 3.28Å; T77-D79 WeakPolarHBondContact CB-OD1 3.35Å; T77-D79 PolarHBondContact O-N 2.74Å; T77-D79 PolarHBondContact OG1-OD1 3Å; D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.96Å; D79-D104 HydrophobicContact CB-CB 4.15Å; D79-D104 WeakPolarHBondContact OD1-CA 3.44Å; D79-F105 PolarHBondContact OD1-N 2.95Å; D79-F105 PolarHBondContact OD2-N 3.45Å
80K97.9Very high97.2Very high102 Ų10230.2 Ų30.244%0.44314%0.141SC..  trans65.226.3174.1-47.4-173.2-173.2-1610115.1L76 T77 R78 E157L76-K80 HydrophobicContact CD1-CB 4.44Å; T77-K80 PolarHBondContact O-N 2.86Å; R78-K80 PolarHBondContact O-N 3.32Å; K80-E157 WeakPolarHBondContact CD-OE1 3.35Å; K80-E157 WeakPolarHBondContact CE-OE1 3.19Å; K80-E157 IonicContact NZ-OE1 3.67Å; K80-E157 PolarHBondContact NZ-OE1 3.44Å
81V98.5Very high97.1Very high35 Ų3537 Ų3721%0.21217%0.168CC..  trans-83126.4169.9-178.90000108.7T77 D79 V83 F105 R134T77-V81 PolarHBondContact N-O 2.79Å; T77-V81 VanDerWaalsContact N-O 3.08Å; T77-V81 WeakPolarHBondContact OG1-CA 3.44Å; T77-V81 WeakPolarHBondContact OG1-CB 3.43Å; T77-V81 PolarHBondContact OG1-N 2.8Å; T77-V81 PolarHBondContact OG1-O 3.39Å; T77-V81 VanDerWaalsContact OG1-O 3.12Å; D79-V81 VanDerWaalsContact C-N 3.3Å; D79-V81 PolarHBondContact O-N 2.96Å; V81-V83 HydrophobicContact CG1-CG1 4.25Å; V81-V83 PolarHBondContact O-N 2.86Å; V81-F105 HydrophobicContact CB-CB 3.95Å; V81-F105 HydrophobicContact CB-CG 4.42Å; V81-F105 HydrophobicContact CG1-CB 4.1Å; V81-F105 HydrophobicContact CG1-CD2 3.99Å; V81-F105 HydrophobicContact CG1-CG 4.01Å; V81-F105 HydrophobicContact CG2-CB 3.93Å; V81-R134 HydrophobicContact CG1-CB 4.21Å; V81-R134 HydrophobicContact CG1-CG 3.59Å
82V98.4Very high96.9Very high6 Ų640.2 Ų40.24%0.03618%0.18CC..EExtended strand (participates in β ladder)trans-77.5115173.9-176.80000108.9C74 L76 R134 L135 L158 E161 I162 L165C74-V82 HydrophobicContact CB-CG1 4Å; L76-V82 HydrophobicContact CD1-CG2 3.9Å; V82-R134 WeakPolarHBondContact O-CA 3.3Å; V82-L135 HydrophobicContact CB-CB 4.16Å; V82-L135 HydrophobicContact CG1-CB 3.82Å; V82-L135 HydrophobicContact CG1-CD2 3.86Å; V82-L135 PolarHBondContact O-N 3.48Å; V82-L158 HydrophobicContact CG1-CD1 3.91Å; V82-L158 HydrophobicContact CG2-CD1 4.14Å; V82-E161 HydrophobicContact CG2-CB 3.72Å; V82-I162 HydrophobicContact CB-CG1 4.5Å; V82-I162 HydrophobicContact CG1-CD1 4.12Å; V82-I162 HydrophobicContact CG1-CG1 3.75Å; V82-I162 HydrophobicContact CG2-CG1 4.01Å; V82-L165 HydrophobicContact CB-CD1 4.04Å; V82-L165 HydrophobicContact CG2-CD1 3.87Å
83V98Very high96.9Very high0 Ų040.2 Ų40.20%018%0.18CC..EExtended strand (participates in β ladder)trans-109.6145.3179.4-62.50000110.8C74 Q75 T77 V81 S85 V100 F105 L108C74-V83 WeakPolarHBondContact CA-O 3.12Å; Q75-V83 HydrophobicContact CB-CG2 4.07Å; Q75-V83 PolarHBondContact N-O 2.87Å; Q75-V83 PolarHBondContact O-N 3.45Å; T77-V83 HydrophobicContact CG2-CG1 3.66Å; T77-V83 HydrophobicContact CG2-CG2 4.14Å; V81-V83 HydrophobicContact CG1-CG1 4.25Å; V81-V83 PolarHBondContact O-N 2.86Å; V83-S85 PolarHBondContact O-N 3.46Å; V83-V100 HydrophobicContact CG2-CG1 3.52Å; V83-F105 HydrophobicContact CG1-CD2 3.45Å; V83-F105 VanDerWaalsContact CG1-CD2 3.45Å; V83-F105 HydrophobicContact CG1-CE2 3.8Å; V83-L108 HydrophobicContact CG1-CD1 3.9Å
84V97.6Very high96.8Very high0 Ų041.2 Ų41.20%019%0.187CC..EExtended strand (participates in β ladder)trans-83.1113.4173.4-175.10000108.1S54 M59 L72 D73 V133 L138S54-V84 WeakPolarHBondContact CB-O 3.44Å; M59-V84 HydrophobicContact CE-CG1 4.45Å; L72-V84 HydrophobicContact CB-CG1 4.11Å; L72-V84 HydrophobicContact CD2-CG1 3.92Å; D73-V84 CarbonylContact O-C 3.59Å; D73-V84 VanDerWaalsContact O-CA 3.29Å; D73-V84 WeakPolarHBondContact O-CA 3.39Å; D73-V84 WeakPolarHBondContact O-CG1 3.29Å; V84-V133 HydrophobicContact CB-CG2 3.78Å; V84-V133 HydrophobicContact CG2-CG2 3.78Å; V84-V133 PolarHBondContact N-O 3.41Å; V84-L138 HydrophobicContact CG2-CD1 3.75Å
85S95.4Very high96.8Very high0 Ų043 Ų430%021%0.205CC..  trans-163.6136.9174.7-177.40000109.6D73 Q75 V83 D87 Q93D73-S85 CarbonylContact C-O 3.58Å; D73-S85 WeakPolarHBondContact CB-O 3.46Å; D73-S85 PolarHBondContact O-N 3.15Å; Q75-S85 WeakPolarHBondContact CG-O 3.41Å; V83-S85 PolarHBondContact O-N 3.46Å; S85-D87 PolarHBondContact OG-N 3.02Å; S85-D87 PolarHBondContact OG-O 3.06Å; S85-Q93 PolarHBondContact OG-NE2 2.88Å; S85-Q93 PolarHBondContact OG-OE1 3.27Å; S85-Q93 VanDerWaalsContact OG-OE1 3.14Å
86H94Very high96.8Very high41 Ų4145.3 Ų45.319%0.1922%0.218CC..SBendtrans-71.5-45.6173.3176.4-94.9000112.4R45 D73 Q75R45-H86 PolarHBondContact NH2-CD2 3.13Å; R45-H86 PolarHBondContact NH2-CE1 3.48Å; R45-H86 PolarHBondContact NH2-ND1 3.18Å; R45-H86 PolarHBondContact NH2-NE2 3.17Å; D73-H86 VanDerWaalsContact CB-CA 3.42Å; D73-H86 HydrophobicContact CB-CB 4.06Å; D73-H86 IonicContact OD1-CD2 2.87Å; D73-H86 WeakPolarHBondContact OD2-CB 3.38Å; D73-H86 IonicContact OD2-CD2 2.75Å; D73-H86 PolarHBondContact OD2-CD2 2.91Å; D73-H86 IonicContact OD2-CG 3.69Å; Q75-H86 PolarHBondContact NE2-O 2.7Å
87D93.8Very high96.7Very high30 Ų3050.5 Ų50.516%0.1625%0.246CC..  trans-86.8137.2-171.8-56.5-25000110.8S85 N89 R92S85-D87 PolarHBondContact OG-N 3.02Å; S85-D87 PolarHBondContact OG-O 3.06Å; D87-N89 VanDerWaalsContact C-N 3.34Å; D87-N89 WeakPolarHBondContact CB-O 3.36Å; D87-R92 IonicContact OD1-NE 3.65Å; D87-R92 IonicContact OD1-NH2 2.79Å; D87-R92 PolarHBondContact OD1-NH2 3.29Å; D87-R92 IonicContact OD2-CZ 3.95Å; D87-R92 IonicContact OD2-NE 2.65Å; D87-R92 PolarHBondContact OD2-NE 3.27Å; D87-R92 IonicContact OD2-NH2 3.4Å; D87-R92 PolarHBondContact OD2-NH2 3.37Å
88E95.1Very high96.7Very high124 Ų12457.3 Ų57.358%0.57927%0.271SS*.SBendtrans-68.8-37.9167.9-178.1173.4-168.600110.7D99 V100E88-D99 HydrophobicContact CG-CB 4.24Å; E88-D99 CarbonylContact O-C 3.57Å; E88-D99 WeakPolarHBondContact O-CA 3.49Å; E88-V100 PolarHBondContact O-N 2.96Å
89N97.2Very high96.7Very high44 Ų4453.7 Ų53.724%0.23526%0.263CS..BIsolated β-bridgetrans-100.7132.3179.4-171.4-82.5000112D87 Y91 N97 D99D87-N89 VanDerWaalsContact C-N 3.34Å; D87-N89 WeakPolarHBondContact CB-O 3.36Å; N89-Y91 PolarHBondContact O-N 2.9Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.47Å; N89-Y91 PolarHBondContact OD1-N 3.16Å; N89-N97 PolarHBondContact ND2-OD1 3.15Å; N89-N97 VanDerWaalsContact ND2-OD1 3.12Å; N89-D99 WeakPolarHBondContact CB-OD1 3.37Å; N89-D99 PolarHBondContact ND2-OD1 3Å
90L96.8Very high96.6Very high0 Ų050.5 Ų50.50%025%0.246CC..THydrogen-bonded Turntrans-77.4-1.2-172-65.4173.6000114.6R92 Q93 S94 G95 L96 R98 V100 L103 L108 P109 M132L90-R92 PolarHBondContact O-N 3.44Å; L90-Q93 PolarHBondContact O-N 2.91Å; L90-S94 PolarHBondContact O-N 3.46Å; L90-S94 PolarHBondContact O-OG 2.96Å; L90-G95 PolarHBondContact O-N 2.89Å; L90-L96 CarbonylContact C-O 3.53Å; L90-L96 HydrophobicContact CB-CB 4.39Å; L90-L96 WeakPolarHBondContact CB-O 3.47Å; L90-L96 HydrophobicContact CD1-CD2 4.26Å; L90-R98 WeakPolarHBondContact CB-O 3.5Å; L90-R98 WeakPolarHBondContact CG-O 3.38Å; L90-R98 PolarHBondContact N-O 3.33Å; L90-V100 HydrophobicContact CD2-CG2 3.7Å; L90-V100 HydrophobicContact CG-CG2 4.12Å; L90-L103 HydrophobicContact CD1-CD1 3.73Å; L90-L108 HydrophobicContact CD1-CD2 4.04Å; L90-P109 HydrophobicContact CD1-CG 3.99Å; L90-M132 HydrophobicContact CD2-CE 3.25Å; L90-M132 HydrophobicContact CD2-SD 4.1Å
91Y96.9Very high96.6Very high143 Ų14347.8 Ų47.856%0.56125%0.246SC*.Hα-helixtrans-65.2-42.5-170.3-177-103000113.4N89 G95 L96 N97 K112N89-Y91 PolarHBondContact O-N 2.9Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.47Å; N89-Y91 PolarHBondContact OD1-N 3.16Å; Y91-G95 WeakPolarHBondContact CD2-O 3.5Å; Y91-G95 WeakPolarHBondContact O-CA 3.24Å; Y91-G95 PolarHBondContact O-N 3.5Å; Y91-L96 WeakPolarHBondContact CA-O 3.14Å; Y91-L96 PolarHBondContact N-O 2.89Å; Y91-N97 HydrophobicContact CD2-CB 4.19Å; Y91-K112 PolarHBondContact O-NZ 3.34Å
92R95.1Very high96.5Very high72 Ų7248 Ų4827%0.27225%0.25SC..Hα-helixtrans-61.5-49.3177.3-177.1-177.662.3101.84.2110.1E53 D87 L90 K112E53-R92 IonicContact OE1-CZ 3.1Å; E53-R92 IonicContact OE1-NH1 3.1Å; E53-R92 IonicContact OE1-NH2 2.88Å; E53-R92 PolarHBondContact OE1-NH2 3.39Å; E53-R92 IonicContact OE2-CZ 2.64Å; E53-R92 IonicContact OE2-NH1 3.66Å; E53-R92 PolarHBondContact OE2-NH1 2.99Å; E53-R92 IonicContact OE2-NH2 2.73Å; E53-R92 PolarHBondContact OE2-NH2 3.31Å; D87-R92 IonicContact OD1-NE 3.65Å; D87-R92 IonicContact OD1-NH2 2.79Å; D87-R92 PolarHBondContact OD1-NH2 3.29Å; D87-R92 IonicContact OD2-CZ 3.95Å; D87-R92 IonicContact OD2-NE 2.65Å; D87-R92 PolarHBondContact OD2-NE 3.27Å; D87-R92 IonicContact OD2-NH2 3.4Å; D87-R92 PolarHBondContact OD2-NH2 3.37Å; L90-R92 PolarHBondContact O-N 3.44Å; R92-K112 WeakPolarHBondContact O-CE 3.11Å; R92-K112 PolarHBondContact O-NZ 2.97Å
93Q95.3Very high96.5Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-76.9-37.6-169.6-75.1171.3-31.200114.1E53 S85 L90 Y111 K112E53-Q93 PolarHBondContact OE1-NE2 3.44Å; S85-Q93 PolarHBondContact OG-NE2 2.88Å; S85-Q93 PolarHBondContact OG-OE1 3.27Å; S85-Q93 VanDerWaalsContact OG-OE1 3.14Å; L90-Q93 PolarHBondContact O-N 2.91Å; Q93-Y111 HydrophobicContact CB-CD1 3.6Å; Q93-Y111 HydrophobicContact CB-CE1 3.51Å; Q93-Y111 HydrophobicContact CG-CD1 4.27Å; Q93-Y111 HydrophobicContact CG-CE1 3.78Å; Q93-Y111 PolarHBondContact NE2-OH 3.38Å; Q93-Y111 CarbonylContact O-C 3.24Å; Q93-Y111 VanDerWaalsContact O-CA 3.3Å; Q93-Y111 WeakPolarHBondContact O-CA 3.24Å; Q93-K112 PolarHBondContact O-N 2.8Å
94S95.9Very high96.6Very high24 Ų2451.2 Ų51.217%0.16827%0.266CS..Hα-helixtrans-127.3-15.9-173.1700000114.4L90 L96 P109 L110L90-S94 PolarHBondContact O-N 3.46Å; L90-S94 PolarHBondContact O-OG 2.96Å; S94-L96 VanDerWaalsContact C-N 3.25Å; S94-L96 WeakPolarHBondContact OG-CB 3.34Å; S94-L96 PolarHBondContact OG-N 3.44Å; S94-L96 VanDerWaalsContact OG-N 3.14Å; S94-P109 VanDerWaalsContact CB-CG 3.45Å; S94-P109 VanDerWaalsContact OG-CG 3.29Å; S94-P109 WeakPolarHBondContact OG-CG 3.46Å; S94-L110 WeakPolarHBondContact CB-O 3.32Å
95G96.2Very high96.6Very high37 Ų3752.9 Ų52.938%0.38127%0.273SS..SBendtrans83.9-6.8-170.800000114.1L90 Y91L90-G95 PolarHBondContact O-N 2.89Å; Y91-G95 WeakPolarHBondContact CD2-O 3.5Å; Y91-G95 WeakPolarHBondContact O-CA 3.24Å; Y91-G95 PolarHBondContact O-N 3.5Å
96L97Very high96.7Very high68 Ų6860 Ų6036%0.35631%0.307SS..  trans-79.7118.9174.6-177.863.5000110.4L90 Y91 S94 R98 L103 P109L90-L96 CarbonylContact C-O 3.53Å; L90-L96 HydrophobicContact CB-CB 4.39Å; L90-L96 WeakPolarHBondContact CB-O 3.47Å; L90-L96 HydrophobicContact CD1-CD2 4.26Å; Y91-L96 WeakPolarHBondContact CA-O 3.14Å; Y91-L96 PolarHBondContact N-O 2.89Å; S94-L96 VanDerWaalsContact C-N 3.25Å; S94-L96 WeakPolarHBondContact OG-CB 3.34Å; S94-L96 PolarHBondContact OG-N 3.44Å; S94-L96 VanDerWaalsContact OG-N 3.14Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 HydrophobicContact CD1-CG 4.05Å; L96-R98 HydrophobicContact CD2-CB 4.1Å; L96-R98 HydrophobicContact CD2-CG 4.13Å; L96-R98 HydrophobicContact CG-CB 3.97Å; L96-R98 HydrophobicContact CG-CG 3.88Å; L96-R98 PolarHBondContact O-N 3.49Å; L96-L103 HydrophobicContact CD2-CD1 3.87Å; L96-P109 HydrophobicContact CB-CG 4.23Å; L96-P109 HydrophobicContact CD2-CB 4.47Å; L96-P109 HydrophobicContact CD2-CG 3.95Å
97N97.5Very high96.9Very high119 Ų11962.7 Ų62.764%0.63632%0.323SS*.  trans-82.572.3174.7-172.718000111.3N89 Y91N89-N97 PolarHBondContact ND2-OD1 3.15Å; N89-N97 VanDerWaalsContact ND2-OD1 3.12Å; Y91-N97 HydrophobicContact CD2-CB 4.19Å
98R97.5Very high97.1Very high147 Ų14762.5 Ų62.556%0.55532%0.321SS*.  trans-142.6150.2174.8-70.7-67.3-174.2164.60.5109.2L90 L96 L103L90-R98 WeakPolarHBondContact CB-O 3.5Å; L90-R98 WeakPolarHBondContact CG-O 3.38Å; L90-R98 PolarHBondContact N-O 3.33Å; L96-R98 VanDerWaalsContact C-N 3.27Å; L96-R98 HydrophobicContact CD1-CG 4.05Å; L96-R98 HydrophobicContact CD2-CB 4.1Å; L96-R98 HydrophobicContact CD2-CG 4.13Å; L96-R98 HydrophobicContact CG-CB 3.97Å; L96-R98 HydrophobicContact CG-CG 3.88Å; L96-R98 PolarHBondContact O-N 3.49Å; R98-L103 HydrophobicContact CB-CD1 4.38Å
99D97.5Very high97.2Very high68 Ų6858.1 Ų58.136%0.36430%0.304SS..BIsolated β-bridgetrans-85146.5174.2-55.6-25.5000110.1E88 N89 G101 S102E88-D99 HydrophobicContact CG-CB 4.24Å; E88-D99 CarbonylContact O-C 3.57Å; E88-D99 WeakPolarHBondContact O-CA 3.49Å; N89-D99 WeakPolarHBondContact CB-OD1 3.37Å; N89-D99 PolarHBondContact ND2-OD1 3Å; D99-G101 PolarHBondContact O-N 3.49Å; D99-S102 WeakPolarHBondContact O-CB 3.41Å; D99-S102 PolarHBondContact O-N 2.9Å; D99-S102 PolarHBondContact O-OG 3.27Å
100V97.2Very high97.2Very high1 Ų160.1 Ų60.11%0.00631%0.314CS..G310 helixtrans-52.5-44.5-179.9173.30000111.1Q75 T77 V83 E88 L90 S102 L103Q75-V100 HydrophobicContact CB-CB 4.1Å; Q75-V100 HydrophobicContact CB-CG1 3.82Å; Q75-V100 HydrophobicContact CB-CG2 4.32Å; Q75-V100 HydrophobicContact CG-CG2 4.47Å; T77-V100 HydrophobicContact CG2-CG1 4.03Å; V83-V100 HydrophobicContact CG2-CG1 3.52Å; E88-V100 PolarHBondContact O-N 2.96Å; L90-V100 HydrophobicContact CD2-CG2 3.7Å; L90-V100 HydrophobicContact CG-CG2 4.12Å; V100-S102 PolarHBondContact O-N 2.73Å; V100-L103 PolarHBondContact O-N 3.4Å
101G97.1Very high97.2Very high44 Ų4460.1 Ų60.145%0.45431%0.314SS..G310 helixtrans-66.9-3.2179.700000115.5L76 D99L76-G101 WeakPolarHBondContact O-CA 3.47Å; L76-G101 PolarHBondContact O-N 3.39Å; D99-G101 PolarHBondContact O-N 3.49Å
102S97.8Very high97.2Very high41 Ų4157 Ų5729%0.28730%0.303SS..G310 helixtrans-94.5-9.2176.873.70000114.4D99 V100D99-S102 WeakPolarHBondContact O-CB 3.41Å; D99-S102 PolarHBondContact O-N 2.9Å; D99-S102 PolarHBondContact O-OG 3.27Å; V100-S102 PolarHBondContact O-N 2.73Å
103L98.3Very high97.2Very high29 Ų2960.3 Ų60.315%0.15232%0.322CS..SBendtrans-121.3153.3-175-60176000110.8T77 R78 L90 L96 R98 V100 D107 L108T77-L103 WeakPolarHBondContact CB-O 3.45Å; R78-L103 WeakPolarHBondContact CB-O 3.35Å; R78-L103 PolarHBondContact N-O 2.94Å; L90-L103 HydrophobicContact CD1-CD1 3.73Å; L96-L103 HydrophobicContact CD2-CD1 3.87Å; R98-L103 HydrophobicContact CB-CD1 4.38Å; V100-L103 PolarHBondContact O-N 3.4Å; L103-D107 HydrophobicContact CB-CB 4.48Å; L103-L108 HydrophobicContact CB-CD2 4.18Å; L103-L108 HydrophobicContact CD1-CD2 4.2Å
104D98.5Very high97.2Very high44 Ų4465 Ų6524%0.23534%0.344CS..  trans-79.4158.9166.8-61.7-17.9000109.2R78 D79 E106 D107 L108R78-D104 WeakPolarHBondContact CB-OD1 3.35Å; R78-D104 IonicContact CZ-OD1 3.63Å; R78-D104 IonicContact CZ-OD2 3.34Å; R78-D104 IonicContact NE-OD1 3.34Å; R78-D104 PolarHBondContact NE-OD1 3.35Å; R78-D104 IonicContact NE-OD2 3.96Å; R78-D104 IonicContact NH2-OD1 3.21Å; R78-D104 PolarHBondContact NH2-OD1 2.85Å; R78-D104 VanDerWaalsContact NH2-OD1 3.14Å; R78-D104 IonicContact NH2-OD2 3.48Å; R78-D104 PolarHBondContact NH2-OD2 3.25Å; D79-D104 HydrophobicContact CB-CB 4.15Å; D79-D104 WeakPolarHBondContact OD1-CA 3.44Å; D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 PolarHBondContact O-N 3.29Å; D104-D107 PolarHBondContact O-N 3.44Å; D104-L108 PolarHBondContact O-N 3.18Å
105F98.2Very high97.2Very high34 Ų3464.2 Ų64.215%0.14934%0.338CS..G310 helixtrans-56-44.3-175176.2-105.3000113.5T77 D79 V81 V83 D107 L108 R134T77-F105 HydrophobicContact CG2-CB 4.37Å; D79-F105 PolarHBondContact OD1-N 2.95Å; D79-F105 PolarHBondContact OD2-N 3.45Å; V81-F105 HydrophobicContact CB-CB 3.95Å; V81-F105 HydrophobicContact CB-CG 4.42Å; V81-F105 HydrophobicContact CG1-CB 4.1Å; V81-F105 HydrophobicContact CG1-CD2 3.99Å; V81-F105 HydrophobicContact CG1-CG 4.01Å; V81-F105 HydrophobicContact CG2-CB 3.93Å; V83-F105 HydrophobicContact CG1-CD2 3.45Å; V83-F105 VanDerWaalsContact CG1-CD2 3.45Å; V83-F105 HydrophobicContact CG1-CE2 3.8Å; F105-D107 PolarHBondContact O-N 3.4Å; F105-L108 HydrophobicContact CD2-CD1 3.8Å; F105-L108 HydrophobicContact CE2-CD1 4.27Å; F105-L108 WeakPolarHBondContact O-CB 3.34Å; F105-L108 WeakPolarHBondContact O-CG 3.4Å; F105-L108 PolarHBondContact O-N 3.08Å; F105-L108 VanDerWaalsContact O-N 3.16Å; F105-R134 HydrophobicContact CD1-CG 4.24Å; F105-R134 HydrophobicContact CD2-CG 3.82Å; F105-R134 HydrophobicContact CE1-CG 3.79Å; F105-R134 HydrophobicContact CE2-CG 3.33Å; F105-R134 HydrophobicContact CG-CG 4.26Å; F105-R134 HydrophobicContact CZ-CG 3.32Å
106E97.4Very high97.1Very high150 Ų15067 Ų6770%0.70134%0.34SS*.G310 helixtrans-67.7-19.1-178.8-62.9-62.4143.300113.2D104D104-E106 VanDerWaalsContact C-N 3.32Å; D104-E106 PolarHBondContact O-N 3.29Å
107D97.8Very high96.8Very high98 Ų9863.9 Ų63.952%0.52432%0.324SS..G310 helixtrans-90.8-2.8178.3-66.6-35.2000112.7L103 D104 F105L103-D107 HydrophobicContact CB-CB 4.48Å; D104-D107 PolarHBondContact O-N 3.44Å; F105-D107 PolarHBondContact O-N 3.4Å
108L97.9Very high96.2Very high26 Ų2664.3 Ų64.314%0.13632%0.318CS..PPolyproline II helixtrans-65.1134.1179-69.6175.3000110.9T77 V83 L90 L103 D104 F105 M132T77-L108 HydrophobicContact CG2-CD1 3.94Å; V83-L108 HydrophobicContact CG1-CD1 3.9Å; L90-L108 HydrophobicContact CD1-CD2 4.04Å; L103-L108 HydrophobicContact CB-CD2 4.18Å; L103-L108 HydrophobicContact CD1-CD2 4.2Å; D104-L108 PolarHBondContact O-N 3.18Å; F105-L108 HydrophobicContact CD2-CD1 3.8Å; F105-L108 HydrophobicContact CE2-CD1 4.27Å; F105-L108 WeakPolarHBondContact O-CB 3.34Å; F105-L108 WeakPolarHBondContact O-CG 3.4Å; F105-L108 PolarHBondContact O-N 3.08Å; F105-L108 VanDerWaalsContact O-N 3.16Å; L108-M132 HydrophobicContact CD1-SD 4.06Å
109P97.3Very high95.6Very high32 Ų3257.7 Ų57.721%0.20829%0.293CS..PPolyproline II helixtrans-72.2157.2-178.332.6-36.7000111.2L90 S94 L96L90-P109 HydrophobicContact CD1-CG 3.99Å; S94-P109 VanDerWaalsContact CB-CG 3.45Å; S94-P109 VanDerWaalsContact OG-CG 3.29Å; S94-P109 WeakPolarHBondContact OG-CG 3.46Å; L96-P109 HydrophobicContact CB-CG 4.23Å; L96-P109 HydrophobicContact CD2-CB 4.47Å; L96-P109 HydrophobicContact CD2-CG 3.95Å
110L97.6Very high95.1Very high85 Ų8555 Ų5545%0.44528%0.28SS..PPolyproline II helixtrans-65.8146.4165.2-60.9179000110.2S94 R130 R131S94-L110 WeakPolarHBondContact CB-O 3.32Å; L110-R130 CarbonylContact C-O 3.16Å; L110-R130 WeakPolarHBondContact CA-O 3.47Å; L110-R130 HydrophobicContact CB-CB 4.09Å; L110-R130 HydrophobicContact CD2-CB 4.34Å; L110-R131 HydrophobicContact CD2-CG 3.46Å; L110-R131 VanDerWaalsContact CD2-CG 3.46Å
111Y97.2Very high94.6Very high1 Ų158.2 Ų58.20%0.00430%0.301CS..PPolyproline II helixtrans-59162.4167.1-69.6-34.1000112.1E53 S54 T55 Q93 L115 R130 M132E53-Y111 WeakPolarHBondContact O-CE2 3.27Å; S54-Y111 WeakPolarHBondContact CB-OH 3.45Å; T55-Y111 HydrophobicContact CG2-CD2 3.82Å; T55-Y111 HydrophobicContact CG2-CE2 3.86Å; Q93-Y111 HydrophobicContact CB-CD1 3.6Å; Q93-Y111 HydrophobicContact CB-CE1 3.51Å; Q93-Y111 HydrophobicContact CG-CD1 4.27Å; Q93-Y111 HydrophobicContact CG-CE1 3.78Å; Q93-Y111 PolarHBondContact NE2-OH 3.38Å; Q93-Y111 CarbonylContact O-C 3.24Å; Q93-Y111 VanDerWaalsContact O-CA 3.3Å; Q93-Y111 WeakPolarHBondContact O-CA 3.24Å; Y111-L115 HydrophobicContact CD1-CD1 4.49Å; Y111-L115 HydrophobicContact CD2-CD1 4.47Å; Y111-L115 HydrophobicContact CG-CD1 4.22Å; Y111-R130 PolarHBondContact N-O 3.17Å; Y111-R130 PolarHBondContact O-NE 3.49Å; Y111-R130 PolarHBondContact O-NH2 3.16Å; Y111-M132 HydrophobicContact CD1-CE 3.91Å; Y111-M132 HydrophobicContact CE1-CE 3.3Å; Y111-M132 HydrophobicContact CE1-CG 3.71Å; Y111-M132 HydrophobicContact CE1-SD 4.25Å; Y111-M132 HydrophobicContact CE2-CG 4.1Å; Y111-M132 VanDerWaalsContact CZ-CG 3.46Å; Y111-M132 WeakPolarHBondContact OH-CG 3.26Å
112K96.6Very high94.2Very high78 Ų7858.7 Ų58.734%0.33931%0.305SS..PPolyproline II helixtrans-61.5164.1166.1-68169.1-175.2164.90110.5Y91 R92 Q93 E114 L115Y91-K112 PolarHBondContact O-NZ 3.34Å; R92-K112 WeakPolarHBondContact O-CE 3.11Å; R92-K112 PolarHBondContact O-NZ 2.97Å; Q93-K112 PolarHBondContact O-N 2.8Å; K112-E114 WeakPolarHBondContact CB-O 3.44Å; K112-E114 PolarHBondContact O-N 3.1Å; K112-L115 HydrophobicContact CB-CD2 4.16Å; K112-L115 HydrophobicContact CD-CD2 4.36Å
113E95.8Very high93.9Very high141 Ų14162 Ų6266%0.65932%0.316SS*.SBendtrans-68.6-22.8177.1-67.3178.4-178.100112.6H126 R130E113-H126 PolarHBondContact O-ND1 2.89Å; E113-R130 IonicContact OE1-NH1 2.85Å
114E95.4Very high93.8Very high98 Ų9865.1 Ų65.146%0.45833%0.329SS..EExtended strand (participates in β ladder)trans-139.2145.1175.169.6-173.3-172.700110.1K112 F124 A125 H126K112-E114 WeakPolarHBondContact CB-O 3.44Å; K112-E114 PolarHBondContact O-N 3.1Å; E114-F124 HydrophobicContact CB-CB 4.34Å; E114-F124 HydrophobicContact CB-CD1 4.44Å; E114-F124 HydrophobicContact CG-CD1 4.14Å; E114-A125 VanDerWaalsContact CA-O 3.25Å; E114-A125 WeakPolarHBondContact CA-O 3.39Å; E114-H126 VanDerWaalsContact CB-CE1 3.44Å; E114-H126 WeakPolarHBondContact CB-CE1 3.48Å; E114-H126 WeakPolarHBondContact CB-ND1 3.25Å; E114-H126 IonicContact OE2-CE1 2.86Å; E114-H126 PolarHBondContact OE2-CE1 2.87Å
115L95.2Very high93.6Very high8 Ų863.1 Ų63.14%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-131.2134.3173.6-68.7178.1000109.7L52 E53 Y111 K112 F124 A125L52-L115 HydrophobicContact CD2-CB 3.98Å; L52-L115 HydrophobicContact CD2-CD1 4.05Å; L52-L115 HydrophobicContact CD2-CG 3.86Å; E53-L115 HydrophobicContact CG-CD1 4.13Å; Y111-L115 HydrophobicContact CD1-CD1 4.49Å; Y111-L115 HydrophobicContact CD2-CD1 4.47Å; Y111-L115 HydrophobicContact CG-CD1 4.22Å; K112-L115 HydrophobicContact CB-CD2 4.16Å; K112-L115 HydrophobicContact CD-CD2 4.36Å; L115-F124 CarbonylContact O-C 3.49Å; L115-F124 VanDerWaalsContact O-CA 3.32Å; L115-F124 WeakPolarHBondContact O-CA 3.41Å; L115-A125 PolarHBondContact N-O 3.09Å; L115-A125 VanDerWaalsContact N-O 3.08Å; L115-A125 PolarHBondContact O-N 3.02Å
116E93.8Very high93.5Very high94 Ų9466.4 Ų66.444%0.43933%0.334SS..EExtended strand (participates in β ladder)trans-67.5134174.7-169.5175.9-165.700110.4Y118 G122 H123 F124E116-Y118 PolarHBondContact O-N 3.28Å; E116-G122 PolarHBondContact OE1-N 2.91Å; E116-H123 WeakPolarHBondContact CA-O 3.23Å; E116-F124 HydrophobicContact CB-CD1 4.01Å; E116-F124 HydrophobicContact CB-CE1 3.7Å; E116-F124 HydrophobicContact CB-CZ 4.24Å; E116-F124 HydrophobicContact CG-CE1 4.23Å; E116-F124 HydrophobicContact CG-CZ 4.28Å
117V91.1Very high93.3Very high3 Ų360.3 Ų60.32%0.01831%0.312CS..  trans-79118.6-179.7-174.70000109.3F119 S120 H123 A125 D299V117-F119 PolarHBondContact O-N 3.16Å; V117-S120 CarbonylContact O-C 3.14Å; V117-S120 VanDerWaalsContact O-C 3.24Å; V117-S120 PolarHBondContact O-N 3.32Å; V117-H123 HydrophobicContact CG2-CB 4.41Å; V117-H123 PolarHBondContact N-O 2.95Å; V117-A125 HydrophobicContact CG2-CB 4.25Å; V117-D299 HydrophobicContact CG1-CB 4.09Å
118Y85.4Confident93.2Very high128 Ų12860.7 Ų60.750%0.50232%0.322SS..THydrogen-bonded Turntrans-57.2-44.4-169.6-173.4-95.2000113.9E116 S120E116-Y118 PolarHBondContact O-N 3.28Å; Y118-S120 VanDerWaalsContact C-N 3.32Å
119F85.2Confident93.1Very high8 Ų861.2 Ų61.24%0.03533%0.325CS..THydrogen-bonded Turntrans-94.721.3177.7-61.5-76.7000112.7H44 V117 T237 Y238 W277 C278 N280H44-F119 AromaticContact CE1-CD2 3.6Å; H44-F119 AromaticContact CE1-CE2 3.39Å; H44-F119 WeakPolarHBondContact CE1-CE2 3.31Å; H44-F119 AromaticContact NE2-CE2 3.7Å; V117-F119 PolarHBondContact O-N 3.16Å; F119-T237 WeakPolarHBondContact O-CB 3.25Å; F119-T237 WeakPolarHBondContact O-CG2 3.49Å; F119-Y238 AromaticContact CE1-CD2 3.9Å; F119-Y238 HydrophobicContact CE1-CD2 3.9Å; F119-W277 HydrophobicContact CE1-CE3 4.37Å; F119-W277 HydrophobicContact CE1-CZ3 4Å; F119-W277 AromaticContact CZ-CE3 3.92Å; F119-W277 HydrophobicContact CZ-CE3 3.92Å; F119-W277 AromaticContact CZ-CZ3 3.63Å; F119-W277 HydrophobicContact CZ-CZ3 3.63Å; F119-C278 HydrophobicContact CB-CB 4.02Å; F119-C278 HydrophobicContact CD1-CB 4.23Å; F119-C278 HydrophobicContact CD2-CB 3.33Å; F119-C278 HydrophobicContact CE2-CB 3.75Å; F119-C278 HydrophobicContact CG-CB 3.61Å; F119-C278 HydrophobicContact CZ-CB 4.36Å; F119-N280 PolarHBondContact O-ND2 3.34Å
120S87.3Confident93.1Very high11 Ų1163.2 Ų63.28%0.07733%0.328CS..SBendtrans-147.371.1170.5-65.30000109.6V117 Y118 G122 H123 N280V117-S120 CarbonylContact O-C 3.14Å; V117-S120 VanDerWaalsContact O-C 3.24Å; V117-S120 PolarHBondContact O-N 3.32Å; Y118-S120 VanDerWaalsContact C-N 3.32Å; S120-G122 PolarHBondContact O-N 3.1Å; S120-H123 VanDerWaalsContact O-CB 3.27Å; S120-H123 WeakPolarHBondContact O-CB 3.29Å; S120-H123 PolarHBondContact O-CD2 2.61Å; S120-H123 PolarHBondContact O-N 2.67Å; S120-N280 PolarHBondContact OG-ND2 3.05Å
121P85.4Confident93.1Very high70 Ų7067.3 Ų67.346%0.45534%0.338SS..THydrogen-bonded Turntrans-52.8134.9-177.2-25.934.7000112.4H123P121-H123 VanDerWaalsContact C-N 3.29Å
122G88.8Confident93.1Very high53 Ų5367.8 Ų67.855%0.54634%0.34SS..THydrogen-bonded Turntrans81.2-2.7-174.200000115.5E116 S120E116-G122 PolarHBondContact OE1-N 2.91Å; S120-G122 PolarHBondContact O-N 3.1Å
123H91.8Very high93.1Very high111 Ų11164.5 Ų64.551%0.51433%0.326SS..  trans-99.6143.1169.4-64.8-97.9000110.7E116 V117 S120 P121E116-H123 WeakPolarHBondContact CA-O 3.23Å; V117-H123 HydrophobicContact CG2-CB 4.41Å; V117-H123 PolarHBondContact N-O 2.95Å; S120-H123 VanDerWaalsContact O-CB 3.27Å; S120-H123 WeakPolarHBondContact O-CB 3.29Å; S120-H123 PolarHBondContact O-CD2 2.61Å; S120-H123 PolarHBondContact O-N 2.67Å; P121-H123 VanDerWaalsContact C-N 3.29Å
124F95.2Very high93.3Very high94 Ų9461.5 Ų61.541%0.41231%0.309SS..EExtended strand (participates in β ladder)trans-125.8135.5-177.1-64.9-96.1000110.2E114 L115 E116E114-F124 HydrophobicContact CB-CB 4.34Å; E114-F124 HydrophobicContact CB-CD1 4.44Å; E114-F124 HydrophobicContact CG-CD1 4.14Å; L115-F124 CarbonylContact O-C 3.49Å; L115-F124 VanDerWaalsContact O-CA 3.32Å; L115-F124 WeakPolarHBondContact O-CA 3.41Å; E116-F124 HydrophobicContact CB-CD1 4.01Å; E116-F124 HydrophobicContact CB-CE1 3.7Å; E116-F124 HydrophobicContact CB-CZ 4.24Å; E116-F124 HydrophobicContact CG-CE1 4.23Å; E116-F124 HydrophobicContact CG-CZ 4.28Å
125A95.6Very high93.4Very high3 Ų356.8 Ų56.83%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-92.8148.2170.200000109.9S48 L52 E114 L115 V117S48-A125 WeakPolarHBondContact O-CB 3.46Å; L52-A125 VanDerWaalsContact CD2-O 3.29Å; L52-A125 WeakPolarHBondContact CD2-O 3.38Å; E114-A125 VanDerWaalsContact CA-O 3.25Å; E114-A125 WeakPolarHBondContact CA-O 3.39Å; L115-A125 PolarHBondContact N-O 3.09Å; L115-A125 VanDerWaalsContact N-O 3.08Å; L115-A125 PolarHBondContact O-N 3.02Å; V117-A125 HydrophobicContact CG2-CB 4.25Å
126H96.2Very high93.6Very high103 Ų10359 Ų5948%0.47730%0.297SS..EExtended strand (participates in β ladder)trans-127.9160.2177.4-57.3-79.5000109.2L51 E113 E114L51-H126 WeakPolarHBondContact CA-O 3.44Å; L51-H126 WeakPolarHBondContact CD2-O 3.46Å; E113-H126 PolarHBondContact O-ND1 2.89Å; E114-H126 VanDerWaalsContact CB-CE1 3.44Å; E114-H126 WeakPolarHBondContact CB-CE1 3.48Å; E114-H126 WeakPolarHBondContact CB-ND1 3.25Å; E114-H126 IonicContact OE2-CE1 2.86Å; E114-H126 PolarHBondContact OE2-CE1 2.87Å
127G92.9Very high93.8Very high22 Ų2256.3 Ų56.323%0.22729%0.286CS..  trans-166.5152.9-179.300000111.6E57E57-G127 WeakPolarHBondContact OE2-CA 3.36Å
128S94.9Very high94.1Very high106 Ų10656.1 Ų56.174%0.74129%0.285SS*.SBendtrans-81.6-3417367.60000111E57E57-S128 VanDerWaalsContact CD-OG 3.24Å; E57-S128 PolarHBondContact OE1-OG 3.38Å; E57-S128 PolarHBondContact OE2-N 3.03Å; E57-S128 PolarHBondContact OE2-OG 2.95Å
129D97.3Very high94.8Very high37 Ų3750.1 Ų50.120%0.19826%0.261CS..  trans-82.1128.3169.4-172.510.1000110.2M56 E57 R131M56-D129 PolarHBondContact N-OD2 3.48Å; M56-D129 VanDerWaalsContact N-OD2 3.07Å; E57-D129 HydrophobicContact CB-CB 3.66Å; E57-D129 PolarHBondContact OE2-N 3.25Å; D129-R131 PolarHBondContact OD1-N 3.32Å
130R97.4Very high95.4Very high73 Ų7355 Ų5528%0.27528%0.284SS..  trans-124.89.9-179.4-66.7169.860-178.40.7111.6L52 L110 Y111 E113L52-R130 HydrophobicContact CD1-CG 3.81Å; L110-R130 CarbonylContact C-O 3.16Å; L110-R130 WeakPolarHBondContact CA-O 3.47Å; L110-R130 HydrophobicContact CB-CB 4.09Å; L110-R130 HydrophobicContact CD2-CB 4.34Å; Y111-R130 PolarHBondContact N-O 3.17Å; Y111-R130 PolarHBondContact O-NE 3.49Å; Y111-R130 PolarHBondContact O-NH2 3.16Å; E113-R130 IonicContact OE1-NH1 2.85Å
131R97.1Very high95.9Very high172 Ų17261 Ų6165%0.64931%0.305SS*.PPolyproline II helixtrans-93.7137-178.4-67.5177.2-179.5-98.60.3110.1L110 D129L110-R131 HydrophobicContact CD2-CG 3.46Å; L110-R131 VanDerWaalsContact CD2-CG 3.46Å; D129-R131 PolarHBondContact OD1-N 3.32Å
132M96.2Very high96.5Very high11 Ų1158.7 Ų58.75%0.05429%0.288CS..PPolyproline II helixtrans-64.3142165.4-69.6171.7-150.800109.7L90 L108 Y111L90-M132 HydrophobicContact CD2-CE 3.25Å; L90-M132 HydrophobicContact CD2-SD 4.1Å; L108-M132 HydrophobicContact CD1-SD 4.06Å; Y111-M132 HydrophobicContact CD1-CE 3.91Å; Y111-M132 HydrophobicContact CE1-CE 3.3Å; Y111-M132 HydrophobicContact CE1-CG 3.71Å; Y111-M132 HydrophobicContact CE1-SD 4.25Å; Y111-M132 HydrophobicContact CE2-CG 4.1Å; Y111-M132 VanDerWaalsContact CZ-CG 3.46Å; Y111-M132 WeakPolarHBondContact OH-CG 3.26Å
133V97.6Very high96.9Very high8 Ų860 Ų605%0.04829%0.287CS..PPolyproline II helixtrans-95.9147.4177.6-60.50000111.9S54 M56 V84 L138S54-V133 WeakPolarHBondContact O-CG2 3.5Å; S54-V133 PolarHBondContact O-N 2.85Å; M56-V133 HydrophobicContact CB-CG1 3.88Å; M56-V133 HydrophobicContact CE-CG1 4.44Å; V84-V133 HydrophobicContact CB-CG2 3.78Å; V84-V133 HydrophobicContact CG2-CG2 3.78Å; V84-V133 PolarHBondContact N-O 3.41Å; V133-L138 HydrophobicContact CB-CD2 4.48Å; V133-L138 HydrophobicContact CG2-CD1 3.89Å; V133-L138 HydrophobicContact CG2-CD2 4.08Å; V133-L138 HydrophobicContact CG2-CG 3.99Å
134R98.4Very high97.2Very high78 Ų7865.6 Ų65.629%0.29430%0.304SS..BIsolated β-bridgetrans-77.7144.4166.1-54.7177.4-69.1-178.22.4108.9V81 V82 F105 E136 D137 L138V81-R134 HydrophobicContact CG1-CB 4.21Å; V81-R134 HydrophobicContact CG1-CG 3.59Å; V82-R134 WeakPolarHBondContact O-CA 3.3Å; F105-R134 HydrophobicContact CD1-CG 4.24Å; F105-R134 HydrophobicContact CD2-CG 3.82Å; F105-R134 HydrophobicContact CE1-CG 3.79Å; F105-R134 HydrophobicContact CE2-CG 3.33Å; F105-R134 HydrophobicContact CG-CG 4.26Å; F105-R134 HydrophobicContact CZ-CG 3.32Å; R134-E136 PolarHBondContact O-N 2.87Å; R134-D137 HydrophobicContact CB-CB 4.45Å; R134-D137 WeakPolarHBondContact CB-OD2 3.2Å; R134-D137 IonicContact CZ-OD1 3.57Å; R134-D137 IonicContact CZ-OD2 3.69Å; R134-D137 IonicContact NE-OD1 3.34Å; R134-D137 PolarHBondContact NE-OD1 3.37Å; R134-D137 IonicContact NE-OD2 3.81Å; R134-D137 PolarHBondContact NE-OD2 2.8Å; R134-D137 IonicContact NH2-OD1 3.65Å; R134-D137 PolarHBondContact NH2-OD1 2.89Å; R134-D137 IonicContact NH2-OD2 2.74Å; R134-D137 PolarHBondContact NH2-OD2 2.95Å; R134-D137 PolarHBondContact O-N 3.4Å; R134-D137 VanDerWaalsContact O-N 3.15Å; R134-L138 PolarHBondContact O-N 2.97Å
135L98.6Very high97.3Very high0 Ų062 Ų620%029%0.289CS..Hα-helixtrans-58.9-36.3173.4-177.462.3000111.4L72 V82 D137 L138 F139 V149 I162 L165L72-L135 HydrophobicContact CD1-CD1 3.77Å; V82-L135 HydrophobicContact CB-CB 4.16Å; V82-L135 HydrophobicContact CG1-CB 3.82Å; V82-L135 HydrophobicContact CG1-CD2 3.86Å; V82-L135 PolarHBondContact O-N 3.48Å; L135-D137 VanDerWaalsContact C-N 3.35Å; L135-D137 PolarHBondContact O-N 3.3Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 3.16Å; L135-F139 HydrophobicContact CD1-CD1 4.22Å; L135-F139 HydrophobicContact CD1-CE1 3.55Å; L135-F139 HydrophobicContact CD1-CZ 3.92Å; L135-F139 HydrophobicContact CD2-CE1 4.31Å; L135-F139 HydrophobicContact CD2-CE2 4.34Å; L135-F139 HydrophobicContact CD2-CZ 3.81Å; L135-F139 HydrophobicContact CG-CD1 4.34Å; L135-F139 HydrophobicContact CG-CE1 3.75Å; L135-F139 HydrophobicContact CG-CE2 4.21Å; L135-F139 HydrophobicContact CG-CZ 3.68Å; L135-F139 WeakPolarHBondContact O-CD1 3.34Å; L135-F139 PolarHBondContact O-N 3.06Å; L135-V149 HydrophobicContact CD1-CG2 4.31Å; L135-V149 HydrophobicContact CD2-CG2 4.44Å; L135-I162 HydrophobicContact CD2-CG1 4.02Å; L135-I162 HydrophobicContact CD2-CG2 4.35Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å
136E98.6Very high97.4Very high55 Ų5562.5 Ų62.526%0.25729%0.292SS..Hα-helixtrans-61.5-39.7177.2-174.1164.8-151.400112.8R134 L138 F139 Q140 L165 Y169R134-E136 PolarHBondContact O-N 2.87Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 2.99Å; E136-F139 PolarHBondContact O-N 3.39Å; E136-F139 VanDerWaalsContact O-N 3.16Å; E136-Q140 WeakPolarHBondContact O-CG 3.01Å; E136-Q140 PolarHBondContact O-N 3.21Å; E136-L165 HydrophobicContact CB-CD2 3.95Å; E136-L165 HydrophobicContact CG-CD2 4.05Å; E136-Y169 VanDerWaalsContact CD-OH 3.31Å; E136-Y169 HydrophobicContact CG-CE2 3.77Å; E136-Y169 WeakPolarHBondContact CG-OH 3.46Å; E136-Y169 WeakPolarHBondContact OE1-CE2 3.3Å; E136-Y169 PolarHBondContact OE1-OH 3.35Å
137D98.5Very high97.5Very high36 Ų3657.6 Ų57.619%0.19327%0.27CS..Hα-helixtrans-63.3-37.5177-65.4-34.9000111.2M56 R134 L135 Q140 R141M56-D137 HydrophobicContact CE-CB 4.08Å; R134-D137 HydrophobicContact CB-CB 4.45Å; R134-D137 WeakPolarHBondContact CB-OD2 3.2Å; R134-D137 IonicContact CZ-OD1 3.57Å; R134-D137 IonicContact CZ-OD2 3.69Å; R134-D137 IonicContact NE-OD1 3.34Å; R134-D137 PolarHBondContact NE-OD1 3.37Å; R134-D137 IonicContact NE-OD2 3.81Å; R134-D137 PolarHBondContact NE-OD2 2.8Å; R134-D137 IonicContact NH2-OD1 3.65Å; R134-D137 PolarHBondContact NH2-OD1 2.89Å; R134-D137 IonicContact NH2-OD2 2.74Å; R134-D137 PolarHBondContact NH2-OD2 2.95Å; R134-D137 PolarHBondContact O-N 3.4Å; R134-D137 VanDerWaalsContact O-N 3.15Å; L135-D137 VanDerWaalsContact C-N 3.35Å; L135-D137 PolarHBondContact O-N 3.3Å; D137-Q140 PolarHBondContact O-N 2.87Å; D137-R141 VanDerWaalsContact O-CB 3.25Å; D137-R141 WeakPolarHBondContact O-CB 3.4Å; D137-R141 PolarHBondContact O-N 3.39Å
138L98.4Very high97.8Very high0 Ų056.6 Ų56.60%026%0.259CS..Hα-helixtrans-67.2-38.9175-61.5-177.4000111.9M56 M59 L72 V84 V133 R134 L135 E136 Q140 R141 F142 M147M56-L138 HydrophobicContact CE-CD2 3.78Å; M56-L138 HydrophobicContact SD-CD2 3.94Å; M59-L138 HydrophobicContact CB-CD2 4.19Å; M59-L138 HydrophobicContact CE-CD1 4.38Å; M59-L138 HydrophobicContact CG-CD1 4.48Å; M59-L138 HydrophobicContact CG-CD2 3.77Å; M59-L138 HydrophobicContact SD-CD1 4.47Å; L72-L138 HydrophobicContact CD1-CD1 3.77Å; L72-L138 HydrophobicContact CD2-CD1 3.95Å; V84-L138 HydrophobicContact CG2-CD1 3.75Å; V133-L138 HydrophobicContact CB-CD2 4.48Å; V133-L138 HydrophobicContact CG2-CD1 3.89Å; V133-L138 HydrophobicContact CG2-CD2 4.08Å; V133-L138 HydrophobicContact CG2-CG 3.99Å; R134-L138 PolarHBondContact O-N 2.97Å; L135-L138 WeakPolarHBondContact O-CB 3.22Å; L135-L138 PolarHBondContact O-N 3.16Å; E136-L138 VanDerWaalsContact C-N 3.28Å; E136-L138 PolarHBondContact O-N 2.99Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.16Å; L138-R141 PolarHBondContact O-N 3.45Å; L138-F142 HydrophobicContact CD2-CD2 4.32Å; L138-F142 HydrophobicContact CD2-CE2 4.19Å; L138-F142 PolarHBondContact O-N 2.85Å; L138-M147 HydrophobicContact CB-CE 3.85Å; L138-M147 HydrophobicContact CB-SD 4.35Å
139F98.4Very high97.9Very high1 Ų151.6 Ų51.60%0.00422%0.224CC..Hα-helixtrans-63.9-38.6175.9-70.20.2000111.7L135 E136 P143 M147 L165 V166 Y169 R171L135-F139 HydrophobicContact CD1-CD1 4.22Å; L135-F139 HydrophobicContact CD1-CE1 3.55Å; L135-F139 HydrophobicContact CD1-CZ 3.92Å; L135-F139 HydrophobicContact CD2-CE1 4.31Å; L135-F139 HydrophobicContact CD2-CE2 4.34Å; L135-F139 HydrophobicContact CD2-CZ 3.81Å; L135-F139 HydrophobicContact CG-CD1 4.34Å; L135-F139 HydrophobicContact CG-CE1 3.75Å; L135-F139 HydrophobicContact CG-CE2 4.21Å; L135-F139 HydrophobicContact CG-CZ 3.68Å; L135-F139 WeakPolarHBondContact O-CD1 3.34Å; L135-F139 PolarHBondContact O-N 3.06Å; E136-F139 PolarHBondContact O-N 3.39Å; E136-F139 VanDerWaalsContact O-N 3.16Å; F139-P143 VanDerWaalsContact O-CA 3.28Å; F139-P143 WeakPolarHBondContact O-CA 3.11Å; F139-M147 HydrophobicContact CD1-CE 4.36Å; F139-M147 HydrophobicContact CD1-SD 3.68Å; F139-M147 HydrophobicContact CE1-SD 3.59Å; F139-M147 VanDerWaalsContact CE1-SD 3.59Å; F139-L165 HydrophobicContact CD2-CB 4.38Å; F139-L165 HydrophobicContact CE2-CB 3.9Å; F139-V166 HydrophobicContact CE2-CG2 4.01Å; F139-V166 HydrophobicContact CZ-CG2 3.93Å; F139-Y169 HydrophobicContact CB-CD1 3.96Å; F139-Y169 HydrophobicContact CB-CD2 4.38Å; F139-Y169 HydrophobicContact CB-CE1 4.35Å; F139-Y169 HydrophobicContact CB-CG 3.98Å; F139-Y169 AromaticContact CD2-CD2 3.91Å; F139-Y169 HydrophobicContact CD2-CD2 3.91Å; F139-Y169 HydrophobicContact CD2-CG 4.01Å; F139-Y169 HydrophobicContact CG-CG 4.49Å; F139-R171 VanDerWaalsContact CD1-NE 3.31Å
140Q98.4Very high97.9Very high112 Ų11251 Ų5152%0.52322%0.22SC..Hα-helixtrans-69.9-44.1175.3-69.4177.1400112.2E136 D137 L138 Y169E136-Q140 WeakPolarHBondContact O-CG 3.01Å; E136-Q140 PolarHBondContact O-N 3.21Å; D137-Q140 PolarHBondContact O-N 2.87Å; L138-Q140 VanDerWaalsContact C-N 3.32Å; L138-Q140 PolarHBondContact O-N 3.16Å; Q140-Y169 HydrophobicContact CG-CE1 3.65Å; Q140-Y169 PolarHBondContact NE2-OH 3Å
141R98.4Very high97.8Very high137 Ų13747.6 Ų47.652%0.51721%0.207SC..Hα-helixtrans-70.9-38.8-177-17268.9177.5117.5-3.8112.4M56 E60 D137 L138 P143M56-R141 HydrophobicContact CE-CB 4.22Å; M56-R141 HydrophobicContact CE-CG 4.41Å; M56-R141 HydrophobicContact SD-CB 4.28Å; M56-R141 HydrophobicContact SD-CG 3.89Å; E60-R141 IonicContact OE1-CZ 3.64Å; E60-R141 VanDerWaalsContact OE1-CZ 3.24Å; E60-R141 IonicContact OE1-NE 3.93Å; E60-R141 PolarHBondContact OE1-NE 3.15Å; E60-R141 IonicContact OE1-NH2 3.43Å; E60-R141 PolarHBondContact OE1-NH2 3.09Å; D137-R141 VanDerWaalsContact O-CB 3.25Å; D137-R141 WeakPolarHBondContact O-CB 3.4Å; D137-R141 PolarHBondContact O-N 3.39Å; L138-R141 PolarHBondContact O-N 3.45Å; R141-P143 VanDerWaalsContact C-CD 3.45Å; R141-P143 WeakPolarHBondContact O-CD 3.42Å
142F98.1Very high97.2Very high21 Ų2143.6 Ų43.69%0.09219%0.194CC..  trans-126.663.4-173.7-52.4-62.9000112.1M56 M59 E60 M63 L70 L138 R144 T145 M147 R171M56-F142 HydrophobicContact SD-CE2 3.91Å; M56-F142 HydrophobicContact SD-CZ 4.33Å; M59-F142 HydrophobicContact CB-CE2 3.76Å; M59-F142 HydrophobicContact CB-CZ 4.28Å; E60-F142 HydrophobicContact CG-CZ 3.78Å; M63-F142 HydrophobicContact CB-CE1 4.02Å; M63-F142 HydrophobicContact CG-CD1 3.8Å; M63-F142 HydrophobicContact CG-CE1 3.58Å; M63-F142 HydrophobicContact CG-CE2 4.46Å; M63-F142 HydrophobicContact CG-CG 4.32Å; M63-F142 HydrophobicContact CG-CZ 3.94Å; L70-F142 HydrophobicContact CD1-CD2 4.27Å; L138-F142 HydrophobicContact CD2-CD2 4.32Å; L138-F142 HydrophobicContact CD2-CE2 4.19Å; L138-F142 PolarHBondContact O-N 2.85Å; F142-R144 PolarHBondContact O-N 3.48Å; F142-T145 PolarHBondContact O-N 2.87Å; F142-T145 VanDerWaalsContact O-N 3.15Å; F142-M147 HydrophobicContact CB-CE 4.01Å; F142-M147 HydrophobicContact CD2-CE 4.48Å; F142-R171 PolarHBondContact O-NH1 3.31Å; F142-R171 VanDerWaalsContact O-NH1 3.17Å
143P97.6Very high96.7Very high81 Ų8144.5 Ų44.553%0.52621%0.207SC..THydrogen-bonded Turntrans-65.4-18.1-168.326-36000114.3F139 R141 R171F139-P143 VanDerWaalsContact O-CA 3.28Å; F139-P143 WeakPolarHBondContact O-CA 3.11Å; R141-P143 VanDerWaalsContact C-CD 3.45Å; R141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-R171 PolarHBondContact O-NH1 3.28Å
144R96.9Very high96.4Very high228 Ų22849.1 Ų49.186%0.8623%0.231SC*.THydrogen-bonded Turntrans-112.4-2.7-179.4-62-175-178.5-174.30.1114.2F142 P146F142-R144 PolarHBondContact O-N 3.48Å; R144-P146 WeakPolarHBondContact O-CD 3.31Å
145T97.9Very high96.2Very high17 Ų1748 Ų4810%0.10423%0.231CC..SBendtrans-81.6125.4-177.9-61.50000109.6M63 L70 F142 R171M63-T145 HydrophobicContact CE-CG2 3.85Å; M63-T145 VanDerWaalsContact CE-OG1 3.23Å; M63-T145 WeakPolarHBondContact CE-OG1 3.41Å; M63-T145 HydrophobicContact SD-CG2 3.49Å; M63-T145 WeakPolarHBondContact SD-CG2 3.45Å; L70-T145 HydrophobicContact CD1-CG2 4Å; L70-T145 HydrophobicContact CG-CG2 3.98Å; F142-T145 PolarHBondContact O-N 2.87Å; F142-T145 VanDerWaalsContact O-N 3.15Å; T145-R171 PolarHBondContact O-NH2 3.35Å
146P98.4Very high96.1Very high15 Ų1553.5 Ų53.510%0.09726%0.257CS..  trans-60.7143.7171.9-23.234000112.6F37 D68 L69 L70 R144 I174F37-P146 HydrophobicContact CB-CG 3.93Å; F37-P146 HydrophobicContact CD1-CB 4.11Å; F37-P146 HydrophobicContact CD1-CG 3.91Å; F37-P146 HydrophobicContact CD2-CB 3.64Å; F37-P146 HydrophobicContact CD2-CG 3.52Å; F37-P146 HydrophobicContact CE1-CB 3.98Å; F37-P146 HydrophobicContact CE1-CG 4.3Å; F37-P146 HydrophobicContact CE2-CB 3.46Å; F37-P146 VanDerWaalsContact CE2-CB 3.46Å; F37-P146 HydrophobicContact CE2-CG 3.93Å; F37-P146 HydrophobicContact CG-CB 3.95Å; F37-P146 HydrophobicContact CG-CG 3.51Å; F37-P146 HydrophobicContact CZ-CB 3.63Å; F37-P146 HydrophobicContact CZ-CG 4.28Å; D68-P146 WeakPolarHBondContact O-CD 3.43Å; D68-P146 WeakPolarHBondContact O-CG 3.4Å; L69-P146 WeakPolarHBondContact CA-O 3.41Å; L69-P146 HydrophobicContact CD1-CB 3.91Å; L70-P146 PolarHBondContact N-O 2.89Å; L70-P146 VanDerWaalsContact N-O 3.09Å; R144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-I174 CarbonylContact C-O 3.4Å; P146-I174 WeakPolarHBondContact CA-O 3.46Å; P146-I174 HydrophobicContact CB-CB 4.47Å
147M98.5Very high96Very high0 Ų055 Ų550%026%0.264CS..EExtended strand (participates in β ladder)trans-134.1137.5179.8-65.6174.3-175.400111L70 L72 L138 F139 F142 R171 I174 T175 I176L70-M147 HydrophobicContact CB-CG 4.26Å; L70-M147 HydrophobicContact CD1-CE 4.14Å; L70-M147 CarbonylContact O-C 3.41Å; L70-M147 VanDerWaalsContact O-CA 3.26Å; L70-M147 WeakPolarHBondContact O-CA 3.48Å; L72-M147 HydrophobicContact CD1-CB 4.11Å; L72-M147 HydrophobicContact CD1-CG 4.1Å; L72-M147 HydrophobicContact CD1-SD 3.84Å; L138-M147 HydrophobicContact CB-CE 3.85Å; L138-M147 HydrophobicContact CB-SD 4.35Å; F139-M147 HydrophobicContact CD1-CE 4.36Å; F139-M147 HydrophobicContact CD1-SD 3.68Å; F139-M147 HydrophobicContact CE1-SD 3.59Å; F139-M147 VanDerWaalsContact CE1-SD 3.59Å; F142-M147 HydrophobicContact CB-CE 4.01Å; F142-M147 HydrophobicContact CD2-CE 4.48Å; M147-R171 PolarHBondContact SD-NH2 3.1Å; M147-I174 PolarHBondContact N-O 2.92Å; M147-T175 CarbonylContact O-C 3.14Å; M147-T175 WeakPolarHBondContact O-CA 3.29Å; M147-I176 PolarHBondContact O-N 3.1Å
148S98.2Very high96Very high1 Ų153.3 Ų53.31%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-98.3119.4167.3178.60000108.1L70 L72 A178 F227L70-S148 PolarHBondContact O-N 2.56Å; L72-S148 PolarHBondContact N-O 3.24Å; S148-A178 WeakPolarHBondContact OG-CB 3.32Å; S148-F227 WeakPolarHBondContact OG-CE2 3.03Å
149V98Very high96Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-106.4106.2179.9177.50000108.5L72 C74 L135 I151 I162 T175 I176 A178L72-V149 CarbonylContact O-C 3.53Å; L72-V149 WeakPolarHBondContact O-CA 3.33Å; C74-V149 HydrophobicContact CB-CG1 4.1Å; L135-V149 HydrophobicContact CD1-CG2 4.31Å; L135-V149 HydrophobicContact CD2-CG2 4.44Å; V149-I151 HydrophobicContact CG1-CD1 4.22Å; V149-I162 HydrophobicContact CG1-CD1 3.75Å; V149-I162 HydrophobicContact CG1-CG2 4.17Å; V149-T175 HydrophobicContact CG2-CG2 3.76Å; V149-I176 PolarHBondContact N-O 3.34Å; V149-A178 PolarHBondContact O-N 3.44Å
150E96.8Very high96Very high26 Ų2656.4 Ų56.412%0.12128%0.276CS..EExtended strand (participates in β ladder)trans-88.7130.2179.6-170.8168.3177.900112.3L72 C74 K152 A178L72-E150 PolarHBondContact O-N 3.17Å; C74-E150 PolarHBondContact N-O 2.62Å; C74-E150 VanDerWaalsContact N-O 3.17Å; E150-K152 HydrophobicContact CG-CD 4.27Å; E150-K152 WeakPolarHBondContact OE1-CD 2.99Å; E150-K152 VanDerWaalsContact OE1-CE 3.24Å; E150-K152 WeakPolarHBondContact OE1-CE 3.4Å; E150-K152 IonicContact OE1-NZ 3.36Å; E150-K152 PolarHBondContact OE1-NZ 2.96Å; E150-K152 IonicContact OE2-NZ 2.66Å; E150-K152 PolarHBondContact OE2-NZ 2.89Å; E150-A178 CarbonylContact C-O 3.5Å; E150-A178 VanDerWaalsContact CA-O 3.32Å; E150-A178 WeakPolarHBondContact CA-O 3.16Å; E150-A178 HydrophobicContact CB-CB 3.98Å; E150-A178 HydrophobicContact CG-CB 4.24Å
151I95.1Very high96Very high0 Ų053.4 Ų53.40%026%0.262CS..  trans-108.1105.6174.6-49.1-59.8000108.9V149 G153 L158 I159 I162 W177 A178 S179 V184V149-I151 HydrophobicContact CG1-CD1 4.22Å; I151-G153 WeakPolarHBondContact CG2-O 3.39Å; I151-L158 HydrophobicContact CD1-CD2 4.02Å; I151-L158 HydrophobicContact CD1-CG 4.18Å; I151-L158 HydrophobicContact CG2-CD2 4.37Å; I151-I159 HydrophobicContact CG2-CG1 4.29Å; I151-I162 HydrophobicContact CD1-CD1 3.43Å; I151-I162 VanDerWaalsContact CD1-CD1 3.43Å; I151-W177 HydrophobicContact CD1-CZ3 4.05Å; I151-W177 HydrophobicContact CG1-CE3 4.18Å; I151-W177 HydrophobicContact CG1-CZ3 3.89Å; I151-A178 PolarHBondContact N-O 2.73Å; I151-S179 WeakPolarHBondContact O-CB 3.18Å; I151-S179 PolarHBondContact O-OG 3.07Å; I151-V184 HydrophobicContact CB-CG1 3.95Å; I151-V184 HydrophobicContact CG2-CG1 3.69Å
152K83.9Confident96Very high88 Ų8846.9 Ų46.938%0.38324%0.237SC..  trans-80.4-36.5178.9-62.7-70-179.2-1710112.8D73 E150D73-K152 WeakPolarHBondContact OD1-CE 3.3Å; D73-K152 IonicContact OD1-NZ 3.66Å; E150-K152 HydrophobicContact CG-CD 4.27Å; E150-K152 WeakPolarHBondContact OE1-CD 2.99Å; E150-K152 VanDerWaalsContact OE1-CE 3.24Å; E150-K152 WeakPolarHBondContact OE1-CE 3.4Å; E150-K152 IonicContact OE1-NZ 3.36Å; E150-K152 PolarHBondContact OE1-NZ 2.96Å; E150-K152 IonicContact OE2-NZ 2.66Å; E150-K152 PolarHBondContact OE2-NZ 2.89Å
153G86.1Confident96Very high31 Ų3145.9 Ų45.932%0.3223%0.233SC..SBendtrans-97165.8-17600000114.4I151 N155I151-G153 WeakPolarHBondContact CG2-O 3.39Å; G153-N155 VanDerWaalsContact C-N 3.33Å; G153-N155 PolarHBondContact O-N 3.08Å
154N90.6Very high96.1Very high105 Ų10545.4 Ų45.456%0.56123%0.226SC*.  trans-90.868.7171-177.432.5000110.6V184 K187N154-V184 HydrophobicContact CB-CG2 4.3Å; N154-K187 PolarHBondContact OD1-NZ 2.84Å
155N94.1Very high96.2Very high54 Ų5434.9 Ų34.929%0.28919%0.187SC..  trans-113.3103.8-178.3-173.9-21.4000110.4G153 E157 L158 I159G153-N155 VanDerWaalsContact C-N 3.33Å; G153-N155 PolarHBondContact O-N 3.08Å; N155-E157 WeakPolarHBondContact OD1-CB 3.32Å; N155-E157 PolarHBondContact OD1-N 3.02Å; N155-E157 VanDerWaalsContact OD1-N 3.07Å; N155-L158 HydrophobicContact CB-CB 3.88Å; N155-L158 HydrophobicContact CB-CD2 4.48Å; N155-L158 PolarHBondContact OD1-N 3.46Å; N155-I159 WeakPolarHBondContact O-CD1 3.39Å; N155-I159 VanDerWaalsContact O-CG1 3.3Å; N155-I159 WeakPolarHBondContact O-CG1 3.49Å; N155-I159 PolarHBondContact O-N 2.85Å
156E96.6Very high96.2Very high116 Ų11634 Ų3454%0.54218%0.182SC..Hα-helixtrans-69.3-32.8-179.9-77.8179.4-154.100113I159 C160 K187E156-I159 PolarHBondContact O-N 2.9Å; E156-C160 PolarHBondContact O-N 3.34Å; E156-C160 PolarHBondContact O-SG 2.64Å; E156-C160 VanDerWaalsContact O-SG 3.34Å; E156-K187 HydrophobicContact CG-CD 3.81Å; E156-K187 WeakPolarHBondContact OE1-CE 3.44Å; E156-K187 IonicContact OE1-NZ 2.83Å; E156-K187 PolarHBondContact OE1-NZ 2.91Å
157E97.4Very high96.2Very high85 Ų8538.7 Ų38.740%0.39720%0.197SC..Hα-helixtrans-67-45.4179-168.3166.2-14200110.6L76 K80 N155 I159 C160 E161L76-E157 HydrophobicContact CD2-CB 4Å; L76-E157 HydrophobicContact CD2-CG 3.73Å; K80-E157 WeakPolarHBondContact CD-OE1 3.35Å; K80-E157 WeakPolarHBondContact CE-OE1 3.19Å; K80-E157 IonicContact NZ-OE1 3.67Å; K80-E157 PolarHBondContact NZ-OE1 3.44Å; N155-E157 WeakPolarHBondContact OD1-CB 3.32Å; N155-E157 PolarHBondContact OD1-N 3.02Å; N155-E157 VanDerWaalsContact OD1-N 3.07Å; E157-I159 VanDerWaalsContact C-N 3.29Å; E157-I159 PolarHBondContact O-N 2.92Å; E157-C160 PolarHBondContact O-N 3.06Å; E157-C160 VanDerWaalsContact O-N 3.15Å; E157-E161 WeakPolarHBondContact O-CG 3.39Å; E157-E161 PolarHBondContact O-N 3.33Å
158L98.3Very high96.2Very high2 Ų246 Ų461%0.0123%0.225CC..Hα-helixtrans-55.2-44.9172.7175.359.9000112C74 L76 V82 I151 N155 C160 E161 I162C74-L158 HydrophobicContact CB-CD1 4.35Å; C74-L158 WeakPolarHBondContact O-CD2 3.17Å; L76-L158 HydrophobicContact CB-CB 4.16Å; L76-L158 HydrophobicContact CB-CD1 4.08Å; L76-L158 HydrophobicContact CD1-CD1 4.26Å; V82-L158 HydrophobicContact CG1-CD1 3.91Å; V82-L158 HydrophobicContact CG2-CD1 4.14Å; I151-L158 HydrophobicContact CD1-CD2 4.02Å; I151-L158 HydrophobicContact CD1-CG 4.18Å; I151-L158 HydrophobicContact CG2-CD2 4.37Å; N155-L158 HydrophobicContact CB-CB 3.88Å; N155-L158 HydrophobicContact CB-CD2 4.48Å; N155-L158 PolarHBondContact OD1-N 3.46Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-C160 PolarHBondContact O-N 3.23Å; L158-E161 PolarHBondContact O-N 3.33Å; L158-I162 HydrophobicContact CD1-CD1 3.55Å; L158-I162 HydrophobicContact CD1-CG1 4.08Å; L158-I162 HydrophobicContact CG-CD1 3.82Å; L158-I162 WeakPolarHBondContact O-CB 3.44Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.25Å; L158-I162 PolarHBondContact O-N 3.29Å
159I98.5Very high96.2Very high3 Ų349.2 Ų49.22%0.01524%0.237CC..Hα-helixtrans-62.1-43.8179.1-68.6167.2000110.8I151 N155 E156 E157 A163 W177 V184 K187 A191I151-I159 HydrophobicContact CG2-CG1 4.29Å; N155-I159 WeakPolarHBondContact O-CD1 3.39Å; N155-I159 VanDerWaalsContact O-CG1 3.3Å; N155-I159 WeakPolarHBondContact O-CG1 3.49Å; N155-I159 PolarHBondContact O-N 2.85Å; E156-I159 PolarHBondContact O-N 2.9Å; E157-I159 VanDerWaalsContact C-N 3.29Å; E157-I159 PolarHBondContact O-N 2.92Å; I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.35Å; I159-W177 HydrophobicContact CG2-CH2 4.08Å; I159-W177 HydrophobicContact CG2-CZ2 4.34Å; I159-V184 HydrophobicContact CD1-CG1 4.21Å; I159-K187 HydrophobicContact CD1-CB 3.83Å; I159-A191 HydrophobicContact CG2-CB 3.4Å
160C98.4Very high96.2Very high63 Ų6355.9 Ų55.943%0.42627%0.273SS..Hα-helixtrans-64.9-47.1177.7-71.20000111.8E156 E157 L158 I162 A163 D164E156-C160 PolarHBondContact O-N 3.34Å; E156-C160 PolarHBondContact O-SG 2.64Å; E156-C160 VanDerWaalsContact O-SG 3.34Å; E157-C160 PolarHBondContact O-N 3.06Å; E157-C160 VanDerWaalsContact O-N 3.15Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-C160 PolarHBondContact O-N 3.23Å; C160-I162 VanDerWaalsContact C-N 3.33Å; C160-I162 PolarHBondContact O-N 3Å; C160-A163 WeakPolarHBondContact O-CB 3.5Å; C160-A163 PolarHBondContact O-N 3.28Å; C160-A163 VanDerWaalsContact O-N 3.16Å; C160-D164 WeakPolarHBondContact O-CB 3.5Å; C160-D164 PolarHBondContact O-N 2.8Å
161E98.5Very high96.2Very high48 Ų4854.8 Ų54.822%0.22427%0.267CS..Hα-helixtrans-61.6-40.7179.6-69.2-59.7156.300112L76 V82 E157 L158 D164 L165L76-E161 HydrophobicContact CD1-CB 4.31Å; L76-E161 HydrophobicContact CD1-CG 4.15Å; V82-E161 HydrophobicContact CG2-CB 3.72Å; E157-E161 WeakPolarHBondContact O-CG 3.39Å; E157-E161 PolarHBondContact O-N 3.33Å; L158-E161 PolarHBondContact O-N 3.33Å; E161-D164 PolarHBondContact O-N 3.45Å; E161-L165 WeakPolarHBondContact O-CB 3.48Å; E161-L165 WeakPolarHBondContact O-CG 3.27Å; E161-L165 PolarHBondContact O-N 3.04Å
162I98.6Very high96.3Very high0 Ų055.6 Ų55.60%027%0.272CS..Hα-helixtrans-65.2-46173.8-69.6164.8000110.9C74 V82 L135 V149 I151 L158 C160 D164 L165 V166 W177C74-I162 HydrophobicContact CB-CD1 3.95Å; V82-I162 HydrophobicContact CB-CG1 4.5Å; V82-I162 HydrophobicContact CG1-CD1 4.12Å; V82-I162 HydrophobicContact CG1-CG1 3.75Å; V82-I162 HydrophobicContact CG2-CG1 4.01Å; L135-I162 HydrophobicContact CD2-CG1 4.02Å; L135-I162 HydrophobicContact CD2-CG2 4.35Å; V149-I162 HydrophobicContact CG1-CD1 3.75Å; V149-I162 HydrophobicContact CG1-CG2 4.17Å; I151-I162 HydrophobicContact CD1-CD1 3.43Å; I151-I162 VanDerWaalsContact CD1-CD1 3.43Å; L158-I162 HydrophobicContact CD1-CD1 3.55Å; L158-I162 HydrophobicContact CD1-CG1 4.08Å; L158-I162 HydrophobicContact CG-CD1 3.82Å; L158-I162 WeakPolarHBondContact O-CB 3.44Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.25Å; L158-I162 PolarHBondContact O-N 3.29Å; C160-I162 VanDerWaalsContact C-N 3.33Å; C160-I162 PolarHBondContact O-N 3Å; I162-D164 VanDerWaalsContact C-N 3.25Å; I162-D164 PolarHBondContact O-N 3.34Å; I162-L165 PolarHBondContact O-N 2.95Å; I162-V166 HydrophobicContact CG2-CG2 4.23Å; I162-V166 VanDerWaalsContact O-CG2 3.29Å; I162-V166 WeakPolarHBondContact O-CG2 3.44Å; I162-V166 PolarHBondContact O-N 2.97Å; I162-W177 HydrophobicContact CB-CH2 3.74Å; I162-W177 HydrophobicContact CB-CZ3 4.19Å; I162-W177 HydrophobicContact CD1-CZ3 4.36Å; I162-W177 HydrophobicContact CG2-CH2 3.41Å; I162-W177 VanDerWaalsContact CG2-CH2 3.41Å; I162-W177 HydrophobicContact CG2-CZ2 4.24Å; I162-W177 HydrophobicContact CG2-CZ3 3.68Å
163A98.6Very high96.9Very high1 Ų157.7 Ų57.71%0.00828%0.283CS..Hα-helixtrans-57.7-41.6178.100000111.5I159 C160 V166 R167 W177 A191 N192I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.35Å; C160-A163 WeakPolarHBondContact O-CB 3.5Å; C160-A163 PolarHBondContact O-N 3.28Å; C160-A163 VanDerWaalsContact O-N 3.16Å; A163-V166 PolarHBondContact O-N 3.24Å; A163-R167 WeakPolarHBondContact O-CG 3.19Å; A163-R167 PolarHBondContact O-N 3.25Å; A163-W177 HydrophobicContact CB-CZ2 4.25Å; A163-A191 HydrophobicContact CB-CB 4.18Å; A163-N192 HydrophobicContact CB-CB 3.97Å
164D98.6Very high97.4Very high70 Ų7057.9 Ų57.937%0.37428%0.276SS..Hα-helixtrans-71.9-38.5179.1-71.9-14.9000112.4C160 E161 I162 R167 R168C160-D164 WeakPolarHBondContact O-CB 3.5Å; C160-D164 PolarHBondContact O-N 2.8Å; E161-D164 PolarHBondContact O-N 3.45Å; I162-D164 VanDerWaalsContact C-N 3.25Å; I162-D164 PolarHBondContact O-N 3.34Å; D164-R167 PolarHBondContact O-N 3.46Å; D164-R167 IonicContact OD1-NH1 2.77Å; D164-R167 PolarHBondContact OD1-NH1 3.27Å; D164-R168 WeakPolarHBondContact O-CB 3.34Å; D164-R168 VanDerWaalsContact O-CG 3.25Å; D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 2.74Å; D164-R168 PolarHBondContact O-NE 3.39Å
165L98.5Very high97.8Very high7 Ų752.9 Ų52.94%0.03725%0.25CC..Hα-helixtrans-59.2-48.4169.4-79.6169.6000111.4V82 L135 E136 F139 E161 I162 R167 R168 Y169V82-L165 HydrophobicContact CB-CD1 4.04Å; V82-L165 HydrophobicContact CG2-CD1 3.87Å; L135-L165 HydrophobicContact CD2-CD1 4.39Å; E136-L165 HydrophobicContact CB-CD2 3.95Å; E136-L165 HydrophobicContact CG-CD2 4.05Å; F139-L165 HydrophobicContact CD2-CB 4.38Å; F139-L165 HydrophobicContact CE2-CB 3.9Å; E161-L165 WeakPolarHBondContact O-CB 3.48Å; E161-L165 WeakPolarHBondContact O-CG 3.27Å; E161-L165 PolarHBondContact O-N 3.04Å; I162-L165 PolarHBondContact O-N 2.95Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.38Å; L165-R168 PolarHBondContact O-N 2.91Å; L165-Y169 HydrophobicContact CD2-CD2 4.46Å; L165-Y169 HydrophobicContact CD2-CE2 4.11Å; L165-Y169 WeakPolarHBondContact O-CD2 3.49Å; L165-Y169 PolarHBondContact O-N 3.3Å
166V98.6Very high98Very high0 Ų050.3 Ų50.30%024%0.236CC..Hα-helixtrans-61.1-40.3-178.7172.80000111.5F139 I162 A163 D170 R171 N172 T175 M195F139-V166 HydrophobicContact CE2-CG2 4.01Å; F139-V166 HydrophobicContact CZ-CG2 3.93Å; I162-V166 HydrophobicContact CG2-CG2 4.23Å; I162-V166 VanDerWaalsContact O-CG2 3.29Å; I162-V166 WeakPolarHBondContact O-CG2 3.44Å; I162-V166 PolarHBondContact O-N 2.97Å; A163-V166 PolarHBondContact O-N 3.24Å; V166-D170 PolarHBondContact O-N 3.33Å; V166-R171 HydrophobicContact CG1-CB 4.07Å; V166-R171 PolarHBondContact O-N 3Å; V166-N172 WeakPolarHBondContact CG1-OD1 3.23Å; V166-T175 HydrophobicContact CG2-CG2 3.77Å; V166-M195 HydrophobicContact CB-SD 4.02Å; V166-M195 HydrophobicContact CG1-CE 4.49Å; V166-M195 HydrophobicContact CG1-CG 3.98Å; V166-M195 HydrophobicContact CG1-SD 3.74Å; V166-M195 HydrophobicContact CG2-CE 4.06Å; V166-M195 HydrophobicContact CG2-SD 3.99Å
167R98.4Very high98.1Very high112 Ų11244.8 Ų44.842%0.42321%0.21SC..Hα-helixtrans-66.2-46174.1-71.1179.7-170.5110.52.3112.6A163 D164 L165 Y169 D170 A191A163-R167 WeakPolarHBondContact O-CG 3.19Å; A163-R167 PolarHBondContact O-N 3.25Å; D164-R167 PolarHBondContact O-N 3.46Å; D164-R167 IonicContact OD1-NH1 2.77Å; D164-R167 PolarHBondContact OD1-NH1 3.27Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.38Å; R167-Y169 PolarHBondContact O-N 2.83Å; R167-D170 PolarHBondContact O-N 3.01Å; R167-D170 VanDerWaalsContact O-N 3.13Å; R167-A191 PolarHBondContact NH2-O 3.07Å
168R98.3Very high98.1Very high154 Ų15440.9 Ų40.958%0.58119%0.192SC*.Hα-helixtrans-58.8-35.8-178.8-80.6-173.7-69.4173.3-7.6112.4D164 L165D164-R168 WeakPolarHBondContact O-CB 3.34Å; D164-R168 VanDerWaalsContact O-CG 3.25Å; D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 2.74Å; D164-R168 PolarHBondContact O-NE 3.39Å; L165-R168 PolarHBondContact O-N 2.91Å
169Y98.4Very high98Very high69 Ų6941 Ų4127%0.27119%0.193SC..THydrogen-bonded Turntrans-95.54.1-179.7-74.7-91.6000114.1E136 F139 Q140 L165 R167 R171E136-Y169 VanDerWaalsContact CD-OH 3.31Å; E136-Y169 HydrophobicContact CG-CE2 3.77Å; E136-Y169 WeakPolarHBondContact CG-OH 3.46Å; E136-Y169 WeakPolarHBondContact OE1-CE2 3.3Å; E136-Y169 PolarHBondContact OE1-OH 3.35Å; F139-Y169 HydrophobicContact CB-CD1 3.96Å; F139-Y169 HydrophobicContact CB-CD2 4.38Å; F139-Y169 HydrophobicContact CB-CE1 4.35Å; F139-Y169 HydrophobicContact CB-CG 3.98Å; F139-Y169 AromaticContact CD2-CD2 3.91Å; F139-Y169 HydrophobicContact CD2-CD2 3.91Å; F139-Y169 HydrophobicContact CD2-CG 4.01Å; F139-Y169 HydrophobicContact CG-CG 4.49Å; Q140-Y169 HydrophobicContact CG-CE1 3.65Å; Q140-Y169 PolarHBondContact NE2-OH 3Å; L165-Y169 HydrophobicContact CD2-CD2 4.46Å; L165-Y169 HydrophobicContact CD2-CE2 4.11Å; L165-Y169 WeakPolarHBondContact O-CD2 3.49Å; L165-Y169 PolarHBondContact O-N 3.3Å; R167-Y169 PolarHBondContact O-N 2.83Å; Y169-R171 WeakPolarHBondContact O-CG 3.41Å
170D97.9Very high97.7Very high139 Ų13945.1 Ų45.174%0.74321%0.212SC*.THydrogen-bonded Turntrans55.551.1-179.1-167.231.3000113.7V166 R167V166-D170 PolarHBondContact O-N 3.33Å; R167-D170 PolarHBondContact O-N 3.01Å; R167-D170 VanDerWaalsContact O-N 3.13Å
171R97.5Very high97.5Very high3 Ų346 Ų461%0.01121%0.213CC..  trans-115.417.6-172.3-60.9176.258.883.2-1.3114.2F139 F142 P143 T145 M147 V166 Y169 E173 I174 T175F139-R171 VanDerWaalsContact CD1-NE 3.31Å; F142-R171 PolarHBondContact O-NH1 3.31Å; F142-R171 VanDerWaalsContact O-NH1 3.17Å; P143-R171 PolarHBondContact O-NH1 3.28Å; T145-R171 PolarHBondContact O-NH2 3.35Å; M147-R171 PolarHBondContact SD-NH2 3.1Å; V166-R171 HydrophobicContact CG1-CB 4.07Å; V166-R171 PolarHBondContact O-N 3Å; Y169-R171 WeakPolarHBondContact O-CG 3.41Å; R171-E173 VanDerWaalsContact C-N 3.28Å; R171-E173 PolarHBondContact O-N 3.32Å; R171-I174 HydrophobicContact CB-CD1 4.48Å; R171-I174 HydrophobicContact CB-CG1 4.03Å; R171-I174 HydrophobicContact CG-CD1 4.38Å; R171-I174 HydrophobicContact CG-CG1 4.46Å; R171-I174 PolarHBondContact O-N 3.49Å; R171-T175 WeakPolarHBondContact CB-OG1 3.34Å; R171-T175 WeakPolarHBondContact O-CB 2.98Å; R171-T175 PolarHBondContact O-N 2.86Å; R171-T175 PolarHBondContact O-OG1 2.64Å
172N97.1Very high97.4Very high18 Ų1852.3 Ų52.310%0.09624%0.235CC..THydrogen-bonded Turntrans-54.7-42.6-174.5-72.7-32.5000112.3V166 I174 N192 E194 M195 P196V166-N172 WeakPolarHBondContact CG1-OD1 3.23Å; N172-I174 PolarHBondContact O-N 3.21Å; N172-N192 PolarHBondContact OD1-ND2 2.96Å; N172-E194 HydrophobicContact CB-CB 3.91Å; N172-E194 PolarHBondContact ND2-OE2 3.42Å; N172-M195 WeakPolarHBondContact O-CA 3.27Å; N172-P196 WeakPolarHBondContact O-CD 3.37Å
173E95.9Very high97.2Very high132 Ų13255.5 Ų55.562%0.61726%0.257SS*.THydrogen-bonded Turntrans-80.1-16.6-175.3-59.7-170.4156.400114.3T36 R171T36-E173 HydrophobicContact CG2-CB 4.21Å; T36-E173 WeakPolarHBondContact CG2-OE2 3.47Å; T36-E173 PolarHBondContact OG1-O 3.49Å; R171-E173 VanDerWaalsContact C-N 3.28Å; R171-E173 PolarHBondContact O-N 3.32Å
174I97.5Very high97.1Very high34 Ų3455.6 Ų55.617%0.17426%0.257CS..THydrogen-bonded Turntrans-117.61.4-173.163.5169000113.8F37 P146 M147 R171 N172F37-I174 HydrophobicContact CD1-CG2 4.2Å; P146-I174 CarbonylContact C-O 3.4Å; P146-I174 WeakPolarHBondContact CA-O 3.46Å; P146-I174 HydrophobicContact CB-CB 4.47Å; M147-I174 PolarHBondContact N-O 2.92Å; R171-I174 HydrophobicContact CB-CD1 4.48Å; R171-I174 HydrophobicContact CB-CG1 4.03Å; R171-I174 HydrophobicContact CG-CD1 4.38Å; R171-I174 HydrophobicContact CG-CG1 4.46Å; R171-I174 PolarHBondContact O-N 3.49Å; N172-I174 PolarHBondContact O-N 3.21Å
175T98.4Very high97.1Very high0 Ų053 Ų530%024%0.243CC..EExtended strand (participates in β ladder)trans-112.1120174.1-46.90000110.1M147 V149 V166 R171 M195 P196M147-T175 CarbonylContact O-C 3.14Å; M147-T175 WeakPolarHBondContact O-CA 3.29Å; V149-T175 HydrophobicContact CG2-CG2 3.76Å; V166-T175 HydrophobicContact CG2-CG2 3.77Å; R171-T175 WeakPolarHBondContact CB-OG1 3.34Å; R171-T175 WeakPolarHBondContact O-CB 2.98Å; R171-T175 PolarHBondContact O-N 2.86Å; R171-T175 PolarHBondContact O-OG1 2.64Å; T175-M195 HydrophobicContact CG2-CE 3.66Å; T175-M195 WeakPolarHBondContact O-CE 3.36Å; T175-P196 VanDerWaalsContact O-CD 3.31Å; T175-P196 WeakPolarHBondContact O-CD 3.19Å
176I98.4Very high97Very high0 Ų060.5 Ų60.50%028%0.276CS..EExtended strand (participates in β ladder)trans-95.8129.6-175.1-45.7167.1000109F37 L69 M147 V149 A178 P196 F225 F227F37-I176 HydrophobicContact CE2-CD1 4.3Å; F37-I176 HydrophobicContact CZ-CD1 3.84Å; F37-I176 HydrophobicContact CZ-CG1 3.97Å; L69-I176 HydrophobicContact CD1-CD1 3.74Å; L69-I176 HydrophobicContact CD2-CD1 4.19Å; M147-I176 PolarHBondContact O-N 3.1Å; V149-I176 PolarHBondContact N-O 3.34Å; I176-A178 PolarHBondContact O-N 3.49Å; I176-P196 WeakPolarHBondContact CA-O 3.26Å; I176-P196 HydrophobicContact CB-CG 4.47Å; I176-P196 HydrophobicContact CG1-CG 4.12Å; I176-P196 WeakPolarHBondContact CG2-O 3.5Å; I176-F225 HydrophobicContact CB-CD2 4.44Å; I176-F225 HydrophobicContact CD1-CD1 3.84Å; I176-F225 HydrophobicContact CD1-CD2 3.65Å; I176-F225 HydrophobicContact CD1-CE1 3.83Å; I176-F225 HydrophobicContact CD1-CE2 3.65Å; I176-F225 HydrophobicContact CD1-CG 3.76Å; I176-F225 HydrophobicContact CD1-CZ 3.75Å; I176-F225 HydrophobicContact CG1-CD2 3.89Å; I176-F225 HydrophobicContact CG1-CE2 3.73Å; I176-F225 HydrophobicContact CG1-CG 4.48Å; I176-F225 HydrophobicContact CG1-CZ 4.19Å; I176-F225 HydrophobicContact CG2-CB 4.4Å; I176-F225 HydrophobicContact CG2-CD2 3.69Å; I176-F225 HydrophobicContact CG2-CE2 4.33Å; I176-F225 HydrophobicContact CG2-CG 4.23Å; I176-F227 HydrophobicContact CD1-CE2 4.49Å; I176-F227 HydrophobicContact CD1-CZ 3.94Å; I176-F227 HydrophobicContact CG2-CE2 4.48Å
177W98.3Very high96.9Very high0 Ų062.9 Ų62.90%029%0.286CS..EExtended strand (participates in β ladder)trans-73.4120.9163.3-80127.9000110.2I151 I159 I162 A163 M185 C188 N192 M195 P196 L197 S198I151-W177 HydrophobicContact CD1-CZ3 4.05Å; I151-W177 HydrophobicContact CG1-CE3 4.18Å; I151-W177 HydrophobicContact CG1-CZ3 3.89Å; I159-W177 HydrophobicContact CG2-CH2 4.08Å; I159-W177 HydrophobicContact CG2-CZ2 4.34Å; I162-W177 HydrophobicContact CB-CH2 3.74Å; I162-W177 HydrophobicContact CB-CZ3 4.19Å; I162-W177 HydrophobicContact CD1-CZ3 4.36Å; I162-W177 HydrophobicContact CG2-CH2 3.41Å; I162-W177 VanDerWaalsContact CG2-CH2 3.41Å; I162-W177 HydrophobicContact CG2-CZ2 4.24Å; I162-W177 HydrophobicContact CG2-CZ3 3.68Å; A163-W177 HydrophobicContact CB-CZ2 4.25Å; W177-M185 HydrophobicContact CB-SD 4.05Å; W177-M185 WeakPolarHBondContact O-CE 3.48Å; W177-C188 HydrophobicContact CB-CB 4.28Å; W177-C188 HydrophobicContact CD2-CB 3.59Å; W177-C188 HydrophobicContact CE3-CB 3.92Å; W177-C188 HydrophobicContact CG-CB 3.76Å; W177-C188 HydrophobicContact CZ2-CB 4.42Å; W177-C188 HydrophobicContact CZ3-CB 4.46Å; W177-C188 PolarHBondContact NE1-O 3.35Å; W177-N192 PolarHBondContact NE1-O 3.42Å; W177-M195 VanDerWaalsContact CD1-CB 3.48Å; W177-M195 HydrophobicContact CD2-CE 3.6Å; W177-M195 HydrophobicContact CD2-SD 4.27Å; W177-M195 VanDerWaalsContact CE2-CE 3.48Å; W177-M195 VanDerWaalsContact CE2-SD 3.53Å; W177-M195 HydrophobicContact CE3-CE 4.21Å; W177-M195 HydrophobicContact CG-CB 4.35Å; W177-M195 HydrophobicContact CG-CE 3.82Å; W177-M195 HydrophobicContact CZ2-CE 4Å; W177-M195 HydrophobicContact CZ2-SD 3.85Å; W177-M195 PolarHBondContact NE1-SD 3.5Å; W177-P196 PolarHBondContact N-O 3.33Å; W177-L197 HydrophobicContact CB-CD2 3.89Å; W177-L197 HydrophobicContact CG-CD2 4.34Å; W177-S198 PolarHBondContact O-N 3.03Å; W177-S198 PolarHBondContact O-OG 3.34Å
178A97.4Very high96.9Very high3 Ų357.6 Ų57.63%0.02527%0.266CS..EExtended strand (participates in β ladder)trans-118.2137.5171.200000111.9S148 V149 E150 I151 I176 S198S148-A178 WeakPolarHBondContact OG-CB 3.32Å; V149-A178 PolarHBondContact O-N 3.44Å; E150-A178 CarbonylContact C-O 3.5Å; E150-A178 VanDerWaalsContact CA-O 3.32Å; E150-A178 WeakPolarHBondContact CA-O 3.16Å; E150-A178 HydrophobicContact CB-CB 3.98Å; E150-A178 HydrophobicContact CG-CB 4.24Å; I151-A178 PolarHBondContact N-O 2.73Å; I176-A178 PolarHBondContact O-N 3.49Å; A178-S198 WeakPolarHBondContact CA-OG 3.44Å
179S95.9Very high96.9Very high5 Ų554.9 Ų54.94%0.03526%0.258CS..  trans-170.6140.3167.2-172.80000108.8I151 N181 T200I151-S179 WeakPolarHBondContact O-CB 3.18Å; I151-S179 PolarHBondContact O-OG 3.07Å; S179-N181 PolarHBondContact O-N 2.88Å; S179-N181 PolarHBondContact OG-N 2.89Å; S179-T200 WeakPolarHBondContact O-CG2 3.43Å
180E92.9Very high96.8Very high89 Ų8955.5 Ų55.542%0.41628%0.278SS..SBendtrans-72.1-21.3172.6-64.1-172.6159.600112.6T200 I201E180-T200 WeakPolarHBondContact O-CB 3.37Å; E180-I201 HydrophobicContact CB-CD1 3.84Å; E180-I201 HydrophobicContact CB-CG1 3.95Å; E180-I201 HydrophobicContact CG-CD1 4.06Å; E180-I201 HydrophobicContact CG-CG1 4.15Å; E180-I201 PolarHBondContact O-N 2.85Å; E180-I201 WeakPolarHBondContact OE2-CD1 3.39Å
181N94.8Very high96.8Very high83 Ų8349.9 Ų49.944%0.44425%0.251SS..  trans-93122.4-172.1-171.6-46.3000112.3S179 S183 V184 M185S179-N181 PolarHBondContact O-N 2.88Å; S179-N181 PolarHBondContact OG-N 2.89Å; N181-S183 VanDerWaalsContact C-N 3.34Å; N181-S183 PolarHBondContact O-N 3.3Å; N181-S183 WeakPolarHBondContact OD1-CA 3.42Å; N181-S183 VanDerWaalsContact OD1-CB 3.27Å; N181-S183 WeakPolarHBondContact OD1-CB 3.46Å; N181-S183 PolarHBondContact OD1-N 3.29Å; N181-V184 HydrophobicContact CB-CB 4.05Å; N181-V184 HydrophobicContact CB-CG2 3.85Å; N181-V184 PolarHBondContact O-N 2.93Å; N181-V184 PolarHBondContact OD1-N 3.22Å; N181-M185 WeakPolarHBondContact O-CB 3.2Å; N181-M185 PolarHBondContact O-N 2.93Å
182R94.9Very high96.9Very high180 Ų18049.9 Ų49.968%0.67925%0.251SS*.Hα-helixtrans-61.5-36.7179.9-173.6-178.5178.3-150.91114K186R182-K186 PolarHBondContact O-N 3.33Å; R182-K186 VanDerWaalsContact O-N 3.1Å
183S95.8Very high96.8Very high67 Ų6753.2 Ų53.247%0.46927%0.274SS..Hα-helixtrans-66.8-45.2178.8-172.50000110.6N181 K186 K187N181-S183 VanDerWaalsContact C-N 3.34Å; N181-S183 PolarHBondContact O-N 3.3Å; N181-S183 WeakPolarHBondContact OD1-CA 3.42Å; N181-S183 VanDerWaalsContact OD1-CB 3.27Å; N181-S183 WeakPolarHBondContact OD1-CB 3.46Å; N181-S183 PolarHBondContact OD1-N 3.29Å; S183-K186 WeakPolarHBondContact O-CB 3.26Å; S183-K186 PolarHBondContact O-N 3.13Å; S183-K187 PolarHBondContact O-N 2.84Å
184V96.5Very high96.8Very high2 Ų253.3 Ų53.31%0.01227%0.274CS..Hα-helixtrans-63.5-49.61771780000110.4I151 N154 I159 N181 K186 K187 C188I151-V184 HydrophobicContact CB-CG1 3.95Å; I151-V184 HydrophobicContact CG2-CG1 3.69Å; N154-V184 HydrophobicContact CB-CG2 4.3Å; I159-V184 HydrophobicContact CD1-CG1 4.21Å; N181-V184 HydrophobicContact CB-CB 4.05Å; N181-V184 HydrophobicContact CB-CG2 3.85Å; N181-V184 PolarHBondContact O-N 2.93Å; N181-V184 PolarHBondContact OD1-N 3.22Å; V184-K186 PolarHBondContact O-N 3.37Å; V184-K186 VanDerWaalsContact O-N 3.16Å; V184-K187 CarbonylContact O-C 3.13Å; V184-K187 WeakPolarHBondContact O-CA 3.49Å; V184-K187 WeakPolarHBondContact O-CB 3.42Å; V184-K187 PolarHBondContact O-N 3.31Å; V184-C188 PolarHBondContact O-N 3.36Å; V184-C188 PolarHBondContact O-SG 2.86Å; V184-C188 VanDerWaalsContact O-SG 3.35Å
185M96.9Very high96.8Very high15 Ų1552 Ų527%0.07427%0.267CS..Hα-helixtrans-58.6-33178.3-171.758.574.500113.1W177 N181 K187 C188 K189 L197 T200W177-M185 HydrophobicContact CB-SD 4.05Å; W177-M185 WeakPolarHBondContact O-CE 3.48Å; N181-M185 WeakPolarHBondContact O-CB 3.2Å; N181-M185 PolarHBondContact O-N 2.93Å; M185-K187 VanDerWaalsContact C-N 3.34Å; M185-C188 PolarHBondContact O-N 3.1Å; M185-C188 HydrophobicContact SD-CB 4.37Å; M185-K189 WeakPolarHBondContact O-CB 3.29Å; M185-K189 PolarHBondContact O-N 2.61Å; M185-L197 HydrophobicContact CG-CD2 4.49Å; M185-L197 HydrophobicContact SD-CB 4.41Å; M185-L197 HydrophobicContact SD-CD2 3.56Å; M185-L197 VanDerWaalsContact SD-CD2 3.56Å; M185-T200 HydrophobicContact CB-CG2 3.66Å; M185-T200 HydrophobicContact CE-CG2 4.47Å; M185-T200 HydrophobicContact CG-CG2 3.91Å
186K96.8Very high96.7Very high165 Ų16552.8 Ų52.872%0.71727%0.273SS*.Hα-helixtrans-64.3-40.2173.5-173.4-175.5176.5-171.20111.4R182 S183 V184 A190R182-K186 PolarHBondContact O-N 3.33Å; R182-K186 VanDerWaalsContact O-N 3.1Å; S183-K186 WeakPolarHBondContact O-CB 3.26Å; S183-K186 PolarHBondContact O-N 3.13Å; V184-K186 PolarHBondContact O-N 3.37Å; V184-K186 VanDerWaalsContact O-N 3.16Å; K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.49Å
187K97.9Very high96.6Very high51 Ų5153.7 Ų53.722%0.22228%0.278CS..Hα-helixtrans-68.4-45176.1-63.5173.8176.7-162.70111.1N154 E156 I159 S183 V184 M185 K189 A190 A191N154-K187 PolarHBondContact OD1-NZ 2.84Å; E156-K187 HydrophobicContact CG-CD 3.81Å; E156-K187 WeakPolarHBondContact OE1-CE 3.44Å; E156-K187 IonicContact OE1-NZ 2.83Å; E156-K187 PolarHBondContact OE1-NZ 2.91Å; I159-K187 HydrophobicContact CD1-CB 3.83Å; S183-K187 PolarHBondContact O-N 2.84Å; V184-K187 CarbonylContact O-C 3.13Å; V184-K187 WeakPolarHBondContact O-CA 3.49Å; V184-K187 WeakPolarHBondContact O-CB 3.42Å; V184-K187 PolarHBondContact O-N 3.31Å; M185-K187 VanDerWaalsContact C-N 3.34Å; K187-K189 PolarHBondContact O-N 2.86Å; K187-A190 PolarHBondContact O-N 3.29Å; K187-A190 VanDerWaalsContact O-N 3.12Å; K187-A191 WeakPolarHBondContact O-CB 3.21Å; K187-A191 PolarHBondContact O-N 2.67Å
188C97.8Very high96.6Very high0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-53.8-50.6173.4-62.20000111.9W177 V184 M185 A190 A191 N192W177-C188 HydrophobicContact CB-CB 4.28Å; W177-C188 HydrophobicContact CD2-CB 3.59Å; W177-C188 HydrophobicContact CE3-CB 3.92Å; W177-C188 HydrophobicContact CG-CB 3.76Å; W177-C188 HydrophobicContact CZ2-CB 4.42Å; W177-C188 HydrophobicContact CZ3-CB 4.46Å; W177-C188 PolarHBondContact NE1-O 3.35Å; V184-C188 PolarHBondContact O-N 3.36Å; V184-C188 PolarHBondContact O-SG 2.86Å; V184-C188 VanDerWaalsContact O-SG 3.35Å; M185-C188 PolarHBondContact O-N 3.1Å; M185-C188 HydrophobicContact SD-CB 4.37Å; C188-A190 VanDerWaalsContact C-N 3.32Å; C188-A190 PolarHBondContact O-N 2.85Å; C188-A191 PolarHBondContact O-N 3.41Å; C188-N192 PolarHBondContact O-N 2.93Å
189K97.1Very high96.6Very high97 Ų9754.3 Ų54.342%0.42228%0.28SS..Hα-helixtrans-62.2-38.1177.6-174.1179.6-174.3172.10112.8M185 K187 A191 N192 P193 L197M185-K189 WeakPolarHBondContact O-CB 3.29Å; M185-K189 PolarHBondContact O-N 2.61Å; K187-K189 PolarHBondContact O-N 2.86Å; K189-A191 VanDerWaalsContact C-N 3.34Å; K189-N192 CarbonylContact O-C 3.46Å; K189-P193 WeakPolarHBondContact O-CA 3.27Å; K189-L197 HydrophobicContact CB-CD1 4.43Å; K189-L197 HydrophobicContact CB-CD2 4.16Å; K189-L197 HydrophobicContact CD-CD1 3.81Å; K189-L197 HydrophobicContact CG-CD1 4.15Å
190A97.8Very high96.6Very high82 Ų8254.3 Ų54.368%0.67828%0.28SS*.Hα-helixtrans-68.3-37.6176.700000111.5K186 K187 C188K186-A190 WeakPolarHBondContact O-CB 3.36Å; K186-A190 PolarHBondContact O-N 3.49Å; K187-A190 PolarHBondContact O-N 3.29Å; K187-A190 VanDerWaalsContact O-N 3.12Å; C188-A190 VanDerWaalsContact C-N 3.32Å; C188-A190 PolarHBondContact O-N 2.85Å
191A98Very high96.5Very high22 Ų2255.2 Ų55.218%0.18229%0.287CS..Hα-helixtrans-69.3-42.3178.800000112.1I159 A163 R167 K187 C188 K189I159-A191 HydrophobicContact CG2-CB 3.4Å; A163-A191 HydrophobicContact CB-CB 4.18Å; R167-A191 PolarHBondContact NH2-O 3.07Å; K187-A191 WeakPolarHBondContact O-CB 3.21Å; K187-A191 PolarHBondContact O-N 2.67Å; C188-A191 PolarHBondContact O-N 3.41Å; K189-A191 VanDerWaalsContact C-N 3.34Å
192N98Very high96.4Very high2 Ų253.2 Ų53.21%0.01128%0.279CS..  trans-147.1102.5171.9-171.1-9.8000111.4A163 N172 W177 C188 K189 E194 M195A163-N192 HydrophobicContact CB-CB 3.97Å; N172-N192 PolarHBondContact OD1-ND2 2.96Å; W177-N192 PolarHBondContact NE1-O 3.42Å; C188-N192 PolarHBondContact O-N 2.93Å; K189-N192 CarbonylContact O-C 3.46Å; N192-E194 PolarHBondContact OD1-N 2.57Å; N192-M195 HydrophobicContact CB-CG 4.35Å; N192-M195 HydrophobicContact CB-SD 3.88Å; N192-M195 PolarHBondContact ND2-SD 2.86Å; N192-M195 VanDerWaalsContact ND2-SD 3.39Å
193P96.5Very high96.5Very high89 Ų8946.9 Ų46.958%0.57826%0.255SS*.SBendtrans-80.5-11.5-177.131.6-35.8000114.5K189K189-P193 WeakPolarHBondContact O-CA 3.27Å
194E95.8Very high96.4Very high134 Ų13444 Ų4463%0.62624%0.236SC*.SBendtrans-78.2-26.6179.6-63.5-176-175.600112N172 N192N172-E194 HydrophobicContact CB-CB 3.91Å; N172-E194 PolarHBondContact ND2-OE2 3.42Å; N192-E194 PolarHBondContact OD1-N 2.57Å
195M97Very high96.2Very high5 Ų549.9 Ų49.93%0.02526%0.261CS..SBendtrans-66.8134.6177.3-72.41716600111.9V166 N172 T175 W177 N192V166-M195 HydrophobicContact CB-SD 4.02Å; V166-M195 HydrophobicContact CG1-CE 4.49Å; V166-M195 HydrophobicContact CG1-CG 3.98Å; V166-M195 HydrophobicContact CG1-SD 3.74Å; V166-M195 HydrophobicContact CG2-CE 4.06Å; V166-M195 HydrophobicContact CG2-SD 3.99Å; N172-M195 WeakPolarHBondContact O-CA 3.27Å; T175-M195 HydrophobicContact CG2-CE 3.66Å; T175-M195 WeakPolarHBondContact O-CE 3.36Å; W177-M195 VanDerWaalsContact CD1-CB 3.48Å; W177-M195 HydrophobicContact CD2-CE 3.6Å; W177-M195 HydrophobicContact CD2-SD 4.27Å; W177-M195 VanDerWaalsContact CE2-CE 3.48Å; W177-M195 VanDerWaalsContact CE2-SD 3.53Å; W177-M195 HydrophobicContact CE3-CE 4.21Å; W177-M195 HydrophobicContact CG-CB 4.35Å; W177-M195 HydrophobicContact CG-CE 3.82Å; W177-M195 HydrophobicContact CZ2-CE 4Å; W177-M195 HydrophobicContact CZ2-SD 3.85Å; W177-M195 PolarHBondContact NE1-SD 3.5Å; N192-M195 HydrophobicContact CB-CG 4.35Å; N192-M195 HydrophobicContact CB-SD 3.88Å; N192-M195 PolarHBondContact ND2-SD 2.86Å; N192-M195 VanDerWaalsContact ND2-SD 3.39Å
196P96.9Very high96.2Very high18 Ų1855.8 Ų55.812%0.11728%0.283CS..  trans-62147.8172.724.5-33.1000111.6N172 T175 I176 W177 K224 F225N172-P196 WeakPolarHBondContact O-CD 3.37Å; T175-P196 VanDerWaalsContact O-CD 3.31Å; T175-P196 WeakPolarHBondContact O-CD 3.19Å; I176-P196 WeakPolarHBondContact CA-O 3.26Å; I176-P196 HydrophobicContact CB-CG 4.47Å; I176-P196 HydrophobicContact CG1-CG 4.12Å; I176-P196 WeakPolarHBondContact CG2-O 3.5Å; W177-P196 PolarHBondContact N-O 3.33Å; P196-K224 HydrophobicContact CB-CB 4.1Å; P196-K224 HydrophobicContact CB-CG 4.12Å; P196-F225 HydrophobicContact CB-CD2 4.17Å; P196-F225 HydrophobicContact CB-CE2 3.8Å; P196-F225 HydrophobicContact CG-CE2 4.07Å
197L96.3Very high96.1Very high19 Ų1948 Ų4810%0.09925%0.249CC..BIsolated β-bridgetrans-107.5138.7-177.4-57.1166.3000110.6W177 M185 K189 E223 K224 F225W177-L197 HydrophobicContact CB-CD2 3.89Å; W177-L197 HydrophobicContact CG-CD2 4.34Å; M185-L197 HydrophobicContact CG-CD2 4.49Å; M185-L197 HydrophobicContact SD-CB 4.41Å; M185-L197 HydrophobicContact SD-CD2 3.56Å; M185-L197 VanDerWaalsContact SD-CD2 3.56Å; K189-L197 HydrophobicContact CB-CD1 4.43Å; K189-L197 HydrophobicContact CB-CD2 4.16Å; K189-L197 HydrophobicContact CD-CD1 3.81Å; K189-L197 HydrophobicContact CG-CD1 4.15Å; L197-E223 HydrophobicContact CB-CG 4.5Å; L197-K224 PolarHBondContact O-N 3.18Å; L197-F225 PolarHBondContact O-N 3Å
198S97.2Very high95.9Very high5 Ų546.8 Ų46.84%0.03525%0.245CC..BIsolated β-bridgetrans-82.6164.1162.887.20000111.9W177 A178 F225W177-S198 PolarHBondContact O-N 3.03Å; W177-S198 PolarHBondContact O-OG 3.34Å; A178-S198 WeakPolarHBondContact CA-OG 3.44Å; S198-F225 CarbonylContact C-O 3.54Å; S198-F225 WeakPolarHBondContact CA-O 3.34Å; S198-F225 WeakPolarHBondContact CB-O 3.23Å
199F96.8Very high95.9Very high11 Ų1149.6 Ų49.65%0.04826%0.26CS..PPolyproline II helixtrans-71.8136.2173.2-82-109.6000111.6R203 V207 I221 E223 F225 F226 V272F199-R203 HydrophobicContact CD1-CB 3.95Å; F199-V207 HydrophobicContact CE1-CB 4.43Å; F199-V207 HydrophobicContact CE1-CG2 3.74Å; F199-V207 HydrophobicContact CZ-CG2 4.46Å; F199-I221 HydrophobicContact CE1-CG2 4.4Å; F199-I221 HydrophobicContact CE2-CG2 4.16Å; F199-I221 HydrophobicContact CZ-CG2 3.52Å; F199-E223 HydrophobicContact CD2-CB 3.46Å; F199-E223 VanDerWaalsContact CD2-CB 3.46Å; F199-E223 HydrophobicContact CD2-CG 4.07Å; F199-E223 HydrophobicContact CE2-CB 3.37Å; F199-E223 HydrophobicContact CE2-CG 4.26Å; F199-E223 HydrophobicContact CG-CB 4.17Å; F199-E223 HydrophobicContact CG-CG 4.28Å; F199-E223 HydrophobicContact CZ-CB 3.98Å; F199-F225 WeakPolarHBondContact CD2-O 3.43Å; F199-F225 PolarHBondContact N-O 2.87Å; F199-F226 HydrophobicContact CB-CD2 3.67Å; F199-F226 HydrophobicContact CB-CE2 4.22Å; F199-F226 HydrophobicContact CB-CG 4.46Å; F199-F226 HydrophobicContact CD1-CD2 4.23Å; F199-F226 HydrophobicContact CD2-CB 3.64Å; F199-F226 HydrophobicContact CD2-CD2 4.12Å; F199-F226 HydrophobicContact CD2-CG 4.06Å; F199-F226 HydrophobicContact CE2-CB 3.85Å; F199-F226 HydrophobicContact CE2-CG 4.38Å; F199-F226 HydrophobicContact CG-CB 4.19Å; F199-F226 AromaticContact CG-CD2 3.75Å; F199-F226 HydrophobicContact CG-CD2 3.75Å; F199-F226 HydrophobicContact CG-CE2 4.41Å; F199-F226 HydrophobicContact CG-CG 4.1Å; F199-V272 HydrophobicContact CE2-CG1 3.72Å; F199-V272 HydrophobicContact CZ-CG1 4.37Å
200T96.1Very high95.8Very high5 Ų545.4 Ų45.43%0.03124%0.243CC..PPolyproline II helixtrans-80.9160.8162.969.10000110S179 E180 M185 S202 R203 G204S179-T200 WeakPolarHBondContact O-CG2 3.43Å; E180-T200 WeakPolarHBondContact O-CB 3.37Å; M185-T200 HydrophobicContact CB-CG2 3.66Å; M185-T200 HydrophobicContact CE-CG2 4.47Å; M185-T200 HydrophobicContact CG-CG2 3.91Å; T200-S202 VanDerWaalsContact C-N 3.27Å; T200-S202 PolarHBondContact O-N 3.23Å; T200-S202 PolarHBondContact OG1-OG 3.02Å; T200-R203 PolarHBondContact O-N 3.42Å; T200-R203 VanDerWaalsContact OG1-CG 3.32Å; T200-R203 WeakPolarHBondContact OG1-CG 3.24Å; T200-R203 PolarHBondContact OG1-N 3.41Å; T200-G204 PolarHBondContact O-N 3.37Å
201I91.9Very high95.8Very high108 Ų10843.3 Ų43.355%0.55422%0.218SC*.Hα-helixtrans-54.9-45.9177.1-68.5176.1000110.9E180 R203 G204 F205E180-I201 HydrophobicContact CB-CD1 3.84Å; E180-I201 HydrophobicContact CB-CG1 3.95Å; E180-I201 HydrophobicContact CG-CD1 4.06Å; E180-I201 HydrophobicContact CG-CG1 4.15Å; E180-I201 PolarHBondContact O-N 2.85Å; E180-I201 WeakPolarHBondContact OE2-CD1 3.39Å; I201-R203 VanDerWaalsContact C-N 3.28Å; I201-R203 PolarHBondContact O-N 3.31Å; I201-G204 PolarHBondContact O-N 2.68Å; I201-F205 PolarHBondContact O-N 3.27Å
202S93.4Very high95.7Very high41 Ų4146.1 Ų46.129%0.28722%0.224SC..Hα-helixtrans-58.9-40.2179.368.20000112.2T200 W206T200-S202 VanDerWaalsContact C-N 3.27Å; T200-S202 PolarHBondContact O-N 3.23Å; T200-S202 PolarHBondContact OG1-OG 3.02Å; S202-W206 PolarHBondContact O-N 3.12Å
203R95.2Very high95.6Very high47 Ų4750.5 Ų50.518%0.17725%0.247CC..Hα-helixtrans-70.9-40.2179-71.7-69.8-64.8133.54.2111.8F199 T200 I201 W206 V207 E223F199-R203 HydrophobicContact CD1-CB 3.95Å; T200-R203 PolarHBondContact O-N 3.42Å; T200-R203 VanDerWaalsContact OG1-CG 3.32Å; T200-R203 WeakPolarHBondContact OG1-CG 3.24Å; T200-R203 PolarHBondContact OG1-N 3.41Å; I201-R203 VanDerWaalsContact C-N 3.28Å; I201-R203 PolarHBondContact O-N 3.31Å; R203-W206 PolarHBondContact O-N 3.42Å; R203-V207 PolarHBondContact O-N 3.36Å; R203-E223 IonicContact CZ-OE1 3.22Å; R203-E223 IonicContact CZ-OE2 2.68Å; R203-E223 IonicContact NE-OE1 3.92Å; R203-E223 PolarHBondContact NE-OE1 2.8Å; R203-E223 IonicContact NE-OE2 3.37Å; R203-E223 IonicContact NH2-OE1 3.29Å; R203-E223 PolarHBondContact NH2-OE1 2.77Å; R203-E223 IonicContact NH2-OE2 3.34Å; R203-E223 PolarHBondContact NH2-OE2 3.44Å
204G94.3Very high95.7Very high5 Ų546.7 Ų46.75%0.05222%0.223CC..Hα-helixtrans-57.9-47.8173.100000111.7T200 I201 W206 V207 L208T200-G204 PolarHBondContact O-N 3.37Å; I201-G204 PolarHBondContact O-N 2.68Å; G204-W206 PolarHBondContact O-N 3.34Å; G204-V207 PolarHBondContact O-N 3.5Å; G204-L208 WeakPolarHBondContact O-CG 3.36Å; G204-L208 PolarHBondContact O-N 3Å
205F93.3Very high95.7Very high127 Ų12743.6 Ų43.656%0.55721%0.211SC*.Hα-helixtrans-59.5-45.5174.9-179.3-95.9000112.4I201 V207 L208 L209I201-F205 PolarHBondContact O-N 3.27Å; F205-V207 VanDerWaalsContact C-N 3.32Å; F205-V207 PolarHBondContact O-N 2.91Å; F205-L208 PolarHBondContact O-N 2.82Å; F205-L209 HydrophobicContact CE1-CD2 4.24Å; F205-L209 WeakPolarHBondContact O-CB 3.28Å; F205-L209 PolarHBondContact O-N 2.78Å
206W95.3Very high95.7Very high139 Ų13943.4 Ų43.453%0.52721%0.21SC..Hα-helixtrans-61.5-37.8177.4-83116.5000113S202 R203 G204 L209 S210S202-W206 PolarHBondContact O-N 3.12Å; R203-W206 PolarHBondContact O-N 3.42Å; G204-W206 PolarHBondContact O-N 3.34Å; W206-L209 HydrophobicContact CE3-CD2 3.96Å; W206-L209 HydrophobicContact CZ3-CD2 3.71Å; W206-S210 VanDerWaalsContact O-CB 3.24Å; W206-S210 WeakPolarHBondContact O-CB 3.44Å; W206-S210 PolarHBondContact O-N 2.96Å; W206-S210 PolarHBondContact O-OG 2.9Å
207V95.1Very high95.7Very high2 Ų242.6 Ų42.61%0.01221%0.205CC..Hα-helixtrans-66.6-43.9175.1159.70000111.4F199 R203 G204 F205 S210 Y211 L216 I221 L263 L267F199-V207 HydrophobicContact CE1-CB 4.43Å; F199-V207 HydrophobicContact CE1-CG2 3.74Å; F199-V207 HydrophobicContact CZ-CG2 4.46Å; R203-V207 PolarHBondContact O-N 3.36Å; G204-V207 PolarHBondContact O-N 3.5Å; F205-V207 VanDerWaalsContact C-N 3.32Å; F205-V207 PolarHBondContact O-N 2.91Å; V207-S210 PolarHBondContact O-N 3.34Å; V207-Y211 WeakPolarHBondContact O-CB 3.47Å; V207-Y211 PolarHBondContact O-N 3.4Å; V207-L216 HydrophobicContact CB-CD1 4.38Å; V207-L216 HydrophobicContact CG1-CD1 3.89Å; V207-L216 HydrophobicContact CG1-CD2 4.47Å; V207-L216 HydrophobicContact CG2-CD1 4.16Å; V207-I221 HydrophobicContact CG2-CD1 4.47Å; V207-L263 HydrophobicContact CG1-CD1 4.19Å; V207-L267 HydrophobicContact CG1-CD2 4.22Å
208L95Very high95.7Very high25 Ų2545.7 Ų45.713%0.13122%0.218CC..Hα-helixtrans-61-49175.4-69.6171.4000111.2G204 F205 S210 Y211 Y212 I258 L263G204-L208 WeakPolarHBondContact O-CG 3.36Å; G204-L208 PolarHBondContact O-N 3Å; F205-L208 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 2.97Å; L208-Y211 WeakPolarHBondContact O-CB 3.31Å; L208-Y211 PolarHBondContact O-N 2.78Å; L208-Y211 VanDerWaalsContact O-N 3.16Å; L208-Y212 WeakPolarHBondContact O-CD2 3.49Å; L208-Y212 PolarHBondContact O-N 3.04Å; L208-Y212 VanDerWaalsContact O-N 3.08Å; L208-I258 HydrophobicContact CD1-CG1 3.98Å; L208-I258 HydrophobicContact CD2-CG1 4.34Å; L208-L263 HydrophobicContact CD2-CD2 3.56Å
209L95.9Very high95.6Very high59 Ų5947.8 Ų47.831%0.30923%0.228SC..Hα-helixtrans-58-46.5177.2-179.560.3000111.2F205 W206 Y211 Y212 L213F205-L209 HydrophobicContact CE1-CD2 4.24Å; F205-L209 WeakPolarHBondContact O-CB 3.28Å; F205-L209 PolarHBondContact O-N 2.78Å; W206-L209 HydrophobicContact CE3-CD2 3.96Å; W206-L209 HydrophobicContact CZ3-CD2 3.71Å; L209-Y211 VanDerWaalsContact C-N 3.29Å; L209-Y211 PolarHBondContact O-N 3.22Å; L209-Y212 PolarHBondContact O-N 2.52Å; L209-L213 HydrophobicContact CD1-CD1 3.88Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.85Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.4Å
210S96.8Very high95.5Very high9 Ų951.7 Ų51.76%0.06325%0.254CS..Hα-helixtrans-63.4-35.5178.5-59.10000112.6W206 V207 L208 G214 L215 L216 I219W206-S210 VanDerWaalsContact O-CB 3.24Å; W206-S210 WeakPolarHBondContact O-CB 3.44Å; W206-S210 PolarHBondContact O-N 2.96Å; W206-S210 PolarHBondContact O-OG 2.9Å; V207-S210 PolarHBondContact O-N 3.34Å; L208-S210 VanDerWaalsContact C-N 3.32Å; L208-S210 PolarHBondContact O-N 2.97Å; S210-G214 PolarHBondContact O-N 2.92Å; S210-G214 VanDerWaalsContact O-N 3.1Å; S210-L215 PolarHBondContact O-N 2.92Å; S210-L216 PolarHBondContact O-N 2.92Å; S210-I219 WeakPolarHBondContact OG-CD1 3.46Å
211Y96.9Very high95.4Very high38 Ų3852.3 Ų52.315%0.14926%0.257CS..Hα-helixtrans-61.6-50.7175.3172.8-100.9000110.9L23 V207 L208 L209 L213 G214 L216 R260 S262 L263L23-Y211 HydrophobicContact CD1-CD2 4.09Å; L23-Y211 HydrophobicContact CD1-CE2 4.17Å; L23-Y211 HydrophobicContact CD2-CE2 4.05Å; V207-Y211 WeakPolarHBondContact O-CB 3.47Å; V207-Y211 PolarHBondContact O-N 3.4Å; L208-Y211 WeakPolarHBondContact O-CB 3.31Å; L208-Y211 PolarHBondContact O-N 2.78Å; L208-Y211 VanDerWaalsContact O-N 3.16Å; L209-Y211 VanDerWaalsContact C-N 3.29Å; L209-Y211 PolarHBondContact O-N 3.22Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 2.95Å; Y211-G214 PolarHBondContact O-N 3.27Å; Y211-L216 HydrophobicContact CD2-CD2 4Å; Y211-L216 HydrophobicContact CG-CD2 4.49Å; Y211-R260 HydrophobicContact CE1-CB 4.46Å; Y211-R260 HydrophobicContact CE1-CG 4.25Å; Y211-S262 PolarHBondContact OH-OG 2.93Å; Y211-L263 HydrophobicContact CD2-CB 3.97Å; Y211-L263 HydrophobicContact CD2-CD1 3.76Å; Y211-L263 HydrophobicContact CD2-CG 4.4Å; Y211-L263 HydrophobicContact CE1-CB 4.48Å; Y211-L263 HydrophobicContact CE2-CB 3.79Å; Y211-L263 HydrophobicContact CE2-CD1 4.44Å; Y211-L263 HydrophobicContact CG-CB 4.38Å; Y211-L263 HydrophobicContact CG-CD1 3.93Å
212Y96.2Very high95.4Very high81 Ų8150.4 Ų50.432%0.31825%0.252SS..Hα-helixtrans-70.5-27.6-179.3-76.5-73.3000113.6L208 L209 G214 W256 L257L208-Y212 WeakPolarHBondContact O-CD2 3.49Å; L208-Y212 PolarHBondContact O-N 3.04Å; L208-Y212 VanDerWaalsContact O-N 3.08Å; L209-Y212 PolarHBondContact O-N 2.52Å; Y212-G214 VanDerWaalsContact C-N 3.34Å; Y212-W256 HydrophobicContact CD1-CH2 4.46Å; Y212-W256 AromaticContact CE1-CH2 3.86Å; Y212-W256 HydrophobicContact CE1-CH2 3.86Å; Y212-W256 AromaticContact CE1-CZ3 3.87Å; Y212-W256 HydrophobicContact CE1-CZ3 3.87Å; Y212-W256 PolarHBondContact OH-O 2.98Å; Y212-L257 HydrophobicContact CD2-CD2 3.97Å; Y212-L257 HydrophobicContact CE1-CD2 4.48Å; Y212-L257 HydrophobicContact CE2-CB 4.33Å; Y212-L257 HydrophobicContact CE2-CD2 3.42Å; Y212-L257 VanDerWaalsContact CE2-CD2 3.42Å; Y212-L257 HydrophobicContact CE2-CG 4.48Å; Y212-L257 VanDerWaalsContact OH-CA 3.25Å; Y212-L257 WeakPolarHBondContact OH-CA 3.45Å; Y212-L257 PolarHBondContact OH-O 3.44Å; Y212-L257 VanDerWaalsContact OH-O 3.06Å
213L96.5Very high95.5Very high94 Ų9449.2 Ų49.249%0.49224%0.242SC..Hα-helixtrans-79.5-13.8173.7-67177.7000113.4Y15 L209 Y211 L215Y15-L213 PolarHBondContact OH-O 3.12Å; L209-L213 HydrophobicContact CD1-CD1 3.88Å; L209-L213 HydrophobicContact CD1-CG 4.1Å; L209-L213 HydrophobicContact CG-CD1 3.85Å; L209-L213 HydrophobicContact CG-CG 4.41Å; L209-L213 WeakPolarHBondContact O-CB 3.49Å; L209-L213 VanDerWaalsContact O-CG 3.27Å; L209-L213 WeakPolarHBondContact O-CG 3.44Å; L209-L213 PolarHBondContact O-N 3.4Å; Y211-L213 VanDerWaalsContact C-N 3.33Å; Y211-L213 PolarHBondContact O-N 2.95Å; L213-L215 HydrophobicContact CB-CD1 4.11Å; L213-L215 HydrophobicContact CB-CG 4.12Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å
214G97.1Very high95.6Very high8 Ų848.9 Ų48.98%0.08224%0.241CC..THydrogen-bonded Turntrans81.212.7-173.300000114.7Y15 S19 S210 Y211 Y212Y15-G214 WeakPolarHBondContact OH-CA 3.1Å; Y15-G214 PolarHBondContact OH-O 3.08Å; S19-G214 VanDerWaalsContact CB-O 3.31Å; S19-G214 WeakPolarHBondContact CB-O 3.24Å; S19-G214 WeakPolarHBondContact OG-CA 3.42Å; S19-G214 PolarHBondContact OG-O 3.35Å; S210-G214 PolarHBondContact O-N 2.92Å; S210-G214 VanDerWaalsContact O-N 3.1Å; Y211-G214 PolarHBondContact O-N 3.27Å; Y212-G214 VanDerWaalsContact C-N 3.34Å
215L97.4Very high95.7Very high69 Ų6948.6 Ų48.636%0.36124%0.239SC..  trans-91.7-19.1-178.3-65.2173.9000113.3Y15 S210 L213 P217 F218 I219Y15-L215 HydrophobicContact CE2-CD2 4.07Å; Y15-L215 VanDerWaalsContact OH-CD2 3.27Å; Y15-L215 WeakPolarHBondContact OH-CD2 3.36Å; Y15-L215 WeakPolarHBondContact OH-CG 3.5Å; Y15-L215 PolarHBondContact OH-N 2.91Å; S210-L215 PolarHBondContact O-N 2.92Å; L213-L215 HydrophobicContact CB-CD1 4.11Å; L213-L215 HydrophobicContact CB-CG 4.12Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å; L215-P217 VanDerWaalsContact C-N 3.32Å; L215-F218 PolarHBondContact O-N 3.17Å; L215-I219 HydrophobicContact CB-CD1 3.87Å; L215-I219 PolarHBondContact O-N 2.71Å
216L96.8Very high95.9Very high1 Ų143.3 Ų43.31%0.00522%0.216CC..G310 helixtrans-50.3-42-175.7-176.364.3000114.3L23 V207 S210 Y211 F218 I219 I221 L263 R270L23-L216 HydrophobicContact CD1-CD2 4.37Å; V207-L216 HydrophobicContact CB-CD1 4.38Å; V207-L216 HydrophobicContact CG1-CD1 3.89Å; V207-L216 HydrophobicContact CG1-CD2 4.47Å; V207-L216 HydrophobicContact CG2-CD1 4.16Å; S210-L216 PolarHBondContact O-N 2.92Å; Y211-L216 HydrophobicContact CD2-CD2 4Å; Y211-L216 HydrophobicContact CG-CD2 4.49Å; L216-F218 PolarHBondContact O-N 2.9Å; L216-F218 VanDerWaalsContact O-N 3.14Å; L216-I219 PolarHBondContact O-N 3.13Å; L216-I221 HydrophobicContact CD1-CD1 4.03Å; L216-L263 HydrophobicContact CD2-CD1 3.61Å; L216-R270 PolarHBondContact O-NH1 2.73Å; L216-R270 VanDerWaalsContact O-NH1 3.14Å
217P96.8Very high95.9Very high1 Ų138.1 Ų38.11%0.00620%0.197CC..G310 helixtrans-62.6-21.9179.9-21.833.9000113.9S19 F22 L23 L29 H30 L215S19-P217 WeakPolarHBondContact O-CG 3.3Å; F22-P217 HydrophobicContact CB-CB 3.53Å; F22-P217 HydrophobicContact CB-CG 4.33Å; L23-P217 HydrophobicContact CB-CG 3.86Å; L23-P217 HydrophobicContact CD1-CG 4.14Å; L29-P217 WeakPolarHBondContact CD1-O 3.38Å; H30-P217 PolarHBondContact NE2-O 2.94Å; L215-P217 VanDerWaalsContact C-N 3.32Å
218F96.3Very high95.6Very high85 Ų8538.5 Ų38.537%0.37320%0.199SC..G310 helixtrans-99.5-7-175.2-50.5-70.9000113.1Y15 L18 F22 L29 L215 L216Y15-F218 HydrophobicContact CE2-CE2 4.46Å; L18-F218 HydrophobicContact CB-CZ 4.4Å; F22-F218 AromaticContact CD2-CE1 3.57Å; F22-F218 HydrophobicContact CD2-CE1 3.57Å; F22-F218 AromaticContact CD2-CZ 3.89Å; F22-F218 HydrophobicContact CD2-CZ 3.89Å; F22-F218 HydrophobicContact CE2-CE1 4.1Å; F22-F218 HydrophobicContact CG-CE1 4.38Å; L29-F218 HydrophobicContact CD1-CD1 3.75Å; L29-F218 HydrophobicContact CD1-CE1 3.96Å; L215-F218 PolarHBondContact O-N 3.17Å; L216-F218 PolarHBondContact O-N 2.9Å; L216-F218 VanDerWaalsContact O-N 3.14Å
219I94.7Very high95.2Very high49 Ų4939.6 Ų39.625%0.25120%0.203SC..SBendtrans-101.7133-175-66.7166.6000109.8S210 L215 L216 R270S210-I219 WeakPolarHBondContact OG-CD1 3.46Å; L215-I219 HydrophobicContact CB-CD1 3.87Å; L215-I219 PolarHBondContact O-N 2.71Å; L216-I219 PolarHBondContact O-N 3.13Å; I219-R270 VanDerWaalsContact O-CZ 3.31Å; I219-R270 PolarHBondContact O-NH1 2.82Å; I219-R270 PolarHBondContact O-NH2 3.48Å
220P93.5Very high94.7Very high92 Ų9236.8 Ų36.860%0.59719%0.189SC*.  trans-69.8144.817628.7-34.7000112.3
221I94.8Very high94.1Very high18 Ų1836.5 Ų36.59%0.09219%0.186CC..  trans-123.595.6176.3-58.5176.1000108F199 V207 L216 E223 L267 R270 V272F199-I221 HydrophobicContact CE1-CG2 4.4Å; F199-I221 HydrophobicContact CE2-CG2 4.16Å; F199-I221 HydrophobicContact CZ-CG2 3.52Å; V207-I221 HydrophobicContact CG2-CD1 4.47Å; L216-I221 HydrophobicContact CD1-CD1 4.03Å; I221-E223 VanDerWaalsContact C-N 3.33Å; I221-E223 HydrophobicContact CG2-CB 4.47Å; I221-L267 HydrophobicContact CD1-CD2 3.54Å; I221-R270 VanDerWaalsContact CD1-NH1 3.3Å; I221-V272 HydrophobicContact CG2-CG2 3.82Å
222P93.1Very high93.4Very high68 Ų6836.6 Ų36.644%0.44219%0.189SC..  trans-73.3-26.5176.828.3-35.4000113
223E95.4Very high92.7Very high17 Ų1732.8 Ų32.88%0.07917%0.174CC..  trans-66.3152.8-179.4-59.786.7176.200112.1L197 F199 R203 I221L197-E223 HydrophobicContact CB-CG 4.5Å; F199-E223 HydrophobicContact CD2-CB 3.46Å; F199-E223 VanDerWaalsContact CD2-CB 3.46Å; F199-E223 HydrophobicContact CD2-CG 4.07Å; F199-E223 HydrophobicContact CE2-CB 3.37Å; F199-E223 HydrophobicContact CE2-CG 4.26Å; F199-E223 HydrophobicContact CG-CB 4.17Å; F199-E223 HydrophobicContact CG-CG 4.28Å; F199-E223 HydrophobicContact CZ-CB 3.98Å; R203-E223 IonicContact CZ-OE1 3.22Å; R203-E223 IonicContact CZ-OE2 2.68Å; R203-E223 IonicContact NE-OE1 3.92Å; R203-E223 PolarHBondContact NE-OE1 2.8Å; R203-E223 IonicContact NE-OE2 3.37Å; R203-E223 IonicContact NH2-OE1 3.29Å; R203-E223 PolarHBondContact NH2-OE1 2.77Å; R203-E223 IonicContact NH2-OE2 3.34Å; R203-E223 PolarHBondContact NH2-OE2 3.44Å; I221-E223 VanDerWaalsContact C-N 3.33Å; I221-E223 HydrophobicContact CG2-CB 4.47Å
224K95.9Very high91.9Very high39 Ų3928.7 Ų28.717%0.1715%0.153CC..  trans-115.4-23.8-175.5-64.6-55.9169.9-164.10114.1R33 P35 P196 L197 V272 Q273R33-K224 WeakPolarHBondContact O-CD 3.25Å; R33-K224 WeakPolarHBondContact O-CE 3.35Å; R33-K224 PolarHBondContact O-NZ 2.93Å; P35-K224 HydrophobicContact CG-CB 3.95Å; P35-K224 HydrophobicContact CG-CD 4.46Å; P35-K224 HydrophobicContact CG-CG 4.46Å; P196-K224 HydrophobicContact CB-CB 4.1Å; P196-K224 HydrophobicContact CB-CG 4.12Å; L197-K224 PolarHBondContact O-N 3.18Å; K224-V272 WeakPolarHBondContact O-CA 3.46Å; K224-Q273 PolarHBondContact O-N 2.9Å
225F97.2Very high90.6Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-129.6112.5-174.9-65.2-85.2000110.3P35 F37 V39 I176 P196 L197 S198 F199 F227 Q273P35-F225 HydrophobicContact CB-CE2 4.12Å; P35-F225 HydrophobicContact CB-CZ 3.65Å; P35-F225 HydrophobicContact CG-CE1 4.32Å; P35-F225 HydrophobicContact CG-CE2 3.96Å; P35-F225 HydrophobicContact CG-CZ 3.67Å; F37-F225 AromaticContact CE1-CZ 3.94Å; F37-F225 HydrophobicContact CE1-CZ 3.94Å; F37-F225 AromaticContact CE2-CE1 3.78Å; F37-F225 HydrophobicContact CE2-CE1 3.78Å; F37-F225 AromaticContact CE2-CZ 3.6Å; F37-F225 HydrophobicContact CE2-CZ 3.6Å; F37-F225 AromaticContact CZ-CE1 3.91Å; F37-F225 HydrophobicContact CZ-CE1 3.91Å; F37-F225 HydrophobicContact CZ-CE2 4.01Å; F37-F225 AromaticContact CZ-CZ 3.26Å; F37-F225 HydrophobicContact CZ-CZ 3.26Å; V39-F225 HydrophobicContact CG2-CE1 4Å; I176-F225 HydrophobicContact CB-CD2 4.44Å; I176-F225 HydrophobicContact CD1-CD1 3.84Å; I176-F225 HydrophobicContact CD1-CD2 3.65Å; I176-F225 HydrophobicContact CD1-CE1 3.83Å; I176-F225 HydrophobicContact CD1-CE2 3.65Å; I176-F225 HydrophobicContact CD1-CG 3.76Å; I176-F225 HydrophobicContact CD1-CZ 3.75Å; I176-F225 HydrophobicContact CG1-CD2 3.89Å; I176-F225 HydrophobicContact CG1-CE2 3.73Å; I176-F225 HydrophobicContact CG1-CG 4.48Å; I176-F225 HydrophobicContact CG1-CZ 4.19Å; I176-F225 HydrophobicContact CG2-CB 4.4Å; I176-F225 HydrophobicContact CG2-CD2 3.69Å; I176-F225 HydrophobicContact CG2-CE2 4.33Å; I176-F225 HydrophobicContact CG2-CG 4.23Å; P196-F225 HydrophobicContact CB-CD2 4.17Å; P196-F225 HydrophobicContact CB-CE2 3.8Å; P196-F225 HydrophobicContact CG-CE2 4.07Å; L197-F225 PolarHBondContact O-N 3Å; S198-F225 CarbonylContact C-O 3.54Å; S198-F225 WeakPolarHBondContact CA-O 3.34Å; S198-F225 WeakPolarHBondContact CB-O 3.23Å; F199-F225 WeakPolarHBondContact CD2-O 3.43Å; F199-F225 PolarHBondContact N-O 2.87Å; F225-F227 HydrophobicContact CB-CE1 4.13Å; F225-F227 HydrophobicContact CB-CE2 4.02Å; F225-F227 HydrophobicContact CB-CZ 3.76Å; F225-F227 HydrophobicContact CD1-CE1 4.37Å; F225-F227 HydrophobicContact CD1-CZ 4.19Å; F225-F227 HydrophobicContact CG-CZ 4.17Å; F225-F227 PolarHBondContact O-N 3.23Å; F225-Q273 HydrophobicContact CD1-CB 3.92Å; F225-Q273 HydrophobicContact CE1-CB 4.09Å; F225-Q273 HydrophobicContact CE1-CG 4.31Å; F225-Q273 VanDerWaalsContact CE1-NE2 3.33Å
226F96.4Very high89.7Confident16 Ų1632.3 Ų32.37%0.0716%0.162CC..EExtended strand (participates in β ladder)trans-96.291.4171.6-170.3-163.6000109.5F199 C228 L267 V272 Q273 V274 V275F199-F226 HydrophobicContact CB-CD2 3.67Å; F199-F226 HydrophobicContact CB-CE2 4.22Å; F199-F226 HydrophobicContact CB-CG 4.46Å; F199-F226 HydrophobicContact CD1-CD2 4.23Å; F199-F226 HydrophobicContact CD2-CB 3.64Å; F199-F226 HydrophobicContact CD2-CD2 4.12Å; F199-F226 HydrophobicContact CD2-CG 4.06Å; F199-F226 HydrophobicContact CE2-CB 3.85Å; F199-F226 HydrophobicContact CE2-CG 4.38Å; F199-F226 HydrophobicContact CG-CB 4.19Å; F199-F226 AromaticContact CG-CD2 3.75Å; F199-F226 HydrophobicContact CG-CD2 3.75Å; F199-F226 HydrophobicContact CG-CE2 4.41Å; F199-F226 HydrophobicContact CG-CG 4.1Å; F226-C228 HydrophobicContact CD2-CB 4.18Å; F226-C228 HydrophobicContact CE1-CB 4.46Å; F226-C228 HydrophobicContact CE2-CB 3.9Å; F226-C228 HydrophobicContact CZ-CB 4.05Å; F226-C228 PolarHBondContact O-N 3.03Å; F226-L267 HydrophobicContact CD1-CD1 3.84Å; F226-L267 HydrophobicContact CE1-CD1 4.35Å; F226-V272 HydrophobicContact CB-CG1 4.1Å; F226-Q273 PolarHBondContact N-O 3.46Å; F226-V274 HydrophobicContact CB-CG2 4.43Å; F226-V274 HydrophobicContact CD1-CG1 4.47Å; F226-V275 PolarHBondContact O-N 2.75Å
227F95.1Very high88.7Confident29 Ų2933.6 Ų33.613%0.12717%0.17CC..EExtended strand (participates in β ladder)trans-78.7110.5169.1-59-44.9000108.8L69 S148 I176 F225 V275 W277 M297L69-F227 HydrophobicContact CD2-CE1 4.04Å; L69-F227 HydrophobicContact CD2-CZ 3.83Å; S148-F227 WeakPolarHBondContact OG-CE2 3.03Å; I176-F227 HydrophobicContact CD1-CE2 4.49Å; I176-F227 HydrophobicContact CD1-CZ 3.94Å; I176-F227 HydrophobicContact CG2-CE2 4.48Å; F225-F227 HydrophobicContact CB-CE1 4.13Å; F225-F227 HydrophobicContact CB-CE2 4.02Å; F225-F227 HydrophobicContact CB-CZ 3.76Å; F225-F227 HydrophobicContact CD1-CE1 4.37Å; F225-F227 HydrophobicContact CD1-CZ 4.19Å; F225-F227 HydrophobicContact CG-CZ 4.17Å; F225-F227 PolarHBondContact O-N 3.23Å; F227-V275 WeakPolarHBondContact CA-O 3.29Å; F227-V275 HydrophobicContact CD1-CB 3.81Å; F227-V275 HydrophobicContact CD1-CG1 4.16Å; F227-V275 HydrophobicContact CE1-CB 3.99Å; F227-V275 HydrophobicContact CE1-CG1 4.29Å; F227-V275 HydrophobicContact CE1-CG2 4.29Å; F227-W277 VanDerWaalsContact C-NE1 3.25Å; F227-W277 PolarHBondContact O-NE1 3.19Å; F227-M297 HydrophobicContact CD1-CE 4.02Å; F227-M297 HydrophobicContact CE1-CE 4.09Å; F227-M297 HydrophobicContact CG-CE 4.47Å
228C90Very high87.6Confident10 Ų1036.3 Ų36.37%0.06818%0.181CC..EExtended strand (participates in β ladder)trans-128.3143.5-176.3-167.70000110.8F226 V275 F276 W277F226-C228 HydrophobicContact CD2-CB 4.18Å; F226-C228 HydrophobicContact CE1-CB 4.46Å; F226-C228 HydrophobicContact CE2-CB 3.9Å; F226-C228 HydrophobicContact CZ-CB 4.05Å; F226-C228 PolarHBondContact O-N 3.03Å; C228-V275 PolarHBondContact N-O 3.44Å; C228-V275 VanDerWaalsContact N-O 3.08Å; C228-F276 HydrophobicContact CB-CD1 4.22Å; C228-F276 HydrophobicContact CB-CE1 4.12Å; C228-F276 CarbonylContact O-C 3.53Å; C228-F276 WeakPolarHBondContact O-CA 3.4Å; C228-F276 WeakPolarHBondContact O-CD1 3.19Å; C228-W277 VanDerWaalsContact C-CD1 3.48Å; C228-W277 VanDerWaalsContact N-CD1 3.34Å; C228-W277 PolarHBondContact O-N 2.82Å
229F87Confident86.7Confident49 Ų4937.8 Ų37.822%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-67.7146.517270.1-90.8000110.3P231 I234 I258 W277F229-P231 HydrophobicContact CE2-CG 4.07Å; F229-P231 WeakPolarHBondContact O-CD 3.21Å; F229-I234 HydrophobicContact CD2-CD1 4.14Å; F229-I234 HydrophobicContact CD2-CG1 4.44Å; F229-I234 HydrophobicContact CE2-CD1 3.57Å; F229-I234 HydrophobicContact CE2-CG1 4.34Å; F229-I234 HydrophobicContact CZ-CD1 4.4Å; F229-I258 HydrophobicContact CE1-CD1 4.24Å; F229-I258 HydrophobicContact CE2-CD1 4.24Å; F229-I258 HydrophobicContact CZ-CD1 3.79Å; F229-W277 VanDerWaalsContact CA-O 3.26Å; F229-W277 WeakPolarHBondContact CA-O 3.38Å; F229-W277 HydrophobicContact CB-CH2 4.3Å; F229-W277 HydrophobicContact CB-CZ2 4.27Å; F229-W277 HydrophobicContact CB-CZ3 4.43Å
230L85.4Confident85.6Confident0 Ų037.7 Ų37.70%019%0.19CC..  trans-83.2125.1169.2-171.271.4000109.9N232 I233 M259 F276 W277 L279 D284 A287L230-N232 HydrophobicContact CD2-CB 3.93Å; L230-N232 HydrophobicContact CG-CB 4.15Å; L230-N232 PolarHBondContact O-N 3.38Å; L230-I233 WeakPolarHBondContact O-CG1 3.39Å; L230-I233 PolarHBondContact O-N 3.39Å; L230-I233 VanDerWaalsContact O-N 3.09Å; L230-M259 HydrophobicContact CD1-CE 3.89Å; L230-M259 HydrophobicContact CD1-SD 3.84Å; L230-F276 HydrophobicContact CB-CB 4.37Å; L230-F276 HydrophobicContact CB-CD1 4.15Å; L230-F276 HydrophobicContact CB-CG 4.45Å; L230-F276 HydrophobicContact CD1-CD1 3.97Å; L230-F276 HydrophobicContact CD1-CD2 4.41Å; L230-F276 HydrophobicContact CD1-CE1 4.18Å; L230-F276 HydrophobicContact CD1-CG 4.1Å; L230-F276 HydrophobicContact CD1-CZ 4.49Å; L230-W277 PolarHBondContact N-O 3.05Å; L230-L279 HydrophobicContact CB-CD1 4.42Å; L230-L279 HydrophobicContact CB-CD2 3.35Å; L230-L279 HydrophobicContact CB-CG 4.5Å; L230-L279 HydrophobicContact CD2-CD1 3.93Å; L230-L279 HydrophobicContact CD2-CD2 3.74Å; L230-L279 HydrophobicContact CG-CD2 4.18Å; L230-D284 HydrophobicContact CD2-CB 4.08Å; L230-A287 HydrophobicContact CD2-CB 4.12Å
231P83.5Confident84.6Confident2 Ų238.2 Ų38.21%0.01318%0.183CC..G310 helixtrans-55.9-24.7179.9-35.443000115.9F229 I233 I234 S254 K255 I258 M259F229-P231 HydrophobicContact CE2-CG 4.07Å; F229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-I233 VanDerWaalsContact C-N 3.27Å; P231-I233 PolarHBondContact O-N 3.06Å; P231-I234 WeakPolarHBondContact O-CB 3.46Å; P231-I234 PolarHBondContact O-N 2.98Å; P231-S254 VanDerWaalsContact CB-OG 3.32Å; P231-S254 WeakPolarHBondContact CB-OG 3.14Å; P231-S254 VanDerWaalsContact CG-C 3.47Å; P231-K255 HydrophobicContact CB-CB 3.7Å; P231-K255 HydrophobicContact CB-CG 4.49Å; P231-K255 HydrophobicContact CG-CB 4.34Å; P231-I258 HydrophobicContact CG-CB 4.35Å; P231-I258 HydrophobicContact CG-CD1 4.25Å; P231-M259 HydrophobicContact CG-CG 4.44Å
232N81.4Confident83.6Confident40 Ų4044 Ų4421%0.21423%0.225CC..G310 helixtrans-65.7-25.5179.2-71.12.3000113.7L230 I234 R236 K255 A287L230-N232 HydrophobicContact CD2-CB 3.93Å; L230-N232 HydrophobicContact CG-CB 4.15Å; L230-N232 PolarHBondContact O-N 3.38Å; N232-I234 VanDerWaalsContact C-N 3.3Å; N232-R236 WeakPolarHBondContact O-CD 3.46Å; N232-K255 WeakPolarHBondContact OD1-CE 3.46Å; N232-K255 PolarHBondContact OD1-NZ 3.01Å; N232-A287 WeakPolarHBondContact ND2-CB 3.3Å
233I81.8Confident82.6Confident1 Ų143.3 Ų43.31%0.00522%0.221CC..G310 helixtrans-80.3-14.4-179.862.4154.9000112.6L230 P231 N235 R236 T237 Y238 L279L230-I233 WeakPolarHBondContact O-CG1 3.39Å; L230-I233 PolarHBondContact O-N 3.39Å; L230-I233 VanDerWaalsContact O-N 3.09Å; P231-I233 VanDerWaalsContact C-N 3.27Å; P231-I233 PolarHBondContact O-N 3.06Å; I233-N235 PolarHBondContact O-N 3.24Å; I233-R236 PolarHBondContact O-N 3.44Å; I233-R236 VanDerWaalsContact O-N 3.11Å; I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 VanDerWaalsContact O-N 3.07Å; I233-Y238 HydrophobicContact CD1-CG 4.44Å; I233-Y238 PolarHBondContact O-N 2.76Å; I233-L279 HydrophobicContact CG2-CD2 3.81Å
234I79.7Confident81.7Confident9 Ų945.9 Ų45.95%0.04624%0.241CC..BIsolated β-bridgetrans-60.5135.1175-65.7167.7000109.2F229 P231 N232 R236 Y238 P240 N247 A251F229-I234 HydrophobicContact CD2-CD1 4.14Å; F229-I234 HydrophobicContact CD2-CG1 4.44Å; F229-I234 HydrophobicContact CE2-CD1 3.57Å; F229-I234 HydrophobicContact CE2-CG1 4.34Å; F229-I234 HydrophobicContact CZ-CD1 4.4Å; P231-I234 WeakPolarHBondContact O-CB 3.46Å; P231-I234 PolarHBondContact O-N 2.98Å; N232-I234 VanDerWaalsContact C-N 3.3Å; I234-R236 PolarHBondContact O-N 2.94Å; I234-Y238 CarbonylContact C-O 3.6Å; I234-Y238 VanDerWaalsContact CA-O 3.28Å; I234-Y238 WeakPolarHBondContact CA-O 3.2Å; I234-Y238 HydrophobicContact CG1-CD1 3.87Å; I234-P240 HydrophobicContact CG2-CG 4.26Å; I234-N247 HydrophobicContact CG2-CB 4.05Å; I234-N247 WeakPolarHBondContact CG2-O 3.5Å; I234-A251 HydrophobicContact CB-CB 3.81Å; I234-A251 HydrophobicContact CD1-CB 4.33Å; I234-A251 HydrophobicContact CG2-CB 3.81Å
235N70.5Confident80.8Confident41 Ų4147.5 Ų47.522%0.21926%0.256CS..THydrogen-bonded Turntrans66.83.9-175-81.2-32000116.8I233 Y238 S244 N247 Q248I233-N235 PolarHBondContact O-N 3.24Å; N235-Y238 PolarHBondContact N-O 3.35Å; N235-S244 PolarHBondContact ND2-O 3.42Å; N235-N247 WeakPolarHBondContact ND2-CB 3.33Å; N235-N247 WeakPolarHBondContact OD1-CB 3.46Å; N235-N247 PolarHBondContact OD1-ND2 3.38Å; N235-N247 VanDerWaalsContact OD1-ND2 3.12Å; N235-Q248 WeakPolarHBondContact ND2-CA 3.35Å; N235-Q248 WeakPolarHBondContact ND2-CG 3.49Å; N235-Q248 PolarHBondContact ND2-N 3.49Å
236R78.6Confident79.9Confident111 Ų11152 Ų5242%0.41928%0.28SS..THydrogen-bonded Turntrans-107.2-60.1171-62.5178.367.6-167.49.6109.8N232 I233 I234 F239 E281 D284N232-R236 WeakPolarHBondContact O-CD 3.46Å; I233-R236 PolarHBondContact O-N 3.44Å; I233-R236 VanDerWaalsContact O-N 3.11Å; I234-R236 PolarHBondContact O-N 2.94Å; R236-F239 WeakPolarHBondContact O-CE2 3.37Å; R236-F239 WeakPolarHBondContact O-CZ 3.43Å; R236-E281 IonicContact CZ-OE1 3.24Å; R236-E281 IonicContact CZ-OE2 3.47Å; R236-E281 IonicContact NH1-OE1 2.64Å; R236-E281 IonicContact NH1-OE2 2.81Å; R236-E281 PolarHBondContact NH1-OE2 3.34Å; R236-E281 IonicContact NH2-OE1 3.33Å; R236-E281 PolarHBondContact NH2-OE1 3.01Å; R236-E281 IonicContact NH2-OE2 2.7Å; R236-E281 PolarHBondContact NH2-OE2 2.7Å; R236-D284 IonicContact NH1-OD1 3.24Å; R236-D284 IonicContact NH1-OD2 3.69Å; R236-D284 PolarHBondContact NH1-OD2 3.05Å
237T74.9Confident79Confident28 Ų2851.3 Ų51.317%0.17228%0.277CS..THydrogen-bonded Turntrans-128.7-9.2-174.653.90000112.4F119 I233F119-T237 WeakPolarHBondContact O-CB 3.25Å; F119-T237 WeakPolarHBondContact O-CG2 3.49Å; I233-T237 PolarHBondContact O-N 3.1Å; I233-T237 VanDerWaalsContact O-N 3.07Å
238Y75.1Confident78.3Confident59 Ų5955.7 Ų55.723%0.23130%0.298CS..BIsolated β-bridgetrans-127.3123.7176.2-176.2-121.5000111.1F119 I233 I234 N235 P240F119-Y238 AromaticContact CE1-CD2 3.9Å; F119-Y238 HydrophobicContact CE1-CD2 3.9Å; I233-Y238 HydrophobicContact CD1-CG 4.44Å; I233-Y238 PolarHBondContact O-N 2.76Å; I234-Y238 CarbonylContact C-O 3.6Å; I234-Y238 VanDerWaalsContact CA-O 3.28Å; I234-Y238 WeakPolarHBondContact CA-O 3.2Å; I234-Y238 HydrophobicContact CG1-CD1 3.87Å; N235-Y238 PolarHBondContact N-O 3.35Å; Y238-P240 HydrophobicContact CD1-CG 4.4Å; Y238-P240 HydrophobicContact CE1-CB 3.97Å; Y238-P240 HydrophobicContact CE1-CG 4.12Å; Y238-P240 WeakPolarHBondContact O-CD 3.5Å
239F76.4Confident78Confident115 Ų11560.5 Ų60.550%0.50432%0.322SS..  trans-12483.1-174.6-61.9-87000110.1R236 F241R236-F239 WeakPolarHBondContact O-CE2 3.37Å; R236-F239 WeakPolarHBondContact O-CZ 3.43Å; F239-F241 VanDerWaalsContact C-N 3.28Å; F239-F241 PolarHBondContact O-N 2.71Å
240P72Confident77.7Confident47 Ų4759.4 Ų59.431%0.30532%0.321SS..SBendtrans-69.5-23.8-174.525.2-32.6000113.6I234 Y238 N247I234-P240 HydrophobicContact CG2-CG 4.26Å; Y238-P240 HydrophobicContact CD1-CG 4.4Å; Y238-P240 HydrophobicContact CE1-CB 3.97Å; Y238-P240 HydrophobicContact CE1-CG 4.12Å; Y238-P240 WeakPolarHBondContact O-CD 3.5Å; P240-N247 WeakPolarHBondContact CD-OD1 3.39Å; P240-N247 WeakPolarHBondContact CG-OD1 3.39Å
241F72.6Confident77.6Confident104 Ų10460.3 Ų60.346%0.45633%0.328SS..SBendtrans-127.6151.2178-50.8-77.4000111.3F239 C243 L246 N247F239-F241 VanDerWaalsContact C-N 3.28Å; F239-F241 PolarHBondContact O-N 2.71Å; F241-C243 VanDerWaalsContact C-N 3.28Å; F241-C243 PolarHBondContact O-N 2.73Å; F241-L246 HydrophobicContact CB-CB 4.17Å; F241-L246 HydrophobicContact CD2-CB 4.22Å; F241-L246 HydrophobicContact CG-CB 4.25Å; F241-N247 WeakPolarHBondContact CA-OD1 3.45Å; F241-N247 VanDerWaalsContact CB-OD1 3.23Å; F241-N247 WeakPolarHBondContact CB-OD1 3.33Å; F241-N247 VanDerWaalsContact CD2-OD1 3.27Å; F241-N247 WeakPolarHBondContact CD2-OD1 3.26Å; F241-N247 PolarHBondContact N-OD1 3.21Å; F241-N247 PolarHBondContact O-ND2 3.02Å; F241-N247 PolarHBondContact O-OD1 2.98Å
242S73.8Confident77.6Confident138 Ų13865.1 Ų65.197%0.96536%0.358SS*.SBendtrans-69.2-22.6175-48.10000113.2
243C72.6Confident77.8Confident54 Ų5466.5 Ų66.537%0.36537%0.367SS..  trans-87.6121.2172.7-165.60000111.6F241 C245 L246 N247F241-C243 VanDerWaalsContact C-N 3.28Å; F241-C243 PolarHBondContact O-N 2.73Å; C243-C245 WeakPolarHBondContact CB-SG 3Å; C243-C245 PolarHBondContact O-N 3.42Å; C243-C245 WeakPolarHBondContact SG-CB 3.43Å; C243-C245 PolarHBondContact SG-N 3.18Å; C243-C245 VanDerWaalsContact SG-N 3.43Å; C243-C245 CovalentContact SG-SG 2.08Å; C243-C245 PolarHBondContact SG-SG 3.04Å; C243-L246 HydrophobicContact CB-CB 4.09Å; C243-L246 HydrophobicContact CB-CD1 3.89Å; C243-L246 HydrophobicContact CB-CG 3.89Å; C243-L246 PolarHBondContact O-N 3.11Å; C243-L246 VanDerWaalsContact O-N 3.14Å; C243-N247 PolarHBondContact O-N 3.19Å
244S75.7Confident78Confident71 Ų7167.1 Ų67.150%0.49737%0.371SS..Hα-helixtrans-54.9-37.7171.2179.40000112.8N235 L246 N247 Q248N235-S244 PolarHBondContact ND2-O 3.42Å; S244-L246 PolarHBondContact O-N 3.07Å; S244-N247 PolarHBondContact O-N 3.48Å; S244-Q248 WeakPolarHBondContact O-CG 3.44Å; S244-Q248 PolarHBondContact O-N 3.22Å
245C77.2Confident78.3Confident73 Ų7371.3 Ų71.349%0.49339%0.39SS..Hα-helixtrans-57.6-48.2175.967.10000113.2C243 N247 Q248 L249C243-C245 WeakPolarHBondContact CB-SG 3Å; C243-C245 PolarHBondContact O-N 3.42Å; C243-C245 WeakPolarHBondContact SG-CB 3.43Å; C243-C245 PolarHBondContact SG-N 3.18Å; C243-C245 VanDerWaalsContact SG-N 3.43Å; C243-C245 CovalentContact SG-SG 2.08Å; C243-C245 PolarHBondContact SG-SG 3.04Å; C245-N247 VanDerWaalsContact C-N 3.34Å; C245-Q248 PolarHBondContact O-N 3Å; C245-L249 PolarHBondContact O-N 3.26Å; C245-L249 VanDerWaalsContact O-N 3.14Å
246L77.9Confident79.1Confident94 Ų9476.5 Ų76.549%0.49241%0.406SS..Hα-helixtrans-68.7-38.7179.8-68.8175.3000110.2F241 C243 S244 Q248 L249 S250F241-L246 HydrophobicContact CB-CB 4.17Å; F241-L246 HydrophobicContact CD2-CB 4.22Å; F241-L246 HydrophobicContact CG-CB 4.25Å; C243-L246 HydrophobicContact CB-CB 4.09Å; C243-L246 HydrophobicContact CB-CD1 3.89Å; C243-L246 HydrophobicContact CB-CG 3.89Å; C243-L246 PolarHBondContact O-N 3.11Å; C243-L246 VanDerWaalsContact O-N 3.14Å; S244-L246 PolarHBondContact O-N 3.07Å; L246-Q248 PolarHBondContact O-N 3.21Å; L246-L249 PolarHBondContact O-N 3.32Å; L246-S250 VanDerWaalsContact O-CB 3.26Å; L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 3.44Å; L246-S250 PolarHBondContact O-OG 3.05Å
247N78.5Confident79.6Confident2 Ų273.7 Ų73.71%0.01140%0.399CS..Hα-helixtrans-62.2-43.1174.6-69.1-25.1000111.7I234 N235 P240 F241 C243 S244 C245 L249 S250 A251I234-N247 HydrophobicContact CG2-CB 4.05Å; I234-N247 WeakPolarHBondContact CG2-O 3.5Å; N235-N247 WeakPolarHBondContact ND2-CB 3.33Å; N235-N247 WeakPolarHBondContact OD1-CB 3.46Å; N235-N247 PolarHBondContact OD1-ND2 3.38Å; N235-N247 VanDerWaalsContact OD1-ND2 3.12Å; P240-N247 WeakPolarHBondContact CD-OD1 3.39Å; P240-N247 WeakPolarHBondContact CG-OD1 3.39Å; F241-N247 WeakPolarHBondContact CA-OD1 3.45Å; F241-N247 VanDerWaalsContact CB-OD1 3.23Å; F241-N247 WeakPolarHBondContact CB-OD1 3.33Å; F241-N247 VanDerWaalsContact CD2-OD1 3.27Å; F241-N247 WeakPolarHBondContact CD2-OD1 3.26Å; F241-N247 PolarHBondContact N-OD1 3.21Å; F241-N247 PolarHBondContact O-ND2 3.02Å; F241-N247 PolarHBondContact O-OD1 2.98Å; C243-N247 PolarHBondContact O-N 3.19Å; S244-N247 PolarHBondContact O-N 3.48Å; C245-N247 VanDerWaalsContact C-N 3.34Å; N247-L249 PolarHBondContact O-N 2.72Å; N247-S250 WeakPolarHBondContact CA-OG 2.87Å; N247-S250 PolarHBondContact O-N 3.38Å; N247-S250 PolarHBondContact O-OG 2.99Å; N247-A251 WeakPolarHBondContact O-CB 3.32Å; N247-A251 PolarHBondContact O-N 3.2Å
248Q79.1Confident80.3Confident121 Ų12173 Ų7357%0.56539%0.394SS*.Hα-helixtrans-62.6-46.4179.8-75.4-179.5-7.800111N235 S244 C245 L246 S250 A251 V252N235-Q248 WeakPolarHBondContact ND2-CA 3.35Å; N235-Q248 WeakPolarHBondContact ND2-CG 3.49Å; N235-Q248 PolarHBondContact ND2-N 3.49Å; S244-Q248 WeakPolarHBondContact O-CG 3.44Å; S244-Q248 PolarHBondContact O-N 3.22Å; C245-Q248 PolarHBondContact O-N 3Å; L246-Q248 PolarHBondContact O-N 3.21Å; Q248-S250 VanDerWaalsContact C-N 3.32Å; Q248-S250 PolarHBondContact O-N 2.85Å; Q248-A251 PolarHBondContact O-N 2.94Å; Q248-V252 WeakPolarHBondContact O-CG2 3.34Å; Q248-V252 PolarHBondContact O-N 3.35Å
249L83.4Confident81.1Confident111 Ų11171.2 Ų71.258%0.58139%0.388SS*.Hα-helixtrans-60-45.3174.6-178.463.5000111C245 L246 N247 A251 V252 V253C245-L249 PolarHBondContact O-N 3.26Å; C245-L249 VanDerWaalsContact O-N 3.14Å; L246-L249 PolarHBondContact O-N 3.32Å; N247-L249 PolarHBondContact O-N 2.72Å; L249-A251 VanDerWaalsContact C-N 3.31Å; L249-A251 PolarHBondContact O-N 3.37Å; L249-V252 PolarHBondContact O-N 3.4Å; L249-V253 HydrophobicContact CD1-CG2 4.11Å; L249-V253 HydrophobicContact CG-CG2 4.34Å; L249-V253 WeakPolarHBondContact O-CB 3.17Å; L249-V253 VanDerWaalsContact O-CG2 3.3Å; L249-V253 WeakPolarHBondContact O-CG2 3.12Å; L249-V253 PolarHBondContact O-N 3.27Å
250S81.9Confident82Confident26 Ų2668.9 Ų68.918%0.18238%0.376CS..Hα-helixtrans-62.4-37.4179.379.50000112.4L246 N247 Q248 S254L246-S250 VanDerWaalsContact O-CB 3.26Å; L246-S250 WeakPolarHBondContact O-CB 3.34Å; L246-S250 PolarHBondContact O-N 3.44Å; L246-S250 PolarHBondContact O-OG 3.05Å; N247-S250 WeakPolarHBondContact CA-OG 2.87Å; N247-S250 PolarHBondContact O-N 3.38Å; N247-S250 PolarHBondContact O-OG 2.99Å; Q248-S250 VanDerWaalsContact C-N 3.32Å; Q248-S250 PolarHBondContact O-N 2.85Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 2.63Å; S250-S254 PolarHBondContact O-OG 3.16Å
251A82.9Confident83.1Confident19 Ų1973.1 Ų73.116%0.15739%0.39CS..Hα-helixtrans-63-47.3176.800000110.9I234 N247 Q248 L249 S254 K255I234-A251 HydrophobicContact CB-CB 3.81Å; I234-A251 HydrophobicContact CD1-CB 4.33Å; I234-A251 HydrophobicContact CG2-CB 3.81Å; N247-A251 WeakPolarHBondContact O-CB 3.32Å; N247-A251 PolarHBondContact O-N 3.2Å; Q248-A251 PolarHBondContact O-N 2.94Å; L249-A251 VanDerWaalsContact C-N 3.31Å; L249-A251 PolarHBondContact O-N 3.37Å; A251-S254 PolarHBondContact O-OG 3.26Å; A251-K255 WeakPolarHBondContact O-CB 3.3Å; A251-K255 PolarHBondContact O-N 3.21Å
252V84.1Confident84.2Confident104 Ų10470.6 Ų70.663%0.6339%0.385SS*.Hα-helixtrans-64.3-47.6179175.30000111.1Q248 L249 K255 W256Q248-V252 WeakPolarHBondContact O-CG2 3.34Å; Q248-V252 PolarHBondContact O-N 3.35Å; L249-V252 PolarHBondContact O-N 3.4Å; V252-K255 PolarHBondContact O-N 2.79Å; V252-W256 PolarHBondContact O-N 3.21Å
253V85.7Confident85.3Confident69 Ų6964.2 Ų64.242%0.41834%0.34SS..Hα-helixtrans-65.3-49.4-178.6172.40000110.7L249 K255 W256 L257L249-V253 HydrophobicContact CD1-CG2 4.11Å; L249-V253 HydrophobicContact CG-CG2 4.34Å; L249-V253 WeakPolarHBondContact O-CB 3.17Å; L249-V253 VanDerWaalsContact O-CG2 3.3Å; L249-V253 WeakPolarHBondContact O-CG2 3.12Å; L249-V253 PolarHBondContact O-N 3.27Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.01Å; V253-W256 PolarHBondContact O-N 2.63Å; V253-L257 HydrophobicContact CG1-CD1 3.7Å; V253-L257 HydrophobicContact CG1-CG 4.32Å; V253-L257 WeakPolarHBondContact O-CB 3.48Å; V253-L257 VanDerWaalsContact O-CG 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.36Å; V253-L257 PolarHBondContact O-N 3.29Å
254S85.9Confident86.4Confident13 Ų1361.8 Ų61.89%0.09132%0.323CS..Hα-helixtrans-64.5-37.4179.360.60000111.9P231 S250 A251 W256 L257 I258P231-S254 VanDerWaalsContact CB-OG 3.32Å; P231-S254 WeakPolarHBondContact CB-OG 3.14Å; P231-S254 VanDerWaalsContact CG-C 3.47Å; S250-S254 WeakPolarHBondContact O-CB 3.47Å; S250-S254 PolarHBondContact O-N 2.63Å; S250-S254 PolarHBondContact O-OG 3.16Å; A251-S254 PolarHBondContact O-OG 3.26Å; S254-W256 VanDerWaalsContact C-N 3.35Å; S254-W256 PolarHBondContact O-N 3.41Å; S254-L257 PolarHBondContact O-N 3.16Å; S254-I258 VanDerWaalsContact O-CB 3.28Å; S254-I258 WeakPolarHBondContact O-CB 3.47Å; S254-I258 WeakPolarHBondContact O-CG1 3.42Å; S254-I258 PolarHBondContact O-N 3.44Å
255K86.6Confident87.4Confident98 Ų9864.4 Ų64.443%0.42632%0.322SS..Hα-helixtrans-58.7-46.9172.1-173.5168.6-174.41580111.6P231 N232 A251 V252 V253 L257 M259P231-K255 HydrophobicContact CB-CB 3.7Å; P231-K255 HydrophobicContact CB-CG 4.49Å; P231-K255 HydrophobicContact CG-CB 4.34Å; N232-K255 WeakPolarHBondContact OD1-CE 3.46Å; N232-K255 PolarHBondContact OD1-NZ 3.01Å; A251-K255 WeakPolarHBondContact O-CB 3.3Å; A251-K255 PolarHBondContact O-N 3.21Å; V252-K255 PolarHBondContact O-N 2.79Å; V253-K255 VanDerWaalsContact C-N 3.34Å; V253-K255 PolarHBondContact O-N 3.01Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.25Å; K255-M259 HydrophobicContact CG-CG 4.26Å; K255-M259 HydrophobicContact CG-SD 3.96Å; K255-M259 VanDerWaalsContact O-CB 3.27Å; K255-M259 WeakPolarHBondContact O-CB 3.1Å; K255-M259 PolarHBondContact O-N 3.22Å; K255-M259 VanDerWaalsContact O-N 3.13Å
256W86.6Confident88.3Confident149 Ų14961 Ų6156%0.56430%0.299SS*.Hα-helixtrans-65.8-33177.3-174.392.5000112.5Y212 V252 V253 S254 R260Y212-W256 HydrophobicContact CD1-CH2 4.46Å; Y212-W256 AromaticContact CE1-CH2 3.86Å; Y212-W256 HydrophobicContact CE1-CH2 3.86Å; Y212-W256 AromaticContact CE1-CZ3 3.87Å; Y212-W256 HydrophobicContact CE1-CZ3 3.87Å; Y212-W256 PolarHBondContact OH-O 2.98Å; V252-W256 PolarHBondContact O-N 3.21Å; V253-W256 PolarHBondContact O-N 2.63Å; S254-W256 VanDerWaalsContact C-N 3.35Å; S254-W256 PolarHBondContact O-N 3.41Å; W256-R260 VanDerWaalsContact CE2-NH2 3.27Å; W256-R260 VanDerWaalsContact CG-NH2 3.28Å; W256-R260 PolarHBondContact O-NE 2.97Å; W256-R260 PolarHBondContact O-NH1 2.97Å; W256-R260 PolarHBondContact O-NH2 3.14Å
257L89.1Confident89.1Confident52 Ų5256.5 Ų56.527%0.27228%0.276SS..Hα-helixtrans-79.8-44.8-179-70.4173.4000113.8Y212 V253 S254 K255Y212-L257 HydrophobicContact CD2-CD2 3.97Å; Y212-L257 HydrophobicContact CE1-CD2 4.48Å; Y212-L257 HydrophobicContact CE2-CB 4.33Å; Y212-L257 HydrophobicContact CE2-CD2 3.42Å; Y212-L257 VanDerWaalsContact CE2-CD2 3.42Å; Y212-L257 HydrophobicContact CE2-CG 4.48Å; Y212-L257 VanDerWaalsContact OH-CA 3.25Å; Y212-L257 WeakPolarHBondContact OH-CA 3.45Å; Y212-L257 PolarHBondContact OH-O 3.44Å; Y212-L257 VanDerWaalsContact OH-O 3.06Å; V253-L257 HydrophobicContact CG1-CD1 3.7Å; V253-L257 HydrophobicContact CG1-CG 4.32Å; V253-L257 WeakPolarHBondContact O-CB 3.48Å; V253-L257 VanDerWaalsContact O-CG 3.31Å; V253-L257 WeakPolarHBondContact O-CG 3.36Å; V253-L257 PolarHBondContact O-N 3.29Å; S254-L257 PolarHBondContact O-N 3.16Å; K255-L257 VanDerWaalsContact C-N 3.3Å; K255-L257 PolarHBondContact O-N 3.25Å
258I89.9Confident89.9Confident13 Ų1359.9 Ų59.97%0.06729%0.291CS..Hα-helixtrans-94.3-39.1-166.5-60.1172.6000111.1L208 F229 P231 S254 R260 F276L208-I258 HydrophobicContact CD1-CG1 3.98Å; L208-I258 HydrophobicContact CD2-CG1 4.34Å; F229-I258 HydrophobicContact CE1-CD1 4.24Å; F229-I258 HydrophobicContact CE2-CD1 4.24Å; F229-I258 HydrophobicContact CZ-CD1 3.79Å; P231-I258 HydrophobicContact CG-CB 4.35Å; P231-I258 HydrophobicContact CG-CD1 4.25Å; S254-I258 VanDerWaalsContact O-CB 3.28Å; S254-I258 WeakPolarHBondContact O-CB 3.47Å; S254-I258 WeakPolarHBondContact O-CG1 3.42Å; S254-I258 PolarHBondContact O-N 3.44Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.21Å; I258-F276 HydrophobicContact CG2-CE1 3.92Å; I258-F276 HydrophobicContact CG2-CZ 4.23Å
259M91.4Very high90.7Very high22 Ų2256.9 Ų56.911%0.10828%0.278CS..  trans-81.172.7-175.4-60.1-158.867.200111.5L230 P231 K255 A287 V291L230-M259 HydrophobicContact CD1-CE 3.89Å; L230-M259 HydrophobicContact CD1-SD 3.84Å; P231-M259 HydrophobicContact CG-CG 4.44Å; K255-M259 HydrophobicContact CG-CG 4.26Å; K255-M259 HydrophobicContact CG-SD 3.96Å; K255-M259 VanDerWaalsContact O-CB 3.27Å; K255-M259 WeakPolarHBondContact O-CB 3.1Å; K255-M259 PolarHBondContact O-N 3.22Å; K255-M259 VanDerWaalsContact O-N 3.13Å; M259-A287 HydrophobicContact CE-CB 4.45Å; M259-A287 WeakPolarHBondContact CE-O 3.38Å; M259-V291 HydrophobicContact CB-CG1 4.32Å; M259-V291 HydrophobicContact CE-CB 4.33Å; M259-V291 HydrophobicContact CE-CG1 3.51Å; M259-V291 HydrophobicContact CE-CG2 3.85Å
260R94.6Very high91.2Very high67 Ų6752.5 Ų52.525%0.25325%0.253SS..  trans-125.8112.7179.4-67.9-65.6-179.6-106.16.6110.9Y211 W256 I258 S262 L263 I264Y211-R260 HydrophobicContact CE1-CB 4.46Å; Y211-R260 HydrophobicContact CE1-CG 4.25Å; W256-R260 VanDerWaalsContact CE2-NH2 3.27Å; W256-R260 VanDerWaalsContact CG-NH2 3.28Å; W256-R260 PolarHBondContact O-NE 2.97Å; W256-R260 PolarHBondContact O-NH1 2.97Å; W256-R260 PolarHBondContact O-NH2 3.14Å; I258-R260 VanDerWaalsContact C-N 3.26Å; I258-R260 PolarHBondContact O-N 3.21Å; R260-S262 VanDerWaalsContact C-N 3.27Å; R260-S262 PolarHBondContact O-N 3.09Å; R260-L263 HydrophobicContact CB-CB 3.8Å; R260-L263 WeakPolarHBondContact O-CB 3.38Å; R260-L263 PolarHBondContact O-N 2.74Å; R260-I264 PolarHBondContact O-N 3.14Å
261K95.6Very high91.8Very high136 Ų13651.6 Ų51.659%0.59125%0.248SC*.Hα-helixtrans-54-42.7177.3-67.1-170.3-177.2-154.20112.6I264 R265 S290 V291K261-I264 PolarHBondContact O-N 3.27Å; K261-R265 WeakPolarHBondContact O-CB 3.16Å; K261-R265 PolarHBondContact O-N 3.46Å; K261-S290 WeakPolarHBondContact CE-O 3.27Å; K261-S290 PolarHBondContact NZ-O 3.17Å; K261-V291 HydrophobicContact CG-CB 4.4Å
262S96.1Very high92.5Very high51 Ų5150.8 Ų50.836%0.35724%0.241SC..Hα-helixtrans-64.1-37.917841.20000112.9Y211 R260 H266Y211-S262 PolarHBondContact OH-OG 2.93Å; R260-S262 VanDerWaalsContact C-N 3.27Å; R260-S262 PolarHBondContact O-N 3.09Å; S262-H266 VanDerWaalsContact O-CB 3.24Å; S262-H266 WeakPolarHBondContact O-CB 3.06Å; S262-H266 PolarHBondContact O-N 3.43Å
263L96.1Very high93.1Very high3 Ų346.4 Ų46.42%0.01621%0.214CC..Hα-helixtrans-66.1-53.1175172.361.3000110.4V207 L208 Y211 L216 R260 R265 H266 L267V207-L263 HydrophobicContact CG1-CD1 4.19Å; L208-L263 HydrophobicContact CD2-CD2 3.56Å; Y211-L263 HydrophobicContact CD2-CB 3.97Å; Y211-L263 HydrophobicContact CD2-CD1 3.76Å; Y211-L263 HydrophobicContact CD2-CG 4.4Å; Y211-L263 HydrophobicContact CE1-CB 4.48Å; Y211-L263 HydrophobicContact CE2-CB 3.79Å; Y211-L263 HydrophobicContact CE2-CD1 4.44Å; Y211-L263 HydrophobicContact CG-CB 4.38Å; Y211-L263 HydrophobicContact CG-CD1 3.93Å; L216-L263 HydrophobicContact CD2-CD1 3.61Å; R260-L263 HydrophobicContact CB-CB 3.8Å; R260-L263 WeakPolarHBondContact O-CB 3.38Å; R260-L263 PolarHBondContact O-N 2.74Å; L263-R265 PolarHBondContact O-N 2.81Å; L263-H266 WeakPolarHBondContact O-CB 3.37Å; L263-H266 PolarHBondContact O-N 2.64Å; L263-H266 VanDerWaalsContact O-N 3.16Å; L263-L267 HydrophobicContact CD1-CD1 4.13Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 4.28Å; L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 3.44Å
264I95.9Very high93.6Very high4 Ų443.2 Ų43.22%0.02119%0.194CC..Hα-helixtrans-62-45.8-176.5-64173.1000110.5R260 K261 H266 L267 E268 V274 F276 V291 G292R260-I264 PolarHBondContact O-N 3.14Å; K261-I264 PolarHBondContact O-N 3.27Å; I264-H266 VanDerWaalsContact C-N 3.34Å; I264-H266 PolarHBondContact O-N 3.24Å; I264-L267 PolarHBondContact O-N 3.14Å; I264-L267 VanDerWaalsContact O-N 3.16Å; I264-E268 PolarHBondContact O-N 2.96Å; I264-V274 HydrophobicContact CG1-CG1 4.43Å; I264-V274 HydrophobicContact CG2-CB 4.16Å; I264-V274 HydrophobicContact CG2-CG1 4.45Å; I264-V274 HydrophobicContact CG2-CG2 4.13Å; I264-F276 HydrophobicContact CD1-CE2 4.04Å; I264-F276 HydrophobicContact CD1-CZ 4.12Å; I264-V291 HydrophobicContact CD1-CB 3.84Å; I264-V291 HydrophobicContact CD1-CG2 3.45Å; I264-V291 VanDerWaalsContact CD1-CG2 3.45Å; I264-G292 WeakPolarHBondContact CG2-O 3.37Å
265R96.1Very high94.2Very high125 Ų12542.6 Ų42.647%0.47219%0.19SC..Hα-helixtrans-57.4-44.9174.1179.8-179.3169.91568.2112.2K261 L263 L267 E268 E269K261-R265 WeakPolarHBondContact O-CB 3.16Å; K261-R265 PolarHBondContact O-N 3.46Å; L263-R265 PolarHBondContact O-N 2.81Å; R265-L267 VanDerWaalsContact C-N 3.3Å; R265-L267 PolarHBondContact O-N 2.76Å; R265-E268 PolarHBondContact O-N 3.2Å; R265-E269 HydrophobicContact CG-CG 4.3Å; R265-E269 IonicContact CZ-OE1 2.61Å; R265-E269 VanDerWaalsContact CZ-OE1 3.29Å; R265-E269 IonicContact NE-OE1 3.36Å; R265-E269 PolarHBondContact NE-OE1 2.83Å; R265-E269 IonicContact NH2-OE1 3.49Å; R265-E269 PolarHBondContact NH2-OE1 2.94Å; R265-E269 WeakPolarHBondContact O-CB 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.34Å; R265-E269 PolarHBondContact O-N 3.25Å
266H96.3Very high94.7Very high1 Ų138 Ų381%0.00517%0.17CC..Hα-helixtrans-62.2-38.5178-179.488.1000112.1L23 S262 L263 I264 R270L23-H266 HydrophobicContact CD1-CB 4.11Å; L23-H266 PolarHBondContact O-ND1 3.48Å; S262-H266 VanDerWaalsContact O-CB 3.24Å; S262-H266 WeakPolarHBondContact O-CB 3.06Å; S262-H266 PolarHBondContact O-N 3.43Å; L263-H266 WeakPolarHBondContact O-CB 3.37Å; L263-H266 PolarHBondContact O-N 2.64Å; L263-H266 VanDerWaalsContact O-N 3.16Å; I264-H266 VanDerWaalsContact C-N 3.34Å; I264-H266 PolarHBondContact O-N 3.24Å; H266-R270 VanDerWaalsContact NE2-CD 3.28Å; H266-R270 WeakPolarHBondContact NE2-CD 3.37Å; H266-R270 PolarHBondContact NE2-NH1 2.92Å; H266-R270 WeakPolarHBondContact O-CG 3.1Å; H266-R270 PolarHBondContact O-N 3.31Å
267L95.9Very high95Very high1 Ų132.7 Ų32.71%0.00515%0.15CC..Hα-helixtrans-67.4-45.9175.6-66.4178.5000111.1V207 I221 F226 L263 I264 R265 R270 G271 V272 V274V207-L267 HydrophobicContact CG1-CD2 4.22Å; I221-L267 HydrophobicContact CD1-CD2 3.54Å; F226-L267 HydrophobicContact CD1-CD1 3.84Å; F226-L267 HydrophobicContact CE1-CD1 4.35Å; L263-L267 HydrophobicContact CD1-CD1 4.13Å; L263-L267 HydrophobicContact CD1-CG 4.22Å; L263-L267 HydrophobicContact CG-CD1 4.28Å; L263-L267 WeakPolarHBondContact O-CG 3.36Å; L263-L267 PolarHBondContact O-N 3.44Å; I264-L267 PolarHBondContact O-N 3.14Å; I264-L267 VanDerWaalsContact O-N 3.16Å; R265-L267 VanDerWaalsContact C-N 3.3Å; R265-L267 PolarHBondContact O-N 2.76Å; L267-R270 CarbonylContact O-C 3.56Å; L267-R270 WeakPolarHBondContact O-CA 3.28Å; L267-R270 WeakPolarHBondContact O-CB 3.37Å; L267-R270 PolarHBondContact O-N 3.01Å; L267-R270 VanDerWaalsContact O-N 3.07Å; L267-G271 PolarHBondContact O-N 2.66Å; L267-V272 HydrophobicContact CB-CB 4.05Å; L267-V272 HydrophobicContact CB-CG1 4.39Å; L267-V272 WeakPolarHBondContact O-CB 3.38Å; L267-V272 PolarHBondContact O-N 2.82Å; L267-V274 HydrophobicContact CB-CG2 4.03Å; L267-V274 HydrophobicContact CD1-CG2 4.01Å
268E95.3Very high95.2Very high72 Ų7230.2 Ų30.234%0.33614%0.137SC..Hα-helixtrans-62.4-45.3178.2-171.8179.2-156.200112.1R38 I264 R265 R270 G271 V272 T294R38-E268 IonicContact CZ-OE1 2.92Å; R38-E268 IonicContact NH2-OE1 2.75Å; R38-E268 PolarHBondContact NH2-OE1 3.22Å; I264-E268 PolarHBondContact O-N 2.96Å; R265-E268 PolarHBondContact O-N 3.2Å; E268-R270 PolarHBondContact O-N 3.37Å; E268-R270 VanDerWaalsContact O-N 3.09Å; E268-G271 WeakPolarHBondContact O-CA 3.45Å; E268-G271 PolarHBondContact O-N 3.24Å; E268-V272 WeakPolarHBondContact CA-O 3.46Å; E268-T294 HydrophobicContact CG-CG2 4.1Å
269E94.7Very high95.4Very high59 Ų5929.6 Ų29.628%0.27613%0.134SC..Hα-helixtrans-63.1-16.8175.8-73.8-179.2-179.900112.7P26 R265P26-E269 WeakPolarHBondContact CD-OE2 3.42Å; P26-E269 HydrophobicContact CG-CB 3.67Å; R265-E269 HydrophobicContact CG-CG 4.3Å; R265-E269 IonicContact CZ-OE1 2.61Å; R265-E269 VanDerWaalsContact CZ-OE1 3.29Å; R265-E269 IonicContact NE-OE1 3.36Å; R265-E269 PolarHBondContact NE-OE1 2.83Å; R265-E269 IonicContact NH2-OE1 3.49Å; R265-E269 PolarHBondContact NH2-OE1 2.94Å; R265-E269 WeakPolarHBondContact O-CB 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.34Å; R265-E269 PolarHBondContact O-N 3.25Å
270R94.9Very high95.6Very high18 Ų1829.8 Ų29.87%0.06814%0.135CC..THydrogen-bonded Turntrans-94.54.3172.5-68.9-179.868.5177.34.2113.5P26 H30 L216 I219 I221 H266 L267 E268P26-R270 HydrophobicContact CB-CG 3.54Å; P26-R270 HydrophobicContact CG-CG 3.94Å; H30-R270 PolarHBondContact CE1-NH2 2.97Å; H30-R270 PolarHBondContact ND1-NH2 2.89Å; H30-R270 VanDerWaalsContact ND1-NH2 3.16Å; H30-R270 PolarHBondContact NE2-NH2 3.23Å; L216-R270 PolarHBondContact O-NH1 2.73Å; L216-R270 VanDerWaalsContact O-NH1 3.14Å; I219-R270 VanDerWaalsContact O-CZ 3.31Å; I219-R270 PolarHBondContact O-NH1 2.82Å; I219-R270 PolarHBondContact O-NH2 3.48Å; I221-R270 VanDerWaalsContact CD1-NH1 3.3Å; H266-R270 VanDerWaalsContact NE2-CD 3.28Å; H266-R270 WeakPolarHBondContact NE2-CD 3.37Å; H266-R270 PolarHBondContact NE2-NH1 2.92Å; H266-R270 WeakPolarHBondContact O-CG 3.1Å; H266-R270 PolarHBondContact O-N 3.31Å; L267-R270 CarbonylContact O-C 3.56Å; L267-R270 WeakPolarHBondContact O-CA 3.28Å; L267-R270 WeakPolarHBondContact O-CB 3.37Å; L267-R270 PolarHBondContact O-N 3.01Å; L267-R270 VanDerWaalsContact O-N 3.07Å; E268-R270 PolarHBondContact O-N 3.37Å; E268-R270 VanDerWaalsContact O-N 3.09Å
271G94.6Very high95.5Very high7 Ų730.4 Ų30.47%0.07214%0.141CC..THydrogen-bonded Turntrans79.325.9-179.600000113.7P35 L267 E268P35-G271 WeakPolarHBondContact CD-O 3.47Å; L267-G271 PolarHBondContact O-N 2.66Å; E268-G271 WeakPolarHBondContact O-CA 3.45Å; E268-G271 PolarHBondContact O-N 3.24Å
272V96.4Very high95.4Very high2 Ų229.3 Ų29.31%0.01214%0.138CC..  trans-99.3127172.5-178.80000109.3F199 I221 K224 F226 L267 E268F199-V272 HydrophobicContact CE2-CG1 3.72Å; F199-V272 HydrophobicContact CZ-CG1 4.37Å; I221-V272 HydrophobicContact CG2-CG2 3.82Å; K224-V272 WeakPolarHBondContact O-CA 3.46Å; F226-V272 HydrophobicContact CB-CG1 4.1Å; L267-V272 HydrophobicContact CB-CB 4.05Å; L267-V272 HydrophobicContact CB-CG1 4.39Å; L267-V272 WeakPolarHBondContact O-CB 3.38Å; L267-V272 PolarHBondContact O-N 2.82Å; E268-V272 WeakPolarHBondContact CA-O 3.46Å
273Q97.3Very high95.3Very high12 Ų1230.1 Ų30.16%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-85.8125.7172.2-65.6-167.868.100110P35 F37 K224 F225 F226 T294P35-Q273 HydrophobicContact CG-CG 4.34Å; F37-Q273 PolarHBondContact O-NE2 3.42Å; K224-Q273 PolarHBondContact O-N 2.9Å; F225-Q273 HydrophobicContact CD1-CB 3.92Å; F225-Q273 HydrophobicContact CE1-CB 4.09Å; F225-Q273 HydrophobicContact CE1-CG 4.31Å; F225-Q273 VanDerWaalsContact CE1-NE2 3.33Å; F226-Q273 PolarHBondContact N-O 3.46Å; Q273-T294 WeakPolarHBondContact CA-OG1 3.44Å; Q273-T294 HydrophobicContact CB-CG2 4.39Å; Q273-T294 WeakPolarHBondContact CB-OG1 3.49Å; Q273-T294 HydrophobicContact CG-CG2 4.43Å
274V97.1Very high95.2Very high2 Ų230.2 Ų30.21%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-104.1109.6178.9-176.50000108.1F226 I264 L267 F276 T294 G295F226-V274 HydrophobicContact CB-CG2 4.43Å; F226-V274 HydrophobicContact CD1-CG1 4.47Å; I264-V274 HydrophobicContact CG1-CG1 4.43Å; I264-V274 HydrophobicContact CG2-CB 4.16Å; I264-V274 HydrophobicContact CG2-CG1 4.45Å; I264-V274 HydrophobicContact CG2-CG2 4.13Å; L267-V274 HydrophobicContact CB-CG2 4.03Å; L267-V274 HydrophobicContact CD1-CG2 4.01Å; V274-F276 HydrophobicContact CG1-CE2 4.19Å; V274-F276 HydrophobicContact CG1-CZ 4.34Å; V274-T294 PolarHBondContact N-OG1 2.84Å; V274-T294 PolarHBondContact O-N 3.4Å; V274-T294 PolarHBondContact O-OG1 3.47Å; V274-G295 PolarHBondContact O-N 2.65Å
275V97.6Very high95.1Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-118.9122.4-176.6174.80000108.8V39 F226 F227 C228 G295 M297V39-V275 HydrophobicContact CB-CG2 4.09Å; V39-V275 HydrophobicContact CG1-CG2 3.96Å; F226-V275 PolarHBondContact O-N 2.75Å; F227-V275 WeakPolarHBondContact CA-O 3.29Å; F227-V275 HydrophobicContact CD1-CB 3.81Å; F227-V275 HydrophobicContact CD1-CG1 4.16Å; F227-V275 HydrophobicContact CE1-CB 3.99Å; F227-V275 HydrophobicContact CE1-CG1 4.29Å; F227-V275 HydrophobicContact CE1-CG2 4.29Å; C228-V275 PolarHBondContact N-O 3.44Å; C228-V275 VanDerWaalsContact N-O 3.08Å; V275-G295 WeakPolarHBondContact CA-O 3.38Å; V275-M297 HydrophobicContact CG1-CB 3.98Å
276F96.8Very high95.1Very high1 Ų127.4 Ų27.40%0.00414%0.136CC..EExtended strand (participates in β ladder)trans-89.9134.8179.4-75.1-73.9000111.8C228 L230 I258 I264 V274 L279 A288 V291 A293 G295 M297C228-F276 HydrophobicContact CB-CD1 4.22Å; C228-F276 HydrophobicContact CB-CE1 4.12Å; C228-F276 CarbonylContact O-C 3.53Å; C228-F276 WeakPolarHBondContact O-CA 3.4Å; C228-F276 WeakPolarHBondContact O-CD1 3.19Å; L230-F276 HydrophobicContact CB-CB 4.37Å; L230-F276 HydrophobicContact CB-CD1 4.15Å; L230-F276 HydrophobicContact CB-CG 4.45Å; L230-F276 HydrophobicContact CD1-CD1 3.97Å; L230-F276 HydrophobicContact CD1-CD2 4.41Å; L230-F276 HydrophobicContact CD1-CE1 4.18Å; L230-F276 HydrophobicContact CD1-CG 4.1Å; L230-F276 HydrophobicContact CD1-CZ 4.49Å; I258-F276 HydrophobicContact CG2-CE1 3.92Å; I258-F276 HydrophobicContact CG2-CZ 4.23Å; I264-F276 HydrophobicContact CD1-CE2 4.04Å; I264-F276 HydrophobicContact CD1-CZ 4.12Å; V274-F276 HydrophobicContact CG1-CE2 4.19Å; V274-F276 HydrophobicContact CG1-CZ 4.34Å; F276-L279 HydrophobicContact CB-CD1 3.93Å; F276-L279 HydrophobicContact CB-CG 4.44Å; F276-A288 HydrophobicContact CB-CB 4.2Å; F276-A288 HydrophobicContact CD2-CB 3.82Å; F276-A288 HydrophobicContact CG-CB 4.34Å; F276-V291 HydrophobicContact CE2-CG2 4.09Å; F276-A293 HydrophobicContact CD2-CB 3.6Å; F276-A293 HydrophobicContact CE2-CB 3.84Å; F276-G295 PolarHBondContact N-O 2.83Å; F276-M297 PolarHBondContact O-N 2.84Å
277W92.9Very high94.9Very high39 Ų3928 Ų2815%0.14814%0.142CC..EExtended strand (participates in β ladder)trans-127.1167.9177.661.2-95.7000111.7F119 F227 C228 F229 L230 M297F119-W277 HydrophobicContact CE1-CE3 4.37Å; F119-W277 HydrophobicContact CE1-CZ3 4Å; F119-W277 AromaticContact CZ-CE3 3.92Å; F119-W277 HydrophobicContact CZ-CE3 3.92Å; F119-W277 AromaticContact CZ-CZ3 3.63Å; F119-W277 HydrophobicContact CZ-CZ3 3.63Å; F227-W277 VanDerWaalsContact C-NE1 3.25Å; F227-W277 PolarHBondContact O-NE1 3.19Å; C228-W277 VanDerWaalsContact C-CD1 3.48Å; C228-W277 VanDerWaalsContact N-CD1 3.34Å; C228-W277 PolarHBondContact O-N 2.82Å; F229-W277 VanDerWaalsContact CA-O 3.26Å; F229-W277 WeakPolarHBondContact CA-O 3.38Å; F229-W277 HydrophobicContact CB-CH2 4.3Å; F229-W277 HydrophobicContact CB-CZ2 4.27Å; F229-W277 HydrophobicContact CB-CZ3 4.43Å; L230-W277 PolarHBondContact N-O 3.05Å; W277-M297 HydrophobicContact CB-CB 3.79Å; W277-M297 HydrophobicContact CB-CG 4.05Å; W277-M297 HydrophobicContact CB-SD 3.74Å; W277-M297 HydrophobicContact CG-SD 4.44Å
278C92.9Very high94.9Very high0 Ų028 Ų280%014%0.142CC..  cis-90.5117.4-36.8-167.90000106.3F119 D299F119-C278 HydrophobicContact CB-CB 4.02Å; F119-C278 HydrophobicContact CD1-CB 4.23Å; F119-C278 HydrophobicContact CD2-CB 3.33Å; F119-C278 HydrophobicContact CE2-CB 3.75Å; F119-C278 HydrophobicContact CG-CB 3.61Å; F119-C278 HydrophobicContact CZ-CB 4.36Å; C278-D299 PolarHBondContact SG-N 3.43Å; C278-D299 VanDerWaalsContact SG-N 3.41Å; C278-D299 PolarHBondContact SG-OD2 3.34Å
279L94.9Very high94.9Very high0 Ų026.5 Ų26.50%013%0.134CC..  trans-104.1131-175.6-46.4-172.4000108L230 I233 F276 D284 F285 A288 V296 M297 T298L230-L279 HydrophobicContact CB-CD1 4.42Å; L230-L279 HydrophobicContact CB-CD2 3.35Å; L230-L279 HydrophobicContact CB-CG 4.5Å; L230-L279 HydrophobicContact CD2-CD1 3.93Å; L230-L279 HydrophobicContact CD2-CD2 3.74Å; L230-L279 HydrophobicContact CG-CD2 4.18Å; I233-L279 HydrophobicContact CG2-CD2 3.81Å; F276-L279 HydrophobicContact CB-CD1 3.93Å; F276-L279 HydrophobicContact CB-CG 4.44Å; L279-D284 HydrophobicContact CB-CB 3.95Å; L279-D284 HydrophobicContact CD1-CB 4.25Å; L279-D284 WeakPolarHBondContact CD1-O 3.47Å; L279-D284 HydrophobicContact CD2-CB 4.25Å; L279-D284 HydrophobicContact CG-CB 4.36Å; L279-F285 HydrophobicContact CB-CD1 3.83Å; L279-F285 HydrophobicContact CB-CE1 3.83Å; L279-F285 WeakPolarHBondContact O-CE1 3.25Å; L279-A288 HydrophobicContact CD1-CB 3.68Å; L279-V296 HydrophobicContact CB-CG1 3.73Å; L279-V296 HydrophobicContact CD1-CB 4.46Å; L279-V296 HydrophobicContact CD1-CG1 3.73Å; L279-V296 HydrophobicContact CD1-CG2 3.94Å; L279-V296 HydrophobicContact CG-CG1 3.87Å; L279-M297 PolarHBondContact N-O 2.83Å; L279-T298 WeakPolarHBondContact O-CA 3.38Å; L279-T298 WeakPolarHBondContact O-CB 3.36Å; L279-T298 PolarHBondContact O-OG1 3.35Å
280N94.8Very high94.9Very high25 Ų2526.2 Ų26.213%0.13414%0.139CC..  trans-125.3-2.5-174.4-68.4-19.8000113F119 S120 T298 D299 Y300F119-N280 PolarHBondContact O-ND2 3.34Å; S120-N280 PolarHBondContact OG-ND2 3.05Å; N280-T298 PolarHBondContact OD1-OG1 2.72Å; N280-D299 PolarHBondContact ND2-OD2 2.84Å; N280-D299 WeakPolarHBondContact OD1-CB 3.06Å; N280-D299 PolarHBondContact OD1-N 3.19Å; N280-D299 PolarHBondContact OD1-OD2 3.46Å; N280-Y300 HydrophobicContact CB-CD2 3.62Å; N280-Y300 HydrophobicContact CB-CE2 3.77Å
281E93Very high94.8Very high80 Ų8026 Ų2637%0.37414%0.139SC..SBendtrans-120.7148.2179-65-177.9-166.300111.9R236 S283 D284 F285R236-E281 IonicContact CZ-OE1 3.24Å; R236-E281 IonicContact CZ-OE2 3.47Å; R236-E281 IonicContact NH1-OE1 2.64Å; R236-E281 IonicContact NH1-OE2 2.81Å; R236-E281 PolarHBondContact NH1-OE2 3.34Å; R236-E281 IonicContact NH2-OE1 3.33Å; R236-E281 PolarHBondContact NH2-OE1 3.01Å; R236-E281 IonicContact NH2-OE2 2.7Å; R236-E281 PolarHBondContact NH2-OE2 2.7Å; E281-S283 PolarHBondContact O-N 3.48Å; E281-S283 PolarHBondContact OE2-OG 3.47Å; E281-D284 PolarHBondContact O-N 3.45Å; E281-F285 WeakPolarHBondContact O-CD1 3.27Å; E281-F285 WeakPolarHBondContact O-CG 3.26Å; E281-F285 PolarHBondContact O-N 3Å
282E93.9Very high94.8Very high113 Ų11327.2 Ų27.253%0.52815%0.152SC..Hα-helixtrans-56.9-35.6177.5-171.9170.8166.700113.1D284 F285 E286 Y307E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.81Å; E282-F285 HydrophobicContact CB-CD2 4.48Å; E282-F285 WeakPolarHBondContact O-CB 3.36Å; E282-F285 PolarHBondContact O-N 2.96Å; E282-E286 WeakPolarHBondContact O-CB 3.29Å; E282-E286 PolarHBondContact O-N 3.36Å; E282-Y307 HydrophobicContact CG-CD2 3.51Å; E282-Y307 HydrophobicContact CG-CE2 4.01Å; E282-Y307 HydrophobicContact CG-CG 4.45Å
283S93.4Very high94.8Very high69 Ų6927.5 Ų27.548%0.48315%0.154SC..Hα-helixtrans-65-32.6177.571.70000112.9E281 A287E281-S283 PolarHBondContact O-N 3.48Å; E281-S283 PolarHBondContact OE2-OG 3.47Å; S283-A287 PolarHBondContact O-N 3.11Å
284D93.6Very high94.8Very high5 Ų527.2 Ų27.23%0.02715%0.153CC..Hα-helixtrans-78.1-38.5176.8-69.6-43.8000111.1L230 R236 L279 E281 E282 E286 A287 A288L230-D284 HydrophobicContact CD2-CB 4.08Å; R236-D284 IonicContact NH1-OD1 3.24Å; R236-D284 IonicContact NH1-OD2 3.69Å; R236-D284 PolarHBondContact NH1-OD2 3.05Å; L279-D284 HydrophobicContact CB-CB 3.95Å; L279-D284 HydrophobicContact CD1-CB 4.25Å; L279-D284 WeakPolarHBondContact CD1-O 3.47Å; L279-D284 HydrophobicContact CD2-CB 4.25Å; L279-D284 HydrophobicContact CG-CB 4.36Å; E281-D284 PolarHBondContact O-N 3.45Å; E282-D284 VanDerWaalsContact C-N 3.29Å; E282-D284 PolarHBondContact O-N 2.81Å; D284-E286 PolarHBondContact O-N 3.09Å; D284-A287 PolarHBondContact O-N 3.42Å; D284-A288 PolarHBondContact O-N 3.38Å
285F95.4Very high94.8Very high2 Ų227.1 Ų27.11%0.00915%0.153CC..Hα-helixtrans-54.4-47169.7-54.9-23.4000110.1L279 E281 E282 A287 A288 F289 V296 A303 L304 Y307L279-F285 HydrophobicContact CB-CD1 3.83Å; L279-F285 HydrophobicContact CB-CE1 3.83Å; L279-F285 WeakPolarHBondContact O-CE1 3.25Å; E281-F285 WeakPolarHBondContact O-CD1 3.27Å; E281-F285 WeakPolarHBondContact O-CG 3.26Å; E281-F285 PolarHBondContact O-N 3Å; E282-F285 HydrophobicContact CB-CD2 4.48Å; E282-F285 WeakPolarHBondContact O-CB 3.36Å; E282-F285 PolarHBondContact O-N 2.96Å; F285-A287 PolarHBondContact O-N 3.31Å; F285-A288 PolarHBondContact O-N 3.48Å; F285-F289 WeakPolarHBondContact O-CD2 3.32Å; F285-F289 PolarHBondContact O-N 3.38Å; F285-V296 HydrophobicContact CD1-CG1 3.73Å; F285-V296 HydrophobicContact CE1-CG1 3.89Å; F285-A303 HydrophobicContact CE2-CB 4.37Å; F285-L304 HydrophobicContact CB-CD1 4.37Å; F285-L304 HydrophobicContact CD1-CD1 4.1Å; F285-L304 HydrophobicContact CD2-CD1 3.91Å; F285-L304 HydrophobicContact CE1-CB 4.4Å; F285-L304 HydrophobicContact CE1-CD1 4.29Å; F285-L304 HydrophobicContact CE2-CB 3.98Å; F285-L304 HydrophobicContact CE2-CD1 4.2Å; F285-L304 HydrophobicContact CG-CD1 3.88Å; F285-L304 HydrophobicContact CZ-CB 3.9Å; F285-L304 HydrophobicContact CZ-CD1 4.38Å; F285-Y307 HydrophobicContact CB-CD1 4.07Å; F285-Y307 HydrophobicContact CB-CD2 4.42Å; F285-Y307 HydrophobicContact CB-CE1 3.99Å; F285-Y307 HydrophobicContact CB-CE2 4.25Å; F285-Y307 HydrophobicContact CB-CG 4.28Å; F285-Y307 HydrophobicContact CD2-CD1 4.37Å; F285-Y307 HydrophobicContact CD2-CG 4.07Å
286E94.8Very high94.8Very high67 Ų6727.1 Ų27.131%0.31315%0.153SC..Hα-helixtrans-62.2-46.2178.4-17962.116900112.9E282 D284 A288 F289 S290 Y307 R311E282-E286 WeakPolarHBondContact O-CB 3.29Å; E282-E286 PolarHBondContact O-N 3.36Å; D284-E286 PolarHBondContact O-N 3.09Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.9Å; E286-F289 PolarHBondContact O-N 3.27Å; E286-S290 WeakPolarHBondContact O-CB 3.33Å; E286-S290 PolarHBondContact O-N 3.06Å; E286-S290 PolarHBondContact O-OG 3.07Å; E286-Y307 PolarHBondContact OE2-OH 2.77Å; E286-R311 IonicContact OE1-CZ 2.73Å; E286-R311 IonicContact OE1-NH1 3.09Å; E286-R311 PolarHBondContact OE1-NH1 3.14Å; E286-R311 IonicContact OE1-NH2 2.61Å; E286-R311 PolarHBondContact OE1-NH2 3.43Å; E286-R311 VanDerWaalsContact OE1-NH2 3.1Å; E286-R311 IonicContact OE2-CZ 2.86Å; E286-R311 IonicContact OE2-NE 3.52Å; E286-R311 IonicContact OE2-NH1 3.15Å; E286-R311 PolarHBondContact OE2-NH1 3.24Å; E286-R311 IonicContact OE2-NH2 3.02Å; E286-R311 PolarHBondContact OE2-NH2 2.92Å
287A93.4Very high94.8Very high15 Ų1527.3 Ų27.312%0.12415%0.154CC..Hα-helixtrans-58.1-43.617800000111.6L230 N232 M259 S283 D284 F285 S290L230-A287 HydrophobicContact CD2-CB 4.12Å; N232-A287 WeakPolarHBondContact ND2-CB 3.3Å; M259-A287 HydrophobicContact CE-CB 4.45Å; M259-A287 WeakPolarHBondContact CE-O 3.38Å; S283-A287 PolarHBondContact O-N 3.11Å; D284-A287 PolarHBondContact O-N 3.42Å; F285-A287 PolarHBondContact O-N 3.31Å; A287-S290 PolarHBondContact O-OG 3.3Å
288A95.3Very high95.1Very high0 Ų025.5 Ų25.50%015%0.147CC..Hα-helixtrans-63.8-52178.100000112.5F276 L279 D284 F285 E286 S290 V291 A293 V296F276-A288 HydrophobicContact CB-CB 4.2Å; F276-A288 HydrophobicContact CD2-CB 3.82Å; F276-A288 HydrophobicContact CG-CB 4.34Å; L279-A288 HydrophobicContact CD1-CB 3.68Å; D284-A288 PolarHBondContact O-N 3.38Å; F285-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact C-N 3.29Å; E286-A288 PolarHBondContact O-N 2.9Å; A288-S290 VanDerWaalsContact C-N 3.33Å; A288-S290 PolarHBondContact O-N 2.85Å; A288-V291 WeakPolarHBondContact O-CG2 3.29Å; A288-V291 PolarHBondContact O-N 2.87Å; A288-A293 HydrophobicContact CB-CB 4.22Å; A288-A293 WeakPolarHBondContact O-CB 3.41Å; A288-A293 PolarHBondContact O-N 3.32Å; A288-V296 HydrophobicContact CB-CG2 3.73Å
289F95.4Very high95.3Very high40 Ų4025.5 Ų25.518%0.17515%0.147CC..Hα-helixtrans-68.8-30.9-179.5-70.3-62.8000112.6F285 E286 V291 G292 V296 L304 Y307 L308F285-F289 WeakPolarHBondContact O-CD2 3.32Å; F285-F289 PolarHBondContact O-N 3.38Å; E286-F289 PolarHBondContact O-N 3.27Å; F289-V291 PolarHBondContact O-N 3.21Å; F289-V291 VanDerWaalsContact O-N 3.16Å; F289-G292 PolarHBondContact O-N 2.7Å; F289-V296 HydrophobicContact CD2-CG2 4.27Å; F289-V296 HydrophobicContact CE2-CB 4.41Å; F289-V296 HydrophobicContact CE2-CG2 3.66Å; F289-V296 HydrophobicContact CZ-CB 4.35Å; F289-V296 HydrophobicContact CZ-CG2 3.79Å; F289-L304 HydrophobicContact CE2-CD1 4.17Å; F289-Y307 AromaticContact CD2-CE1 3.51Å; F289-Y307 HydrophobicContact CD2-CE1 3.51Å; F289-Y307 HydrophobicContact CE2-CD1 4.31Å; F289-Y307 AromaticContact CE2-CE1 3.7Å; F289-Y307 HydrophobicContact CE2-CE1 3.7Å; F289-L308 HydrophobicContact CE2-CD2 3.98Å; F289-L308 HydrophobicContact CZ-CD2 3.86Å
290S94.2Very high95.4Very high54 Ų5427.7 Ų27.738%0.37816%0.155SC..Hα-helixtrans-60.8-26.4177.8780000113.7K261 E286 A287 A288K261-S290 WeakPolarHBondContact CE-O 3.27Å; K261-S290 PolarHBondContact NZ-O 3.17Å; E286-S290 WeakPolarHBondContact O-CB 3.33Å; E286-S290 PolarHBondContact O-N 3.06Å; E286-S290 PolarHBondContact O-OG 3.07Å; A287-S290 PolarHBondContact O-OG 3.3Å; A288-S290 VanDerWaalsContact C-N 3.33Å; A288-S290 PolarHBondContact O-N 2.85Å
291V93.6Very high95.6Very high13 Ų1326.5 Ų26.58%0.07915%0.149CC..THydrogen-bonded Turntrans-93.8-0.5176.7-63.90000113.9M259 K261 I264 F276 A288 F289M259-V291 HydrophobicContact CB-CG1 4.32Å; M259-V291 HydrophobicContact CE-CB 4.33Å; M259-V291 HydrophobicContact CE-CG1 3.51Å; M259-V291 HydrophobicContact CE-CG2 3.85Å; K261-V291 HydrophobicContact CG-CB 4.4Å; I264-V291 HydrophobicContact CD1-CB 3.84Å; I264-V291 HydrophobicContact CD1-CG2 3.45Å; I264-V291 VanDerWaalsContact CD1-CG2 3.45Å; F276-V291 HydrophobicContact CE2-CG2 4.09Å; A288-V291 WeakPolarHBondContact O-CG2 3.29Å; A288-V291 PolarHBondContact O-N 2.87Å; F289-V291 PolarHBondContact O-N 3.21Å; F289-V291 VanDerWaalsContact O-N 3.16Å
292G94.9Very high95.8Very high32 Ų3225.2 Ų25.233%0.3315%0.147SC..THydrogen-bonded Turntrans92.821.6177.200000114.6I264 F289I264-G292 WeakPolarHBondContact CG2-O 3.37Å; F289-G292 PolarHBondContact O-N 2.7Å
293A96.1Very high96Very high8 Ų822 Ų227%0.06614%0.139CC..  trans-55.4141.3172.800000110.8F276 A288 G295F276-A293 HydrophobicContact CD2-CB 3.6Å; F276-A293 HydrophobicContact CE2-CB 3.84Å; A288-A293 HydrophobicContact CB-CB 4.22Å; A288-A293 WeakPolarHBondContact O-CB 3.41Å; A288-A293 PolarHBondContact O-N 3.32Å; A293-G295 VanDerWaalsContact C-N 3.33Å
294T96.2Very high96.2Very high6 Ų618.7 Ų18.74%0.03712%0.116CC..SBendtrans-72.8-33.317755.30000111.1V39 E268 Q273 V274V39-T294 CarbonylContact O-C 3.55Å; E268-T294 HydrophobicContact CG-CG2 4.1Å; Q273-T294 WeakPolarHBondContact CA-OG1 3.44Å; Q273-T294 HydrophobicContact CB-CG2 4.39Å; Q273-T294 WeakPolarHBondContact CB-OG1 3.49Å; Q273-T294 HydrophobicContact CG-CG2 4.43Å; V274-T294 PolarHBondContact N-OG1 2.84Å; V274-T294 PolarHBondContact O-N 3.4Å; V274-T294 PolarHBondContact O-OG1 3.47Å
295G97.1Very high96.4Very high0 Ų020.1 Ų20.10%012%0.121CC..EExtended strand (participates in β ladder)trans-159.1178.1178.600000114.1V39 R40 V274 V275 F276 A293V39-G295 WeakPolarHBondContact O-CA 3.43Å; V39-G295 PolarHBondContact O-N 3.35Å; R40-G295 VanDerWaalsContact O-CA 3.25Å; R40-G295 WeakPolarHBondContact O-CA 3.45Å; V274-G295 PolarHBondContact O-N 2.65Å; V275-G295 WeakPolarHBondContact CA-O 3.38Å; F276-G295 PolarHBondContact N-O 2.83Å; A293-G295 VanDerWaalsContact C-N 3.33Å
296V97.9Very high96.4Very high0 Ų025.3 Ų25.30%015%0.145CC..EExtended strand (participates in β ladder)trans-128.6141176.6170.30000109R40 A42 L279 F285 A288 F289 L304R40-V296 PolarHBondContact O-N 3.03Å; A42-V296 PolarHBondContact N-O 3.49Å; L279-V296 HydrophobicContact CB-CG1 3.73Å; L279-V296 HydrophobicContact CD1-CB 4.46Å; L279-V296 HydrophobicContact CD1-CG1 3.73Å; L279-V296 HydrophobicContact CD1-CG2 3.94Å; L279-V296 HydrophobicContact CG-CG1 3.87Å; F285-V296 HydrophobicContact CD1-CG1 3.73Å; F285-V296 HydrophobicContact CE1-CG1 3.89Å; A288-V296 HydrophobicContact CB-CG2 3.73Å; F289-V296 HydrophobicContact CD2-CG2 4.27Å; F289-V296 HydrophobicContact CE2-CB 4.41Å; F289-V296 HydrophobicContact CE2-CG2 3.66Å; F289-V296 HydrophobicContact CZ-CB 4.35Å; F289-V296 HydrophobicContact CZ-CG2 3.79Å; V296-L304 HydrophobicContact CB-CD1 4.31Å; V296-L304 HydrophobicContact CB-CD2 3.73Å; V296-L304 HydrophobicContact CG1-CD2 3.82Å; V296-L304 WeakPolarHBondContact O-CD2 3.46Å
297M98.1Very high96.5Very high6 Ų622.4 Ų22.43%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-105.2130.2170.4-179.3179.9-65.900109.4A42 H44 E71 F227 V275 F276 W277 L279A42-M297 HydrophobicContact CB-CB 3.86Å; A42-M297 HydrophobicContact CB-CE 4.05Å; A42-M297 HydrophobicContact CB-CG 4.04Å; A42-M297 VanDerWaalsContact O-CA 3.26Å; A42-M297 WeakPolarHBondContact O-CA 3.21Å; H44-M297 HydrophobicContact CB-CG 3.82Å; H44-M297 HydrophobicContact CB-SD 4.44Å; E71-M297 HydrophobicContact CB-CE 3.74Å; E71-M297 HydrophobicContact CB-SD 4.05Å; E71-M297 HydrophobicContact CG-CE 3.61Å; E71-M297 HydrophobicContact CG-SD 3.78Å; F227-M297 HydrophobicContact CD1-CE 4.02Å; F227-M297 HydrophobicContact CE1-CE 4.09Å; F227-M297 HydrophobicContact CG-CE 4.47Å; V275-M297 HydrophobicContact CG1-CB 3.98Å; F276-M297 PolarHBondContact O-N 2.84Å; W277-M297 HydrophobicContact CB-CB 3.79Å; W277-M297 HydrophobicContact CB-CG 4.05Å; W277-M297 HydrophobicContact CB-SD 3.74Å; W277-M297 HydrophobicContact CG-SD 4.44Å; L279-M297 PolarHBondContact N-O 2.83Å
298T97.9Very high96.6Very high0 Ų021.9 Ų21.90%013%0.127CC..EExtended strand (participates in β ladder)trans-142.3150.3-169.4-173.60000112.2A42 H44 L279 N280 Y300 L304A42-T298 PolarHBondContact O-N 3.28Å; H44-T298 WeakPolarHBondContact CB-O 3.37Å; H44-T298 PolarHBondContact N-O 2.9Å; L279-T298 WeakPolarHBondContact O-CA 3.38Å; L279-T298 WeakPolarHBondContact O-CB 3.36Å; L279-T298 PolarHBondContact O-OG1 3.35Å; N280-T298 PolarHBondContact OD1-OG1 2.72Å; T298-Y300 PolarHBondContact OG1-N 3.14Å; T298-L304 HydrophobicContact CG2-CB 3.83Å; T298-L304 HydrophobicContact CG2-CD2 3.72Å; T298-L304 HydrophobicContact CG2-CG 4.44Å
299D97.6Very high96.6Very high0 Ų025.6 Ų25.60%015%0.147CC..SBendtrans-74.1-17.4166-67-56.5000111.9H44 G47 S48 G49 V117 C278 N280 P301H44-D299 IonicContact CE1-OD1 3.05Å; H44-D299 IonicContact CG-OD1 2.96Å; H44-D299 IonicContact ND1-OD1 3.71Å; H44-D299 PolarHBondContact ND1-OD1 3.5Å; G47-D299 CarbonylContact C-O 3.47Å; G47-D299 WeakPolarHBondContact CA-O 2.85Å; S48-D299 PolarHBondContact OG-OD1 3.2Å; G49-D299 VanDerWaalsContact CA-O 3.29Å; G49-D299 WeakPolarHBondContact CA-O 3.19Å; G49-D299 PolarHBondContact N-O 3.48Å; V117-D299 HydrophobicContact CG1-CB 4.09Å; C278-D299 PolarHBondContact SG-N 3.43Å; C278-D299 VanDerWaalsContact SG-N 3.41Å; C278-D299 PolarHBondContact SG-OD2 3.34Å; N280-D299 PolarHBondContact ND2-OD2 2.84Å; N280-D299 WeakPolarHBondContact OD1-CB 3.06Å; N280-D299 PolarHBondContact OD1-N 3.19Å; N280-D299 PolarHBondContact OD1-OD2 3.46Å; D299-P301 VanDerWaalsContact C-CD 3.43Å; D299-P301 VanDerWaalsContact O-CD 3.23Å; D299-P301 WeakPolarHBondContact O-CD 3.22Å
300Y97.8Very high96.4Very high46 Ų4628.8 Ų28.818%0.1817%0.166CC..  trans-119.972.9-175.1-59.3-87.7000113G49 E50 N280 T298 T302 A303 L304G49-Y300 VanDerWaalsContact C-CE1 3.45Å; G49-Y300 WeakPolarHBondContact O-CE1 3.37Å; E50-Y300 HydrophobicContact CG-CD1 3.87Å; E50-Y300 VanDerWaalsContact OE1-CA 3.24Å; E50-Y300 WeakPolarHBondContact OE1-CA 3.38Å; N280-Y300 HydrophobicContact CB-CD2 3.62Å; N280-Y300 HydrophobicContact CB-CE2 3.77Å; T298-Y300 PolarHBondContact OG1-N 3.14Å; Y300-T302 VanDerWaalsContact C-N 3.26Å; Y300-T302 PolarHBondContact O-N 3.08Å; Y300-A303 WeakPolarHBondContact O-CB 3.23Å; Y300-A303 PolarHBondContact O-N 2.83Å; Y300-A303 VanDerWaalsContact O-N 3.11Å; Y300-L304 PolarHBondContact O-N 3.4Å
301P98Very high95.7Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-51.3-38.5179.4-28.734.2000114.9L41 A43 E50 S62 Q65 D299 L304 R305L41-P301 HydrophobicContact CD2-CB 4.19Å; A43-P301 HydrophobicContact CB-CG 3.85Å; E50-P301 VanDerWaalsContact OE1-N 3.14Å; S62-P301 WeakPolarHBondContact OG-CG 3.28Å; Q65-P301 HydrophobicContact CB-CB 4.11Å; Q65-P301 HydrophobicContact CG-CB 4.19Å; D299-P301 VanDerWaalsContact C-CD 3.43Å; D299-P301 VanDerWaalsContact O-CD 3.23Å; D299-P301 WeakPolarHBondContact O-CD 3.22Å; P301-L304 PolarHBondContact O-N 2.89Å; P301-R305 VanDerWaalsContact O-CB 3.27Å; P301-R305 WeakPolarHBondContact O-CB 3.35Å; P301-R305 PolarHBondContact O-N 2.95Å
302T98Very high93.9Very high54 Ų5433.2 Ų33.233%0.33118%0.182SC..Hα-helixtrans-64.2-43.4179.6-58.60000110.7E50 Q65 Y300 R305 H306E50-T302 VanDerWaalsContact CD-OG1 3.29Å; E50-T302 WeakPolarHBondContact OE1-CA 3.43Å; E50-T302 WeakPolarHBondContact OE1-CB 3.37Å; E50-T302 PolarHBondContact OE1-N 3.42Å; E50-T302 PolarHBondContact OE1-OG1 2.86Å; E50-T302 PolarHBondContact OE2-OG1 2.72Å; Q65-T302 VanDerWaalsContact CD-OG1 3.26Å; Q65-T302 WeakPolarHBondContact CG-OG1 3.43Å; Q65-T302 PolarHBondContact NE2-OG1 3.18Å; Y300-T302 VanDerWaalsContact C-N 3.26Å; Y300-T302 PolarHBondContact O-N 3.08Å; T302-R305 PolarHBondContact O-N 2.95Å; T302-H306 WeakPolarHBondContact O-CB 3.21Å; T302-H306 PolarHBondContact O-N 2.8Å
303A97.2Very high91.8Very high44 Ų4437.6 Ų37.636%0.36421%0.205SC..Hα-helixtrans-63.6-45.3177.800000111.6F285 Y300 H306 Y307F285-A303 HydrophobicContact CE2-CB 4.37Å; Y300-A303 WeakPolarHBondContact O-CB 3.23Å; Y300-A303 PolarHBondContact O-N 2.83Å; Y300-A303 VanDerWaalsContact O-N 3.11Å; A303-H306 PolarHBondContact O-N 3.29Å; A303-Y307 PolarHBondContact O-N 2.67Å
304L97.6Very high89.7Confident0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-66.9-39177.2-179.853.7000111.8L41 F285 F289 V296 T298 Y300 P301 H306 Y307 L308L41-L304 HydrophobicContact CB-CD2 4.19Å; L41-L304 HydrophobicContact CB-CG 4.48Å; L41-L304 HydrophobicContact CD1-CG 4.48Å; L41-L304 HydrophobicContact CD2-CD2 4.38Å; L41-L304 HydrophobicContact CG-CB 4.33Å; L41-L304 HydrophobicContact CG-CD2 3.75Å; L41-L304 HydrophobicContact CG-CG 3.93Å; F285-L304 HydrophobicContact CB-CD1 4.37Å; F285-L304 HydrophobicContact CD1-CD1 4.1Å; F285-L304 HydrophobicContact CD2-CD1 3.91Å; F285-L304 HydrophobicContact CE1-CB 4.4Å; F285-L304 HydrophobicContact CE1-CD1 4.29Å; F285-L304 HydrophobicContact CE2-CB 3.98Å; F285-L304 HydrophobicContact CE2-CD1 4.2Å; F285-L304 HydrophobicContact CG-CD1 3.88Å; F285-L304 HydrophobicContact CZ-CB 3.9Å; F285-L304 HydrophobicContact CZ-CD1 4.38Å; F289-L304 HydrophobicContact CE2-CD1 4.17Å; V296-L304 HydrophobicContact CB-CD1 4.31Å; V296-L304 HydrophobicContact CB-CD2 3.73Å; V296-L304 HydrophobicContact CG1-CD2 3.82Å; V296-L304 WeakPolarHBondContact O-CD2 3.46Å; T298-L304 HydrophobicContact CG2-CB 3.83Å; T298-L304 HydrophobicContact CG2-CD2 3.72Å; T298-L304 HydrophobicContact CG2-CG 4.44Å; Y300-L304 PolarHBondContact O-N 3.4Å; P301-L304 PolarHBondContact O-N 2.89Å; L304-H306 PolarHBondContact O-N 3.03Å; L304-Y307 HydrophobicContact CD1-CD1 4.09Å; L304-Y307 PolarHBondContact O-N 3.48Å; L304-L308 HydrophobicContact CD1-CD1 4.22Å; L304-L308 HydrophobicContact CD1-CG 4.05Å; L304-L308 HydrophobicContact CG-CD1 4.07Å; L304-L308 HydrophobicContact CG-CG 4.39Å; L304-L308 WeakPolarHBondContact O-CB 3.31Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.4Å
305R97.6Very high86.9Confident35 Ų3544.2 Ų44.213%0.13226%0.26CS..Hα-helixtrans-59.4-47.2174.9-178.361.9-95.8163.6-0.5111.6L41 Q65 R66 P301 T302 Y307 L308 D309L41-R305 HydrophobicContact CD1-CB 4.03Å; Q65-R305 HydrophobicContact CB-CB 4.13Å; Q65-R305 HydrophobicContact CB-CG 4.36Å; Q65-R305 WeakPolarHBondContact O-CD 3.27Å; Q65-R305 WeakPolarHBondContact O-CG 3.41Å; R66-R305 VanDerWaalsContact NH2-NE 3.13Å; P301-R305 VanDerWaalsContact O-CB 3.27Å; P301-R305 WeakPolarHBondContact O-CB 3.35Å; P301-R305 PolarHBondContact O-N 2.95Å; T302-R305 PolarHBondContact O-N 2.95Å; R305-Y307 PolarHBondContact O-N 2.65Å; R305-L308 PolarHBondContact O-N 2.83Å; R305-D309 IonicContact CZ-OD1 3.44Å; R305-D309 IonicContact CZ-OD2 3.67Å; R305-D309 VanDerWaalsContact NE-CG 3.29Å; R305-D309 IonicContact NE-OD1 3.81Å; R305-D309 PolarHBondContact NE-OD1 3.12Å; R305-D309 VanDerWaalsContact NE-OD1 3.09Å; R305-D309 IonicContact NE-OD2 3.22Å; R305-D309 PolarHBondContact NE-OD2 2.98Å; R305-D309 VanDerWaalsContact NE-OD2 3.1Å; R305-D309 IonicContact NH2-OD1 2.9Å; R305-D309 PolarHBondContact NH2-OD1 3.5Å; R305-D309 PolarHBondContact O-N 3.35Å
306H96.9Very high83.7Confident111 Ų11152.6 Ų52.651%0.51430%0.3SS..Hα-helixtrans-59.3-46176.6178.1-103.6000111.7T302 A303 L304 L308 D309 N310T302-H306 WeakPolarHBondContact O-CB 3.21Å; T302-H306 PolarHBondContact O-N 2.8Å; A303-H306 PolarHBondContact O-N 3.29Å; L304-H306 PolarHBondContact O-N 3.03Å; H306-L308 VanDerWaalsContact C-N 3.34Å; H306-L308 PolarHBondContact O-N 2.99Å; H306-D309 PolarHBondContact O-N 3Å; H306-N310 PolarHBondContact CE1-ND2 3.39Å; H306-N310 PolarHBondContact ND1-ND2 2.83Å; H306-N310 PolarHBondContact NE2-ND2 3.29Å; H306-N310 VanDerWaalsContact NE2-ND2 3.1Å; H306-N310 PolarHBondContact O-N 3.12Å; H306-N310 VanDerWaalsContact O-N 3.1Å; H306-N310 PolarHBondContact O-ND2 3.14Å
307Y96.4Very high80.5Confident6 Ų658.9 Ų58.92%0.02434%0.338CS..Hα-helixtrans-58.2-43.9174.5169-91.2000112.5E282 F285 E286 F289 A303 L304 R305 N310 R311E282-Y307 HydrophobicContact CG-CD2 3.51Å; E282-Y307 HydrophobicContact CG-CE2 4.01Å; E282-Y307 HydrophobicContact CG-CG 4.45Å; F285-Y307 HydrophobicContact CB-CD1 4.07Å; F285-Y307 HydrophobicContact CB-CD2 4.42Å; F285-Y307 HydrophobicContact CB-CE1 3.99Å; F285-Y307 HydrophobicContact CB-CE2 4.25Å; F285-Y307 HydrophobicContact CB-CG 4.28Å; F285-Y307 HydrophobicContact CD2-CD1 4.37Å; F285-Y307 HydrophobicContact CD2-CG 4.07Å; E286-Y307 PolarHBondContact OE2-OH 2.77Å; F289-Y307 AromaticContact CD2-CE1 3.51Å; F289-Y307 HydrophobicContact CD2-CE1 3.51Å; F289-Y307 HydrophobicContact CE2-CD1 4.31Å; F289-Y307 AromaticContact CE2-CE1 3.7Å; F289-Y307 HydrophobicContact CE2-CE1 3.7Å; A303-Y307 PolarHBondContact O-N 2.67Å; L304-Y307 HydrophobicContact CD1-CD1 4.09Å; L304-Y307 PolarHBondContact O-N 3.48Å; R305-Y307 PolarHBondContact O-N 2.65Å; Y307-N310 PolarHBondContact O-N 3.24Å; Y307-R311 VanDerWaalsContact CZ-CD 3.44Å; Y307-R311 PolarHBondContact O-N 3.05Å; Y307-R311 WeakPolarHBondContact OH-CD 3.26Å; Y307-R311 PolarHBondContact OH-NE 3.48Å
308L95.9Very high77.4Confident4 Ų467.5 Ų67.52%0.02140%0.399CS..Hα-helixtrans-68.7-34.9-179.9-69.1172.4000113R40 L41 F289 L304 R305 H306R40-L308 HydrophobicContact CB-CD1 4.35Å; L41-L308 HydrophobicContact CB-CD1 4.03Å; F289-L308 HydrophobicContact CE2-CD2 3.98Å; F289-L308 HydrophobicContact CZ-CD2 3.86Å; L304-L308 HydrophobicContact CD1-CD1 4.22Å; L304-L308 HydrophobicContact CD1-CG 4.05Å; L304-L308 HydrophobicContact CG-CD1 4.07Å; L304-L308 HydrophobicContact CG-CG 4.39Å; L304-L308 WeakPolarHBondContact O-CB 3.31Å; L304-L308 VanDerWaalsContact O-CG 3.23Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 3.4Å; R305-L308 PolarHBondContact O-N 2.83Å; H306-L308 VanDerWaalsContact C-N 3.34Å; H306-L308 PolarHBondContact O-N 2.99Å
309D94.9Very high76.3Confident78 Ų7870.9 Ų70.942%0.41742%0.419SS..Hα-helixtrans-68.8-41.3176.5-75.5-26.9000111.5R66 R305 H306 R311 G312R66-D309 IonicContact NH2-OD1 2.71Å; R66-D309 PolarHBondContact NH2-OD1 3.47Å; R66-D309 IonicContact NH2-OD2 2.85Å; R66-D309 PolarHBondContact NH2-OD2 3.43Å; R305-D309 IonicContact CZ-OD1 3.44Å; R305-D309 IonicContact CZ-OD2 3.67Å; R305-D309 VanDerWaalsContact NE-CG 3.29Å; R305-D309 IonicContact NE-OD1 3.81Å; R305-D309 PolarHBondContact NE-OD1 3.12Å; R305-D309 VanDerWaalsContact NE-OD1 3.09Å; R305-D309 IonicContact NE-OD2 3.22Å; R305-D309 PolarHBondContact NE-OD2 2.98Å; R305-D309 VanDerWaalsContact NE-OD2 3.1Å; R305-D309 IonicContact NH2-OD1 2.9Å; R305-D309 PolarHBondContact NH2-OD1 3.5Å; R305-D309 PolarHBondContact O-N 3.35Å; H306-D309 PolarHBondContact O-N 3Å; D309-R311 VanDerWaalsContact C-N 3.3Å; D309-R311 PolarHBondContact O-N 3.45Å; D309-G312 PolarHBondContact O-N 3.34Å
310N91.4Very high75.2Confident108 Ų10874.6 Ų74.658%0.57844%0.441SS*.Hα-helixtrans-70.9-21-176.6-71-20.1000114.4H306 Y307H306-N310 PolarHBondContact CE1-ND2 3.39Å; H306-N310 PolarHBondContact ND1-ND2 2.83Å; H306-N310 PolarHBondContact NE2-ND2 3.29Å; H306-N310 VanDerWaalsContact NE2-ND2 3.1Å; H306-N310 PolarHBondContact O-N 3.12Å; H306-N310 VanDerWaalsContact O-N 3.1Å; H306-N310 PolarHBondContact O-ND2 3.14Å; Y307-N310 PolarHBondContact O-N 3.24Å
311R78.9Confident74Confident129 Ų12976.2 Ų76.249%0.48746%0.455SS..THydrogen-bonded Turntrans-93.10.3-179.9-70.9-171.9170.2-128.91.8114.5E286 Y307 D309E286-R311 IonicContact OE1-CZ 2.73Å; E286-R311 IonicContact OE1-NH1 3.09Å; E286-R311 PolarHBondContact OE1-NH1 3.14Å; E286-R311 IonicContact OE1-NH2 2.61Å; E286-R311 PolarHBondContact OE1-NH2 3.43Å; E286-R311 VanDerWaalsContact OE1-NH2 3.1Å; E286-R311 IonicContact OE2-CZ 2.86Å; E286-R311 IonicContact OE2-NE 3.52Å; E286-R311 IonicContact OE2-NH1 3.15Å; E286-R311 PolarHBondContact OE2-NH1 3.24Å; E286-R311 IonicContact OE2-NH2 3.02Å; E286-R311 PolarHBondContact OE2-NH2 2.92Å; Y307-R311 VanDerWaalsContact CZ-CD 3.44Å; Y307-R311 PolarHBondContact O-N 3.05Å; Y307-R311 WeakPolarHBondContact OH-CD 3.26Å; Y307-R311 PolarHBondContact OH-NE 3.48Å; D309-R311 VanDerWaalsContact C-N 3.3Å; D309-R311 PolarHBondContact O-N 3.45Å
312G56.2Low72.5Confident31 Ų3180.6 Ų80.632%0.3248%0.482SS..  trans63.3173-174.300000112.8D309 A314D309-G312 PolarHBondContact O-N 3.34Å; G312-A314 PolarHBondContact O-N 2.08Å
313P51.1Low71Confident123 Ų12382.3 Ų82.380%0.79949%0.491SS*.SBendtrans-61.9113.8169.525-29.8000108A315P313-A315 PolarHBondContact O-N 3.33Å; P313-A315 VanDerWaalsContact O-N 3.1Å
314A51.4Low69.2Low66 Ų6684.9 Ų84.955%0.54550%0.5SS..  trans-46.6123172.700000108.2G312 Q316G312-A314 PolarHBondContact O-N 2.08Å; A314-Q316 PolarHBondContact O-N 2.85Å
315A36.2Very low67.2Low88 Ų8890.9 Ų90.973%0.72754%0.535SS*.  trans-47.4111.6177.100000108P313 T317P313-A315 PolarHBondContact O-N 3.33Å; P313-A315 VanDerWaalsContact O-N 3.1Å; A315-T317 PolarHBondContact O-N 3.22Å
316Q31.4Very low64.8Low176 Ų17695.2 Ų95.282%0.82257%0.566SS**  trans-64.193.5168.4-67.2-178.57.800105.2A314 S318A314-Q316 PolarHBondContact O-N 2.85Å; Q316-S318 PolarHBondContact O-N 2.95Å
317T31Very low62.2Low132 Ų13293.9 Ų93.981%0.8157%0.571SS**  trans-68.6105.2172.9440000107.1A315A315-T317 PolarHBondContact O-N 3.22Å
318S31.1Very low59.1Low186 Ų186101.9 Ų101.9100%1.30162%0.621SS**  trans-41.80160.4560000113.4Q316Q316-S318 PolarHBondContact O-N 2.95Å

Retrieved 318 of 318 residues in 576.7 ms (Link to these results)

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