G4LUH2_SCHMA Loading...

Lysophosphatidylserine lipase ABHD12

AlphaFold DB , UniProt , Accession G4LUH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M75.1Confident87Confident176 Ų176115.7 Ų115.787%0.86759%0.588SS**  0-54.10-157.3169.370.100112.5L3 L4 W5M1-L3 PolarHBondContact O-N 3.43Å; M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-W5 PolarHBondContact O-N 3.04Å
2I84.7Confident87.3Confident137 Ų137115.8 Ų115.870%0.70358%0.584SS**Hα-helixtrans-55.2-47.6-179.7-62.5169.5000112.9L4 W5 V6I2-L4 VanDerWaalsContact C-N 3.27Å; I2-L4 PolarHBondContact O-N 3.43Å; I2-W5 PolarHBondContact O-N 3.14Å; I2-W5 VanDerWaalsContact O-N 3.13Å; I2-V6 HydrophobicContact CG2-CG2 4.2Å; I2-V6 WeakPolarHBondContact O-CG2 3.49Å; I2-V6 PolarHBondContact O-N 3.05Å
3L81.9Confident87.6Confident154 Ų154112.3 Ų112.381%0.80657%0.567SS**Hα-helixtrans-55.8-38.7177.3-80151.8000113.2M1 S7M1-L3 PolarHBondContact O-N 3.43Å; L3-S7 WeakPolarHBondContact O-CB 3.19Å; L3-S7 PolarHBondContact O-N 3.26Å; L3-S7 PolarHBondContact O-OG 3.41Å
4L85.9Confident87.6Confident127 Ų127108.4 Ų108.467%0.66556%0.561SS**Hα-helixtrans-67.4-45.1177.2-70.6170000111.1M1 I2 V6 S7 A8M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-L4 VanDerWaalsContact O-N 3.12Å; I2-L4 VanDerWaalsContact C-N 3.27Å; I2-L4 PolarHBondContact O-N 3.43Å; L4-V6 PolarHBondContact O-N 2.61Å; L4-S7 WeakPolarHBondContact CA-OG 3.28Å; L4-S7 PolarHBondContact O-N 2.71Å; L4-S7 PolarHBondContact O-OG 2.92Å; L4-A8 WeakPolarHBondContact O-CB 3.03Å; L4-A8 PolarHBondContact O-N 3.33Å
5W88Confident87.6Confident181 Ų181107.4 Ų107.469%0.68656%0.556SS**Hα-helixtrans-61.4-42.7175.7-73.3108.7000112.6M1 I2 A8 F9M1-W5 PolarHBondContact O-N 3.04Å; I2-W5 PolarHBondContact O-N 3.14Å; I2-W5 VanDerWaalsContact O-N 3.13Å; W5-A8 PolarHBondContact O-N 2.94Å; W5-F9 VanDerWaalsContact O-CB 3.31Å; W5-F9 WeakPolarHBondContact O-CB 2.97Å; W5-F9 PolarHBondContact O-N 3.4Å
6V88.8Confident87.8Confident76 Ų76107.4 Ų107.446%0.46156%0.556SS.*Hα-helixtrans-62.5-46.2175.4174.20000110.4I2 L4 A8 F9 L10I2-V6 HydrophobicContact CG2-CG2 4.2Å; I2-V6 WeakPolarHBondContact O-CG2 3.49Å; I2-V6 PolarHBondContact O-N 3.05Å; L4-V6 PolarHBondContact O-N 2.61Å; V6-A8 PolarHBondContact O-N 3.41Å; V6-F9 PolarHBondContact O-N 2.69Å; V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 HydrophobicContact CG1-CG 4.45Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 2.88Å
7S89.1Confident87.7Confident54 Ų54106.5 Ų106.538%0.37855%0.552SS.*Hα-helixtrans-61.7-44.2178.272.50000112.4L3 L4 L10 I11L3-S7 WeakPolarHBondContact O-CB 3.19Å; L3-S7 PolarHBondContact O-N 3.26Å; L3-S7 PolarHBondContact O-OG 3.41Å; L4-S7 WeakPolarHBondContact CA-OG 3.28Å; L4-S7 PolarHBondContact O-N 2.71Å; L4-S7 PolarHBondContact O-OG 2.92Å; S7-L10 PolarHBondContact O-N 3.48Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.25Å; S7-I11 PolarHBondContact O-N 3.46Å
8A90.3Very high87.7Confident34 Ų34103.2 Ų103.228%0.28153%0.531SS..Hα-helixtrans-62.3-47.3176.500000110.5L4 W5 V6 L10 I11 H12L4-A8 WeakPolarHBondContact O-CB 3.03Å; L4-A8 PolarHBondContact O-N 3.33Å; W5-A8 PolarHBondContact O-N 2.94Å; V6-A8 PolarHBondContact O-N 3.41Å; A8-L10 VanDerWaalsContact C-N 3.34Å; A8-L10 PolarHBondContact O-N 3.02Å; A8-I11 PolarHBondContact O-N 3.28Å; A8-H12 PolarHBondContact O-N 2.97Å; A8-H12 PolarHBondContact O-ND1 3.26Å
9F92.2Very high87.7Confident135 Ų135102.7 Ų102.759%0.59253%0.528SS*.Hα-helixtrans-56.9-45.7177.4176.4-99.2000112.2W5 V6 I11 H12 L13W5-F9 VanDerWaalsContact O-CB 3.31Å; W5-F9 WeakPolarHBondContact O-CB 2.97Å; W5-F9 PolarHBondContact O-N 3.4Å; V6-F9 PolarHBondContact O-N 2.69Å; F9-I11 PolarHBondContact O-N 2.76Å; F9-H12 PolarHBondContact O-N 3.17Å; F9-L13 HydrophobicContact CE1-CD2 4.33Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 PolarHBondContact O-N 3.07Å
10L91.4Very high87.9Confident98 Ų9898.9 Ų98.951%0.51351%0.513SS..Hα-helixtrans-63.2-40.4177.9-69.1175.1000112.4V6 S7 A8 L13 A14V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 HydrophobicContact CG1-CG 4.45Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 2.88Å; S7-L10 PolarHBondContact O-N 3.48Å; A8-L10 VanDerWaalsContact C-N 3.34Å; A8-L10 PolarHBondContact O-N 3.02Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-A14 WeakPolarHBondContact O-CB 3.36Å; L10-A14 PolarHBondContact O-N 2.8Å
11I90.2Very high88Confident101 Ų10196.3 Ų96.352%0.51850%0.5SS..Hα-helixtrans-63.6-46.8175.6-68.1164.8000110.7S7 A8 F9 L13 A14 L15S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.25Å; S7-I11 PolarHBondContact O-N 3.46Å; A8-I11 PolarHBondContact O-N 3.28Å; F9-I11 PolarHBondContact O-N 2.76Å; I11-L13 PolarHBondContact O-N 2.66Å; I11-A14 PolarHBondContact O-N 3.14Å; I11-L15 HydrophobicContact CG2-CD1 4.11Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.08Å
12H90.1Very high88.8Confident117 Ų11788.3 Ų88.354%0.54246%0.461SS..Hα-helixtrans-63.2-42.9178.4-72.580.4000111.5A8 F9 A14 L15 I16A8-H12 PolarHBondContact O-N 2.97Å; A8-H12 PolarHBondContact O-ND1 3.26Å; F9-H12 PolarHBondContact O-N 3.17Å; H12-A14 VanDerWaalsContact C-N 3.35Å; H12-A14 PolarHBondContact O-N 2.82Å; H12-L15 PolarHBondContact O-N 3.19Å; H12-I16 VanDerWaalsContact O-CG1 3.28Å; H12-I16 WeakPolarHBondContact O-CG1 3.3Å; H12-I16 PolarHBondContact O-N 3.05Å
13L91.1Very high89.1Confident70 Ų7086.3 Ų86.337%0.36645%0.451SS..Hα-helixtrans-60.5-45175.4-179.861.5000111.3F9 L10 I11 L15 I16 L17F9-L13 HydrophobicContact CE1-CD2 4.33Å; F9-L13 WeakPolarHBondContact O-CB 3.34Å; F9-L13 PolarHBondContact O-N 3.07Å; L10-L13 PolarHBondContact O-N 3.48Å; I11-L13 PolarHBondContact O-N 2.66Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.75Å; L13-I16 PolarHBondContact O-N 3.26Å; L13-L17 HydrophobicContact CD1-CD1 4.29Å; L13-L17 HydrophobicContact CD1-CG 4.27Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 2.91Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 2.95Å; L13-L17 PolarHBondContact O-N 3.39Å
14A87.3Confident89.5Confident57 Ų5780.7 Ų80.747%0.47142%0.421SS..Hα-helixtrans-60.8-42.7176.500000111.8L10 I11 H12 L17 Y18L10-A14 WeakPolarHBondContact O-CB 3.36Å; L10-A14 PolarHBondContact O-N 2.8Å; I11-A14 PolarHBondContact O-N 3.14Å; H12-A14 VanDerWaalsContact C-N 3.35Å; H12-A14 PolarHBondContact O-N 2.82Å; A14-L17 PolarHBondContact O-N 2.61Å; A14-Y18 WeakPolarHBondContact O-CB 3.33Å; A14-Y18 PolarHBondContact O-N 3.25Å
15L88.3Confident89.7Confident94 Ų9475 Ų7549%0.49239%0.391SS..Hα-helixtrans-64.2-42.4175.9-71.6170.6000112.5I11 H12 L13 Y18 I19I11-L15 HydrophobicContact CG2-CD1 4.11Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.08Å; H12-L15 PolarHBondContact O-N 3.19Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 2.75Å; L15-Y18 WeakPolarHBondContact O-CB 3.44Å; L15-Y18 PolarHBondContact O-N 2.8Å; L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 3.33Å
16I89.8Confident89.8Confident108 Ų10869.4 Ų69.455%0.55437%0.373SS*.Hα-helixtrans-61.9-49.9176.5-69.9165.1000110.1H12 L13 Y18 I19 A20H12-I16 VanDerWaalsContact O-CG1 3.28Å; H12-I16 WeakPolarHBondContact O-CG1 3.3Å; H12-I16 PolarHBondContact O-N 3.05Å; L13-I16 PolarHBondContact O-N 3.26Å; I16-Y18 PolarHBondContact O-N 2.96Å; I16-I19 PolarHBondContact O-N 3.13Å; I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 2.68Å
17L87.6Confident90Very high92 Ų9273.3 Ų73.348%0.48238%0.384SS..Hα-helixtrans-60.9-37.7177.1-69.5174.6000111.5L13 A14 A20 L21 I24L13-L17 HydrophobicContact CD1-CD1 4.29Å; L13-L17 HydrophobicContact CD1-CG 4.27Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 WeakPolarHBondContact O-CB 2.91Å; L13-L17 VanDerWaalsContact O-CG 3.31Å; L13-L17 WeakPolarHBondContact O-CG 2.95Å; L13-L17 PolarHBondContact O-N 3.39Å; A14-L17 PolarHBondContact O-N 2.61Å; L17-A20 PolarHBondContact O-N 3.31Å; L17-L21 PolarHBondContact O-N 3.49Å; L17-L21 VanDerWaalsContact O-N 3.09Å; L17-I24 HydrophobicContact CD2-CD1 4.11Å
18Y86.7Confident90.1Very high47 Ų4776.4 Ų76.418%0.18439%0.391CS..Hα-helixtrans-64.3-49.2177.5-169.4-103.7000111.9A14 L15 I16 A20 L21 F235 M236 P238 Y239A14-Y18 WeakPolarHBondContact O-CB 3.33Å; A14-Y18 PolarHBondContact O-N 3.25Å; L15-Y18 WeakPolarHBondContact O-CB 3.44Å; L15-Y18 PolarHBondContact O-N 2.8Å; I16-Y18 PolarHBondContact O-N 2.96Å; Y18-A20 VanDerWaalsContact C-N 3.32Å; Y18-L21 VanDerWaalsContact O-CB 3.26Å; Y18-L21 WeakPolarHBondContact O-CB 3.45Å; Y18-L21 PolarHBondContact O-N 3.26Å; Y18-F235 HydrophobicContact CE2-CD2 4.5Å; Y18-F235 WeakPolarHBondContact CE2-O 3.41Å; Y18-F235 PolarHBondContact OH-O 3.28Å; Y18-M236 HydrophobicContact CE2-SD 4.44Å; Y18-P238 HydrophobicContact CE1-CB 3.98Å; Y18-P238 WeakPolarHBondContact OH-CB 3.43Å; Y18-P238 VanDerWaalsContact OH-CD 3.22Å; Y18-P238 WeakPolarHBondContact OH-CD 3.09Å; Y18-P238 WeakPolarHBondContact OH-CG 3.49Å; Y18-Y239 HydrophobicContact CD1-CD2 4.04Å; Y18-Y239 AromaticContact CD1-CE2 3.54Å; Y18-Y239 HydrophobicContact CD1-CE2 3.54Å; Y18-Y239 HydrophobicContact CD2-CE2 4.06Å; Y18-Y239 AromaticContact CE1-CD2 3.26Å; Y18-Y239 HydrophobicContact CE1-CD2 3.26Å; Y18-Y239 AromaticContact CE1-CE2 3.26Å; Y18-Y239 HydrophobicContact CE1-CE2 3.26Å; Y18-Y239 HydrophobicContact CE1-CG 4.46Å; Y18-Y239 AromaticContact CE2-CD2 3.86Å; Y18-Y239 HydrophobicContact CE2-CD2 3.86Å; Y18-Y239 AromaticContact CE2-CE2 3.82Å; Y18-Y239 HydrophobicContact CE2-CE2 3.82Å; Y18-Y239 AromaticContact CG-CE2 3.96Å; Y18-Y239 HydrophobicContact CG-CE2 3.96Å; Y18-Y239 AromaticContact CZ-CD2 3.2Å; Y18-Y239 AromaticContact CZ-CE2 3.47Å; Y18-Y239 VanDerWaalsContact CZ-CE2 3.47Å; Y18-Y239 WeakPolarHBondContact O-CE2 3.47Å; Y18-Y239 PolarHBondContact O-OH 3.41Å; Y18-Y239 VanDerWaalsContact OH-CD2 3.31Å; Y18-Y239 WeakPolarHBondContact OH-CD2 3.36Å; Y18-Y239 PolarHBondContact OH-N 3.15Å
19I88.8Confident90.1Very high93 Ų9376.7 Ų76.748%0.47739%0.39SS..Hα-helixtrans-67.4-35.3177.4-66.5167.2000111.1L15 I16 L21 P22 L245L15-I19 WeakPolarHBondContact O-CG1 3.41Å; L15-I19 PolarHBondContact O-N 3.33Å; I16-I19 PolarHBondContact O-N 3.13Å; I19-L21 PolarHBondContact O-N 3.35Å; I19-P22 WeakPolarHBondContact O-CD 3.23Å; I19-L245 HydrophobicContact CG1-CD1 4.42Å; I19-L245 HydrophobicContact CG2-CD1 4.48Å; I19-L245 HydrophobicContact CG2-CD2 4.37Å
20A91Very high89.9Confident26 Ų2673.6 Ų73.622%0.21539%0.389CS..THydrogen-bonded Turntrans-76.2-5.1178.800000113.6I16 L17 Y18 L23 I24I16-A20 WeakPolarHBondContact O-CB 3.49Å; I16-A20 PolarHBondContact O-N 2.68Å; L17-A20 PolarHBondContact O-N 3.31Å; Y18-A20 VanDerWaalsContact C-N 3.32Å; A20-L23 CarbonylContact O-C 3.57Å; A20-L23 WeakPolarHBondContact O-CA 3.47Å; A20-L23 WeakPolarHBondContact O-CB 3.4Å; A20-L23 PolarHBondContact O-N 3.12Å; A20-I24 HydrophobicContact CB-CD1 4.17Å; A20-I24 HydrophobicContact CB-CG1 4.34Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.38Å
21L90.5Very high89.7Confident46 Ų4674.5 Ų74.524%0.24139%0.389CS..Hα-helixtrans-50.1-46-175179.366.5000113.9L17 Y18 I19 L23 I24 V25 M236 Y239 L249L17-L21 PolarHBondContact O-N 3.49Å; L17-L21 VanDerWaalsContact O-N 3.09Å; Y18-L21 VanDerWaalsContact O-CB 3.26Å; Y18-L21 WeakPolarHBondContact O-CB 3.45Å; Y18-L21 PolarHBondContact O-N 3.26Å; I19-L21 PolarHBondContact O-N 3.35Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.83Å; L21-I24 WeakPolarHBondContact O-CB 3.44Å; L21-I24 PolarHBondContact O-N 2.94Å; L21-I24 VanDerWaalsContact O-N 3.17Å; L21-V25 HydrophobicContact CD1-CG2 4.41Å; L21-V25 WeakPolarHBondContact O-CG2 3.16Å; L21-V25 PolarHBondContact O-N 3.46Å; L21-M236 HydrophobicContact CD2-CE 4.18Å; L21-M236 HydrophobicContact CD2-SD 4.13Å; L21-Y239 HydrophobicContact CD2-CE2 4.47Å; L21-L249 HydrophobicContact CD2-CD1 4.39Å; L21-L249 HydrophobicContact CD2-CD2 4.44Å; L21-L249 HydrophobicContact CG-CD1 4.27Å
22P90.5Very high89.5Confident7 Ų770 Ų705%0.04537%0.367CS..Hα-helixtrans-60.9-39.3176.6-24.135.5000113I19 V25 E26 Y239 R248 L249 A252I19-P22 WeakPolarHBondContact O-CD 3.23Å; P22-V25 PolarHBondContact O-N 3.09Å; P22-E26 PolarHBondContact O-N 3.49Å; P22-Y239 WeakPolarHBondContact CD-OH 3.49Å; P22-Y239 HydrophobicContact CG-CE1 4.48Å; P22-R248 HydrophobicContact CB-CB 3.82Å; P22-R248 HydrophobicContact CG-CB 3.91Å; P22-L249 HydrophobicContact CG-CB 4.16Å; P22-A252 HydrophobicContact CB-CB 4.25Å; P22-A252 VanDerWaalsContact O-CB 3.32Å; P22-A252 WeakPolarHBondContact O-CB 3.39Å
23L91.7Very high89.3Confident95 Ų9567.8 Ų67.850%0.49735%0.354SS..Hα-helixtrans-69.4-36.4176.4-64.9173.6000111.4A20 L21 V25 E26 K27A20-L23 CarbonylContact O-C 3.57Å; A20-L23 WeakPolarHBondContact O-CA 3.47Å; A20-L23 WeakPolarHBondContact O-CB 3.4Å; A20-L23 PolarHBondContact O-N 3.12Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L21-L23 PolarHBondContact O-N 2.83Å; L23-V25 VanDerWaalsContact C-N 3.31Å; L23-E26 PolarHBondContact O-N 3.4Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.43Å; L23-K27 PolarHBondContact O-N 3.23Å
24I91.1Very high89Confident37 Ų3772.2 Ų72.219%0.1937%0.366CS..Hα-helixtrans-63.4-41.9174-66.3168.8000109.6L17 A20 L21 K27 F28 F31L17-I24 HydrophobicContact CD2-CD1 4.11Å; A20-I24 HydrophobicContact CB-CD1 4.17Å; A20-I24 HydrophobicContact CB-CG1 4.34Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.38Å; L21-I24 WeakPolarHBondContact O-CB 3.44Å; L21-I24 PolarHBondContact O-N 2.94Å; L21-I24 VanDerWaalsContact O-N 3.17Å; I24-K27 PolarHBondContact O-N 2.91Å; I24-F28 HydrophobicContact CG2-CD2 4.1Å; I24-F28 WeakPolarHBondContact O-CA 3.32Å; I24-F28 WeakPolarHBondContact O-CB 3.44Å; I24-F28 PolarHBondContact O-N 3.41Å; I24-F31 HydrophobicContact CG2-CD1 4.5Å
25V90.1Very high88.9Confident6 Ų674.5 Ų74.54%0.03637%0.369CS..Hα-helixtrans-59.5-50.4176172.50000111.5L21 P22 L23 C32 L249 A252 M253 V256L21-V25 HydrophobicContact CD1-CG2 4.41Å; L21-V25 WeakPolarHBondContact O-CG2 3.16Å; L21-V25 PolarHBondContact O-N 3.46Å; P22-V25 PolarHBondContact O-N 3.09Å; L23-V25 VanDerWaalsContact C-N 3.31Å; V25-C32 WeakPolarHBondContact CA-SG 3.45Å; V25-L249 HydrophobicContact CG2-CD1 4.03Å; V25-A252 HydrophobicContact CB-CB 3.97Å; V25-A252 HydrophobicContact CG1-CB 3.83Å; V25-M253 HydrophobicContact CG1-SD 3.85Å; V25-M253 HydrophobicContact CG2-SD 4.45Å; V25-V256 HydrophobicContact CG1-CG1 4.24Å; V25-V256 HydrophobicContact CG1-CG2 3.83Å; V25-V256 WeakPolarHBondContact O-CG1 3.3Å
26E90.3Very high88.8Confident65 Ų6571 Ų7130%0.30435%0.352SS..Hα-helixtrans-63.1-44.6178.3-85.1177.9173.900113.4P22 L23 A252 K255P22-E26 PolarHBondContact O-N 3.49Å; L23-E26 PolarHBondContact O-N 3.4Å; E26-A252 HydrophobicContact CG-CB 3.82Å; E26-K255 HydrophobicContact CG-CD 4.18Å; E26-K255 WeakPolarHBondContact OE1-CD 3.44Å; E26-K255 VanDerWaalsContact OE1-CE 3.29Å; E26-K255 WeakPolarHBondContact OE1-CE 3.45Å; E26-K255 IonicContact OE1-NZ 2.65Å; E26-K255 PolarHBondContact OE1-NZ 3.25Å
27K92.5Very high88.9Confident158 Ų15866 Ų6669%0.68733%0.326SS*.Hα-helixtrans-80.9-26.2-174.4-69.9-164.3176.8-160.90113.7L23 I24 P29L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 WeakPolarHBondContact O-CG 3.43Å; L23-K27 PolarHBondContact O-N 3.23Å; I24-K27 PolarHBondContact O-N 2.91Å; K27-P29 WeakPolarHBondContact O-CD 3.35Å
28F91.8Very high88.8Confident118 Ų11867.2 Ų67.252%0.51833%0.328SS..  trans-12661.7-177-54.1-80.3000111.4I24 A30 F31 C32I24-F28 HydrophobicContact CG2-CD2 4.1Å; I24-F28 WeakPolarHBondContact O-CA 3.32Å; I24-F28 WeakPolarHBondContact O-CB 3.44Å; I24-F28 PolarHBondContact O-N 3.41Å; F28-A30 VanDerWaalsContact C-N 3.28Å; F28-A30 PolarHBondContact O-N 3.46Å; F28-F31 HydrophobicContact CB-CB 4Å; F28-F31 WeakPolarHBondContact O-CB 3.16Å; F28-F31 PolarHBondContact O-N 2.92Å; F28-F31 VanDerWaalsContact O-N 3.1Å; F28-C32 PolarHBondContact O-N 2.59Å; F28-C32 VanDerWaalsContact O-N 3.17Å
29P89.5Confident88.5Confident40 Ų4067 Ų6726%0.2633%0.331SS..Hα-helixtrans-59.8-38.3-177.723-33.4000112.1K27 F31 C32 R33 V256K27-P29 WeakPolarHBondContact O-CD 3.35Å; P29-F31 VanDerWaalsContact C-N 3.31Å; P29-F31 PolarHBondContact O-N 3.06Å; P29-C32 PolarHBondContact O-N 2.98Å; P29-R33 WeakPolarHBondContact O-CB 3.44Å; P29-R33 WeakPolarHBondContact O-CD 3.34Å; P29-R33 WeakPolarHBondContact O-CG 3.44Å; P29-R33 PolarHBondContact O-N 2.99Å; P29-V256 HydrophobicContact CB-CB 4.2Å; P29-V256 HydrophobicContact CB-CG1 3.86Å
30A87.7Confident87.3Confident71 Ų7171.8 Ų71.859%0.58734%0.343SS*.Hα-helixtrans-58.3-40.9176.400000112.9F28 R34F28-A30 VanDerWaalsContact C-N 3.28Å; F28-A30 PolarHBondContact O-N 3.46Å; A30-R34 PolarHBondContact O-N 2.88Å
31F86.4Confident85.6Confident116 Ų11672.7 Ų72.751%0.50935%0.348SS..Hα-helixtrans-65.9-44.4176.3175.8-106.1000111I24 F28 P29 R33 R34 L35I24-F31 HydrophobicContact CG2-CD1 4.5Å; F28-F31 HydrophobicContact CB-CB 4Å; F28-F31 WeakPolarHBondContact O-CB 3.16Å; F28-F31 PolarHBondContact O-N 2.92Å; F28-F31 VanDerWaalsContact O-N 3.1Å; P29-F31 VanDerWaalsContact C-N 3.31Å; P29-F31 PolarHBondContact O-N 3.06Å; F31-R33 PolarHBondContact O-N 3.44Å; F31-R34 WeakPolarHBondContact O-CB 3.46Å; F31-R34 PolarHBondContact O-N 3.46Å; F31-L35 HydrophobicContact CD1-CD1 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.54Å; F31-L35 HydrophobicContact CE1-CG 4.32Å; F31-L35 HydrophobicContact CZ-CD1 3.84Å; F31-L35 HydrophobicContact CZ-CD2 4.45Å; F31-L35 HydrophobicContact CZ-CG 4.3Å; F31-L35 PolarHBondContact O-N 3.24Å
32C86.2Confident83.7Confident8 Ų872.3 Ų72.35%0.05436%0.355CS..Hα-helixtrans-66.7-39.4180-640000112.5V25 F28 P29 R34 L35 V36V25-C32 WeakPolarHBondContact CA-SG 3.45Å; F28-C32 PolarHBondContact O-N 2.59Å; F28-C32 VanDerWaalsContact O-N 3.17Å; P29-C32 PolarHBondContact O-N 2.98Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.46Å; C32-L35 WeakPolarHBondContact O-CB 3.38Å; C32-L35 PolarHBondContact O-N 2.84Å; C32-V36 WeakPolarHBondContact O-CG2 3.44Å; C32-V36 PolarHBondContact O-N 2.98Å
33R87.2Confident81.6Confident69 Ų6978.5 Ų78.526%0.2640%0.395SS..Hα-helixtrans-57.1-41.8172.5-70.6161.1-173.1-166.4-6.3111.6P29 F31 L35 V36 F37 T157 L258P29-R33 WeakPolarHBondContact O-CB 3.44Å; P29-R33 WeakPolarHBondContact O-CD 3.34Å; P29-R33 WeakPolarHBondContact O-CG 3.44Å; P29-R33 PolarHBondContact O-N 2.99Å; F31-R33 PolarHBondContact O-N 3.44Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 PolarHBondContact O-N 3.43Å; R33-V36 PolarHBondContact O-N 3.21Å; R33-F37 HydrophobicContact CB-CD2 4.39Å; R33-F37 WeakPolarHBondContact O-CA 3.45Å; R33-F37 WeakPolarHBondContact O-CB 3.47Å; R33-F37 PolarHBondContact O-N 2.93Å; R33-T157 WeakPolarHBondContact CD-O 3.46Å; R33-T157 PolarHBondContact NE-O 2.85Å; R33-T157 VanDerWaalsContact NH1-CB 3.26Å; R33-T157 PolarHBondContact NH2-O 3.23Å; R33-L258 HydrophobicContact CG-CD1 4.13Å
34R84.4Confident79.7Confident163 Ų16379.2 Ų79.262%0.61541%0.408SS*.Hα-helixtrans-67.3-28.1176.9-174.5173.6177.4164.8-3.4113.3A30 F31 C32A30-R34 PolarHBondContact O-N 2.88Å; F31-R34 WeakPolarHBondContact O-CB 3.46Å; F31-R34 PolarHBondContact O-N 3.46Å; C32-R34 VanDerWaalsContact C-N 3.28Å; C32-R34 PolarHBondContact O-N 3.46Å
35L84.1Confident78.2Confident105 Ų10580.6 Ų80.655%0.5541%0.413SS..Hα-helixtrans-77.4-39.3174.2-66.8179.4000111.9F31 C32 R33F31-L35 HydrophobicContact CD1-CD1 4.12Å; F31-L35 HydrophobicContact CE1-CD1 3.54Å; F31-L35 HydrophobicContact CE1-CG 4.32Å; F31-L35 HydrophobicContact CZ-CD1 3.84Å; F31-L35 HydrophobicContact CZ-CD2 4.45Å; F31-L35 HydrophobicContact CZ-CG 4.3Å; F31-L35 PolarHBondContact O-N 3.24Å; C32-L35 WeakPolarHBondContact O-CB 3.38Å; C32-L35 PolarHBondContact O-N 2.84Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 PolarHBondContact O-N 3.43Å
36V88.1Confident77.2Confident20 Ų2083.2 Ų83.212%0.12143%0.432CS..Hα-helixtrans-74-58.5178.8172.70000110.5C32 R33 K38 N118 L226 M253 L258C32-V36 WeakPolarHBondContact O-CG2 3.44Å; C32-V36 PolarHBondContact O-N 2.98Å; R33-V36 PolarHBondContact O-N 3.21Å; V36-K38 PolarHBondContact O-N 3.27Å; V36-N118 VanDerWaalsContact O-CG 3.26Å; V36-N118 PolarHBondContact O-ND2 3.14Å; V36-N118 PolarHBondContact O-OD1 3.01Å; V36-L226 HydrophobicContact CG1-CD2 3.62Å; V36-L226 HydrophobicContact CG2-CD2 4.1Å; V36-M253 HydrophobicContact CG2-CE 4.28Å; V36-L258 HydrophobicContact CB-CD1 4.46Å; V36-L258 HydrophobicContact CG1-CD2 4.3Å; V36-L258 HydrophobicContact CG2-CD1 4.16Å
37F90.1Very high76.7Confident5 Ų584.5 Ų84.52%0.02245%0.448CS..  trans-89.2105.9179-56.1-57.3000110.7R33 T39 L156 L189 L258 F260R33-F37 HydrophobicContact CB-CD2 4.39Å; R33-F37 WeakPolarHBondContact O-CA 3.45Å; R33-F37 WeakPolarHBondContact O-CB 3.47Å; R33-F37 PolarHBondContact O-N 2.93Å; F37-T39 HydrophobicContact CB-CG2 4.03Å; F37-T39 PolarHBondContact O-N 3.42Å; F37-L156 HydrophobicContact CB-CD1 4.25Å; F37-L156 HydrophobicContact CD1-CD1 3.82Å; F37-L156 HydrophobicContact CD2-CB 3.66Å; F37-L156 HydrophobicContact CD2-CD1 4.09Å; F37-L156 HydrophobicContact CE1-CD1 4.11Å; F37-L156 HydrophobicContact CE2-CB 3.8Å; F37-L156 HydrophobicContact CE2-CD1 4.35Å; F37-L156 HydrophobicContact CG-CB 4.2Å; F37-L156 HydrophobicContact CG-CD1 3.8Å; F37-L156 HydrophobicContact CZ-CB 4.46Å; F37-L156 HydrophobicContact CZ-CD1 4.36Å; F37-L189 HydrophobicContact CD1-CD2 4.02Å; F37-L189 HydrophobicContact CE1-CD2 3.99Å; F37-L258 HydrophobicContact CD2-CD2 4.45Å; F37-L258 HydrophobicContact CE2-CD2 3.48Å; F37-L258 VanDerWaalsContact CE2-CD2 3.48Å; F37-L258 HydrophobicContact CZ-CD2 3.58Å; F37-F260 AromaticContact CE1-CE2 3.95Å; F37-F260 HydrophobicContact CE1-CE2 3.95Å; F37-F260 AromaticContact CE1-CZ 3.75Å; F37-F260 HydrophobicContact CE1-CZ 3.75Å; F37-F260 AromaticContact CZ-CE2 3.91Å; F37-F260 HydrophobicContact CZ-CE2 3.91Å; F37-F260 AromaticContact CZ-CZ 3.78Å; F37-F260 HydrophobicContact CZ-CZ 3.78Å
38K85.6Confident76.2Confident117 Ų11785.4 Ų85.451%0.50945%0.447SS..  trans-88.358.5179.1-65.3-178.6179.7179.80110.3V36 R40 N118 S119V36-K38 PolarHBondContact O-N 3.27Å; K38-R40 PolarHBondContact O-N 3.4Å; K38-N118 PolarHBondContact N-OD1 3.49Å; K38-S119 WeakPolarHBondContact O-CA 3.15Å
39T80.2Confident75.9Confident42 Ų4280.5 Ų80.526%0.25843%0.427SS..  trans-61.8-28.7-173.952.90000113.8F37 S41 G148 Y149F37-T39 HydrophobicContact CB-CG2 4.03Å; F37-T39 PolarHBondContact O-N 3.42Å; T39-S41 PolarHBondContact O-N 3.3Å; T39-G148 VanDerWaalsContact CB-O 3.29Å; T39-G148 WeakPolarHBondContact CB-O 3.38Å; T39-Y149 HydrophobicContact CG2-CD2 3.87Å; T39-Y149 HydrophobicContact CG2-CE1 4.34Å; T39-Y149 HydrophobicContact CG2-CE2 3.69Å; T39-Y149 HydrophobicContact CG2-CG 4.33Å
40R65.5Low76Confident194 Ų19479.1 Ų79.173%0.73242%0.416SS*.SBendtrans-63.1109.8176.2-79-171.6175.5-179.3-4.1110.3K38 G42K38-R40 PolarHBondContact O-N 3.4Å; R40-G42 PolarHBondContact O-N 2.92Å
41S54.9Low76.1Confident45 Ų4579.9 Ų79.932%0.31541%0.414SS..  trans-46.3132.1160.1-38.30000108.1T39T39-S41 PolarHBondContact O-N 3.3Å
42G49Very low76.3Confident38 Ų3878.8 Ų78.839%0.39241%0.41SS..SBendtrans-55.7-177161.900000110.9R40 S44R40-G42 PolarHBondContact O-N 2.92Å; G42-S44 PolarHBondContact O-N 2.98Å
43P47.1Very low76.6Confident136 Ų13679.1 Ų79.188%0.88341%0.411SS*.SBendtrans-36.6116.7-173.913.4-28.9000111.6F45P43-F45 PolarHBondContact O-N 3.04Å
44S52.3Low76.7Confident111 Ų11179.3 Ų79.378%0.77642%0.415SS*.  trans-29105.3-163.8-167.50000112G42 S46G42-S44 PolarHBondContact O-N 2.98Å; S44-S46 PolarHBondContact O-N 3.24Å; S44-S46 VanDerWaalsContact O-N 3.11Å
45F59.6Low77.1Confident65 Ų6574.3 Ų74.329%0.28541%0.405SS..  trans-50.5126.7154.7-79.1-71.9000106P43 S47 V49P43-F45 PolarHBondContact O-N 3.04Å; F45-S47 PolarHBondContact O-N 3.08Å; F45-V49 HydrophobicContact CB-CG1 4.36Å; F45-V49 HydrophobicContact CB-CG2 3.78Å; F45-V49 HydrophobicContact CD1-CG1 4.01Å; F45-V49 HydrophobicContact CD1-CG2 4.24Å; F45-V49 HydrophobicContact CG-CG2 4.22Å
46S69.6Low77.4Confident61 Ų6170 Ų7043%0.42738%0.383SS..  trans-54.5136.8171.7-179.50000107S44 R48 V49S44-S46 PolarHBondContact O-N 3.24Å; S44-S46 VanDerWaalsContact O-N 3.11Å; S46-R48 PolarHBondContact O-N 3.26Å; S46-R48 WeakPolarHBondContact OG-CB 3.08Å; S46-R48 WeakPolarHBondContact OG-CG 3.19Å; S46-R48 PolarHBondContact OG-N 3.36Å; S46-V49 WeakPolarHBondContact O-CG2 3.36Å; S46-V49 PolarHBondContact O-N 3.41Å
47S78Confident77.6Confident93 Ų9374.5 Ų74.565%0.6541%0.406SS*.G310 helixtrans-52.5-21.4174.651.70000112.3F45 V49 Y50F45-S47 PolarHBondContact O-N 3.08Å; S47-V49 PolarHBondContact O-N 3.14Å; S47-Y50 PolarHBondContact O-N 3.26Å
48R82.5Confident77.7Confident177 Ų17774.4 Ų74.467%0.66841%0.406SS*.G310 helixtrans-55.8-29.1171.4-64.8-176.2-179.4-172-0.2114.2S46 Y50 T51 H52S46-R48 PolarHBondContact O-N 3.26Å; S46-R48 WeakPolarHBondContact OG-CB 3.08Å; S46-R48 WeakPolarHBondContact OG-CG 3.19Å; S46-R48 PolarHBondContact OG-N 3.36Å; R48-Y50 PolarHBondContact O-N 3.33Å; R48-Y50 VanDerWaalsContact O-N 3.12Å; R48-T51 PolarHBondContact O-N 2.63Å; R48-H52 WeakPolarHBondContact O-CA 3.45Å; R48-H52 VanDerWaalsContact O-CB 3.27Å; R48-H52 WeakPolarHBondContact O-CB 3.05Å; R48-H52 PolarHBondContact O-N 3.08Å
49V86.7Confident77.8Confident15 Ų1572 Ų729%0.09140%0.402CS..G310 helixtrans-63.4-23-178.8-55.60000112.9F45 S46 S47 V56 W80 A123F45-V49 HydrophobicContact CB-CG1 4.36Å; F45-V49 HydrophobicContact CB-CG2 3.78Å; F45-V49 HydrophobicContact CD1-CG1 4.01Å; F45-V49 HydrophobicContact CD1-CG2 4.24Å; F45-V49 HydrophobicContact CG-CG2 4.22Å; S46-V49 WeakPolarHBondContact O-CG2 3.36Å; S46-V49 PolarHBondContact O-N 3.41Å; S47-V49 PolarHBondContact O-N 3.14Å; V49-V56 HydrophobicContact CB-CG1 3.95Å; V49-V56 HydrophobicContact CG1-CG1 4.37Å; V49-W80 VanDerWaalsContact O-CZ2 3.26Å; V49-W80 WeakPolarHBondContact O-CZ2 3.21Å; V49-A123 HydrophobicContact CB-CB 4.22Å; V49-A123 HydrophobicContact CG2-CB 3.74Å
50Y90.9Very high77.9Confident10 Ų1073.2 Ų73.24%0.03941%0.412CS..G310 helixtrans-82.1-21.7-179.5-57.3-63.3000114S47 R48 N65 W80 S121 R122 A123 G150 D151S47-Y50 PolarHBondContact O-N 3.26Å; R48-Y50 PolarHBondContact O-N 3.33Å; R48-Y50 VanDerWaalsContact O-N 3.12Å; Y50-N65 VanDerWaalsContact O-CB 3.28Å; Y50-N65 WeakPolarHBondContact O-CB 3.31Å; Y50-N65 PolarHBondContact O-OD1 3.09Å; Y50-N65 VanDerWaalsContact O-OD1 3.13Å; Y50-W80 HydrophobicContact CD1-CZ2 4.18Å; Y50-W80 PolarHBondContact O-NE1 2.98Å; Y50-S121 VanDerWaalsContact OH-CB 3.3Å; Y50-S121 WeakPolarHBondContact OH-CB 3.48Å; Y50-S121 PolarHBondContact OH-OG 3.17Å; Y50-S121 VanDerWaalsContact OH-OG 3.1Å; Y50-R122 VanDerWaalsContact CD1-CZ 3.49Å; Y50-A123 HydrophobicContact CD1-CB 4.29Å; Y50-A123 HydrophobicContact CE1-CB 3.95Å; Y50-G150 WeakPolarHBondContact OH-CA 3.27Å; Y50-D151 VanDerWaalsContact CB-OD2 3.27Å; Y50-D151 WeakPolarHBondContact CB-OD2 3.23Å; Y50-D151 HydrophobicContact CD2-CB 3.75Å; Y50-D151 HydrophobicContact CE2-CB 3.85Å; Y50-D151 HydrophobicContact CG-CB 4.22Å; Y50-D151 VanDerWaalsContact CG-OD2 3.27Å
51T90.1Very high78.8Confident88 Ų8865.4 Ų65.454%0.5439%0.392SS..THydrogen-bonded Turntrans-123.9-17.7-174.155.30000114R48R48-T51 PolarHBondContact O-N 2.63Å
52H90.5Very high80.5Confident92 Ų9264.6 Ų64.643%0.42638%0.383SS..  trans-112.686177.1-175.348.1000109.4R48 E54 S55R48-H52 WeakPolarHBondContact O-CA 3.45Å; R48-H52 VanDerWaalsContact O-CB 3.27Å; R48-H52 WeakPolarHBondContact O-CB 3.05Å; R48-H52 PolarHBondContact O-N 3.08Å; H52-E54 IonicContact CE1-OE2 3.45Å; H52-E54 PolarHBondContact CE1-OE2 3.28Å; H52-E54 IonicContact CG-OE2 3.87Å; H52-E54 IonicContact ND1-OE2 3.51Å; H52-E54 PolarHBondContact ND1-OE2 3.01Å; H52-E54 PolarHBondContact O-N 3.4Å; H52-S55 WeakPolarHBondContact O-CB 3.14Å; H52-S55 PolarHBondContact O-N 3.07Å; H52-S55 VanDerWaalsContact O-N 3.08Å; H52-S55 PolarHBondContact O-OG 3.21Å
53F91.6Very high82.6Confident15 Ų1563.3 Ų63.37%0.06637%0.369CS..G310 helixtrans-61.7-28.1-171-71.2-64.7000114.1S55 V56 N57 I58 A63 N65 W80F53-S55 PolarHBondContact O-N 2.76Å; F53-V56 CarbonylContact O-C 3.57Å; F53-V56 WeakPolarHBondContact O-CG2 3.47Å; F53-V56 PolarHBondContact O-N 3.12Å; F53-N57 PolarHBondContact O-N 3.11Å; F53-I58 CarbonylContact C-O 3.08Å; F53-I58 HydrophobicContact CB-CB 3.94Å; F53-I58 HydrophobicContact CB-CG2 4.01Å; F53-I58 HydrophobicContact CD1-CD1 4.31Å; F53-I58 HydrophobicContact CG-CG2 4.42Å; F53-I58 PolarHBondContact O-N 3.13Å; F53-I58 VanDerWaalsContact O-O 3.12Å; F53-A63 HydrophobicContact CD1-CB 3.67Å; F53-A63 HydrophobicContact CD2-CB 3.79Å; F53-A63 HydrophobicContact CE1-CB 3.55Å; F53-A63 VanDerWaalsContact CE2-C 3.46Å; F53-A63 HydrophobicContact CE2-CB 3.68Å; F53-A63 WeakPolarHBondContact CE2-O 3.41Å; F53-A63 HydrophobicContact CG-CB 3.78Å; F53-A63 HydrophobicContact CZ-CB 3.55Å; F53-N65 HydrophobicContact CE2-CB 4.4Å; F53-N65 HydrophobicContact CZ-CB 3.81Å; F53-W80 HydrophobicContact CD1-CZ2 4.41Å; F53-W80 AromaticContact CE1-CD1 3.9Å; F53-W80 AromaticContact CE1-CD2 3.67Å; F53-W80 HydrophobicContact CE1-CD2 3.67Å; F53-W80 AromaticContact CE1-CE2 3.6Å; F53-W80 HydrophobicContact CE1-CE3 4.18Å; F53-W80 AromaticContact CE1-CG 3.87Å; F53-W80 HydrophobicContact CE1-CG 3.87Å; F53-W80 HydrophobicContact CE1-CZ2 4.06Å; F53-W80 AromaticContact CE1-NE1 3.72Å; F53-W80 HydrophobicContact CZ-CG 4.32Å
54E90.6Very high84.9Confident73 Ų7359.9 Ų59.934%0.34134%0.341SS..G310 helixtrans-63.3-30.6177.8-59.187.7160.900111.1H52 V56 N57 I58 S60H52-E54 IonicContact CE1-OE2 3.45Å; H52-E54 PolarHBondContact CE1-OE2 3.28Å; H52-E54 IonicContact CG-OE2 3.87Å; H52-E54 IonicContact ND1-OE2 3.51Å; H52-E54 PolarHBondContact ND1-OE2 3.01Å; H52-E54 PolarHBondContact O-N 3.4Å; E54-V56 PolarHBondContact O-N 3.35Å; E54-V56 VanDerWaalsContact O-N 3.17Å; E54-N57 PolarHBondContact O-N 2.63Å; E54-N57 VanDerWaalsContact O-N 3.08Å; E54-I58 WeakPolarHBondContact CA-O 3.34Å; E54-I58 PolarHBondContact N-O 3.13Å; E54-S60 WeakPolarHBondContact OE1-CA 3.47Å; E54-S60 WeakPolarHBondContact OE1-CB 3.4Å; E54-S60 PolarHBondContact OE1-OG 3.23Å
55S91.3Very high87Confident58 Ų5856 Ų5641%0.40631%0.311SS..G310 helixtrans-65.7-15.8175.172.90000114.1H52 F53H52-S55 WeakPolarHBondContact O-CB 3.14Å; H52-S55 PolarHBondContact O-N 3.07Å; H52-S55 VanDerWaalsContact O-N 3.08Å; H52-S55 PolarHBondContact O-OG 3.21Å; F53-S55 PolarHBondContact O-N 2.76Å
56V91.4Very high88.7Confident15 Ų1554.2 Ų54.29%0.09130%0.304CS..G310 helixtrans-115.416.9175.1-60.60000112.4V49 F53 E54 I58 W80 A123 V128V49-V56 HydrophobicContact CB-CG1 3.95Å; V49-V56 HydrophobicContact CG1-CG1 4.37Å; F53-V56 CarbonylContact O-C 3.57Å; F53-V56 WeakPolarHBondContact O-CG2 3.47Å; F53-V56 PolarHBondContact O-N 3.12Å; E54-V56 PolarHBondContact O-N 3.35Å; E54-V56 VanDerWaalsContact O-N 3.17Å; V56-I58 HydrophobicContact CG2-CD1 4.03Å; V56-I58 HydrophobicContact CG2-CG1 4.39Å; V56-W80 HydrophobicContact CG2-CH2 3.93Å; V56-W80 HydrophobicContact CG2-CZ3 4.4Å; V56-A123 HydrophobicContact CG1-CB 4.25Å; V56-V128 HydrophobicContact CB-CG2 4.33Å; V56-V128 WeakPolarHBondContact O-CG1 3.37Å
57N92Very high90Very high115 Ų11556.7 Ų56.762%0.61530%0.304SS*.THydrogen-bonded Turntrans6432.2179.4-50.4-58.6000115F53 E54 K132F53-N57 PolarHBondContact O-N 3.11Å; E54-N57 PolarHBondContact O-N 2.63Å; E54-N57 VanDerWaalsContact O-N 3.08Å; N57-K132 WeakPolarHBondContact O-CD 3.41Å; N57-K132 WeakPolarHBondContact O-CE 3.48Å; N57-K132 PolarHBondContact O-NZ 2.91Å
58I91.7Very high90.9Very high3 Ų353.3 Ų53.32%0.01528%0.279CS..  trans-105.2126.4164.7-67.8162.7000107.4F53 E54 V56 H62 A63 W80 I82 V128 K132F53-I58 CarbonylContact C-O 3.08Å; F53-I58 HydrophobicContact CB-CB 3.94Å; F53-I58 HydrophobicContact CB-CG2 4.01Å; F53-I58 HydrophobicContact CD1-CD1 4.31Å; F53-I58 HydrophobicContact CG-CG2 4.42Å; F53-I58 PolarHBondContact O-N 3.13Å; F53-I58 VanDerWaalsContact O-O 3.12Å; E54-I58 WeakPolarHBondContact CA-O 3.34Å; E54-I58 PolarHBondContact N-O 3.13Å; V56-I58 HydrophobicContact CG2-CD1 4.03Å; V56-I58 HydrophobicContact CG2-CG1 4.39Å; I58-H62 HydrophobicContact CG2-CB 4.18Å; I58-A63 HydrophobicContact CG2-CB 3.8Å; I58-W80 HydrophobicContact CD1-CE3 4.48Å; I58-W80 HydrophobicContact CD1-CZ3 4.09Å; I58-I82 HydrophobicContact CD1-CD1 3.9Å; I58-V128 HydrophobicContact CD1-CG1 3.74Å; I58-V128 HydrophobicContact CG1-CG1 3.75Å; I58-K132 HydrophobicContact CG1-CD 4.4Å; I58-K132 HydrophobicContact CG1-CG 4.28Å
59P87.8Confident91.6Very high67 Ų6746.9 Ų46.944%0.43526%0.264SS..  trans-59.1152.4179.7-23.433.6000113.2H62P59-H62 HydrophobicContact CB-CB 4.4Å; P59-H62 WeakPolarHBondContact O-CB 3.28Å; P59-H62 PolarHBondContact O-N 2.9Å
60S82.5Confident91.9Very high67 Ų6746.2 Ų46.247%0.46926%0.26SS..THydrogen-bonded Turntrans-54.7144.3171.9-137.40000111E54 H62E54-S60 WeakPolarHBondContact OE1-CA 3.47Å; E54-S60 WeakPolarHBondContact OE1-CB 3.4Å; E54-S60 PolarHBondContact OE1-OG 3.23Å; S60-H62 PolarHBondContact O-CD2 3.06Å; S60-H62 VanDerWaalsContact O-CD2 3.28Å; S60-H62 PolarHBondContact O-N 2.99Å
61G84.4Confident91.7Very high29 Ų2949 Ų4930%0.29928%0.275SS..THydrogen-bonded Turntrans74.6-16.8-179.600000115.8A63 L83G61-A63 VanDerWaalsContact C-N 3.28Å; G61-A63 PolarHBondContact O-N 3.32Å; G61-L83 WeakPolarHBondContact O-CD1 3.4Å
62H90.8Very high91.7Very high28 Ų2848 Ų4813%0.1327%0.266CS..SBendtrans-82.6-5-179.1-71.1-140.9000113.6I58 P59 S60 L83 I90I58-H62 HydrophobicContact CG2-CB 4.18Å; P59-H62 HydrophobicContact CB-CB 4.4Å; P59-H62 WeakPolarHBondContact O-CB 3.28Å; P59-H62 PolarHBondContact O-N 2.9Å; S60-H62 PolarHBondContact O-CD2 3.06Å; S60-H62 VanDerWaalsContact O-CD2 3.28Å; S60-H62 PolarHBondContact O-N 2.99Å; H62-L83 PolarHBondContact O-N 2.95Å; H62-I90 HydrophobicContact CB-CG2 4.43Å; H62-I90 PolarHBondContact NE2-O 3.08Å
63A93.5Very high91.6Very high12 Ų1247.8 Ų47.810%0.09927%0.268CS..EExtended strand (participates in β ladder)trans-146.5152.7-179.600000112.3F53 I58 G61 H81 I82F53-A63 HydrophobicContact CD1-CB 3.67Å; F53-A63 HydrophobicContact CD2-CB 3.79Å; F53-A63 HydrophobicContact CE1-CB 3.55Å; F53-A63 VanDerWaalsContact CE2-C 3.46Å; F53-A63 HydrophobicContact CE2-CB 3.68Å; F53-A63 WeakPolarHBondContact CE2-O 3.41Å; F53-A63 HydrophobicContact CG-CB 3.78Å; F53-A63 HydrophobicContact CZ-CB 3.55Å; I58-A63 HydrophobicContact CG2-CB 3.8Å; G61-A63 VanDerWaalsContact C-N 3.28Å; G61-A63 PolarHBondContact O-N 3.32Å; A63-H81 CarbonylContact C-O 3.56Å; A63-H81 VanDerWaalsContact CA-O 3.22Å; A63-H81 WeakPolarHBondContact CA-O 3.44Å; A63-I82 HydrophobicContact CB-CD1 3.46Å; A63-I82 VanDerWaalsContact CB-CD1 3.46Å
64H94.9Very high91.5Very high64 Ų6452.9 Ų52.930%0.29629%0.29SS..EExtended strand (participates in β ladder)trans-130.4126.3178.1-176.369.2000110.5F66 W80 H81 Y98H64-F66 AromaticContact CD2-CD1 3.71Å; H64-W80 CarbonylContact O-C 3.51Å; H64-W80 WeakPolarHBondContact O-CA 3.28Å; H64-H81 PolarHBondContact N-O 3.27Å; H64-H81 PolarHBondContact O-N 3.41Å; H64-Y98 HydrophobicContact CB-CD2 3.37Å; H64-Y98 HydrophobicContact CB-CE2 3.43Å; H64-Y98 VanDerWaalsContact CB-CE2 3.43Å; H64-Y98 HydrophobicContact CB-CG 4.01Å; H64-Y98 AromaticContact CD2-CD1 3.97Å; H64-Y98 AromaticContact CD2-CE1 3.87Å; H64-Y98 AromaticContact CD2-CZ 3.92Å; H64-Y98 AromaticContact CG-CD2 3.62Å; H64-Y98 AromaticContact CG-CE2 3.81Å; H64-Y98 AromaticContact CG-CG 3.71Å; H64-Y98 AromaticContact ND1-CG 3.8Å
65N95.7Very high91.7Very high28 Ų2849.6 Ų49.615%0.1528%0.276CS..EExtended strand (participates in β ladder)trans-99.9133176176.485.1000110.3Y50 F53 V79 W80 R122Y50-N65 VanDerWaalsContact O-CB 3.28Å; Y50-N65 WeakPolarHBondContact O-CB 3.31Å; Y50-N65 PolarHBondContact O-OD1 3.09Å; Y50-N65 VanDerWaalsContact O-OD1 3.13Å; F53-N65 HydrophobicContact CE2-CB 4.4Å; F53-N65 HydrophobicContact CZ-CB 3.81Å; N65-V79 WeakPolarHBondContact CA-O 3.4Å; N65-W80 PolarHBondContact OD1-NE1 2.94Å; N65-W80 VanDerWaalsContact OD1-NE1 3.1Å; N65-R122 PolarHBondContact OD1-NH2 2.91Å; N65-R122 VanDerWaalsContact OD1-NH2 3.1Å
66F96.8Very high91.9Very high29 Ų2950.6 Ų50.613%0.12728%0.276CS..EExtended strand (participates in β ladder)trans-152.3175.7176.865-77.3000110.4H64 I68 V79 H81 F142 F172H64-F66 AromaticContact CD2-CD1 3.71Å; F66-I68 HydrophobicContact CD2-CG1 3.95Å; F66-I68 HydrophobicContact CE2-CD1 3.65Å; F66-I68 HydrophobicContact CE2-CG1 3.55Å; F66-I68 HydrophobicContact CZ-CD1 4.34Å; F66-V79 HydrophobicContact CD1-CB 4.35Å; F66-V79 HydrophobicContact CD2-CB 4.39Å; F66-V79 HydrophobicContact CE1-CB 3.92Å; F66-V79 HydrophobicContact CE1-CG1 3.67Å; F66-V79 HydrophobicContact CE2-CB 3.99Å; F66-V79 HydrophobicContact CE2-CG1 4.1Å; F66-V79 HydrophobicContact CE2-CG2 4.47Å; F66-V79 HydrophobicContact CZ-CB 3.71Å; F66-V79 HydrophobicContact CZ-CG1 3.39Å; F66-V79 PolarHBondContact N-O 3.37Å; F66-V79 PolarHBondContact O-N 3.06Å; F66-V79 VanDerWaalsContact O-O 3.08Å; F66-H81 HydrophobicContact CE1-CB 4.15Å; F66-F142 HydrophobicContact CE1-CD1 4.49Å; F66-F142 HydrophobicContact CE1-CE1 4.08Å; F66-F142 HydrophobicContact CZ-CD1 4.15Å; F66-F142 AromaticContact CZ-CE1 3.8Å; F66-F142 HydrophobicContact CZ-CE1 3.8Å; F66-F172 HydrophobicContact CD2-CZ 4.19Å; F66-F172 HydrophobicContact CE2-CD1 4.1Å; F66-F172 AromaticContact CE2-CE1 3.46Å; F66-F172 HydrophobicContact CE2-CE1 3.46Å; F66-F172 VanDerWaalsContact CE2-CE1 3.46Å; F66-F172 AromaticContact CE2-CE2 3.93Å; F66-F172 HydrophobicContact CE2-CE2 3.93Å; F66-F172 AromaticContact CE2-CZ 3.36Å; F66-F172 HydrophobicContact CE2-CZ 3.36Å; F66-F172 HydrophobicContact CZ-CD1 4.14Å; F66-F172 AromaticContact CZ-CE1 3.44Å; F66-F172 HydrophobicContact CZ-CE1 3.44Å; F66-F172 VanDerWaalsContact CZ-CE1 3.44Å; F66-F172 AromaticContact CZ-CZ 3.77Å; F66-F172 HydrophobicContact CZ-CZ 3.77Å
67Y97.3Very high92.2Very high112 Ų11249.9 Ų49.944%0.43927%0.272SS..EExtended strand (participates in β ladder)trans-126.3141.5-178.4-59.6-92.5000111.1L77 D151Y67-L77 VanDerWaalsContact CA-O 3.24Å; Y67-L77 WeakPolarHBondContact CA-O 3.46Å; Y67-D151 PolarHBondContact OH-OD2 2.92Å; Y67-D151 VanDerWaalsContact OH-OD2 3.09Å
68I96.8Very high92.4Very high22 Ų2244.4 Ų44.411%0.11324%0.243CC..EExtended strand (participates in β ladder)trans-122.7133.2175.1-46.9173.5000108.7F66 L77 V79 T168 V169 F172F66-I68 HydrophobicContact CD2-CG1 3.95Å; F66-I68 HydrophobicContact CE2-CD1 3.65Å; F66-I68 HydrophobicContact CE2-CG1 3.55Å; F66-I68 HydrophobicContact CZ-CD1 4.34Å; I68-L77 PolarHBondContact N-O 3.5Å; I68-L77 WeakPolarHBondContact O-CB 3.34Å; I68-L77 PolarHBondContact O-N 2.96Å; I68-V79 HydrophobicContact CD1-CG2 3.81Å; I68-V79 HydrophobicContact CG1-CG2 3.93Å; I68-T168 HydrophobicContact CB-CG2 4.33Å; I68-T168 HydrophobicContact CG2-CG2 3.51Å; I68-V169 HydrophobicContact CD1-CG2 4.41Å; I68-F172 HydrophobicContact CD1-CB 3.66Å; I68-F172 HydrophobicContact CD1-CD1 3.82Å; I68-F172 HydrophobicContact CD1-CD2 3.81Å; I68-F172 HydrophobicContact CD1-CE1 4.46Å; I68-F172 HydrophobicContact CD1-CE2 4.42Å; I68-F172 HydrophobicContact CD1-CG 3.47Å; I68-F172 VanDerWaalsContact CD1-CG 3.47Å; I68-F172 HydrophobicContact CG1-CD2 4.26Å; I68-F172 HydrophobicContact CG1-CG 4.4Å
69A96.9Very high92.8Very high43 Ų4344.3 Ų44.336%0.35524%0.242SC..EExtended strand (participates in β ladder)trans-76.6129.9173.500000110.6K74 A75 L76 T168A69-K74 HydrophobicContact CB-CB 4.36Å; A69-K74 HydrophobicContact CB-CD 4.12Å; A69-A75 CarbonylContact C-O 3.59Å; A69-A75 WeakPolarHBondContact CA-O 3.44Å; A69-L76 HydrophobicContact CB-CD2 4.27Å; A69-T168 WeakPolarHBondContact O-CG2 3.45Å
70S93.2Very high93.2Very high0 Ų041.1 Ų41.10%022%0.221CC..  trans-55.5151.5175.6670000112D72 D73 K74 A75S70-D72 VanDerWaalsContact C-N 3.25Å; S70-D72 WeakPolarHBondContact CB-OD1 3.42Å; S70-D72 PolarHBondContact O-N 3.24Å; S70-D72 PolarHBondContact OG-OD1 3.47Å; S70-D72 VanDerWaalsContact OG-OD1 3.13Å; S70-D73 PolarHBondContact OG-OD1 2.85Å; S70-K74 WeakPolarHBondContact O-CD 3.48Å; S70-K74 PolarHBondContact O-NZ 3.25Å; S70-K74 WeakPolarHBondContact OG-CA 3.17Å; S70-K74 PolarHBondContact OG-N 3.47Å; S70-A75 PolarHBondContact N-O 3.49Å; S70-A75 PolarHBondContact OG-N 2.97Å
71L86.2Confident94Very high69 Ų6937.9 Ų37.936%0.36120%0.199SC..THydrogen-bonded Turntrans-61.2-33.9-177.8-76166.3000113.4K74 L167 T168L71-K74 PolarHBondContact O-NZ 2.91Å; L71-L167 HydrophobicContact CD1-CB 4.2Å; L71-L167 HydrophobicContact CD1-CD2 3.81Å; L71-L167 HydrophobicContact CD1-CG 3.9Å; L71-T168 WeakPolarHBondContact CG-OG1 3.2Å; L71-T168 PolarHBondContact N-OG1 3.36Å; L71-T168 VanDerWaalsContact N-OG1 3.14Å
72D89.8Confident94.6Very high66 Ų6636.7 Ų36.735%0.35319%0.185SC..THydrogen-bonded Turntrans-91.4-83.6-175.759.2-30.9000113.1S70 K74 R147 L164S70-D72 VanDerWaalsContact C-N 3.25Å; S70-D72 WeakPolarHBondContact CB-OD1 3.42Å; S70-D72 PolarHBondContact O-N 3.24Å; S70-D72 PolarHBondContact OG-OD1 3.47Å; S70-D72 VanDerWaalsContact OG-OD1 3.13Å; D72-K74 PolarHBondContact O-N 3.29Å; D72-R147 IonicContact OD1-CZ 3.53Å; D72-R147 IonicContact OD1-NH1 3.38Å; D72-R147 PolarHBondContact OD1-NH1 2.77Å; D72-R147 IonicContact OD1-NH2 3.61Å; D72-R147 PolarHBondContact OD1-NH2 2.69Å; D72-R147 IonicContact OD2-CZ 3.15Å; D72-R147 IonicContact OD2-NH1 3.97Å; D72-R147 PolarHBondContact OD2-NH1 2.92Å; D72-R147 IonicContact OD2-NH2 2.69Å; D72-R147 PolarHBondContact OD2-NH2 2.89Å; D72-L164 HydrophobicContact CB-CD1 3.95Å
73D87.8Confident94.8Very high88 Ų8835.4 Ų35.447%0.47118%0.179SC..THydrogen-bonded Turntrans-91.92.7-166.867.9-4000113.9S70 A75 R147S70-D73 PolarHBondContact OG-OD1 2.85Å; D73-A75 PolarHBondContact O-N 3.42Å; D73-A75 VanDerWaalsContact OD1-CB 3.26Å; D73-A75 WeakPolarHBondContact OD1-CB 3.21Å; D73-A75 PolarHBondContact OD1-N 3.49Å; D73-R147 IonicContact OD1-CZ 3.9Å; D73-R147 IonicContact OD1-NH1 3.88Å; D73-R147 PolarHBondContact OD1-NH1 3.15Å; D73-R147 VanDerWaalsContact OD1-NH1 3.13Å; D73-R147 IonicContact OD1-NH2 3.67Å; D73-R147 IonicContact OD2-CZ 3.32Å; D73-R147 IonicContact OD2-NH1 3.51Å; D73-R147 PolarHBondContact OD2-NH1 3.24Å
74K90.8Very high94.9Very high122 Ų12234.8 Ų34.853%0.5318%0.175SC..  trans60.527.5-177.2-48.8-65.3157.5-1460113.5A69 S70 L71 D72 L76A69-K74 HydrophobicContact CB-CB 4.36Å; A69-K74 HydrophobicContact CB-CD 4.12Å; S70-K74 WeakPolarHBondContact O-CD 3.48Å; S70-K74 PolarHBondContact O-NZ 3.25Å; S70-K74 WeakPolarHBondContact OG-CA 3.17Å; S70-K74 PolarHBondContact OG-N 3.47Å; L71-K74 PolarHBondContact O-NZ 2.91Å; D72-K74 PolarHBondContact O-N 3.29Å; K74-L76 PolarHBondContact O-N 2.81Å
75A93.6Very high94.7Very high4 Ų433.3 Ų33.33%0.03317%0.172CC..  trans-51.5131.9161.900000109.8A69 S70 D73 L77 R147A69-A75 CarbonylContact C-O 3.59Å; A69-A75 WeakPolarHBondContact CA-O 3.44Å; S70-A75 PolarHBondContact N-O 3.49Å; S70-A75 PolarHBondContact OG-N 2.97Å; D73-A75 PolarHBondContact O-N 3.42Å; D73-A75 VanDerWaalsContact OD1-CB 3.26Å; D73-A75 WeakPolarHBondContact OD1-CB 3.21Å; D73-A75 PolarHBondContact OD1-N 3.49Å; A75-L77 PolarHBondContact O-N 2.99Å; A75-R147 HydrophobicContact CB-CB 4.02Å
76L96.7Very high94.1Very high80 Ų8036.7 Ų36.742%0.41919%0.189SC..EExtended strand (participates in β ladder)trans-84.3114.1179-65177.4000108.2A69 K74 S152 T153A69-L76 HydrophobicContact CB-CD2 4.27Å; K74-L76 PolarHBondContact O-N 2.81Å; L76-S152 CarbonylContact O-C 3.57Å; L76-S152 WeakPolarHBondContact O-CA 3.34Å; L76-S152 WeakPolarHBondContact O-CB 3.48Å; L76-T153 HydrophobicContact CB-CG2 4.17Å; L76-T153 PolarHBondContact N-OG1 3.35Å; L76-T153 PolarHBondContact O-N 3.17Å
77L97.3Very high93.1Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-90.2122.1178.3-52.7178000108.8Y67 I68 A75 V79 R147 S152 D165 T168 V169Y67-L77 VanDerWaalsContact CA-O 3.24Å; Y67-L77 WeakPolarHBondContact CA-O 3.46Å; I68-L77 PolarHBondContact N-O 3.5Å; I68-L77 WeakPolarHBondContact O-CB 3.34Å; I68-L77 PolarHBondContact O-N 2.96Å; A75-L77 PolarHBondContact O-N 2.99Å; L77-V79 HydrophobicContact CB-CG2 4.46Å; L77-V79 PolarHBondContact O-N 3.47Å; L77-R147 HydrophobicContact CD2-CB 4.2Å; L77-S152 WeakPolarHBondContact CA-OG 3.42Å; L77-D165 HydrophobicContact CD1-CB 3.77Å; L77-D165 HydrophobicContact CD2-CB 4.13Å; L77-T168 HydrophobicContact CD1-CG2 4.27Å; L77-V169 HydrophobicContact CD1-CG2 4.45Å
78G96.9Very high91.9Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-73.1121.2171.100000110.2F144 D145 S152G78-F144 VanDerWaalsContact O-CA 3.24Å; G78-F144 WeakPolarHBondContact O-CA 3.44Å; G78-F144 WeakPolarHBondContact O-CB 3.45Å; G78-D145 PolarHBondContact O-N 2.81Å; G78-S152 PolarHBondContact N-OG 2.86Å
79V98.3Very high90.7Very high0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4137.9-176.4-171.40000109.8N65 F66 I68 L77 F142 F144 V169N65-V79 WeakPolarHBondContact CA-O 3.4Å; F66-V79 HydrophobicContact CD1-CB 4.35Å; F66-V79 HydrophobicContact CD2-CB 4.39Å; F66-V79 HydrophobicContact CE1-CB 3.92Å; F66-V79 HydrophobicContact CE1-CG1 3.67Å; F66-V79 HydrophobicContact CE2-CB 3.99Å; F66-V79 HydrophobicContact CE2-CG1 4.1Å; F66-V79 HydrophobicContact CE2-CG2 4.47Å; F66-V79 HydrophobicContact CZ-CB 3.71Å; F66-V79 HydrophobicContact CZ-CG1 3.39Å; F66-V79 PolarHBondContact N-O 3.37Å; F66-V79 PolarHBondContact O-N 3.06Å; F66-V79 VanDerWaalsContact O-O 3.08Å; I68-V79 HydrophobicContact CD1-CG2 3.81Å; I68-V79 HydrophobicContact CG1-CG2 3.93Å; L77-V79 HydrophobicContact CB-CG2 4.46Å; L77-V79 PolarHBondContact O-N 3.47Å; V79-F142 HydrophobicContact CG1-CD1 4.11Å; V79-F144 HydrophobicContact CB-CB 4.35Å; V79-F144 HydrophobicContact CG1-CB 4.29Å; V79-F144 HydrophobicContact CG2-CB 3.87Å; V79-V169 HydrophobicContact CG2-CG2 4.3Å
80W98Very high89.6Confident0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-111.5138.5166.3-64.9-13.2000110.1V49 Y50 F53 V56 I58 H64 N65 I82 R122 A123 V128 Y131 F142 C143V49-W80 VanDerWaalsContact O-CZ2 3.26Å; V49-W80 WeakPolarHBondContact O-CZ2 3.21Å; Y50-W80 HydrophobicContact CD1-CZ2 4.18Å; Y50-W80 PolarHBondContact O-NE1 2.98Å; F53-W80 HydrophobicContact CD1-CZ2 4.41Å; F53-W80 AromaticContact CE1-CD1 3.9Å; F53-W80 AromaticContact CE1-CD2 3.67Å; F53-W80 HydrophobicContact CE1-CD2 3.67Å; F53-W80 AromaticContact CE1-CE2 3.6Å; F53-W80 HydrophobicContact CE1-CE3 4.18Å; F53-W80 AromaticContact CE1-CG 3.87Å; F53-W80 HydrophobicContact CE1-CG 3.87Å; F53-W80 HydrophobicContact CE1-CZ2 4.06Å; F53-W80 AromaticContact CE1-NE1 3.72Å; F53-W80 HydrophobicContact CZ-CG 4.32Å; V56-W80 HydrophobicContact CG2-CH2 3.93Å; V56-W80 HydrophobicContact CG2-CZ3 4.4Å; I58-W80 HydrophobicContact CD1-CE3 4.48Å; I58-W80 HydrophobicContact CD1-CZ3 4.09Å; H64-W80 CarbonylContact O-C 3.51Å; H64-W80 WeakPolarHBondContact O-CA 3.28Å; N65-W80 PolarHBondContact OD1-NE1 2.94Å; N65-W80 VanDerWaalsContact OD1-NE1 3.1Å; W80-I82 HydrophobicContact CB-CD1 4.16Å; W80-I82 HydrophobicContact CE3-CD1 4.26Å; W80-R122 VanDerWaalsContact CD1-NE 3.27Å; W80-R122 HydrophobicContact CD2-CG 4.03Å; W80-R122 HydrophobicContact CE3-CG 4.17Å; W80-R122 HydrophobicContact CH2-CG 4.42Å; W80-R122 HydrophobicContact CZ2-CG 4.25Å; W80-R122 HydrophobicContact CZ3-CG 4.37Å; W80-R122 VanDerWaalsContact NE1-NE 3.15Å; W80-A123 HydrophobicContact CH2-CB 3.58Å; W80-A123 HydrophobicContact CZ2-CB 4Å; W80-V128 HydrophobicContact CZ3-CG2 4.15Å; W80-Y131 HydrophobicContact CE3-CD2 4.45Å; W80-Y131 HydrophobicContact CE3-CE2 4.21Å; W80-Y131 HydrophobicContact CZ3-CE2 4.24Å; W80-F142 WeakPolarHBondContact O-CA 3.35Å; W80-C143 PolarHBondContact N-O 2.79Å; W80-C143 PolarHBondContact O-N 2.87Å
81H97.9Very high88.3Confident0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-108115.1161.8179.1-157.4000108.7A63 H64 F66 L83 Y98 M102 H140 V141 F142 F177A63-H81 CarbonylContact C-O 3.56Å; A63-H81 VanDerWaalsContact CA-O 3.22Å; A63-H81 WeakPolarHBondContact CA-O 3.44Å; H64-H81 PolarHBondContact N-O 3.27Å; H64-H81 PolarHBondContact O-N 3.41Å; F66-H81 HydrophobicContact CE1-CB 4.15Å; H81-L83 VanDerWaalsContact CE1-CD2 3.44Å; H81-L83 WeakPolarHBondContact CE1-CD2 3.36Å; H81-Y98 AromaticContact ND1-CE2 3.5Å; H81-Y98 AromaticContact ND1-CZ 3.56Å; H81-Y98 PolarHBondContact ND1-OH 2.9Å; H81-M102 VanDerWaalsContact CE1-SD 3.52Å; H81-H140 AromaticContact CE1-CE1 3.9Å; H81-H140 AromaticContact CE1-ND1 3.26Å; H81-H140 PolarHBondContact CE1-ND1 3.32Å; H81-H140 VanDerWaalsContact CE1-ND1 3.26Å; H81-H140 AromaticContact NE2-CE1 3.85Å; H81-H140 AromaticContact NE2-CG 3.49Å; H81-H140 AromaticContact NE2-ND1 2.82Å; H81-H140 PolarHBondContact NE2-ND1 3.14Å; H81-V141 CarbonylContact C-O 3.51Å; H81-V141 WeakPolarHBondContact CA-O 3.27Å; H81-F142 HydrophobicContact CB-CD1 4.2Å; H81-F142 HydrophobicContact CB-CE1 3.68Å; H81-F142 HydrophobicContact CB-CE2 4.43Å; H81-F142 HydrophobicContact CB-CZ 3.79Å; H81-F142 AromaticContact CD2-CD2 3.91Å; H81-F142 AromaticContact CD2-CE2 3.37Å; H81-F142 WeakPolarHBondContact CD2-CE2 3.27Å; H81-F142 AromaticContact CD2-CZ 3.53Å; H81-F142 AromaticContact CE1-CZ 3.93Å; H81-F142 AromaticContact CG-CE1 3.84Å; H81-F142 AromaticContact CG-CE2 3.77Å; H81-F142 AromaticContact CG-CZ 3.39Å; H81-F142 AromaticContact ND1-CZ 3.65Å; H81-F142 AromaticContact NE2-CE2 3.59Å; H81-F142 AromaticContact NE2-CZ 3.89Å; H81-F177 AromaticContact CE1-CZ 3.79Å
82I96.6Very high87.4Confident3 Ų344.6 Ų44.62%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-94.6128.1172.1-42.5-56.7000108I58 A63 W80 Y131 V141I58-I82 HydrophobicContact CD1-CD1 3.9Å; A63-I82 HydrophobicContact CB-CD1 3.46Å; A63-I82 VanDerWaalsContact CB-CD1 3.46Å; W80-I82 HydrophobicContact CB-CD1 4.16Å; W80-I82 HydrophobicContact CE3-CD1 4.26Å; I82-Y131 HydrophobicContact CG1-CD2 4.48Å; I82-V141 HydrophobicContact CB-CB 4.05Å; I82-V141 HydrophobicContact CG1-CB 4.34Å; I82-V141 PolarHBondContact N-O 3.21Å; I82-V141 PolarHBondContact O-N 3.36Å
83L95.9Very high86.3Confident1 Ų141.9 Ų41.91%0.00523%0.229CC..  trans-81.8154.1-176.6-59.9178.9000111.4G61 H62 H81 S85 I90 Y98 I101 M102 L105 S135G61-L83 WeakPolarHBondContact O-CD1 3.4Å; H62-L83 PolarHBondContact O-N 2.95Å; H81-L83 VanDerWaalsContact CE1-CD2 3.44Å; H81-L83 WeakPolarHBondContact CE1-CD2 3.36Å; L83-S85 PolarHBondContact O-N 2.66Å; L83-I90 HydrophobicContact CB-CD1 3.54Å; L83-I90 HydrophobicContact CB-CG1 4.1Å; L83-I90 HydrophobicContact CB-CG2 4.38Å; L83-I90 HydrophobicContact CD1-CG1 4.31Å; L83-Y98 HydrophobicContact CD2-CE2 4.13Å; L83-I101 HydrophobicContact CD1-CD1 4.32Å; L83-I101 HydrophobicContact CD1-CG2 3.82Å; L83-M102 HydrophobicContact CD2-SD 3.9Å; L83-L105 HydrophobicContact CD2-CD1 4.47Å; L83-S135 WeakPolarHBondContact O-CB 3.45Å; L83-S135 PolarHBondContact O-OG 3.01Å
84P95.5Very high85.1Confident0 Ų045.5 Ų45.50%025%0.249CC..  trans-7090.2-178.927.9-36.7000112.4N86 N87 I90 L105 I109 S135 G138 Y139 H140P84-N86 PolarHBondContact O-N 3.01Å; P84-N87 WeakPolarHBondContact O-CB 3.38Å; P84-N87 PolarHBondContact O-N 2.97Å; P84-I90 VanDerWaalsContact C-CD1 3.5Å; P84-I90 HydrophobicContact CB-CD1 4.45Å; P84-I90 HydrophobicContact CG-CD1 3.73Å; P84-I90 WeakPolarHBondContact O-CD1 3.42Å; P84-L105 HydrophobicContact CG-CD1 4.18Å; P84-L105 HydrophobicContact CG-CD2 4.49Å; P84-I109 HydrophobicContact CB-CG2 4.48Å; P84-I109 HydrophobicContact CG-CD1 4.11Å; P84-I109 HydrophobicContact CG-CG2 4.45Å; P84-S135 CarbonylContact C-O 3.47Å; P84-G138 VanDerWaalsContact CB-O 3.3Å; P84-G138 WeakPolarHBondContact CB-O 3.5Å; P84-Y139 WeakPolarHBondContact CA-O 3.2Å; P84-H140 WeakPolarHBondContact CD-ND1 3.36Å
85S91.1Very high84.3Confident33 Ų3345 Ų4523%0.23126%0.26CS..THydrogen-bonded Turntrans-63.6-11.6-167.4560000116.4L83 N87 S135 S136L83-S85 PolarHBondContact O-N 2.66Å; S85-N87 PolarHBondContact O-N 3.03Å; S85-S135 VanDerWaalsContact CB-OG 3.28Å; S85-S135 WeakPolarHBondContact CB-OG 3.42Å; S85-S135 PolarHBondContact N-O 3.06Å; S85-S135 PolarHBondContact N-OG 3.09Å; S85-S135 PolarHBondContact OG-O 2.97Å; S85-S135 PolarHBondContact OG-OG 3.16Å; S85-S136 WeakPolarHBondContact OG-CA 3.47Å; S85-S136 PolarHBondContact OG-N 2.98Å
86N84Confident83.6Confident98 Ų9848 Ų4852%0.52427%0.271SS..THydrogen-bonded Turntrans-75.8-6.1172.675.6-10.2000113.8P84 G138P84-N86 PolarHBondContact O-N 3.01Å; N86-G138 WeakPolarHBondContact ND2-CA 3.49Å; N86-G138 PolarHBondContact ND2-N 3.45Å; N86-G138 WeakPolarHBondContact OD1-CA 3.42Å
87N75.5Confident83.1Confident38 Ų3846.9 Ų46.920%0.20327%0.27CS..SBendtrans-85.7124.6176.7-164.6-51.8000110.2P84 S85 E89 I90 L105P84-N87 WeakPolarHBondContact O-CB 3.38Å; P84-N87 PolarHBondContact O-N 2.97Å; S85-N87 PolarHBondContact O-N 3.03Å; N87-E89 PolarHBondContact O-N 2.86Å; N87-E89 VanDerWaalsContact O-N 3.14Å; N87-E89 VanDerWaalsContact OD1-CB 3.25Å; N87-E89 WeakPolarHBondContact OD1-CB 3.22Å; N87-E89 VanDerWaalsContact OD1-CG 3.3Å; N87-E89 WeakPolarHBondContact OD1-CG 3.19Å; N87-E89 PolarHBondContact OD1-N 3.28Å; N87-I90 HydrophobicContact CB-CD1 4.08Å; N87-I90 PolarHBondContact O-N 3.49Å; N87-L105 HydrophobicContact CB-CD2 4.08Å; N87-L105 VanDerWaalsContact ND2-CD2 3.34Å; N87-L105 WeakPolarHBondContact ND2-CD2 3.46Å
88E72.1Confident82.8Confident170 Ų17048.6 Ų48.679%0.79428%0.276SS*.Hα-helixtrans-56.3-30.9-179.2-64.9-174.8174.600112.6I90 S91 A92E88-I90 PolarHBondContact O-N 3.24Å; E88-S91 WeakPolarHBondContact O-CB 3.23Å; E88-S91 PolarHBondContact O-N 3.43Å; E88-A92 PolarHBondContact O-N 3.1Å
89E71.9Confident82.5Confident80 Ų8052.9 Ų52.937%0.37430%0.296SS..Hα-helixtrans-56.5-39.1175-65.4-67.7157.200111.3N87 S91 A92 R96N87-E89 PolarHBondContact O-N 2.86Å; N87-E89 VanDerWaalsContact O-N 3.14Å; N87-E89 VanDerWaalsContact OD1-CB 3.25Å; N87-E89 WeakPolarHBondContact OD1-CB 3.22Å; N87-E89 VanDerWaalsContact OD1-CG 3.3Å; N87-E89 WeakPolarHBondContact OD1-CG 3.19Å; N87-E89 PolarHBondContact OD1-N 3.28Å; E89-S91 VanDerWaalsContact C-N 3.29Å; E89-S91 PolarHBondContact O-N 3.16Å; E89-A92 PolarHBondContact O-N 3.42Å; E89-R96 VanDerWaalsContact CA-NH2 3.3Å; E89-R96 PolarHBondContact O-NH2 3.3Å; E89-R96 IonicContact OE2-CZ 3.53Å; E89-R96 IonicContact OE2-NH1 3.79Å; E89-R96 PolarHBondContact OE2-NH1 3.4Å; E89-R96 IonicContact OE2-NH2 2.69Å; E89-R96 PolarHBondContact OE2-NH2 3Å
90I71.9Confident82.1Confident0 Ų057.9 Ų57.90%032%0.32CS..Hα-helixtrans-74.2-24.6-178.5-66.2157.9000111.7H62 L83 P84 N87 E88 A92 T93 I101 L105H62-I90 HydrophobicContact CB-CG2 4.43Å; H62-I90 PolarHBondContact NE2-O 3.08Å; L83-I90 HydrophobicContact CB-CD1 3.54Å; L83-I90 HydrophobicContact CB-CG1 4.1Å; L83-I90 HydrophobicContact CB-CG2 4.38Å; L83-I90 HydrophobicContact CD1-CG1 4.31Å; P84-I90 VanDerWaalsContact C-CD1 3.5Å; P84-I90 HydrophobicContact CB-CD1 4.45Å; P84-I90 HydrophobicContact CG-CD1 3.73Å; P84-I90 WeakPolarHBondContact O-CD1 3.42Å; N87-I90 HydrophobicContact CB-CD1 4.08Å; N87-I90 PolarHBondContact O-N 3.49Å; E88-I90 PolarHBondContact O-N 3.24Å; I90-A92 VanDerWaalsContact C-N 3.27Å; I90-A92 PolarHBondContact O-N 2.99Å; I90-T93 HydrophobicContact CB-CG2 4.5Å; I90-T93 HydrophobicContact CG2-CG2 4.4Å; I90-T93 WeakPolarHBondContact O-CB 3.43Å; I90-T93 WeakPolarHBondContact O-CG2 3.13Å; I90-T93 PolarHBondContact O-OG1 3Å; I90-I101 HydrophobicContact CG1-CG2 4.03Å; I90-L105 HydrophobicContact CD1-CD1 4.25Å; I90-L105 HydrophobicContact CD1-CD2 4.24Å
91S67.6Low81.6Confident88 Ų8858 Ų5862%0.61532%0.321SS*.Hα-helixtrans-75.2-17.3176.8-60.70000112.9E88 E89E88-S91 WeakPolarHBondContact O-CB 3.23Å; E88-S91 PolarHBondContact O-N 3.43Å; E89-S91 VanDerWaalsContact C-N 3.29Å; E89-S91 PolarHBondContact O-N 3.16Å
92A66.6Low81.3Confident65 Ų6558.2 Ų58.254%0.53732%0.321SS..THydrogen-bonded Turntrans-99.328.8178.700000113.3E88 E89 I90 D94E88-A92 PolarHBondContact O-N 3.1Å; E89-A92 PolarHBondContact O-N 3.42Å; I90-A92 VanDerWaalsContact C-N 3.27Å; I90-A92 PolarHBondContact O-N 2.99Å; A92-D94 PolarHBondContact O-N 2.82Å
93T65.6Low81.1Confident10 Ų1064 Ų646%0.06135%0.353CS..G310 helixtrans-84.1-6.4-162.942.40000117I90 S95 R96 I101I90-T93 HydrophobicContact CB-CG2 4.5Å; I90-T93 HydrophobicContact CG2-CG2 4.4Å; I90-T93 WeakPolarHBondContact O-CB 3.43Å; I90-T93 WeakPolarHBondContact O-CG2 3.13Å; I90-T93 PolarHBondContact O-OG1 3Å; T93-S95 PolarHBondContact O-N 2.92Å; T93-R96 PolarHBondContact O-N 3.26Å; T93-R96 VanDerWaalsContact O-N 3.07Å; T93-I101 HydrophobicContact CG2-CD1 3.46Å; T93-I101 VanDerWaalsContact CG2-CD1 3.46Å; T93-I101 HydrophobicContact CG2-CG1 3.95Å
94D64.6Low80.8Confident164 Ų16466.1 Ų66.188%0.87737%0.367SS*.G310 helixtrans-57.3-14.1-169.8-78.4-14.1000115.4A92A92-D94 PolarHBondContact O-N 2.82Å
95S72.2Confident80.6Confident111 Ų11166.5 Ų66.578%0.77637%0.369SS*.G310 helixtrans-126.4-0.1177.167.60000116.1T93T93-S95 PolarHBondContact O-N 2.92Å
96R80.4Confident80.6Confident66 Ų6668 Ų6825%0.24938%0.378CS..  trans-99.8139-173.8-69.5-163.4-70.4-174.2-14.7112.5E89 T93 E100 I101E89-R96 VanDerWaalsContact CA-NH2 3.3Å; E89-R96 PolarHBondContact O-NH2 3.3Å; E89-R96 IonicContact OE2-CZ 3.53Å; E89-R96 IonicContact OE2-NH1 3.79Å; E89-R96 PolarHBondContact OE2-NH1 3.4Å; E89-R96 IonicContact OE2-NH2 2.69Å; E89-R96 PolarHBondContact OE2-NH2 3Å; T93-R96 PolarHBondContact O-N 3.26Å; T93-R96 VanDerWaalsContact O-N 3.07Å; R96-E100 HydrophobicContact CB-CB 4.38Å; R96-I101 HydrophobicContact CB-CD1 4.37Å; R96-I101 HydrophobicContact CB-CG1 3.88Å
97S86.2Confident80.9Confident57 Ų5768 Ų6840%0.39938%0.379SS..  trans-69156.1169.1680000111.2E99 E100 I101S97-E99 VanDerWaalsContact C-N 3.25Å; S97-E99 PolarHBondContact O-N 2.79Å; S97-E100 WeakPolarHBondContact CB-OE2 3.48Å; S97-E100 PolarHBondContact N-OE2 3.15Å; S97-E100 PolarHBondContact O-N 2.85Å; S97-E100 VanDerWaalsContact O-N 3.14Å; S97-E100 VanDerWaalsContact OG-CG 3.23Å; S97-E100 WeakPolarHBondContact OG-CG 3.4Å; S97-E100 PolarHBondContact OG-N 2.87Å; S97-E100 PolarHBondContact OG-OE2 2.71Å; S97-I101 WeakPolarHBondContact O-CG1 3.24Å; S97-I101 PolarHBondContact O-N 2.79Å; S97-I101 VanDerWaalsContact O-N 3.08Å
98Y89.7Confident81.8Confident36 Ų3671.3 Ų71.314%0.14140%0.396CS..Hα-helixtrans-53.5-41.9176.3170.4-102.2000112.7H64 H81 L83 I101 M102H64-Y98 HydrophobicContact CB-CD2 3.37Å; H64-Y98 HydrophobicContact CB-CE2 3.43Å; H64-Y98 VanDerWaalsContact CB-CE2 3.43Å; H64-Y98 HydrophobicContact CB-CG 4.01Å; H64-Y98 AromaticContact CD2-CD1 3.97Å; H64-Y98 AromaticContact CD2-CE1 3.87Å; H64-Y98 AromaticContact CD2-CZ 3.92Å; H64-Y98 AromaticContact CG-CD2 3.62Å; H64-Y98 AromaticContact CG-CE2 3.81Å; H64-Y98 AromaticContact CG-CG 3.71Å; H64-Y98 AromaticContact ND1-CG 3.8Å; H81-Y98 AromaticContact ND1-CE2 3.5Å; H81-Y98 AromaticContact ND1-CZ 3.56Å; H81-Y98 PolarHBondContact ND1-OH 2.9Å; L83-Y98 HydrophobicContact CD2-CE2 4.13Å; Y98-I101 PolarHBondContact O-N 3.1Å; Y98-M102 HydrophobicContact CD1-CG 4.25Å; Y98-M102 HydrophobicContact CD2-CG 4.23Å; Y98-M102 HydrophobicContact CE1-CG 3.83Å; Y98-M102 HydrophobicContact CE2-CG 3.83Å; Y98-M102 HydrophobicContact CE2-SD 4.07Å; Y98-M102 HydrophobicContact CG-CG 4.45Å; Y98-M102 WeakPolarHBondContact O-CB 3.37Å; Y98-M102 VanDerWaalsContact O-CG 3.27Å; Y98-M102 WeakPolarHBondContact O-CG 3.43Å; Y98-M102 PolarHBondContact O-N 3.06Å
99E90.7Very high83Confident90 Ų9064.2 Ų64.242%0.42136%0.363SS..Hα-helixtrans-70.1-34.5-179.9-69.9-59.5143.200112.6S97 M102 N103 R176S97-E99 VanDerWaalsContact C-N 3.25Å; S97-E99 PolarHBondContact O-N 2.79Å; E99-M102 PolarHBondContact O-N 2.9Å; E99-N103 WeakPolarHBondContact O-CB 3.37Å; E99-N103 PolarHBondContact O-N 2.87Å; E99-N103 PolarHBondContact O-ND2 2.97Å; E99-N103 VanDerWaalsContact O-ND2 3.09Å; E99-R176 VanDerWaalsContact CD-NH2 3.26Å; E99-R176 IonicContact OE1-NH2 2.63Å; E99-R176 PolarHBondContact OE1-NH2 2.98Å; E99-R176 IonicContact OE2-CZ 2.82Å; E99-R176 IonicContact OE2-NH2 3.71Å; E99-R176 PolarHBondContact OE2-NH2 3.48Å
100E89.5Confident84.2Confident105 Ų10561.4 Ų61.449%0.49135%0.352SS..Hα-helixtrans-64.4-42172.8-73.4163.1149.500111.7R96 S97 N103 S104R96-E100 HydrophobicContact CB-CB 4.38Å; S97-E100 WeakPolarHBondContact CB-OE2 3.48Å; S97-E100 PolarHBondContact N-OE2 3.15Å; S97-E100 PolarHBondContact O-N 2.85Å; S97-E100 VanDerWaalsContact O-N 3.14Å; S97-E100 VanDerWaalsContact OG-CG 3.23Å; S97-E100 WeakPolarHBondContact OG-CG 3.4Å; S97-E100 PolarHBondContact OG-N 2.87Å; S97-E100 PolarHBondContact OG-OE2 2.71Å; E100-N103 PolarHBondContact O-N 3.17Å; E100-S104 PolarHBondContact O-N 3.25Å
101I89.2Confident85.5Confident4 Ų461.4 Ų61.42%0.02135%0.352CS..Hα-helixtrans-63.3-48.9175.5-59.1159.2000109.6L83 I90 T93 R96 S97 Y98 N103 S104 L105L83-I101 HydrophobicContact CD1-CD1 4.32Å; L83-I101 HydrophobicContact CD1-CG2 3.82Å; I90-I101 HydrophobicContact CG1-CG2 4.03Å; T93-I101 HydrophobicContact CG2-CD1 3.46Å; T93-I101 VanDerWaalsContact CG2-CD1 3.46Å; T93-I101 HydrophobicContact CG2-CG1 3.95Å; R96-I101 HydrophobicContact CB-CD1 4.37Å; R96-I101 HydrophobicContact CB-CG1 3.88Å; S97-I101 WeakPolarHBondContact O-CG1 3.24Å; S97-I101 PolarHBondContact O-N 2.79Å; S97-I101 VanDerWaalsContact O-N 3.08Å; Y98-I101 PolarHBondContact O-N 3.1Å; I101-N103 VanDerWaalsContact C-N 3.27Å; I101-N103 PolarHBondContact O-N 3.12Å; I101-S104 PolarHBondContact O-N 3.25Å; I101-S104 PolarHBondContact O-OG 3.35Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 HydrophobicContact CG2-CG 4.44Å; I101-L105 WeakPolarHBondContact O-CG 3.22Å; I101-L105 PolarHBondContact O-N 3.46Å
102M91.6Very high87Confident3 Ų357.2 Ų57.22%0.01532%0.323CS..Hα-helixtrans-57.2-38.7178.3-75.4-56.2-56.100113H81 L83 Y98 E99 S104 L105 F177H81-M102 VanDerWaalsContact CE1-SD 3.52Å; L83-M102 HydrophobicContact CD2-SD 3.9Å; Y98-M102 HydrophobicContact CD1-CG 4.25Å; Y98-M102 HydrophobicContact CD2-CG 4.23Å; Y98-M102 HydrophobicContact CE1-CG 3.83Å; Y98-M102 HydrophobicContact CE2-CG 3.83Å; Y98-M102 HydrophobicContact CE2-SD 4.07Å; Y98-M102 HydrophobicContact CG-CG 4.45Å; Y98-M102 WeakPolarHBondContact O-CB 3.37Å; Y98-M102 VanDerWaalsContact O-CG 3.27Å; Y98-M102 WeakPolarHBondContact O-CG 3.43Å; Y98-M102 PolarHBondContact O-N 3.06Å; E99-M102 PolarHBondContact O-N 2.9Å; M102-S104 VanDerWaalsContact C-N 3.27Å; M102-S104 PolarHBondContact O-N 3.13Å; M102-L105 PolarHBondContact O-N 3.11Å; M102-F177 HydrophobicContact CE-CE1 3.58Å; M102-F177 HydrophobicContact CE-CE2 4.42Å; M102-F177 HydrophobicContact CE-CZ 3.39Å
103N90.6Very high88.5Confident126 Ų12654.1 Ų54.167%0.67430%0.297SS*.Hα-helixtrans-72-19.3177.5-69.9-27.5000113.4E99 E100 I101E99-N103 WeakPolarHBondContact O-CB 3.37Å; E99-N103 PolarHBondContact O-N 2.87Å; E99-N103 PolarHBondContact O-ND2 2.97Å; E99-N103 VanDerWaalsContact O-ND2 3.09Å; E100-N103 PolarHBondContact O-N 3.17Å; I101-N103 VanDerWaalsContact C-N 3.27Å; I101-N103 PolarHBondContact O-N 3.12Å
104S89.9Confident90.1Very high45 Ų4553.7 Ų53.732%0.31529%0.294SS..Hα-helixtrans-87.4-19.7176.670.70000113.9E100 I101 M102E100-S104 PolarHBondContact O-N 3.25Å; I101-S104 PolarHBondContact O-N 3.25Å; I101-S104 PolarHBondContact O-OG 3.35Å; M102-S104 VanDerWaalsContact C-N 3.27Å; M102-S104 PolarHBondContact O-N 3.13Å
105L91.7Very high91.7Very high7 Ų745.9 Ų45.94%0.03725%0.253CS..SBendtrans-84.5143.4-177.6-66174.3000111.3L83 P84 N87 I90 I101 M102 N107 I109L83-L105 HydrophobicContact CD2-CD1 4.47Å; P84-L105 HydrophobicContact CG-CD1 4.18Å; P84-L105 HydrophobicContact CG-CD2 4.49Å; N87-L105 HydrophobicContact CB-CD2 4.08Å; N87-L105 VanDerWaalsContact ND2-CD2 3.34Å; N87-L105 WeakPolarHBondContact ND2-CD2 3.46Å; I90-L105 HydrophobicContact CD1-CD1 4.25Å; I90-L105 HydrophobicContact CD1-CD2 4.24Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 HydrophobicContact CG2-CG 4.44Å; I101-L105 WeakPolarHBondContact O-CG 3.22Å; I101-L105 PolarHBondContact O-N 3.46Å; M102-L105 PolarHBondContact O-N 3.11Å; L105-N107 PolarHBondContact O-N 3.24Å; L105-I109 HydrophobicContact CB-CD1 4.38Å
106P92Very high93Very high65 Ų6540.6 Ų40.642%0.42222%0.216SC..  trans-55.7134.8169.4-22.228.4000112.3D108 I109P106-D108 VanDerWaalsContact CB-OD1 3.32Å; P106-D108 WeakPolarHBondContact CB-OD1 3.26Å; P106-D108 PolarHBondContact O-N 3.26Å; P106-I109 HydrophobicContact CB-CD1 4.37Å; P106-I109 HydrophobicContact CB-CG1 4.1Å; P106-I109 HydrophobicContact CG-CD1 4.28Å; P106-I109 HydrophobicContact CG-CG1 4.43Å
107N90.2Very high93.7Very high99 Ų9937.6 Ų37.653%0.52921%0.205SC..THydrogen-bonded Turntrans-75.8-3.9-175.9-74.7-44.2000114.4L105 A180L105-N107 PolarHBondContact O-N 3.24Å; N107-A180 PolarHBondContact O-N 2.89Å
108D94.2Very high94Very high106 Ų10637 Ų3757%0.56720%0.197SC*.THydrogen-bonded Turntrans-108.94.3-17764.7-20000113.7P106 P181P106-D108 VanDerWaalsContact CB-OD1 3.32Å; P106-D108 WeakPolarHBondContact CB-OD1 3.26Å; P106-D108 PolarHBondContact O-N 3.26Å; D108-P181 WeakPolarHBondContact O-CD 3.27Å
109I96.6Very high93.8Very high21 Ų2136.8 Ų36.811%0.10820%0.201CC..SBendtrans-57.8128.4173.3-67.1176.7000109.6P84 L105 P106 V111 G138 H140 A180P84-I109 HydrophobicContact CB-CG2 4.48Å; P84-I109 HydrophobicContact CG-CD1 4.11Å; P84-I109 HydrophobicContact CG-CG2 4.45Å; L105-I109 HydrophobicContact CB-CD1 4.38Å; P106-I109 HydrophobicContact CB-CD1 4.37Å; P106-I109 HydrophobicContact CB-CG1 4.1Å; P106-I109 HydrophobicContact CG-CD1 4.28Å; P106-I109 HydrophobicContact CG-CG1 4.43Å; I109-V111 PolarHBondContact O-N 3.25Å; I109-G138 WeakPolarHBondContact CG2-O 3.23Å; I109-H140 VanDerWaalsContact CG2-CD2 3.46Å; I109-H140 WeakPolarHBondContact CG2-CD2 3.4Å; I109-A180 VanDerWaalsContact O-CB 3.22Å; I109-A180 WeakPolarHBondContact O-CB 3.33Å
110P98.2Very high93.6Very high21 Ų2136.2 Ų36.214%0.13620%0.197CC..  trans-54139.8177.9-24.931.9000113.7Y139 H140 P181 F183 V333 L337P110-Y139 HydrophobicContact CB-CD1 3.65Å; P110-Y139 HydrophobicContact CB-CE1 4.06Å; P110-Y139 HydrophobicContact CB-CG 4.46Å; P110-Y139 HydrophobicContact CG-CD1 3.87Å; P110-Y139 HydrophobicContact CG-CE1 3.9Å; P110-Y139 WeakPolarHBondContact O-CA 3.44Å; P110-H140 PolarHBondContact O-N 3.18Å; P110-P181 WeakPolarHBondContact CA-O 3.28Å; P110-P181 HydrophobicContact CB-CG 3.95Å; P110-P181 HydrophobicContact CG-CG 3.83Å; P110-F183 HydrophobicContact CB-CD2 4.15Å; P110-F183 HydrophobicContact CB-CE2 3.99Å; P110-V333 HydrophobicContact CB-CG1 4.45Å; P110-V333 HydrophobicContact CG-CG1 4.11Å; P110-L337 HydrophobicContact CG-CD1 4.44Å
111V98.6Very high93.8Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-115.3119.7-179.6-173.50000109.8I109 H140 F142 V173 F177 A180 P181 I182 F183I109-V111 PolarHBondContact O-N 3.25Å; V111-H140 WeakPolarHBondContact CA-O 3.45Å; V111-H140 HydrophobicContact CB-CB 4.23Å; V111-H140 HydrophobicContact CG1-CB 4.03Å; V111-H140 HydrophobicContact CG2-CB 3.94Å; V111-F142 HydrophobicContact CG1-CD2 3.49Å; V111-F142 VanDerWaalsContact CG1-CD2 3.49Å; V111-F142 HydrophobicContact CG1-CE2 3.88Å; V111-V173 HydrophobicContact CB-CG1 4.41Å; V111-V173 HydrophobicContact CG1-CG1 3.72Å; V111-F177 HydrophobicContact CG2-CB 4.17Å; V111-F177 HydrophobicContact CG2-CD1 3.92Å; V111-F177 HydrophobicContact CG2-CD2 4.14Å; V111-F177 HydrophobicContact CG2-CE1 4.3Å; V111-F177 HydrophobicContact CG2-CG 3.82Å; V111-A180 HydrophobicContact CG2-CB 3.77Å; V111-P181 PolarHBondContact N-O 2.95Å; V111-I182 HydrophobicContact CB-CD1 3.76Å; V111-I182 HydrophobicContact CG1-CD1 4.42Å; V111-I182 HydrophobicContact CG2-CD1 4.11Å; V111-I182 CarbonylContact O-C 3.56Å; V111-I182 WeakPolarHBondContact O-CA 3.49Å; V111-F183 PolarHBondContact O-N 3.22Å
112F98.8Very high94.1Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-89.4133.8168-83.6-96.7000110.8L134 Y139 H140 V141 F142 F183 W185 I218 I329 V333F112-L134 HydrophobicContact CB-CD1 3.95Å; F112-L134 HydrophobicContact CD1-CD1 4.08Å; F112-L134 HydrophobicContact CD1-CD2 4.08Å; F112-L134 HydrophobicContact CD2-CD2 4.13Å; F112-L134 HydrophobicContact CE1-CD2 4.08Å; F112-L134 HydrophobicContact CE2-CD2 4.13Å; F112-L134 HydrophobicContact CG-CD1 3.98Å; F112-L134 HydrophobicContact CG-CD2 4.1Å; F112-L134 HydrophobicContact CZ-CD2 4.1Å; F112-Y139 AromaticContact CD2-CD2 3.87Å; F112-Y139 HydrophobicContact CD2-CD2 3.87Å; F112-Y139 AromaticContact CD2-CG 3.96Å; F112-Y139 HydrophobicContact CD2-CG 3.96Å; F112-Y139 AromaticContact CE2-CD2 3.52Å; F112-Y139 HydrophobicContact CE2-CD2 3.52Å; F112-Y139 AromaticContact CE2-CE2 3.93Å; F112-Y139 HydrophobicContact CE2-CE2 3.93Å; F112-Y139 AromaticContact CE2-CG 3.9Å; F112-Y139 HydrophobicContact CE2-CG 3.9Å; F112-H140 PolarHBondContact N-O 3.46Å; F112-V141 CarbonylContact O-C 3.57Å; F112-V141 WeakPolarHBondContact O-CA 3.2Å; F112-F142 PolarHBondContact O-N 3.32Å; F112-F183 CarbonylContact C-O 3.58Å; F112-F183 WeakPolarHBondContact CA-O 3.35Å; F112-F183 HydrophobicContact CD1-CB 3.66Å; F112-F183 HydrophobicContact CD2-CB 4.13Å; F112-F183 HydrophobicContact CE1-CB 3.54Å; F112-F183 HydrophobicContact CE1-CG 4.24Å; F112-F183 HydrophobicContact CE2-CB 4.02Å; F112-F183 HydrophobicContact CE2-CD2 4.34Å; F112-F183 HydrophobicContact CE2-CG 4.19Å; F112-F183 HydrophobicContact CG-CB 3.97Å; F112-F183 HydrophobicContact CZ-CB 3.73Å; F112-F183 HydrophobicContact CZ-CD1 4.34Å; F112-F183 AromaticContact CZ-CG 3.97Å; F112-F183 HydrophobicContact CZ-CG 3.97Å; F112-W185 HydrophobicContact CD1-CB 4.38Å; F112-W185 HydrophobicContact CE1-CE3 4.32Å; F112-I218 HydrophobicContact CE1-CD1 4.05Å; F112-I329 HydrophobicContact CZ-CG2 4.11Å; F112-V333 HydrophobicContact CE2-CG2 3.9Å; F112-V333 HydrophobicContact CZ-CG2 3.77Å
113I98.8Very high94.2Very high0 Ų031 Ų310%017%0.173CC..EExtended strand (participates in β ladder)trans-108119.5166.2-50.3-177.7000107.9F115 F142 F144 V169 V170 V173 I182 F183 F184 W185I113-F115 HydrophobicContact CB-CE2 3.94Å; I113-F115 HydrophobicContact CB-CZ 4Å; I113-F115 HydrophobicContact CG2-CE1 4.03Å; I113-F115 HydrophobicContact CG2-CE2 3.82Å; I113-F115 HydrophobicContact CG2-CZ 3.51Å; I113-F115 WeakPolarHBondContact O-CD2 3.14Å; I113-F115 VanDerWaalsContact O-CE2 3.29Å; I113-F115 WeakPolarHBondContact O-CE2 3.36Å; I113-F142 CarbonylContact C-O 3.54Å; I113-F142 WeakPolarHBondContact CA-O 3.29Å; I113-F142 HydrophobicContact CG1-CB 4.43Å; I113-F144 HydrophobicContact CG2-CE1 4.09Å; I113-V169 HydrophobicContact CG2-CG1 4.13Å; I113-V170 HydrophobicContact CD1-CB 4.46Å; I113-V170 HydrophobicContact CD1-CG2 3.94Å; I113-V173 HydrophobicContact CD1-CB 3.85Å; I113-V173 HydrophobicContact CD1-CG1 3.93Å; I113-V173 HydrophobicContact CD1-CG2 3.91Å; I113-V173 HydrophobicContact CG1-CG1 4.3Å; I113-V173 HydrophobicContact CG1-CG2 4.3Å; I113-I182 HydrophobicContact CD1-CG2 4Å; I113-I182 HydrophobicContact CG1-CG2 4.22Å; I113-F183 PolarHBondContact N-O 2.94Å; I113-F184 HydrophobicContact CB-CD1 4.19Å; I113-F184 HydrophobicContact CB-CE1 4.49Å; I113-F184 HydrophobicContact CD1-CD1 4.49Å; I113-F184 HydrophobicContact CD1-CE1 3.99Å; I113-F184 HydrophobicContact CG1-CE1 4.49Å; I113-W185 PolarHBondContact O-N 2.88Å
114Y98.8Very high94.3Very high1 Ų125.1 Ų25.10%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-97.8119.9-177.1-173-85.2000111.5H116 R127 I130 Y131 F142 W185 H187Y114-H116 HydrophobicContact CD1-CB 4.17Å; Y114-H116 HydrophobicContact CE1-CB 3.74Å; Y114-R127 HydrophobicContact CE1-CB 4.49Å; Y114-R127 HydrophobicContact CE1-CG 4.34Å; Y114-I130 HydrophobicContact CD2-CG2 3.95Å; Y114-I130 HydrophobicContact CE2-CB 4.16Å; Y114-I130 HydrophobicContact CE2-CD1 3.82Å; Y114-I130 HydrophobicContact CE2-CG2 3.66Å; Y114-I130 WeakPolarHBondContact OH-CD1 3.4Å; Y114-Y131 AromaticContact CD1-CE1 3.54Å; Y114-Y131 HydrophobicContact CD1-CE1 3.54Å; Y114-Y131 HydrophobicContact CD2-CD1 4.4Å; Y114-Y131 HydrophobicContact CD2-CE1 4.08Å; Y114-Y131 AromaticContact CE1-CE1 3.89Å; Y114-Y131 HydrophobicContact CE1-CE1 3.89Å; Y114-Y131 HydrophobicContact CE2-CE1 4.4Å; Y114-Y131 HydrophobicContact CG-CD1 4.23Å; Y114-Y131 AromaticContact CG-CE1 3.64Å; Y114-Y131 HydrophobicContact CG-CE1 3.64Å; Y114-F142 PolarHBondContact N-O 2.9Å; Y114-W185 CarbonylContact C-O 3.57Å; Y114-W185 WeakPolarHBondContact CA-O 3.17Å; Y114-W185 HydrophobicContact CD2-CB 3.94Å; Y114-W185 AromaticContact CD2-CD1 3.52Å; Y114-W185 AromaticContact CD2-CG 3.75Å; Y114-W185 HydrophobicContact CD2-CG 3.75Å; Y114-W185 AromaticContact CE2-CD1 3.27Å; Y114-W185 AromaticContact CE2-CG 3.93Å; Y114-W185 HydrophobicContact CE2-CG 3.93Å; Y114-W185 AromaticContact CE2-NE1 3.64Å; Y114-H187 VanDerWaalsContact OH-CB 3.29Å; Y114-H187 WeakPolarHBondContact OH-CB 3.5Å
115F98.7Very high94.5Very high0 Ų026.7 Ų26.70%015%0.151CC..EExtended strand (participates in β ladder)trans-103.4107.7178.4-56.2-86.7000108.9I113 F144 Y146 V170 F184 W185 H187 V193 V194 L197I113-F115 HydrophobicContact CB-CE2 3.94Å; I113-F115 HydrophobicContact CB-CZ 4Å; I113-F115 HydrophobicContact CG2-CE1 4.03Å; I113-F115 HydrophobicContact CG2-CE2 3.82Å; I113-F115 HydrophobicContact CG2-CZ 3.51Å; I113-F115 WeakPolarHBondContact O-CD2 3.14Å; I113-F115 VanDerWaalsContact O-CE2 3.29Å; I113-F115 WeakPolarHBondContact O-CE2 3.36Å; F115-F144 AromaticContact CD1-CE1 3.8Å; F115-F144 HydrophobicContact CD1-CE1 3.8Å; F115-F144 AromaticContact CD1-CZ 3.65Å; F115-F144 HydrophobicContact CD1-CZ 3.65Å; F115-F144 AromaticContact CE1-CE1 3.85Å; F115-F144 HydrophobicContact CE1-CE1 3.85Å; F115-F144 AromaticContact CE1-CZ 3.81Å; F115-F144 HydrophobicContact CE1-CZ 3.81Å; F115-Y146 WeakPolarHBondContact CB-OH 3.47Å; F115-V170 HydrophobicContact CZ-CG2 4.18Å; F115-F184 HydrophobicContact CD2-CB 4.34Å; F115-F184 HydrophobicContact CE2-CB 3.77Å; F115-F184 AromaticContact CE2-CD1 3.73Å; F115-F184 HydrophobicContact CE2-CD1 3.73Å; F115-F184 HydrophobicContact CE2-CD2 4.11Å; F115-F184 HydrophobicContact CE2-CE1 4.36Å; F115-F184 AromaticContact CE2-CG 3.61Å; F115-F184 HydrophobicContact CE2-CG 3.61Å; F115-F184 HydrophobicContact CZ-CD1 4.1Å; F115-F184 HydrophobicContact CZ-CD2 4.46Å; F115-F184 HydrophobicContact CZ-CE1 4.27Å; F115-F184 HydrophobicContact CZ-CG 4.22Å; F115-W185 PolarHBondContact N-O 2.68Å; F115-H187 PolarHBondContact O-N 2.65Å; F115-V193 HydrophobicContact CD1-CG1 4.33Å; F115-V194 HydrophobicContact CB-CG2 4.13Å; F115-V194 HydrophobicContact CD2-CG2 3.41Å; F115-V194 VanDerWaalsContact CD2-CG2 3.41Å; F115-V194 HydrophobicContact CE2-CG2 3.95Å; F115-V194 HydrophobicContact CG-CG2 3.8Å; F115-L197 HydrophobicContact CD1-CD1 4.3Å; F115-L197 HydrophobicContact CE1-CD1 3.54Å; F115-L197 HydrophobicContact CE2-CD1 4.46Å; F115-L197 HydrophobicContact CZ-CD1 3.62Å
116H97.7Very high94.6Very high1 Ų128.3 Ų28.31%0.00516%0.156CC..  trans-80.2156.5-168.872.584.2000114.1Y114 R127 F144 D145 Y146 Y149 H187 G190Y114-H116 HydrophobicContact CD1-CB 4.17Å; Y114-H116 HydrophobicContact CE1-CB 3.74Å; H116-R127 PolarHBondContact ND1-NH1 2.8Å; H116-F144 PolarHBondContact CD2-O 2.8Å; H116-D145 IonicContact CD2-OD1 2.86Å; H116-D145 IonicContact CE1-OD1 2.98Å; H116-D145 IonicContact NE2-OD1 4Å; H116-Y146 AromaticContact CD2-CD2 3.99Å; H116-Y146 AromaticContact CD2-CE2 3.75Å; H116-Y146 AromaticContact CE1-CD2 3.41Å; H116-Y146 VanDerWaalsContact CE1-CD2 3.41Å; H116-Y146 WeakPolarHBondContact CE1-CD2 3.35Å; H116-Y146 AromaticContact CE1-CE2 3.63Å; H116-Y146 AromaticContact NE2-CD2 3.2Å; H116-Y146 WeakPolarHBondContact NE2-CD2 3.07Å; H116-Y146 AromaticContact NE2-CE2 3.45Å; H116-Y146 WeakPolarHBondContact NE2-CE2 3.18Å; H116-Y146 AromaticContact NE2-CG 3.92Å; H116-Y146 PolarHBondContact NE2-N 3.18Å; H116-Y146 WeakPolarHBondContact O-CE2 3.46Å; H116-Y149 AromaticContact CE1-CG 3.98Å; H116-H187 CarbonylContact C-O 3.55Å; H116-G190 PolarHBondContact O-N 3.19Å
117G95.3Very high94.8Very high2 Ų225.3 Ų25.32%0.02114%0.137CC..  trans-70179173.800000114.5R127 H187G117-R127 PolarHBondContact O-NH2 3.46Å; G117-H187 WeakPolarHBondContact CA-O 3.24Å; G117-H187 PolarHBondContact N-O 3.01Å; G117-H187 VanDerWaalsContact N-O 3.1Å
118N92.3Very high95.1Very high45 Ų4520.7 Ų20.724%0.24111%0.112CC..SBendtrans-63.8157176.2-170.713.2000111.9V36 K38 R127 Y149 L189V36-N118 VanDerWaalsContact O-CG 3.26Å; V36-N118 PolarHBondContact O-ND2 3.14Å; V36-N118 PolarHBondContact O-OD1 3.01Å; K38-N118 PolarHBondContact N-OD1 3.49Å; N118-R127 PolarHBondContact O-NH2 3.27Å; N118-Y149 PolarHBondContact OD1-OH 2.99Å; N118-L189 HydrophobicContact CB-CB 4.12Å; N118-L189 HydrophobicContact CB-CD2 4.04Å
119S87Confident95.3Very high32 Ų3218.6 Ų18.622%0.22410%0.101CC..SBendtrans68.9156.3-179.778.80000117K38 R127K38-S119 WeakPolarHBondContact O-CA 3.15Å; S119-R127 PolarHBondContact O-NH1 2.8Å; S119-R127 PolarHBondContact O-NH2 2.92Å
120K86.9Confident95.3Very high78 Ų7817.7 Ų17.734%0.33910%0.096SC..SBendtrans63.4-139.1168.3-52.9-176.4-174.4-174.10112.6I124 W126 Y149K120-I124 HydrophobicContact CB-CD1 3.89Å; K120-I124 HydrophobicContact CD-CD1 2.99Å; K120-I124 HydrophobicContact CD-CG1 4.43Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; K120-W126 HydrophobicContact CD-CH2 4.16Å; K120-Y149 WeakPolarHBondContact O-CD1 3.43Å
121S92.7Very high95.3Very high0 Ų016.7 Ų16.70%09%0.089CC..  trans-149.4173.2-175.266.80000112.8Y50 A123 I124 R127 D145Y50-S121 VanDerWaalsContact OH-CB 3.3Å; Y50-S121 WeakPolarHBondContact OH-CB 3.48Å; Y50-S121 PolarHBondContact OH-OG 3.17Å; Y50-S121 VanDerWaalsContact OH-OG 3.1Å; S121-A123 PolarHBondContact O-N 3.48Å; S121-A123 VanDerWaalsContact O-N 3.11Å; S121-I124 WeakPolarHBondContact O-CG2 3.26Å; S121-I124 PolarHBondContact O-N 2.93Å; S121-R127 PolarHBondContact O-NH1 2.88Å; S121-D145 WeakPolarHBondContact CA-OD1 3.5Å; S121-D145 WeakPolarHBondContact CB-OD2 3.48Å
122R95Very high95.3Very high0 Ų020.4 Ų20.40%011%0.106CC..THydrogen-bonded Turntrans-54.9-25.8175.872.1-169175.4-88.47.9113.1Y50 N65 W80 I124 Y131 D145 D151Y50-R122 VanDerWaalsContact CD1-CZ 3.49Å; N65-R122 PolarHBondContact OD1-NH2 2.91Å; N65-R122 VanDerWaalsContact OD1-NH2 3.1Å; W80-R122 VanDerWaalsContact CD1-NE 3.27Å; W80-R122 HydrophobicContact CD2-CG 4.03Å; W80-R122 HydrophobicContact CE3-CG 4.17Å; W80-R122 HydrophobicContact CH2-CG 4.42Å; W80-R122 HydrophobicContact CZ2-CG 4.25Å; W80-R122 HydrophobicContact CZ3-CG 4.37Å; W80-R122 VanDerWaalsContact NE1-NE 3.15Å; R122-I124 VanDerWaalsContact C-N 3.31Å; R122-I124 PolarHBondContact O-N 3.16Å; R122-Y131 VanDerWaalsContact O-CE2 3.24Å; R122-Y131 WeakPolarHBondContact O-CE2 3.48Å; R122-Y131 PolarHBondContact O-OH 2.95Å; R122-D145 VanDerWaalsContact CG-OD2 3.23Å; R122-D145 WeakPolarHBondContact CG-OD2 3.43Å; R122-D145 IonicContact CZ-OD2 3.01Å; R122-D145 VanDerWaalsContact N-CG 3.33Å; R122-D145 PolarHBondContact N-OD1 2.78Å; R122-D145 PolarHBondContact N-OD2 2.96Å; R122-D145 VanDerWaalsContact N-OD2 3.09Å; R122-D145 IonicContact NE-OD2 3.46Å; R122-D145 IonicContact NH1-OD2 2.71Å; R122-D145 PolarHBondContact NH1-OD2 2.86Å; R122-D151 IonicContact CZ-OD1 3.28Å; R122-D151 IonicContact CZ-OD2 3.82Å; R122-D151 IonicContact NH1-OD1 3.06Å; R122-D151 PolarHBondContact NH1-OD1 3.48Å; R122-D151 VanDerWaalsContact NH2-CG 3.3Å; R122-D151 IonicContact NH2-OD1 3.8Å; R122-D151 PolarHBondContact NH2-OD1 3.28Å; R122-D151 IonicContact NH2-OD2 2.87Å; R122-D151 PolarHBondContact NH2-OD2 2.84Å
123A94.6Very high95.2Very high1 Ų121.4 Ų21.41%0.00811%0.111CC..THydrogen-bonded Turntrans-81.14.3-174.900000115.6V49 Y50 V56 W80 S121V49-A123 HydrophobicContact CB-CB 4.22Å; V49-A123 HydrophobicContact CG2-CB 3.74Å; Y50-A123 HydrophobicContact CD1-CB 4.29Å; Y50-A123 HydrophobicContact CE1-CB 3.95Å; V56-A123 HydrophobicContact CG1-CB 4.25Å; W80-A123 HydrophobicContact CH2-CB 3.58Å; W80-A123 HydrophobicContact CZ2-CB 4Å; S121-A123 PolarHBondContact O-N 3.48Å; S121-A123 VanDerWaalsContact O-N 3.11Å
124I92.6Very high95.2Very high4 Ų421.4 Ų21.42%0.02111%0.111CC..SBendtrans-78.4142.2-176.5-162.9159.4000113.1K120 S121 R122 W126 R127 V128K120-I124 HydrophobicContact CB-CD1 3.89Å; K120-I124 HydrophobicContact CD-CD1 2.99Å; K120-I124 HydrophobicContact CD-CG1 4.43Å; K120-I124 HydrophobicContact CG-CD1 4.06Å; S121-I124 WeakPolarHBondContact O-CG2 3.26Å; S121-I124 PolarHBondContact O-N 2.93Å; R122-I124 VanDerWaalsContact C-N 3.31Å; R122-I124 PolarHBondContact O-N 3.16Å; I124-W126 HydrophobicContact CD1-CD2 4.3Å; I124-W126 HydrophobicContact CD1-CE3 3.92Å; I124-W126 HydrophobicContact CD1-CH2 3.12Å; I124-W126 HydrophobicContact CD1-CZ2 3.49Å; I124-W126 VanDerWaalsContact CD1-CZ2 3.49Å; I124-W126 HydrophobicContact CD1-CZ3 3.32Å; I124-W126 HydrophobicContact CG1-CD2 4.11Å; I124-W126 HydrophobicContact CG1-CE3 3.76Å; I124-W126 HydrophobicContact CG1-CH2 3.91Å; I124-W126 HydrophobicContact CG1-CZ2 4.18Å; I124-W126 HydrophobicContact CG1-CZ3 3.65Å; I124-W126 HydrophobicContact CG2-CD2 4.04Å; I124-W126 HydrophobicContact CG2-CG 4.48Å; I124-W126 HydrophobicContact CG2-CZ2 4.16Å; I124-W126 PolarHBondContact O-N 3.47Å; I124-W126 VanDerWaalsContact O-N 3.15Å; I124-R127 HydrophobicContact CG2-CB 3.85Å; I124-R127 VanDerWaalsContact CG2-CD 3.48Å; I124-R127 HydrophobicContact CG2-CG 3.43Å; I124-R127 VanDerWaalsContact CG2-CG 3.43Å; I124-R127 PolarHBondContact O-N 3.43Å; I124-V128 WeakPolarHBondContact O-CG2 3.25Å; I124-V128 PolarHBondContact O-N 2.69Å
125P94.1Very high95.1Very high78 Ų7821.6 Ų21.651%0.50611%0.112SC..Hα-helixtrans-52.3-45.1-167.4-33.938.4000116.3R127 V128 N129P125-R127 VanDerWaalsContact C-N 3.32Å; P125-R127 PolarHBondContact O-N 3.46Å; P125-V128 PolarHBondContact O-N 2.75Å; P125-N129 PolarHBondContact O-N 3.41Å; P125-N129 PolarHBondContact O-ND2 2.81Å; P125-N129 PolarHBondContact O-OD1 3.31Å
126W94.2Very high95Very high40 Ų4024.5 Ų24.515%0.15213%0.133CC..Hα-helixtrans-69.6-28.5-178.163.586.8000113.5K120 I124 I130 N317 F318K120-W126 HydrophobicContact CD-CH2 4.16Å; I124-W126 HydrophobicContact CD1-CD2 4.3Å; I124-W126 HydrophobicContact CD1-CE3 3.92Å; I124-W126 HydrophobicContact CD1-CH2 3.12Å; I124-W126 HydrophobicContact CD1-CZ2 3.49Å; I124-W126 VanDerWaalsContact CD1-CZ2 3.49Å; I124-W126 HydrophobicContact CD1-CZ3 3.32Å; I124-W126 HydrophobicContact CG1-CD2 4.11Å; I124-W126 HydrophobicContact CG1-CE3 3.76Å; I124-W126 HydrophobicContact CG1-CH2 3.91Å; I124-W126 HydrophobicContact CG1-CZ2 4.18Å; I124-W126 HydrophobicContact CG1-CZ3 3.65Å; I124-W126 HydrophobicContact CG2-CD2 4.04Å; I124-W126 HydrophobicContact CG2-CG 4.48Å; I124-W126 HydrophobicContact CG2-CZ2 4.16Å; I124-W126 PolarHBondContact O-N 3.47Å; I124-W126 VanDerWaalsContact O-N 3.15Å; W126-I130 PolarHBondContact O-N 2.79Å; W126-N317 HydrophobicContact CB-CB 4.27Å; W126-N317 HydrophobicContact CD2-CB 4.12Å; W126-N317 HydrophobicContact CG-CB 3.85Å; W126-N317 PolarHBondContact NE1-OD1 2.96Å; W126-F318 HydrophobicContact CB-CE1 4.38Å
127R96.3Very high94.9Very high3 Ų326.2 Ų26.21%0.01114%0.142CC..Hα-helixtrans-74.4-44.1172.8-61.4-179-172.8161-3.8110Y114 H116 G117 N118 S119 S121 I124 P125 N129 I130 Y131Y114-R127 HydrophobicContact CE1-CB 4.49Å; Y114-R127 HydrophobicContact CE1-CG 4.34Å; H116-R127 PolarHBondContact ND1-NH1 2.8Å; G117-R127 PolarHBondContact O-NH2 3.46Å; N118-R127 PolarHBondContact O-NH2 3.27Å; S119-R127 PolarHBondContact O-NH1 2.8Å; S119-R127 PolarHBondContact O-NH2 2.92Å; S121-R127 PolarHBondContact O-NH1 2.88Å; I124-R127 HydrophobicContact CG2-CB 3.85Å; I124-R127 VanDerWaalsContact CG2-CD 3.48Å; I124-R127 HydrophobicContact CG2-CG 3.43Å; I124-R127 VanDerWaalsContact CG2-CG 3.43Å; I124-R127 PolarHBondContact O-N 3.43Å; P125-R127 VanDerWaalsContact C-N 3.32Å; P125-R127 PolarHBondContact O-N 3.46Å; R127-N129 PolarHBondContact O-N 3.2Å; R127-I130 WeakPolarHBondContact O-CB 3.08Å; R127-I130 PolarHBondContact O-N 2.85Å; R127-Y131 HydrophobicContact CB-CE1 4.09Å; R127-Y131 HydrophobicContact CB-CE2 4.35Å; R127-Y131 VanDerWaalsContact CB-OH 3.32Å; R127-Y131 WeakPolarHBondContact CB-OH 3.4Å; R127-Y131 WeakPolarHBondContact O-CD1 3.41Å; R127-Y131 VanDerWaalsContact O-CE1 3.23Å; R127-Y131 WeakPolarHBondContact O-CE1 3.47Å; R127-Y131 PolarHBondContact O-N 3.34Å; R127-Y131 VanDerWaalsContact O-N 3.1Å
128V96.7Very high95Very high1 Ų126.5 Ų26.51%0.00615%0.145CC..Hα-helixtrans-56-40.2174.6174.90000111.6V56 I58 W80 I124 P125 I130 Y131 K132V56-V128 HydrophobicContact CB-CG2 4.33Å; V56-V128 WeakPolarHBondContact O-CG1 3.37Å; I58-V128 HydrophobicContact CD1-CG1 3.74Å; I58-V128 HydrophobicContact CG1-CG1 3.75Å; W80-V128 HydrophobicContact CZ3-CG2 4.15Å; I124-V128 WeakPolarHBondContact O-CG2 3.25Å; I124-V128 PolarHBondContact O-N 2.69Å; P125-V128 PolarHBondContact O-N 2.75Å; V128-I130 VanDerWaalsContact C-N 3.32Å; V128-I130 PolarHBondContact O-N 2.81Å; V128-Y131 HydrophobicContact CB-CD2 4.48Å; V128-Y131 HydrophobicContact CG2-CD2 4.39Å; V128-Y131 HydrophobicContact CG2-CE2 4.23Å; V128-Y131 PolarHBondContact O-N 3.11Å; V128-Y131 VanDerWaalsContact O-N 3.16Å; V128-K132 HydrophobicContact CG1-CD 4Å; V128-K132 HydrophobicContact CG1-CG 4.34Å; V128-K132 WeakPolarHBondContact O-CG 3.36Å; V128-K132 PolarHBondContact O-N 3.33Å
129N97.1Very high95.2Very high62 Ų6225.2 Ų25.233%0.33214%0.137SC..Hα-helixtrans-63-35.6175.7-70.9-16.2000113.1P125 R127 K132 L133 H320P125-N129 PolarHBondContact O-N 3.41Å; P125-N129 PolarHBondContact O-ND2 2.81Å; P125-N129 PolarHBondContact O-OD1 3.31Å; R127-N129 PolarHBondContact O-N 3.2Å; N129-K132 PolarHBondContact O-N 2.78Å; N129-L133 WeakPolarHBondContact O-CB 3.4Å; N129-L133 PolarHBondContact O-N 3.1Å; N129-H320 WeakPolarHBondContact CB-CD2 3.35Å; N129-H320 WeakPolarHBondContact CB-NE2 3.46Å; N129-H320 PolarHBondContact ND2-NE2 2.81Å
130I97.8Very high95.8Very high2 Ų223.8 Ų23.81%0.0113%0.126CC..Hα-helixtrans-65.2-43173-65.6164.1000110.3Y114 W126 R127 V128 K132 L133 L134 W185 H320Y114-I130 HydrophobicContact CD2-CG2 3.95Å; Y114-I130 HydrophobicContact CE2-CB 4.16Å; Y114-I130 HydrophobicContact CE2-CD1 3.82Å; Y114-I130 HydrophobicContact CE2-CG2 3.66Å; Y114-I130 WeakPolarHBondContact OH-CD1 3.4Å; W126-I130 PolarHBondContact O-N 2.79Å; R127-I130 WeakPolarHBondContact O-CB 3.08Å; R127-I130 PolarHBondContact O-N 2.85Å; V128-I130 VanDerWaalsContact C-N 3.32Å; V128-I130 PolarHBondContact O-N 2.81Å; I130-K132 VanDerWaalsContact C-N 3.3Å; I130-K132 PolarHBondContact O-N 2.98Å; I130-L133 WeakPolarHBondContact O-CB 3.29Å; I130-L133 PolarHBondContact O-N 2.69Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.4Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.09Å; I130-W185 HydrophobicContact CG2-CD2 4.41Å; I130-W185 HydrophobicContact CG2-CZ2 4.39Å; I130-H320 HydrophobicContact CG1-CB 3.59Å
131Y98.1Very high96.3Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-63.4-41.3179-40.8-29.1000111.2W80 I82 Y114 R122 R127 V128 L134 S135 V141 C143W80-Y131 HydrophobicContact CE3-CD2 4.45Å; W80-Y131 HydrophobicContact CE3-CE2 4.21Å; W80-Y131 HydrophobicContact CZ3-CE2 4.24Å; I82-Y131 HydrophobicContact CG1-CD2 4.48Å; Y114-Y131 AromaticContact CD1-CE1 3.54Å; Y114-Y131 HydrophobicContact CD1-CE1 3.54Å; Y114-Y131 HydrophobicContact CD2-CD1 4.4Å; Y114-Y131 HydrophobicContact CD2-CE1 4.08Å; Y114-Y131 AromaticContact CE1-CE1 3.89Å; Y114-Y131 HydrophobicContact CE1-CE1 3.89Å; Y114-Y131 HydrophobicContact CE2-CE1 4.4Å; Y114-Y131 HydrophobicContact CG-CD1 4.23Å; Y114-Y131 AromaticContact CG-CE1 3.64Å; Y114-Y131 HydrophobicContact CG-CE1 3.64Å; R122-Y131 VanDerWaalsContact O-CE2 3.24Å; R122-Y131 WeakPolarHBondContact O-CE2 3.48Å; R122-Y131 PolarHBondContact O-OH 2.95Å; R127-Y131 HydrophobicContact CB-CE1 4.09Å; R127-Y131 HydrophobicContact CB-CE2 4.35Å; R127-Y131 VanDerWaalsContact CB-OH 3.32Å; R127-Y131 WeakPolarHBondContact CB-OH 3.4Å; R127-Y131 WeakPolarHBondContact O-CD1 3.41Å; R127-Y131 VanDerWaalsContact O-CE1 3.23Å; R127-Y131 WeakPolarHBondContact O-CE1 3.47Å; R127-Y131 PolarHBondContact O-N 3.34Å; R127-Y131 VanDerWaalsContact O-N 3.1Å; V128-Y131 HydrophobicContact CB-CD2 4.48Å; V128-Y131 HydrophobicContact CG2-CD2 4.39Å; V128-Y131 HydrophobicContact CG2-CE2 4.23Å; V128-Y131 PolarHBondContact O-N 3.11Å; V128-Y131 VanDerWaalsContact O-N 3.16Å; Y131-L134 PolarHBondContact O-N 2.79Å; Y131-S135 WeakPolarHBondContact O-CB 3.32Å; Y131-S135 PolarHBondContact O-N 3.49Å; Y131-V141 HydrophobicContact CD1-CG1 4.23Å; Y131-V141 HydrophobicContact CG-CG1 4.47Å; Y131-C143 HydrophobicContact CD1-CB 4.22Å; Y131-C143 HydrophobicContact CE1-CB 3.72Å; Y131-C143 HydrophobicContact CE2-CB 4.03Å; Y131-C143 WeakPolarHBondContact CE2-SG 3.4Å
132K97Very high96.6Very high78 Ų7820 Ų2034%0.33911%0.11SC..Hα-helixtrans-64-41.6175.9-71.6175.263.1169.10111.9N57 I58 V128 N129 I130 S135 S136N57-K132 WeakPolarHBondContact O-CD 3.41Å; N57-K132 WeakPolarHBondContact O-CE 3.48Å; N57-K132 PolarHBondContact O-NZ 2.91Å; I58-K132 HydrophobicContact CG1-CD 4.4Å; I58-K132 HydrophobicContact CG1-CG 4.28Å; V128-K132 HydrophobicContact CG1-CD 4Å; V128-K132 HydrophobicContact CG1-CG 4.34Å; V128-K132 WeakPolarHBondContact O-CG 3.36Å; V128-K132 PolarHBondContact O-N 3.33Å; N129-K132 PolarHBondContact O-N 2.78Å; I130-K132 VanDerWaalsContact C-N 3.3Å; I130-K132 PolarHBondContact O-N 2.98Å; K132-S135 PolarHBondContact O-N 2.89Å; K132-S136 VanDerWaalsContact O-CB 3.29Å; K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.1Å; K132-S136 PolarHBondContact O-OG 2.78Å
133L97.4Very high96.8Very high22 Ų2220 Ų2012%0.11511%0.11CC..Hα-helixtrans-57.6-55.3174170.260.2000110.5N129 I130 S135 S136 L137 L325 P326 I329N129-L133 WeakPolarHBondContact O-CB 3.4Å; N129-L133 PolarHBondContact O-N 3.1Å; I130-L133 WeakPolarHBondContact O-CB 3.29Å; I130-L133 PolarHBondContact O-N 2.69Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.64Å; L133-S136 PolarHBondContact O-N 2.86Å; L133-S136 VanDerWaalsContact O-N 3.12Å; L133-S136 PolarHBondContact O-OG 2.88Å; L133-L137 HydrophobicContact CD1-CD1 4.35Å; L133-L137 HydrophobicContact CD1-CG 4.5Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.89Å; L133-L137 VanDerWaalsContact O-N 3.13Å; L133-L325 HydrophobicContact CD2-CD2 3.57Å; L133-L325 HydrophobicContact CD2-CG 4.09Å; L133-P326 HydrophobicContact CD1-CB 4.35Å; L133-P326 HydrophobicContact CD1-CG 3.89Å; L133-I329 HydrophobicContact CD2-CD1 3.88Å; L133-I329 HydrophobicContact CG-CD1 4.29Å
134L98.3Very high96.9Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-60.9-41.8179.8-66.7172.1000112.4F112 I130 Y131 S136 L137 Y139 V141 W185 I329F112-L134 HydrophobicContact CB-CD1 3.95Å; F112-L134 HydrophobicContact CD1-CD1 4.08Å; F112-L134 HydrophobicContact CD1-CD2 4.08Å; F112-L134 HydrophobicContact CD2-CD2 4.13Å; F112-L134 HydrophobicContact CE1-CD2 4.08Å; F112-L134 HydrophobicContact CE2-CD2 4.13Å; F112-L134 HydrophobicContact CG-CD1 3.98Å; F112-L134 HydrophobicContact CG-CD2 4.1Å; F112-L134 HydrophobicContact CZ-CD2 4.1Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.4Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.09Å; Y131-L134 PolarHBondContact O-N 2.79Å; L134-S136 VanDerWaalsContact C-N 3.35Å; L134-S136 PolarHBondContact O-N 2.87Å; L134-L137 PolarHBondContact O-N 3.49Å; L134-Y139 HydrophobicContact CD2-CD2 4.5Å; L134-Y139 WeakPolarHBondContact O-CD2 3.4Å; L134-Y139 PolarHBondContact O-N 2.94Å; L134-V141 HydrophobicContact CB-CG2 3.52Å; L134-V141 HydrophobicContact CD1-CG1 4.25Å; L134-V141 HydrophobicContact CD1-CG2 4.32Å; L134-W185 HydrophobicContact CD1-CE3 4.31Å; L134-W185 HydrophobicContact CD2-CE3 4.17Å; L134-W185 HydrophobicContact CD2-CZ3 4.15Å; L134-I329 HydrophobicContact CD2-CD1 4.13Å; L134-I329 HydrophobicContact CD2-CG2 4Å
135S97.2Very high97.2Very high4 Ų419.9 Ų19.93%0.02811%0.109CC..Hα-helixtrans-60.5-42.4174.1167.90000111.9L83 P84 S85 Y131 K132 L133 L137 G138L83-S135 WeakPolarHBondContact O-CB 3.45Å; L83-S135 PolarHBondContact O-OG 3.01Å; P84-S135 CarbonylContact C-O 3.47Å; S85-S135 VanDerWaalsContact CB-OG 3.28Å; S85-S135 WeakPolarHBondContact CB-OG 3.42Å; S85-S135 PolarHBondContact N-O 3.06Å; S85-S135 PolarHBondContact N-OG 3.09Å; S85-S135 PolarHBondContact OG-O 2.97Å; S85-S135 PolarHBondContact OG-OG 3.16Å; Y131-S135 WeakPolarHBondContact O-CB 3.32Å; Y131-S135 PolarHBondContact O-N 3.49Å; K132-S135 PolarHBondContact O-N 2.89Å; L133-S135 VanDerWaalsContact C-N 3.34Å; L133-S135 PolarHBondContact O-N 2.64Å; S135-L137 PolarHBondContact O-N 2.98Å; S135-G138 WeakPolarHBondContact O-CA 3.3Å; S135-G138 PolarHBondContact O-N 3.42Å
136S95.8Very high97.3Very high61 Ų6116.1 Ų16.143%0.4279%0.085SC..Hα-helixtrans-67.9-23.1179.3720000113.4S85 K132 L133 L134 G138S85-S136 WeakPolarHBondContact OG-CA 3.47Å; S85-S136 PolarHBondContact OG-N 2.98Å; K132-S136 VanDerWaalsContact O-CB 3.29Å; K132-S136 WeakPolarHBondContact O-CB 3.41Å; K132-S136 PolarHBondContact O-N 3.1Å; K132-S136 PolarHBondContact O-OG 2.78Å; L133-S136 PolarHBondContact O-N 2.86Å; L133-S136 VanDerWaalsContact O-N 3.12Å; L133-S136 PolarHBondContact O-OG 2.88Å; L134-S136 VanDerWaalsContact C-N 3.35Å; L134-S136 PolarHBondContact O-N 2.87Å; S136-G138 PolarHBondContact O-N 2.81Å
137L96.9Very high97.3Very high37 Ų3714.3 Ų14.319%0.1948%0.078CC..THydrogen-bonded Turntrans-80.2-1.3170.5-62.4176.1000113L133 L134 S135 Y139 P326 I329L133-L137 HydrophobicContact CD1-CD1 4.35Å; L133-L137 HydrophobicContact CD1-CG 4.5Å; L133-L137 WeakPolarHBondContact O-CG 3.42Å; L133-L137 PolarHBondContact O-N 2.89Å; L133-L137 VanDerWaalsContact O-N 3.13Å; L134-L137 PolarHBondContact O-N 3.49Å; S135-L137 PolarHBondContact O-N 2.98Å; L137-Y139 HydrophobicContact CB-CD2 3.79Å; L137-Y139 HydrophobicContact CB-CE2 3.49Å; L137-Y139 VanDerWaalsContact CB-CE2 3.49Å; L137-Y139 HydrophobicContact CD1-CE2 4.1Å; L137-Y139 HydrophobicContact CG-CE2 4.45Å; L137-P326 HydrophobicContact CD2-CB 4.14Å; L137-I329 HydrophobicContact CD1-CB 3.87Å; L137-I329 HydrophobicContact CD1-CD1 4.18Å; L137-I329 HydrophobicContact CD1-CG2 3.71Å
138G96.3Very high97.1Very high9 Ų915.2 Ų15.29%0.0939%0.088CC..THydrogen-bonded Turntrans87.925.9176.400000115.3P84 N86 I109 S135 S136P84-G138 VanDerWaalsContact CB-O 3.3Å; P84-G138 WeakPolarHBondContact CB-O 3.5Å; N86-G138 WeakPolarHBondContact ND2-CA 3.49Å; N86-G138 PolarHBondContact ND2-N 3.45Å; N86-G138 WeakPolarHBondContact OD1-CA 3.42Å; I109-G138 WeakPolarHBondContact CG2-O 3.23Å; S135-G138 WeakPolarHBondContact O-CA 3.3Å; S135-G138 PolarHBondContact O-N 3.42Å; S136-G138 PolarHBondContact O-N 2.81Å
139Y97.8Very high97Very high18 Ų1815.2 Ų15.27%0.0719%0.088CC..  trans-104.6148.5177.5-50.2-47.6000112P84 P110 F112 L134 L137 I329 V333P84-Y139 WeakPolarHBondContact CA-O 3.2Å; P110-Y139 HydrophobicContact CB-CD1 3.65Å; P110-Y139 HydrophobicContact CB-CE1 4.06Å; P110-Y139 HydrophobicContact CB-CG 4.46Å; P110-Y139 HydrophobicContact CG-CD1 3.87Å; P110-Y139 HydrophobicContact CG-CE1 3.9Å; P110-Y139 WeakPolarHBondContact O-CA 3.44Å; F112-Y139 AromaticContact CD2-CD2 3.87Å; F112-Y139 HydrophobicContact CD2-CD2 3.87Å; F112-Y139 AromaticContact CD2-CG 3.96Å; F112-Y139 HydrophobicContact CD2-CG 3.96Å; F112-Y139 AromaticContact CE2-CD2 3.52Å; F112-Y139 HydrophobicContact CE2-CD2 3.52Å; F112-Y139 AromaticContact CE2-CE2 3.93Å; F112-Y139 HydrophobicContact CE2-CE2 3.93Å; F112-Y139 AromaticContact CE2-CG 3.9Å; F112-Y139 HydrophobicContact CE2-CG 3.9Å; L134-Y139 HydrophobicContact CD2-CD2 4.5Å; L134-Y139 WeakPolarHBondContact O-CD2 3.4Å; L134-Y139 PolarHBondContact O-N 2.94Å; L137-Y139 HydrophobicContact CB-CD2 3.79Å; L137-Y139 HydrophobicContact CB-CE2 3.49Å; L137-Y139 VanDerWaalsContact CB-CE2 3.49Å; L137-Y139 HydrophobicContact CD1-CE2 4.1Å; L137-Y139 HydrophobicContact CG-CE2 4.45Å; Y139-I329 HydrophobicContact CE2-CG2 4.04Å; Y139-V333 HydrophobicContact CE1-CG1 4.12Å; Y139-V333 HydrophobicContact CE2-CG2 4.24Å
140H98.1Very high96.8Very high1 Ų113.2 Ų13.21%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-69.3140.6162.5-71.4-75.8000109.3H81 P84 I109 P110 V111 F112 F177H81-H140 AromaticContact CE1-CE1 3.9Å; H81-H140 AromaticContact CE1-ND1 3.26Å; H81-H140 PolarHBondContact CE1-ND1 3.32Å; H81-H140 VanDerWaalsContact CE1-ND1 3.26Å; H81-H140 AromaticContact NE2-CE1 3.85Å; H81-H140 AromaticContact NE2-CG 3.49Å; H81-H140 AromaticContact NE2-ND1 2.82Å; H81-H140 PolarHBondContact NE2-ND1 3.14Å; P84-H140 WeakPolarHBondContact CD-ND1 3.36Å; I109-H140 VanDerWaalsContact CG2-CD2 3.46Å; I109-H140 WeakPolarHBondContact CG2-CD2 3.4Å; P110-H140 PolarHBondContact O-N 3.18Å; V111-H140 WeakPolarHBondContact CA-O 3.45Å; V111-H140 HydrophobicContact CB-CB 4.23Å; V111-H140 HydrophobicContact CG1-CB 4.03Å; V111-H140 HydrophobicContact CG2-CB 3.94Å; F112-H140 PolarHBondContact N-O 3.46Å; H140-F177 AromaticContact CD2-CE1 3.78Å; H140-F177 AromaticContact CE1-CE1 4Å; H140-F177 AromaticContact NE2-CE1 3.74Å
141V98.6Very high96.5Very high0 Ų015 Ų150%09%0.092CC..EExtended strand (participates in β ladder)trans-128115.6176.9-168.10000110.4H81 I82 F112 Y131 L134H81-V141 CarbonylContact C-O 3.51Å; H81-V141 WeakPolarHBondContact CA-O 3.27Å; I82-V141 HydrophobicContact CB-CB 4.05Å; I82-V141 HydrophobicContact CG1-CB 4.34Å; I82-V141 PolarHBondContact N-O 3.21Å; I82-V141 PolarHBondContact O-N 3.36Å; F112-V141 CarbonylContact O-C 3.57Å; F112-V141 WeakPolarHBondContact O-CA 3.2Å; Y131-V141 HydrophobicContact CD1-CG1 4.23Å; Y131-V141 HydrophobicContact CG-CG1 4.47Å; L134-V141 HydrophobicContact CB-CG2 3.52Å; L134-V141 HydrophobicContact CD1-CG1 4.25Å; L134-V141 HydrophobicContact CD1-CG2 4.32Å
142F98.7Very high96.4Very high0 Ų015.4 Ų15.40%010%0.095CC..EExtended strand (participates in β ladder)trans-95.2122.7167.3-76.5-95.4000109.3F66 V79 W80 H81 V111 F112 I113 Y114 F172 V173 F177F66-F142 HydrophobicContact CE1-CD1 4.49Å; F66-F142 HydrophobicContact CE1-CE1 4.08Å; F66-F142 HydrophobicContact CZ-CD1 4.15Å; F66-F142 AromaticContact CZ-CE1 3.8Å; F66-F142 HydrophobicContact CZ-CE1 3.8Å; V79-F142 HydrophobicContact CG1-CD1 4.11Å; W80-F142 WeakPolarHBondContact O-CA 3.35Å; H81-F142 HydrophobicContact CB-CD1 4.2Å; H81-F142 HydrophobicContact CB-CE1 3.68Å; H81-F142 HydrophobicContact CB-CE2 4.43Å; H81-F142 HydrophobicContact CB-CZ 3.79Å; H81-F142 AromaticContact CD2-CD2 3.91Å; H81-F142 AromaticContact CD2-CE2 3.37Å; H81-F142 WeakPolarHBondContact CD2-CE2 3.27Å; H81-F142 AromaticContact CD2-CZ 3.53Å; H81-F142 AromaticContact CE1-CZ 3.93Å; H81-F142 AromaticContact CG-CE1 3.84Å; H81-F142 AromaticContact CG-CE2 3.77Å; H81-F142 AromaticContact CG-CZ 3.39Å; H81-F142 AromaticContact ND1-CZ 3.65Å; H81-F142 AromaticContact NE2-CE2 3.59Å; H81-F142 AromaticContact NE2-CZ 3.89Å; V111-F142 HydrophobicContact CG1-CD2 3.49Å; V111-F142 VanDerWaalsContact CG1-CD2 3.49Å; V111-F142 HydrophobicContact CG1-CE2 3.88Å; F112-F142 PolarHBondContact O-N 3.32Å; I113-F142 CarbonylContact C-O 3.54Å; I113-F142 WeakPolarHBondContact CA-O 3.29Å; I113-F142 HydrophobicContact CG1-CB 4.43Å; Y114-F142 PolarHBondContact N-O 2.9Å; F142-F172 HydrophobicContact CE1-CD1 4.35Å; F142-F172 AromaticContact CE1-CE1 3.91Å; F142-F172 HydrophobicContact CE1-CE1 3.91Å; F142-V173 HydrophobicContact CB-CG2 3.99Å; F142-V173 HydrophobicContact CD1-CG2 3.7Å; F142-V173 HydrophobicContact CD2-CG1 4.37Å; F142-V173 HydrophobicContact CD2-CG2 3.75Å; F142-V173 HydrophobicContact CE1-CG2 4.14Å; F142-V173 HydrophobicContact CE2-CG2 4.19Å; F142-V173 HydrophobicContact CG-CG2 3.49Å; F142-V173 VanDerWaalsContact CG-CG2 3.49Å; F142-V173 HydrophobicContact CZ-CG2 4.38Å; F142-F177 HydrophobicContact CE2-CD2 4.2Å; F142-F177 AromaticContact CE2-CE2 3.39Å; F142-F177 HydrophobicContact CE2-CE2 3.39Å; F142-F177 AromaticContact CE2-CZ 3.97Å; F142-F177 HydrophobicContact CE2-CZ 3.97Å; F142-F177 HydrophobicContact CZ-CD2 4.48Å; F142-F177 AromaticContact CZ-CE2 3.52Å; F142-F177 HydrophobicContact CZ-CE2 3.52Å; F142-F177 HydrophobicContact CZ-CZ 4.19Å
143C98.6Very high96.3Very high0 Ų015 Ų150%010%0.099CC..EExtended strand (participates in β ladder)trans-131.6145.9172.359.10000109W80 Y131W80-C143 PolarHBondContact N-O 2.79Å; W80-C143 PolarHBondContact O-N 2.87Å; Y131-C143 HydrophobicContact CD1-CB 4.22Å; Y131-C143 HydrophobicContact CE1-CB 3.72Å; Y131-C143 HydrophobicContact CE2-CB 4.03Å; Y131-C143 WeakPolarHBondContact CE2-SG 3.4Å
144F98.3Very high96.1Very high1 Ų115.8 Ų15.80%0.00411%0.112CC..EExtended strand (participates in β ladder)trans-146.3165.8-172.263.6-78.5000110G78 V79 I113 F115 H116 Y146 D165 V169G78-F144 VanDerWaalsContact O-CA 3.24Å; G78-F144 WeakPolarHBondContact O-CA 3.44Å; G78-F144 WeakPolarHBondContact O-CB 3.45Å; V79-F144 HydrophobicContact CB-CB 4.35Å; V79-F144 HydrophobicContact CG1-CB 4.29Å; V79-F144 HydrophobicContact CG2-CB 3.87Å; I113-F144 HydrophobicContact CG2-CE1 4.09Å; F115-F144 AromaticContact CD1-CE1 3.8Å; F115-F144 HydrophobicContact CD1-CE1 3.8Å; F115-F144 AromaticContact CD1-CZ 3.65Å; F115-F144 HydrophobicContact CD1-CZ 3.65Å; F115-F144 AromaticContact CE1-CE1 3.85Å; F115-F144 HydrophobicContact CE1-CE1 3.85Å; F115-F144 AromaticContact CE1-CZ 3.81Å; F115-F144 HydrophobicContact CE1-CZ 3.81Å; H116-F144 PolarHBondContact CD2-O 2.8Å; F144-Y146 HydrophobicContact CD2-CD1 4.43Å; F144-Y146 AromaticContact CE2-CD1 3.65Å; F144-Y146 HydrophobicContact CE2-CD1 3.65Å; F144-Y146 AromaticContact CE2-CE1 3.58Å; F144-Y146 HydrophobicContact CE2-CE1 3.58Å; F144-Y146 HydrophobicContact CZ-CD1 4.35Å; F144-Y146 AromaticContact CZ-CE1 3.81Å; F144-Y146 HydrophobicContact CZ-CE1 3.81Å; F144-D165 HydrophobicContact CE2-CB 4.48Å; F144-V169 HydrophobicContact CB-CG2 4.16Å; F144-V169 HydrophobicContact CD1-CB 4.24Å; F144-V169 HydrophobicContact CD1-CG1 3.91Å; F144-V169 HydrophobicContact CD1-CG2 3.95Å; F144-V169 HydrophobicContact CD2-CG2 3.84Å; F144-V169 HydrophobicContact CE1-CB 4.24Å; F144-V169 HydrophobicContact CE1-CG1 4.15Å; F144-V169 HydrophobicContact CE1-CG2 4.27Å; F144-V169 HydrophobicContact CE2-CG2 4.14Å; F144-V169 HydrophobicContact CG-CG1 4.47Å; F144-V169 HydrophobicContact CG-CG2 3.73Å; F144-V169 HydrophobicContact CZ-CB 4.49Å; F144-V169 HydrophobicContact CZ-CG2 4.34Å
145D97.2Very high95.7Very high0 Ų019.9 Ų19.90%014%0.141CC..  trans-106.2131.5168.5-79.8-56000110G78 H116 S121 R122 S152G78-D145 PolarHBondContact O-N 2.81Å; H116-D145 IonicContact CD2-OD1 2.86Å; H116-D145 IonicContact CE1-OD1 2.98Å; H116-D145 IonicContact NE2-OD1 4Å; S121-D145 WeakPolarHBondContact CA-OD1 3.5Å; S121-D145 WeakPolarHBondContact CB-OD2 3.48Å; R122-D145 VanDerWaalsContact CG-OD2 3.23Å; R122-D145 WeakPolarHBondContact CG-OD2 3.43Å; R122-D145 IonicContact CZ-OD2 3.01Å; R122-D145 VanDerWaalsContact N-CG 3.33Å; R122-D145 PolarHBondContact N-OD1 2.78Å; R122-D145 PolarHBondContact N-OD2 2.96Å; R122-D145 VanDerWaalsContact N-OD2 3.09Å; R122-D145 IonicContact NE-OD2 3.46Å; R122-D145 IonicContact NH1-OD2 2.71Å; R122-D145 PolarHBondContact NH1-OD2 2.86Å; D145-S152 WeakPolarHBondContact CB-OG 3.34Å; D145-S152 WeakPolarHBondContact O-CB 3.5Å; D145-S152 PolarHBondContact O-OG 3.1Å
146Y96.5Very high95.4Very high0 Ų020.4 Ų20.40%014%0.144CC..  trans-58.3157.6170.5-50.7-65.7000110.7F115 H116 F144 G148 Y149 S152 C162 D165 V193F115-Y146 WeakPolarHBondContact CB-OH 3.47Å; H116-Y146 AromaticContact CD2-CD2 3.99Å; H116-Y146 AromaticContact CD2-CE2 3.75Å; H116-Y146 AromaticContact CE1-CD2 3.41Å; H116-Y146 VanDerWaalsContact CE1-CD2 3.41Å; H116-Y146 WeakPolarHBondContact CE1-CD2 3.35Å; H116-Y146 AromaticContact CE1-CE2 3.63Å; H116-Y146 AromaticContact NE2-CD2 3.2Å; H116-Y146 WeakPolarHBondContact NE2-CD2 3.07Å; H116-Y146 AromaticContact NE2-CE2 3.45Å; H116-Y146 WeakPolarHBondContact NE2-CE2 3.18Å; H116-Y146 AromaticContact NE2-CG 3.92Å; H116-Y146 PolarHBondContact NE2-N 3.18Å; H116-Y146 WeakPolarHBondContact O-CE2 3.46Å; F144-Y146 HydrophobicContact CD2-CD1 4.43Å; F144-Y146 AromaticContact CE2-CD1 3.65Å; F144-Y146 HydrophobicContact CE2-CD1 3.65Å; F144-Y146 AromaticContact CE2-CE1 3.58Å; F144-Y146 HydrophobicContact CE2-CE1 3.58Å; F144-Y146 HydrophobicContact CZ-CD1 4.35Å; F144-Y146 AromaticContact CZ-CE1 3.81Å; F144-Y146 HydrophobicContact CZ-CE1 3.81Å; Y146-G148 PolarHBondContact O-N 3.08Å; Y146-Y149 HydrophobicContact CD2-CD2 4.32Å; Y146-Y149 HydrophobicContact CD2-CE2 4.35Å; Y146-Y149 WeakPolarHBondContact O-CB 3.44Å; Y146-Y149 PolarHBondContact O-N 2.87Å; Y146-S152 WeakPolarHBondContact O-CB 3.31Å; Y146-C162 HydrophobicContact CD1-CB 4.24Å; Y146-C162 HydrophobicContact CE1-CB 4.39Å; Y146-D165 HydrophobicContact CD1-CB 4.24Å; Y146-V193 HydrophobicContact CE1-CG1 4.11Å; Y146-V193 HydrophobicContact CE1-CG2 4.45Å
147R94.8Very high95.1Very high2 Ų220.4 Ų20.41%0.00814%0.141CC..THydrogen-bonded Turntrans-50.1133.2178.969.1-177.469.5176.17.3111.7D72 D73 A75 L77 Y149 T153 L156 D165D72-R147 IonicContact OD1-CZ 3.53Å; D72-R147 IonicContact OD1-NH1 3.38Å; D72-R147 PolarHBondContact OD1-NH1 2.77Å; D72-R147 IonicContact OD1-NH2 3.61Å; D72-R147 PolarHBondContact OD1-NH2 2.69Å; D72-R147 IonicContact OD2-CZ 3.15Å; D72-R147 IonicContact OD2-NH1 3.97Å; D72-R147 PolarHBondContact OD2-NH1 2.92Å; D72-R147 IonicContact OD2-NH2 2.69Å; D72-R147 PolarHBondContact OD2-NH2 2.89Å; D73-R147 IonicContact OD1-CZ 3.9Å; D73-R147 IonicContact OD1-NH1 3.88Å; D73-R147 PolarHBondContact OD1-NH1 3.15Å; D73-R147 VanDerWaalsContact OD1-NH1 3.13Å; D73-R147 IonicContact OD1-NH2 3.67Å; D73-R147 IonicContact OD2-CZ 3.32Å; D73-R147 IonicContact OD2-NH1 3.51Å; D73-R147 PolarHBondContact OD2-NH1 3.24Å; A75-R147 HydrophobicContact CB-CB 4.02Å; L77-R147 HydrophobicContact CD2-CB 4.2Å; R147-Y149 VanDerWaalsContact C-N 3.27Å; R147-Y149 PolarHBondContact O-N 2.97Å; R147-T153 CarbonylContact C-O 3.55Å; R147-T153 VanDerWaalsContact CA-O 3.27Å; R147-T153 WeakPolarHBondContact CA-O 3.47Å; R147-T153 WeakPolarHBondContact CB-O 3.29Å; R147-L156 HydrophobicContact CG-CD2 3.58Å; R147-L156 HydrophobicContact CG-CG 3.92Å; R147-L156 WeakPolarHBondContact O-CG 3.37Å; R147-D165 WeakPolarHBondContact CB-OD2 3.38Å; R147-D165 WeakPolarHBondContact CG-OD2 3.46Å; R147-D165 IonicContact CZ-OD1 3.77Å; R147-D165 VanDerWaalsContact CZ-OD1 3.22Å; R147-D165 PolarHBondContact N-OD2 2.74Å; R147-D165 IonicContact NE-OD1 2.85Å; R147-D165 PolarHBondContact NE-OD1 3.08Å; R147-D165 IonicContact NE-OD2 3.46Å; R147-D165 PolarHBondContact NE-OD2 3.04Å; R147-D165 IonicContact NH2-OD1 2.67Å; R147-D165 PolarHBondContact NH2-OD1 3.43Å
148G92.5Very high94.8Very high22 Ų2218.7 Ų18.723%0.22713%0.133CC..THydrogen-bonded Turntrans77.5-6.9-175.300000116.4T39 Y146 S152 T153 G154T39-G148 VanDerWaalsContact CB-O 3.29Å; T39-G148 WeakPolarHBondContact CB-O 3.38Å; Y146-G148 PolarHBondContact O-N 3.08Å; G148-S152 PolarHBondContact N-O 3.17Å; G148-T153 PolarHBondContact N-O 3.43Å; G148-T153 VanDerWaalsContact N-O 3.1Å; G148-G154 WeakPolarHBondContact CA-O 3.47Å
149Y93.7Very high94.7Very high0 Ų019.9 Ų19.90%014%0.136CC..SBendtrans-90.9155.6166.7-74.8-92.3000111.2T39 H116 N118 K120 Y146 R147 D151 S152 L156T39-Y149 HydrophobicContact CG2-CD2 3.87Å; T39-Y149 HydrophobicContact CG2-CE1 4.34Å; T39-Y149 HydrophobicContact CG2-CE2 3.69Å; T39-Y149 HydrophobicContact CG2-CG 4.33Å; H116-Y149 AromaticContact CE1-CG 3.98Å; N118-Y149 PolarHBondContact OD1-OH 2.99Å; K120-Y149 WeakPolarHBondContact O-CD1 3.43Å; Y146-Y149 HydrophobicContact CD2-CD2 4.32Å; Y146-Y149 HydrophobicContact CD2-CE2 4.35Å; Y146-Y149 WeakPolarHBondContact O-CB 3.44Å; Y146-Y149 PolarHBondContact O-N 2.87Å; R147-Y149 VanDerWaalsContact C-N 3.27Å; R147-Y149 PolarHBondContact O-N 2.97Å; Y149-D151 PolarHBondContact O-N 2.79Å; Y149-S152 VanDerWaalsContact O-CB 3.3Å; Y149-S152 WeakPolarHBondContact O-CB 3.44Å; Y149-S152 PolarHBondContact O-N 2.71Å; Y149-L156 HydrophobicContact CD2-CD1 3.94Å; Y149-L156 HydrophobicContact CE2-CD1 3.43Å; Y149-L156 VanDerWaalsContact CE2-CD1 3.43Å
150G92.7Very high94.5Very high21 Ų2122.9 Ų22.922%0.21615%0.153CC..THydrogen-bonded Turntrans55.7-123.1175.200000113.4Y50Y50-G150 WeakPolarHBondContact OH-CA 3.27Å
151D93.1Very high94.4Very high39 Ų3923.4 Ų23.421%0.20916%0.156CC..THydrogen-bonded Turntrans-104.57.4171.164.1-7.8000113.1Y50 Y67 R122 Y149Y50-D151 VanDerWaalsContact CB-OD2 3.27Å; Y50-D151 WeakPolarHBondContact CB-OD2 3.23Å; Y50-D151 HydrophobicContact CD2-CB 3.75Å; Y50-D151 HydrophobicContact CE2-CB 3.85Å; Y50-D151 HydrophobicContact CG-CB 4.22Å; Y50-D151 VanDerWaalsContact CG-OD2 3.27Å; Y67-D151 PolarHBondContact OH-OD2 2.92Å; Y67-D151 VanDerWaalsContact OH-OD2 3.09Å; R122-D151 IonicContact CZ-OD1 3.28Å; R122-D151 IonicContact CZ-OD2 3.82Å; R122-D151 IonicContact NH1-OD1 3.06Å; R122-D151 PolarHBondContact NH1-OD1 3.48Å; R122-D151 VanDerWaalsContact NH2-CG 3.3Å; R122-D151 IonicContact NH2-OD1 3.8Å; R122-D151 PolarHBondContact NH2-OD1 3.28Å; R122-D151 IonicContact NH2-OD2 2.87Å; R122-D151 PolarHBondContact NH2-OD2 2.84Å; Y149-D151 PolarHBondContact O-N 2.79Å
152S95.4Very high94.3Very high9 Ų923.4 Ų23.46%0.06316%0.156CC..  trans-69.9135.8173.6-62.70000110.7L76 L77 G78 D145 Y146 G148 Y149L76-S152 CarbonylContact O-C 3.57Å; L76-S152 WeakPolarHBondContact O-CA 3.34Å; L76-S152 WeakPolarHBondContact O-CB 3.48Å; L77-S152 WeakPolarHBondContact CA-OG 3.42Å; G78-S152 PolarHBondContact N-OG 2.86Å; D145-S152 WeakPolarHBondContact CB-OG 3.34Å; D145-S152 WeakPolarHBondContact O-CB 3.5Å; D145-S152 PolarHBondContact O-OG 3.1Å; Y146-S152 WeakPolarHBondContact O-CB 3.31Å; G148-S152 PolarHBondContact N-O 3.17Å; Y149-S152 VanDerWaalsContact O-CB 3.3Å; Y149-S152 WeakPolarHBondContact O-CB 3.44Å; Y149-S152 PolarHBondContact O-N 2.71Å
153T94.4Very high94.1Very high68 Ų6824.4 Ų24.442%0.41716%0.161SC..  trans-80.6176.9179.172.70000111.5L76 R147 G148L76-T153 HydrophobicContact CB-CG2 4.17Å; L76-T153 PolarHBondContact N-OG1 3.35Å; L76-T153 PolarHBondContact O-N 3.17Å; R147-T153 CarbonylContact C-O 3.55Å; R147-T153 VanDerWaalsContact CA-O 3.27Å; R147-T153 WeakPolarHBondContact CA-O 3.47Å; R147-T153 WeakPolarHBondContact CB-O 3.29Å; G148-T153 PolarHBondContact N-O 3.43Å; G148-T153 VanDerWaalsContact N-O 3.1Å
154G92.4Very high94Very high39 Ų3926.1 Ų26.140%0.40217%0.17SC..SBendtrans84.7-166.5178.500000114.3G148G148-G154 WeakPolarHBondContact CA-O 3.47Å
155S90.7Very high93.9Very high87 Ų8726.1 Ų26.161%0.60817%0.17SC*.  trans-153.7137.6-178.7-72.40000111.3
156L91.3Very high94Very high15 Ų1526.1 Ų26.18%0.07917%0.17CC..  trans-75.7132.2178-69.9168.4000112.7F37 R147 Y149 D161 C162F37-L156 HydrophobicContact CB-CD1 4.25Å; F37-L156 HydrophobicContact CD1-CD1 3.82Å; F37-L156 HydrophobicContact CD2-CB 3.66Å; F37-L156 HydrophobicContact CD2-CD1 4.09Å; F37-L156 HydrophobicContact CE1-CD1 4.11Å; F37-L156 HydrophobicContact CE2-CB 3.8Å; F37-L156 HydrophobicContact CE2-CD1 4.35Å; F37-L156 HydrophobicContact CG-CB 4.2Å; F37-L156 HydrophobicContact CG-CD1 3.8Å; F37-L156 HydrophobicContact CZ-CB 4.46Å; F37-L156 HydrophobicContact CZ-CD1 4.36Å; R147-L156 HydrophobicContact CG-CD2 3.58Å; R147-L156 HydrophobicContact CG-CG 3.92Å; R147-L156 WeakPolarHBondContact O-CG 3.37Å; Y149-L156 HydrophobicContact CD2-CD1 3.94Å; Y149-L156 HydrophobicContact CE2-CD1 3.43Å; Y149-L156 VanDerWaalsContact CE2-CD1 3.43Å; L156-D161 HydrophobicContact CD2-CB 3.5Å; L156-D161 VanDerWaalsContact CD2-CB 3.5Å; L156-C162 VanDerWaalsContact CD2-SG 3.59Å
157T89Confident93.9Very high60 Ų6026.5 Ų26.537%0.36817%0.172SC..  trans-108.5-15.9174.275.30000112.8R33 D161R33-T157 WeakPolarHBondContact CD-O 3.46Å; R33-T157 PolarHBondContact NE-O 2.85Å; R33-T157 VanDerWaalsContact NH1-CB 3.26Å; R33-T157 PolarHBondContact NH2-O 3.23Å; T157-D161 WeakPolarHBondContact CA-OD2 3.26Å; T157-D161 WeakPolarHBondContact CB-OD2 3.44Å; T157-D161 WeakPolarHBondContact CG2-OD2 3.17Å; T157-D161 PolarHBondContact N-OD2 3.32Å; T157-D161 VanDerWaalsContact OG1-CG 3.3Å; T157-D161 PolarHBondContact OG1-OD1 2.87Å; T157-D161 PolarHBondContact OG1-OD2 2.78Å
158G91.4Very high94Very high2 Ų226.7 Ų26.72%0.02117%0.174CC..SBendtrans172.7-172.1178.400000112.5N160 D161 K257G158-N160 PolarHBondContact O-N 3.31Å; G158-D161 PolarHBondContact O-N 3.17Å; G158-K257 WeakPolarHBondContact CA-O 3.37Å
159E93.9Very high94.2Very high34 Ų3425.7 Ų25.716%0.15916%0.163CC..Hα-helixtrans-60.3-29.6175.770.4-161.4178.600112.8D161 C162 L163 K257 S259 F260E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 3.33Å; E159-C162 WeakPolarHBondContact O-CB 3.27Å; E159-C162 PolarHBondContact O-N 2.96Å; E159-L163 PolarHBondContact O-N 3.28Å; E159-K257 WeakPolarHBondContact CG-O 3.39Å; E159-K257 PolarHBondContact N-O 2.99Å; E159-S259 PolarHBondContact OE1-OG 3.1Å; E159-S259 WeakPolarHBondContact OE2-CA 3.48Å; E159-S259 PolarHBondContact OE2-N 3Å; E159-S259 PolarHBondContact OE2-OG 3.39Å; E159-F260 HydrophobicContact CB-CD1 3.91Å; E159-F260 HydrophobicContact CB-CD2 4.28Å; E159-F260 HydrophobicContact CB-CE1 3.5Å; E159-F260 HydrophobicContact CB-CE2 3.91Å; E159-F260 HydrophobicContact CB-CG 4.3Å; E159-F260 HydrophobicContact CB-CZ 3.51Å; E159-F260 PolarHBondContact OE2-N 3.2Å
160N94.1Very high94.4Very high80 Ų8025.7 Ų25.743%0.42816%0.163SC..Hα-helixtrans-62.5-36.6178.1-172.974.4000112.7G158 L163 L164G158-N160 PolarHBondContact O-N 3.31Å; N160-L163 WeakPolarHBondContact O-CB 3.09Å; N160-L163 PolarHBondContact O-N 3.37Å; N160-L164 WeakPolarHBondContact ND2-CD1 3.34Å; N160-L164 WeakPolarHBondContact O-CG 3.44Å; N160-L164 PolarHBondContact O-N 3.4Å
161D94.9Very high94.5Very high12 Ų1227.6 Ų27.66%0.06417%0.166CC..Hα-helixtrans-71.4-39.5179.3-61.7-6.7000110.4L156 T157 G158 E159 L163 L164 D165L156-D161 HydrophobicContact CD2-CB 3.5Å; L156-D161 VanDerWaalsContact CD2-CB 3.5Å; T157-D161 WeakPolarHBondContact CA-OD2 3.26Å; T157-D161 WeakPolarHBondContact CB-OD2 3.44Å; T157-D161 WeakPolarHBondContact CG2-OD2 3.17Å; T157-D161 PolarHBondContact N-OD2 3.32Å; T157-D161 VanDerWaalsContact OG1-CG 3.3Å; T157-D161 PolarHBondContact OG1-OD1 2.87Å; T157-D161 PolarHBondContact OG1-OD2 2.78Å; G158-D161 PolarHBondContact O-N 3.17Å; E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 3.33Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 3.04Å; D161-L164 PolarHBondContact O-N 2.9Å; D161-D165 WeakPolarHBondContact O-CB 3.38Å; D161-D165 PolarHBondContact O-N 3.23Å
162C96.1Very high94.6Very high0 Ų029 Ų290%017%0.171CC..Hα-helixtrans-61.1-39.4171.3-62.90000111.6Y146 L156 E159 S166 V193Y146-C162 HydrophobicContact CD1-CB 4.24Å; Y146-C162 HydrophobicContact CE1-CB 4.39Å; L156-C162 VanDerWaalsContact CD2-SG 3.59Å; E159-C162 WeakPolarHBondContact O-CB 3.27Å; E159-C162 PolarHBondContact O-N 2.96Å; C162-S166 WeakPolarHBondContact O-CB 3.42Å; C162-S166 PolarHBondContact O-N 3.4Å; C162-S166 PolarHBondContact O-OG 3.06Å; C162-V193 HydrophobicContact CB-CG1 4.27Å; C162-V193 HydrophobicContact CB-CG2 3.77Å
163L95.7Very high94.7Very high21 Ų2128.6 Ų28.611%0.1117%0.168CC..Hα-helixtrans-61.2-50.6174.3168.264.5000111E159 N160 D161 S166 L167 C196 L197 H200E159-L163 PolarHBondContact O-N 3.28Å; N160-L163 WeakPolarHBondContact O-CB 3.09Å; N160-L163 PolarHBondContact O-N 3.37Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 3.04Å; L163-S166 WeakPolarHBondContact O-CB 3.23Å; L163-S166 PolarHBondContact O-N 2.68Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 PolarHBondContact O-N 2.98Å; L163-C196 HydrophobicContact CB-CB 4.38Å; L163-C196 HydrophobicContact CD1-CB 4.32Å; L163-L197 HydrophobicContact CD1-CB 4.44Å; L163-L197 HydrophobicContact CD1-CD2 3.72Å; L163-L197 HydrophobicContact CD1-CG 4.03Å; L163-H200 HydrophobicContact CD1-CB 4.08Å; L163-H200 HydrophobicContact CD2-CB 4.3Å
164L95.6Very high94.8Very high37 Ų3725.7 Ų25.719%0.19415%0.15CC..Hα-helixtrans-64.6-40.7-178.9-70.8173.7000112.4D72 N160 D161 S166 L167 T168D72-L164 HydrophobicContact CB-CD1 3.95Å; N160-L164 WeakPolarHBondContact ND2-CD1 3.34Å; N160-L164 WeakPolarHBondContact O-CG 3.44Å; N160-L164 PolarHBondContact O-N 3.4Å; D161-L164 PolarHBondContact O-N 2.9Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.89Å; L164-L167 PolarHBondContact O-N 2.9Å; L164-T168 WeakPolarHBondContact O-CB 3.46Å; L164-T168 PolarHBondContact O-N 3.23Å; L164-T168 PolarHBondContact O-OG1 3.35Å
165D97.5Very high94.8Very high0 Ų032.3 Ų32.30%017%0.168CC..Hα-helixtrans-61-44.1174.1-68.3-12.6000110.9L77 F144 Y146 R147 D161 T168 V169L77-D165 HydrophobicContact CD1-CB 3.77Å; L77-D165 HydrophobicContact CD2-CB 4.13Å; F144-D165 HydrophobicContact CE2-CB 4.48Å; Y146-D165 HydrophobicContact CD1-CB 4.24Å; R147-D165 WeakPolarHBondContact CB-OD2 3.38Å; R147-D165 WeakPolarHBondContact CG-OD2 3.46Å; R147-D165 IonicContact CZ-OD1 3.77Å; R147-D165 VanDerWaalsContact CZ-OD1 3.22Å; R147-D165 PolarHBondContact N-OD2 2.74Å; R147-D165 IonicContact NE-OD1 2.85Å; R147-D165 PolarHBondContact NE-OD1 3.08Å; R147-D165 IonicContact NE-OD2 3.46Å; R147-D165 PolarHBondContact NE-OD2 3.04Å; R147-D165 IonicContact NH2-OD1 2.67Å; R147-D165 PolarHBondContact NH2-OD1 3.43Å; D161-D165 WeakPolarHBondContact O-CB 3.38Å; D161-D165 PolarHBondContact O-N 3.23Å; D165-T168 WeakPolarHBondContact O-CB 3.29Å; D165-T168 PolarHBondContact O-N 3.06Å; D165-V169 PolarHBondContact O-N 3.17Å
166S97.5Very high95Very high0 Ų031.4 Ų31.40%015%0.151CC..Hα-helixtrans-66.2-42.9178.5-61.70000112.1C162 L163 L164 T168 V169 V170 V193C162-S166 WeakPolarHBondContact O-CB 3.42Å; C162-S166 PolarHBondContact O-N 3.4Å; C162-S166 PolarHBondContact O-OG 3.06Å; L163-S166 WeakPolarHBondContact O-CB 3.23Å; L163-S166 PolarHBondContact O-N 2.68Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.89Å; S166-T168 VanDerWaalsContact C-N 3.3Å; S166-T168 PolarHBondContact O-N 3.02Å; S166-V169 PolarHBondContact O-N 2.9Å; S166-V170 VanDerWaalsContact O-CG2 3.28Å; S166-V170 WeakPolarHBondContact O-CG2 3.49Å; S166-V170 PolarHBondContact O-N 3.01Å; S166-V193 WeakPolarHBondContact OG-CG1 3.29Å
167L95.8Very high95.2Very high9 Ų930.9 Ų30.95%0.04715%0.148CC..Hα-helixtrans-61.3-40.8176.6-171.367.3000111.1L71 L163 L164 V169 V170 Q171 L197 F201 L208 I211L71-L167 HydrophobicContact CD1-CB 4.2Å; L71-L167 HydrophobicContact CD1-CD2 3.81Å; L71-L167 HydrophobicContact CD1-CG 3.9Å; L163-L167 WeakPolarHBondContact O-CB 3.36Å; L163-L167 PolarHBondContact O-N 2.98Å; L164-L167 PolarHBondContact O-N 2.9Å; L167-V169 VanDerWaalsContact C-N 3.35Å; L167-V169 PolarHBondContact O-N 3.35Å; L167-V170 PolarHBondContact O-N 3.24Å; L167-Q171 WeakPolarHBondContact O-CB 3.24Å; L167-Q171 VanDerWaalsContact O-CG 3.3Å; L167-Q171 WeakPolarHBondContact O-CG 3.35Å; L167-Q171 PolarHBondContact O-N 2.84Å; L167-L197 HydrophobicContact CB-CD2 4.36Å; L167-L197 HydrophobicContact CD1-CD2 4.41Å; L167-F201 HydrophobicContact CD1-CE1 3.7Å; L167-F201 HydrophobicContact CD1-CZ 4.43Å; L167-L208 HydrophobicContact CD1-CD2 4.49Å; L167-I211 HydrophobicContact CD1-CD1 3.36Å; L167-I211 HydrophobicContact CG-CD1 4.27Å
168T96Very high95.4Very high6 Ų632.1 Ų32.14%0.03716%0.157CC..Hα-helixtrans-56.7-48.1174.8-57.30000111.1I68 A69 L71 L77 L164 D165 S166 F172I68-T168 HydrophobicContact CB-CG2 4.33Å; I68-T168 HydrophobicContact CG2-CG2 3.51Å; A69-T168 WeakPolarHBondContact O-CG2 3.45Å; L71-T168 WeakPolarHBondContact CG-OG1 3.2Å; L71-T168 PolarHBondContact N-OG1 3.36Å; L71-T168 VanDerWaalsContact N-OG1 3.14Å; L77-T168 HydrophobicContact CD1-CG2 4.27Å; L164-T168 WeakPolarHBondContact O-CB 3.46Å; L164-T168 PolarHBondContact O-N 3.23Å; L164-T168 PolarHBondContact O-OG1 3.35Å; D165-T168 WeakPolarHBondContact O-CB 3.29Å; D165-T168 PolarHBondContact O-N 3.06Å; S166-T168 VanDerWaalsContact C-N 3.3Å; S166-T168 PolarHBondContact O-N 3.02Å; T168-F172 PolarHBondContact O-N 3.02Å; T168-F172 VanDerWaalsContact O-N 3.08Å
169V97.6Very high95.5Very high0 Ų036.1 Ų36.10%019%0.185CC..Hα-helixtrans-68.4-43.2179.1176.50000111.4I68 L77 V79 I113 F144 D165 S166 L167 Q171 F172 V173I68-V169 HydrophobicContact CD1-CG2 4.41Å; L77-V169 HydrophobicContact CD1-CG2 4.45Å; V79-V169 HydrophobicContact CG2-CG2 4.3Å; I113-V169 HydrophobicContact CG2-CG1 4.13Å; F144-V169 HydrophobicContact CB-CG2 4.16Å; F144-V169 HydrophobicContact CD1-CB 4.24Å; F144-V169 HydrophobicContact CD1-CG1 3.91Å; F144-V169 HydrophobicContact CD1-CG2 3.95Å; F144-V169 HydrophobicContact CD2-CG2 3.84Å; F144-V169 HydrophobicContact CE1-CB 4.24Å; F144-V169 HydrophobicContact CE1-CG1 4.15Å; F144-V169 HydrophobicContact CE1-CG2 4.27Å; F144-V169 HydrophobicContact CE2-CG2 4.14Å; F144-V169 HydrophobicContact CG-CG1 4.47Å; F144-V169 HydrophobicContact CG-CG2 3.73Å; F144-V169 HydrophobicContact CZ-CB 4.49Å; F144-V169 HydrophobicContact CZ-CG2 4.34Å; D165-V169 PolarHBondContact O-N 3.17Å; S166-V169 PolarHBondContact O-N 2.9Å; L167-V169 VanDerWaalsContact C-N 3.35Å; L167-V169 PolarHBondContact O-N 3.35Å; V169-Q171 VanDerWaalsContact C-N 3.35Å; V169-Q171 PolarHBondContact O-N 3.49Å; V169-F172 WeakPolarHBondContact O-CB 3.48Å; V169-F172 PolarHBondContact O-N 3.1Å; V169-V173 HydrophobicContact CG1-CG2 4.3Å; V169-V173 WeakPolarHBondContact O-CG2 3.37Å; V169-V173 PolarHBondContact O-N 3.29Å
170V97.2Very high95.6Very high0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-59.9-44.8177.7171.70000111.1I113 F115 S166 L167 V173 C174 F184 L197 F201 I211I113-V170 HydrophobicContact CD1-CB 4.46Å; I113-V170 HydrophobicContact CD1-CG2 3.94Å; F115-V170 HydrophobicContact CZ-CG2 4.18Å; S166-V170 VanDerWaalsContact O-CG2 3.28Å; S166-V170 WeakPolarHBondContact O-CG2 3.49Å; S166-V170 PolarHBondContact O-N 3.01Å; L167-V170 PolarHBondContact O-N 3.24Å; V170-V173 PolarHBondContact O-N 3.15Å; V170-C174 WeakPolarHBondContact O-CB 3.41Å; V170-C174 PolarHBondContact O-N 2.85Å; V170-C174 PolarHBondContact O-SG 3.07Å; V170-F184 HydrophobicContact CG1-CZ 4.3Å; V170-F184 HydrophobicContact CG2-CE1 4.01Å; V170-F184 HydrophobicContact CG2-CZ 3.8Å; V170-L197 HydrophobicContact CG2-CD1 4.39Å; V170-F201 HydrophobicContact CG1-CZ 4.13Å; V170-I211 HydrophobicContact CG1-CG2 3.82Å
171Q95.2Very high95.8Very high61 Ų6131.4 Ų31.429%0.28516%0.162SC..Hα-helixtrans-61.4-44.3176.4-76.5179.9-0.200111.9L167 V169 K175 I211L167-Q171 WeakPolarHBondContact O-CB 3.24Å; L167-Q171 VanDerWaalsContact O-CG 3.3Å; L167-Q171 WeakPolarHBondContact O-CG 3.35Å; L167-Q171 PolarHBondContact O-N 2.84Å; V169-Q171 VanDerWaalsContact C-N 3.35Å; V169-Q171 PolarHBondContact O-N 3.49Å; Q171-K175 WeakPolarHBondContact O-CB 3.33Å; Q171-K175 PolarHBondContact O-N 2.93Å; Q171-I211 HydrophobicContact CG-CD1 3.39Å; Q171-I211 HydrophobicContact CG-CG1 3.62Å
172F95.7Very high95.9Very high70 Ų7030.9 Ų30.931%0.30716%0.159SC..Hα-helixtrans-59.1-48175.8176.1-88.2000111.5F66 I68 F142 T168 V169 K175 R176F66-F172 HydrophobicContact CD2-CZ 4.19Å; F66-F172 HydrophobicContact CE2-CD1 4.1Å; F66-F172 AromaticContact CE2-CE1 3.46Å; F66-F172 HydrophobicContact CE2-CE1 3.46Å; F66-F172 VanDerWaalsContact CE2-CE1 3.46Å; F66-F172 AromaticContact CE2-CE2 3.93Å; F66-F172 HydrophobicContact CE2-CE2 3.93Å; F66-F172 AromaticContact CE2-CZ 3.36Å; F66-F172 HydrophobicContact CE2-CZ 3.36Å; F66-F172 HydrophobicContact CZ-CD1 4.14Å; F66-F172 AromaticContact CZ-CE1 3.44Å; F66-F172 HydrophobicContact CZ-CE1 3.44Å; F66-F172 VanDerWaalsContact CZ-CE1 3.44Å; F66-F172 AromaticContact CZ-CZ 3.77Å; F66-F172 HydrophobicContact CZ-CZ 3.77Å; I68-F172 HydrophobicContact CD1-CB 3.66Å; I68-F172 HydrophobicContact CD1-CD1 3.82Å; I68-F172 HydrophobicContact CD1-CD2 3.81Å; I68-F172 HydrophobicContact CD1-CE1 4.46Å; I68-F172 HydrophobicContact CD1-CE2 4.42Å; I68-F172 HydrophobicContact CD1-CG 3.47Å; I68-F172 VanDerWaalsContact CD1-CG 3.47Å; I68-F172 HydrophobicContact CG1-CD2 4.26Å; I68-F172 HydrophobicContact CG1-CG 4.4Å; F142-F172 HydrophobicContact CE1-CD1 4.35Å; F142-F172 AromaticContact CE1-CE1 3.91Å; F142-F172 HydrophobicContact CE1-CE1 3.91Å; T168-F172 PolarHBondContact O-N 3.02Å; T168-F172 VanDerWaalsContact O-N 3.08Å; V169-F172 WeakPolarHBondContact O-CB 3.48Å; V169-F172 PolarHBondContact O-N 3.1Å; F172-K175 PolarHBondContact O-N 2.97Å; F172-R176 HydrophobicContact CE1-CB 4.48Å; F172-R176 WeakPolarHBondContact O-CB 3.45Å; F172-R176 PolarHBondContact O-N 3.06Å
173V96.9Very high96.1Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-65.1-45.8-179.6172.50000111.3V111 I113 F142 V169 V170 K175 R176 F177 I182V111-V173 HydrophobicContact CB-CG1 4.41Å; V111-V173 HydrophobicContact CG1-CG1 3.72Å; I113-V173 HydrophobicContact CD1-CB 3.85Å; I113-V173 HydrophobicContact CD1-CG1 3.93Å; I113-V173 HydrophobicContact CD1-CG2 3.91Å; I113-V173 HydrophobicContact CG1-CG1 4.3Å; I113-V173 HydrophobicContact CG1-CG2 4.3Å; F142-V173 HydrophobicContact CB-CG2 3.99Å; F142-V173 HydrophobicContact CD1-CG2 3.7Å; F142-V173 HydrophobicContact CD2-CG1 4.37Å; F142-V173 HydrophobicContact CD2-CG2 3.75Å; F142-V173 HydrophobicContact CE1-CG2 4.14Å; F142-V173 HydrophobicContact CE2-CG2 4.19Å; F142-V173 HydrophobicContact CG-CG2 3.49Å; F142-V173 VanDerWaalsContact CG-CG2 3.49Å; F142-V173 HydrophobicContact CZ-CG2 4.38Å; V169-V173 HydrophobicContact CG1-CG2 4.3Å; V169-V173 WeakPolarHBondContact O-CG2 3.37Å; V169-V173 PolarHBondContact O-N 3.29Å; V170-V173 PolarHBondContact O-N 3.15Å; V173-K175 VanDerWaalsContact C-N 3.25Å; V173-K175 PolarHBondContact O-N 3.28Å; V173-R176 PolarHBondContact O-N 3.31Å; V173-R176 VanDerWaalsContact O-N 3.17Å; V173-F177 HydrophobicContact CG1-CD2 4.28Å; V173-F177 PolarHBondContact O-N 3.22Å; V173-I182 HydrophobicContact CG1-CD1 3.75Å
174C95.4Very high96.2Very high6 Ų629.9 Ų29.94%0.04115%0.154CC..Hα-helixtrans-60.7-36.5178.1-69.40000112V170 F177 P178 N210V170-C174 WeakPolarHBondContact O-CB 3.41Å; V170-C174 PolarHBondContact O-N 2.85Å; V170-C174 PolarHBondContact O-SG 3.07Å; C174-F177 CarbonylContact O-C 3.59Å; C174-P178 WeakPolarHBondContact O-CA 3.48Å; C174-N210 VanDerWaalsContact CB-O 3.23Å; C174-N210 WeakPolarHBondContact CB-O 3.18Å
175K94.2Very high96.4Very high179 Ų17928.2 Ų28.278%0.77815%0.145SC*.Hα-helixtrans-71-41.5174.9-176.4179.4178.4-178.70112.3Q171 F172 V173Q171-K175 WeakPolarHBondContact O-CB 3.33Å; Q171-K175 PolarHBondContact O-N 2.93Å; F172-K175 PolarHBondContact O-N 2.97Å; V173-K175 VanDerWaalsContact C-N 3.25Å; V173-K175 PolarHBondContact O-N 3.28Å
176R93.5Very high96.4Very high68 Ų6828.2 Ų28.226%0.25715%0.145SC..Hα-helixtrans-70.9-33.9-179.2-175.559.5168.2118.8-14.4112.2E99 F172 V173 P178E99-R176 VanDerWaalsContact CD-NH2 3.26Å; E99-R176 IonicContact OE1-NH2 2.63Å; E99-R176 PolarHBondContact OE1-NH2 2.98Å; E99-R176 IonicContact OE2-CZ 2.82Å; E99-R176 IonicContact OE2-NH2 3.71Å; E99-R176 PolarHBondContact OE2-NH2 3.48Å; F172-R176 HydrophobicContact CE1-CB 4.48Å; F172-R176 WeakPolarHBondContact O-CB 3.45Å; F172-R176 PolarHBondContact O-N 3.06Å; V173-R176 PolarHBondContact O-N 3.31Å; V173-R176 VanDerWaalsContact O-N 3.17Å; R176-P178 WeakPolarHBondContact O-CD 3.49Å
177F95.1Very high96.5Very high3 Ų328.4 Ų28.41%0.01315%0.146CC..  trans-124.377.9179.8-60.2-94.8000110H81 M102 V111 H140 F142 V173 C174 S179 A180 R212H81-F177 AromaticContact CE1-CZ 3.79Å; M102-F177 HydrophobicContact CE-CE1 3.58Å; M102-F177 HydrophobicContact CE-CE2 4.42Å; M102-F177 HydrophobicContact CE-CZ 3.39Å; V111-F177 HydrophobicContact CG2-CB 4.17Å; V111-F177 HydrophobicContact CG2-CD1 3.92Å; V111-F177 HydrophobicContact CG2-CD2 4.14Å; V111-F177 HydrophobicContact CG2-CE1 4.3Å; V111-F177 HydrophobicContact CG2-CG 3.82Å; H140-F177 AromaticContact CD2-CE1 3.78Å; H140-F177 AromaticContact CE1-CE1 4Å; H140-F177 AromaticContact NE2-CE1 3.74Å; F142-F177 HydrophobicContact CE2-CD2 4.2Å; F142-F177 AromaticContact CE2-CE2 3.39Å; F142-F177 HydrophobicContact CE2-CE2 3.39Å; F142-F177 AromaticContact CE2-CZ 3.97Å; F142-F177 HydrophobicContact CE2-CZ 3.97Å; F142-F177 HydrophobicContact CZ-CD2 4.48Å; F142-F177 AromaticContact CZ-CE2 3.52Å; F142-F177 HydrophobicContact CZ-CE2 3.52Å; F142-F177 HydrophobicContact CZ-CZ 4.19Å; V173-F177 HydrophobicContact CG1-CD2 4.28Å; V173-F177 PolarHBondContact O-N 3.22Å; C174-F177 CarbonylContact O-C 3.59Å; F177-S179 PolarHBondContact O-N 3.3Å; F177-A180 HydrophobicContact CB-CB 3.79Å; F177-A180 HydrophobicContact CD1-CB 4.31Å; F177-A180 HydrophobicContact CG-CB 4.43Å; F177-R212 PolarHBondContact O-NH2 3Å
178P93.4Very high96.6Very high86 Ų8628.4 Ų28.456%0.55815%0.147SC*.SBendtrans-65.3-28.7-176.625-33.9000113C174 R176 R212C174-P178 WeakPolarHBondContact O-CA 3.48Å; R176-P178 WeakPolarHBondContact O-CD 3.49Å; P178-R212 PolarHBondContact O-NE 3.28Å; P178-R212 VanDerWaalsContact O-NE 3.17Å
179S93.8Very high96.6Very high87 Ų8728.5 Ų28.561%0.60815%0.147SC*.SBendtrans-102.9-23.7-174-56.80000114.5F177F177-S179 PolarHBondContact O-N 3.3Å
180A96.9Very high96.6Very high0 Ų028.5 Ų28.50%015%0.147CC..SBendtrans-67.9140-175.400000113.1N107 I109 V111 F177 I182 R212N107-A180 PolarHBondContact O-N 2.89Å; I109-A180 VanDerWaalsContact O-CB 3.22Å; I109-A180 WeakPolarHBondContact O-CB 3.33Å; V111-A180 HydrophobicContact CG2-CB 3.77Å; F177-A180 HydrophobicContact CB-CB 3.79Å; F177-A180 HydrophobicContact CD1-CB 4.31Å; F177-A180 HydrophobicContact CG-CB 4.43Å; A180-I182 PolarHBondContact O-N 2.69Å; A180-R212 PolarHBondContact O-NH1 3.38Å; A180-R212 PolarHBondContact O-NH2 3.22Å
181P97.6Very high96.7Very high15 Ų1528.5 Ų28.510%0.09715%0.147CC..PPolyproline II helixtrans-67.4134169.928.7-30.9000110.6D108 P110 V111 F183 K215 L337D108-P181 WeakPolarHBondContact O-CD 3.27Å; P110-P181 WeakPolarHBondContact CA-O 3.28Å; P110-P181 HydrophobicContact CB-CG 3.95Å; P110-P181 HydrophobicContact CG-CG 3.83Å; V111-P181 PolarHBondContact N-O 2.95Å; P181-F183 HydrophobicContact CB-CE2 3.96Å; P181-F183 HydrophobicContact CG-CE2 4.28Å; P181-K215 HydrophobicContact CB-CG 3.73Å; P181-L337 HydrophobicContact CB-CD2 3.47Å; P181-L337 VanDerWaalsContact CB-CD2 3.47Å; P181-L337 HydrophobicContact CG-CD1 4.21Å; P181-L337 HydrophobicContact CG-CD2 3.72Å
182I98.2Very high96.9Very high1 Ų125.6 Ų25.61%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-100.1138.1-178.8-54-55.7000109.5V111 I113 V173 A180 F184 P214 K215V111-I182 HydrophobicContact CB-CD1 3.76Å; V111-I182 HydrophobicContact CG1-CD1 4.42Å; V111-I182 HydrophobicContact CG2-CD1 4.11Å; V111-I182 CarbonylContact O-C 3.56Å; V111-I182 WeakPolarHBondContact O-CA 3.49Å; I113-I182 HydrophobicContact CD1-CG2 4Å; I113-I182 HydrophobicContact CG1-CG2 4.22Å; V173-I182 HydrophobicContact CG1-CD1 3.75Å; A180-I182 PolarHBondContact O-N 2.69Å; I182-F184 HydrophobicContact CG2-CD1 4.08Å; I182-F184 HydrophobicContact CG2-CE1 3.68Å; I182-P214 CarbonylContact O-C 3.57Å; I182-P214 WeakPolarHBondContact O-CA 3.45Å; I182-K215 PolarHBondContact O-N 3.1Å
183F98.7Very high97Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-126.8143.7175.3-69.8-93.1000110P110 V111 F112 I113 P181 K215 G216 F332 V333 T336 L337P110-F183 HydrophobicContact CB-CD2 4.15Å; P110-F183 HydrophobicContact CB-CE2 3.99Å; V111-F183 PolarHBondContact O-N 3.22Å; F112-F183 CarbonylContact C-O 3.58Å; F112-F183 WeakPolarHBondContact CA-O 3.35Å; F112-F183 HydrophobicContact CD1-CB 3.66Å; F112-F183 HydrophobicContact CD2-CB 4.13Å; F112-F183 HydrophobicContact CE1-CB 3.54Å; F112-F183 HydrophobicContact CE1-CG 4.24Å; F112-F183 HydrophobicContact CE2-CB 4.02Å; F112-F183 HydrophobicContact CE2-CD2 4.34Å; F112-F183 HydrophobicContact CE2-CG 4.19Å; F112-F183 HydrophobicContact CG-CB 3.97Å; F112-F183 HydrophobicContact CZ-CB 3.73Å; F112-F183 HydrophobicContact CZ-CD1 4.34Å; F112-F183 AromaticContact CZ-CG 3.97Å; F112-F183 HydrophobicContact CZ-CG 3.97Å; I113-F183 PolarHBondContact N-O 2.94Å; P181-F183 HydrophobicContact CB-CE2 3.96Å; P181-F183 HydrophobicContact CG-CE2 4.28Å; F183-K215 HydrophobicContact CE1-CB 3.96Å; F183-K215 HydrophobicContact CE2-CB 4.22Å; F183-K215 HydrophobicContact CZ-CB 3.76Å; F183-G216 WeakPolarHBondContact CA-O 3.4Å; F183-F332 HydrophobicContact CD1-CE1 4.21Å; F183-F332 HydrophobicContact CE1-CE1 4.44Å; F183-V333 HydrophobicContact CD1-CG2 4.37Å; F183-V333 HydrophobicContact CE1-CB 4.5Å; F183-V333 HydrophobicContact CE1-CG2 4.06Å; F183-V333 HydrophobicContact CE2-CG1 4.03Å; F183-V333 HydrophobicContact CE2-CG2 4.28Å; F183-V333 HydrophobicContact CZ-CB 4.16Å; F183-V333 HydrophobicContact CZ-CG1 3.87Å; F183-V333 HydrophobicContact CZ-CG2 4.01Å; F183-T336 VanDerWaalsContact CE1-OG1 3.25Å; F183-T336 WeakPolarHBondContact CE1-OG1 3.28Å; F183-T336 WeakPolarHBondContact CZ-OG1 3.31Å; F183-L337 HydrophobicContact CZ-CD2 4.33Å; F183-L337 HydrophobicContact CZ-CG 4.33Å
184F98.8Very high97Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-106.9136.1176.1-67.5-9.1000110.5I113 F115 V170 I182 V194 L197 M198 F201 P214 G216 I217 I218I113-F184 HydrophobicContact CB-CD1 4.19Å; I113-F184 HydrophobicContact CB-CE1 4.49Å; I113-F184 HydrophobicContact CD1-CD1 4.49Å; I113-F184 HydrophobicContact CD1-CE1 3.99Å; I113-F184 HydrophobicContact CG1-CE1 4.49Å; F115-F184 HydrophobicContact CD2-CB 4.34Å; F115-F184 HydrophobicContact CE2-CB 3.77Å; F115-F184 AromaticContact CE2-CD1 3.73Å; F115-F184 HydrophobicContact CE2-CD1 3.73Å; F115-F184 HydrophobicContact CE2-CD2 4.11Å; F115-F184 HydrophobicContact CE2-CE1 4.36Å; F115-F184 AromaticContact CE2-CG 3.61Å; F115-F184 HydrophobicContact CE2-CG 3.61Å; F115-F184 HydrophobicContact CZ-CD1 4.1Å; F115-F184 HydrophobicContact CZ-CD2 4.46Å; F115-F184 HydrophobicContact CZ-CE1 4.27Å; F115-F184 HydrophobicContact CZ-CG 4.22Å; V170-F184 HydrophobicContact CG1-CZ 4.3Å; V170-F184 HydrophobicContact CG2-CE1 4.01Å; V170-F184 HydrophobicContact CG2-CZ 3.8Å; I182-F184 HydrophobicContact CG2-CD1 4.08Å; I182-F184 HydrophobicContact CG2-CE1 3.68Å; F184-V194 HydrophobicContact CB-CG2 4.39Å; F184-V194 HydrophobicContact CD2-CG1 4.31Å; F184-L197 HydrophobicContact CE2-CD1 4.18Å; F184-M198 HydrophobicContact CE2-SD 4.37Å; F184-F201 AromaticContact CE2-CE2 3.89Å; F184-F201 HydrophobicContact CE2-CE2 3.89Å; F184-F201 HydrophobicContact CZ-CE2 4.01Å; F184-F201 HydrophobicContact CZ-CZ 4.48Å; F184-P214 HydrophobicContact CD1-CB 4.03Å; F184-P214 HydrophobicContact CD1-CG 4.5Å; F184-P214 HydrophobicContact CD2-CB 4.09Å; F184-P214 HydrophobicContact CD2-CG 3.7Å; F184-P214 HydrophobicContact CE1-CB 4.14Å; F184-P214 HydrophobicContact CE1-CG 4.46Å; F184-P214 HydrophobicContact CE2-CB 4.22Å; F184-P214 HydrophobicContact CE2-CG 3.68Å; F184-P214 HydrophobicContact CG-CB 3.99Å; F184-P214 HydrophobicContact CG-CG 4.12Å; F184-P214 HydrophobicContact CZ-CB 4.23Å; F184-P214 HydrophobicContact CZ-CG 4.07Å; F184-G216 PolarHBondContact N-O 2.96Å; F184-G216 VanDerWaalsContact N-O 3.08Å; F184-I217 HydrophobicContact CB-CG1 4.3Å; F184-I217 CarbonylContact O-C 3.48Å; F184-I217 WeakPolarHBondContact O-CA 3.29Å; F184-I218 PolarHBondContact O-N 3.14Å
185W98.8Very high97.2Very high1 Ų122 Ų220%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-120.8108.8168.6-171.3-59.8000109.3F112 I113 Y114 F115 I130 L134 I218 D220 L276 L325 I329F112-W185 HydrophobicContact CD1-CB 4.38Å; F112-W185 HydrophobicContact CE1-CE3 4.32Å; I113-W185 PolarHBondContact O-N 2.88Å; Y114-W185 CarbonylContact C-O 3.57Å; Y114-W185 WeakPolarHBondContact CA-O 3.17Å; Y114-W185 HydrophobicContact CD2-CB 3.94Å; Y114-W185 AromaticContact CD2-CD1 3.52Å; Y114-W185 AromaticContact CD2-CG 3.75Å; Y114-W185 HydrophobicContact CD2-CG 3.75Å; Y114-W185 AromaticContact CE2-CD1 3.27Å; Y114-W185 AromaticContact CE2-CG 3.93Å; Y114-W185 HydrophobicContact CE2-CG 3.93Å; Y114-W185 AromaticContact CE2-NE1 3.64Å; F115-W185 PolarHBondContact N-O 2.68Å; I130-W185 HydrophobicContact CG2-CD2 4.41Å; I130-W185 HydrophobicContact CG2-CZ2 4.39Å; L134-W185 HydrophobicContact CD1-CE3 4.31Å; L134-W185 HydrophobicContact CD2-CE3 4.17Å; L134-W185 HydrophobicContact CD2-CZ3 4.15Å; W185-I218 CarbonylContact C-O 3.55Å; W185-I218 WeakPolarHBondContact CA-O 3.35Å; W185-I218 HydrophobicContact CD2-CB 4.03Å; W185-I218 HydrophobicContact CD2-CG2 3.84Å; W185-I218 HydrophobicContact CE3-CB 3.86Å; W185-I218 HydrophobicContact CE3-CD1 3.55Å; W185-I218 HydrophobicContact CE3-CG1 4.25Å; W185-I218 HydrophobicContact CE3-CG2 3.8Å; W185-I218 HydrophobicContact CG-CB 4.43Å; W185-I218 HydrophobicContact CH2-CD1 4.41Å; W185-I218 HydrophobicContact CH2-CG2 3.96Å; W185-I218 HydrophobicContact CZ2-CG2 4.01Å; W185-I218 HydrophobicContact CZ3-CB 4.29Å; W185-I218 HydrophobicContact CZ3-CD1 3.47Å; W185-I218 VanDerWaalsContact CZ3-CD1 3.47Å; W185-I218 HydrophobicContact CZ3-CG1 4.45Å; W185-I218 HydrophobicContact CZ3-CG2 3.86Å; W185-D220 HydrophobicContact CZ2-CB 4.25Å; W185-L276 HydrophobicContact CH2-CD1 3.83Å; W185-L276 HydrophobicContact CZ2-CD1 3.92Å; W185-L325 HydrophobicContact CH2-CD1 4.28Å; W185-L325 HydrophobicContact CH2-CD2 4.32Å; W185-I329 HydrophobicContact CH2-CD1 3.95Å; W185-I329 HydrophobicContact CH2-CG1 4.4Å; W185-I329 HydrophobicContact CZ3-CD1 3.63Å; W185-I329 HydrophobicContact CZ3-CG1 3.93Å
186G98.7Very high97.3Very high0 Ų013.9 Ų13.90%08%0.083CC..EExtended strand (participates in β ladder)trans-100.3131.2173.200000111.1T191 I218 D220G186-T191 VanDerWaalsContact O-CG2 3.26Å; G186-T191 WeakPolarHBondContact O-CG2 3.3Å; G186-I218 PolarHBondContact N-O 3.01Å; G186-D220 PolarHBondContact O-N 3.24Å
187H98.6Very high97.4Very high4 Ų410.7 Ų10.72%0.0197%0.07CC..EExtended strand (participates in β ladder)trans-115.6130.4171.8174.8-114.9000111.2Y114 F115 H116 G117 L189 G190 D220 H316Y114-H187 VanDerWaalsContact OH-CB 3.29Å; Y114-H187 WeakPolarHBondContact OH-CB 3.5Å; F115-H187 PolarHBondContact O-N 2.65Å; H116-H187 CarbonylContact C-O 3.55Å; G117-H187 WeakPolarHBondContact CA-O 3.24Å; G117-H187 PolarHBondContact N-O 3.01Å; G117-H187 VanDerWaalsContact N-O 3.1Å; H187-L189 PolarHBondContact O-N 3.48Å; H187-G190 WeakPolarHBondContact O-CA 3.27Å; H187-G190 PolarHBondContact O-N 3.23Å; H187-D220 CarbonylContact C-O 3.39Å; H187-D220 WeakPolarHBondContact CA-O 3.38Å; H187-D220 HydrophobicContact CB-CB 4.4Å; H187-D220 PolarHBondContact CD2-O 2.58Å; H187-D220 IonicContact CD2-OD1 2.72Å; H187-D220 IonicContact CD2-OD2 3.24Å; H187-D220 PolarHBondContact CD2-OD2 2.99Å; H187-H316 AromaticContact CE1-NE2 3.95Å; H187-H316 PolarHBondContact CE1-O 3.26Å; H187-H316 PolarHBondContact NE2-O 2.92Å
188S97.8Very high97.5Very high10 Ų1010.5 Ų10.57%0.077%0.07CC..THydrogen-bonded Turntrans53.5-121174.1-174.20000110.9G190 T191 D220 F223 H316S188-G190 PolarHBondContact O-N 2.89Å; S188-G190 VanDerWaalsContact O-N 3.07Å; S188-T191 WeakPolarHBondContact O-CB 3.45Å; S188-T191 PolarHBondContact O-N 3.35Å; S188-T191 PolarHBondContact O-OG1 2.79Å; S188-D220 PolarHBondContact N-O 2.98Å; S188-F223 WeakPolarHBondContact O-CE1 3.44Å; S188-H316 VanDerWaalsContact CB-NE2 3.27Å; S188-H316 WeakPolarHBondContact CB-NE2 3.48Å; S188-H316 PolarHBondContact OG-CE1 2.91Å; S188-H316 VanDerWaalsContact OG-CE1 3.24Å; S188-H316 PolarHBondContact OG-NE2 3.26Å
189L97.1Very high97.6Very high8 Ų88.3 Ų8.34%0.0425%0.053CC..Hα-helixtrans-48.3-36.8173.2-177.464.7000113.6F37 N118 H187 T191 G192 V193 F260F37-L189 HydrophobicContact CD1-CD2 4.02Å; F37-L189 HydrophobicContact CE1-CD2 3.99Å; N118-L189 HydrophobicContact CB-CB 4.12Å; N118-L189 HydrophobicContact CB-CD2 4.04Å; H187-L189 PolarHBondContact O-N 3.48Å; L189-T191 PolarHBondContact O-N 3.37Å; L189-G192 PolarHBondContact O-N 2.89Å; L189-V193 PolarHBondContact O-N 3.23Å; L189-F260 HydrophobicContact CD1-CD1 4.11Å; L189-F260 HydrophobicContact CD1-CD2 3.92Å; L189-F260 HydrophobicContact CD1-CE1 3.96Å; L189-F260 HydrophobicContact CD1-CE2 3.76Å; L189-F260 HydrophobicContact CD1-CG 4.08Å; L189-F260 HydrophobicContact CD1-CZ 3.77Å
190G98.1Very high97.6Very high0 Ų05.3 Ų5.30%03%0.029CC..Hα-helixtrans-60.2-25177.900000113.8H116 H187 S188 G192 V193 V194H116-G190 PolarHBondContact O-N 3.19Å; H187-G190 WeakPolarHBondContact O-CA 3.27Å; H187-G190 PolarHBondContact O-N 3.23Å; S188-G190 PolarHBondContact O-N 2.89Å; S188-G190 VanDerWaalsContact O-N 3.07Å; G190-G192 VanDerWaalsContact C-N 3.35Å; G190-V193 PolarHBondContact O-N 3.46Å; G190-V194 WeakPolarHBondContact O-CG2 3.28Å; G190-V194 PolarHBondContact O-N 3.44Å
191T98.6Very high97.4Very high0 Ų05.4 Ų5.40%03%0.03CC..Hα-helixtrans-67.8-38174.4710000111.4G186 S188 L189 V193 V194 G195 L219 P222G186-T191 VanDerWaalsContact O-CG2 3.26Å; G186-T191 WeakPolarHBondContact O-CG2 3.3Å; S188-T191 WeakPolarHBondContact O-CB 3.45Å; S188-T191 PolarHBondContact O-N 3.35Å; S188-T191 PolarHBondContact O-OG1 2.79Å; L189-T191 PolarHBondContact O-N 3.37Å; T191-V193 VanDerWaalsContact C-N 3.34Å; T191-V194 PolarHBondContact O-N 2.94Å; T191-G195 PolarHBondContact O-N 3.4Å; T191-L219 HydrophobicContact CG2-CB 4.06Å; T191-L219 HydrophobicContact CG2-CD2 4.14Å; T191-P222 HydrophobicContact CG2-CB 3.8Å; T191-P222 WeakPolarHBondContact OG1-CA 3.27Å
192G98.1Very high97Very high0 Ų08.1 Ų8.10%04%0.044CC..Hα-helixtrans-66.7-37.7173.700000112L189 G190 G195 C196 T262L189-G192 PolarHBondContact O-N 2.89Å; G190-G192 VanDerWaalsContact C-N 3.35Å; G192-G195 PolarHBondContact O-N 3.05Å; G192-C196 PolarHBondContact O-N 3.27Å; G192-C196 PolarHBondContact O-SG 3.35Å; G192-C196 VanDerWaalsContact O-SG 3.37Å; G192-T262 WeakPolarHBondContact CA-OG1 3.37Å
193V98.2Very high96.6Very high0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-65.2-44.7175179.30000111.4F115 Y146 C162 S166 L189 G190 T191 G195 C196 L197 F260F115-V193 HydrophobicContact CD1-CG1 4.33Å; Y146-V193 HydrophobicContact CE1-CG1 4.11Å; Y146-V193 HydrophobicContact CE1-CG2 4.45Å; C162-V193 HydrophobicContact CB-CG1 4.27Å; C162-V193 HydrophobicContact CB-CG2 3.77Å; S166-V193 WeakPolarHBondContact OG-CG1 3.29Å; L189-V193 PolarHBondContact O-N 3.23Å; G190-V193 PolarHBondContact O-N 3.46Å; T191-V193 VanDerWaalsContact C-N 3.34Å; V193-G195 VanDerWaalsContact C-N 3.27Å; V193-G195 PolarHBondContact O-N 2.77Å; V193-C196 WeakPolarHBondContact O-CB 3.35Å; V193-C196 PolarHBondContact O-N 3.14Å; V193-C196 VanDerWaalsContact O-N 3.15Å; V193-L197 PolarHBondContact O-N 3.1Å; V193-F260 HydrophobicContact CG2-CD1 4.39Å; V193-F260 HydrophobicContact CG2-CE1 3.83Å
194V98.5Very high95.9Very high0 Ų019.5 Ų19.50%09%0.094CC..Hα-helixtrans-58.8-41.4172.5168.20000110.9F115 F184 G190 T191 L197 M198 I217 L219F115-V194 HydrophobicContact CB-CG2 4.13Å; F115-V194 HydrophobicContact CD2-CG2 3.41Å; F115-V194 VanDerWaalsContact CD2-CG2 3.41Å; F115-V194 HydrophobicContact CE2-CG2 3.95Å; F115-V194 HydrophobicContact CG-CG2 3.8Å; F184-V194 HydrophobicContact CB-CG2 4.39Å; F184-V194 HydrophobicContact CD2-CG1 4.31Å; G190-V194 WeakPolarHBondContact O-CG2 3.28Å; G190-V194 PolarHBondContact O-N 3.44Å; T191-V194 PolarHBondContact O-N 2.94Å; V194-L197 WeakPolarHBondContact O-CB 3.34Å; V194-L197 PolarHBondContact O-N 2.89Å; V194-M198 WeakPolarHBondContact O-CG 3.43Å; V194-M198 PolarHBondContact O-N 2.89Å; V194-I217 HydrophobicContact CG1-CD1 4.36Å; V194-I217 HydrophobicContact CG1-CG2 3.72Å; V194-L219 HydrophobicContact CB-CD2 4.28Å; V194-L219 HydrophobicContact CG1-CD2 4.03Å
195G97.9Very high94.8Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-54.5-55.1170.500000111.9T191 G192 V193 L197 M198 D199 N265T191-G195 PolarHBondContact O-N 3.4Å; G192-G195 PolarHBondContact O-N 3.05Å; V193-G195 VanDerWaalsContact C-N 3.27Å; V193-G195 PolarHBondContact O-N 2.77Å; G195-L197 VanDerWaalsContact C-N 3.28Å; G195-L197 PolarHBondContact O-N 3.46Å; G195-M198 PolarHBondContact O-N 3.31Å; G195-M198 VanDerWaalsContact O-N 3.11Å; G195-D199 PolarHBondContact O-N 3.38Å; G195-N265 WeakPolarHBondContact O-CB 3.5Å
196C96.8Very high93.4Very high9 Ų931.4 Ų31.46%0.06116%0.155CC..Hα-helixtrans-54.8-40.8177.6-67.70000113.1L163 G192 V193 H200L163-C196 HydrophobicContact CB-CB 4.38Å; L163-C196 HydrophobicContact CD1-CB 4.32Å; G192-C196 PolarHBondContact O-N 3.27Å; G192-C196 PolarHBondContact O-SG 3.35Å; G192-C196 VanDerWaalsContact O-SG 3.37Å; V193-C196 WeakPolarHBondContact O-CB 3.35Å; V193-C196 PolarHBondContact O-N 3.14Å; V193-C196 VanDerWaalsContact O-N 3.15Å; C196-H200 WeakPolarHBondContact O-CB 3.41Å; C196-H200 PolarHBondContact O-N 3.3Å
197L96.6Very high92.2Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-61.1-48.1175.2-82.9170.9000111.9F115 L163 L167 V170 F184 V193 V194 G195 H200 F201F115-L197 HydrophobicContact CD1-CD1 4.3Å; F115-L197 HydrophobicContact CE1-CD1 3.54Å; F115-L197 HydrophobicContact CE2-CD1 4.46Å; F115-L197 HydrophobicContact CZ-CD1 3.62Å; L163-L197 HydrophobicContact CD1-CB 4.44Å; L163-L197 HydrophobicContact CD1-CD2 3.72Å; L163-L197 HydrophobicContact CD1-CG 4.03Å; L167-L197 HydrophobicContact CB-CD2 4.36Å; L167-L197 HydrophobicContact CD1-CD2 4.41Å; V170-L197 HydrophobicContact CG2-CD1 4.39Å; F184-L197 HydrophobicContact CE2-CD1 4.18Å; V193-L197 PolarHBondContact O-N 3.1Å; V194-L197 WeakPolarHBondContact O-CB 3.34Å; V194-L197 PolarHBondContact O-N 2.89Å; G195-L197 VanDerWaalsContact C-N 3.28Å; G195-L197 PolarHBondContact O-N 3.46Å; L197-H200 WeakPolarHBondContact O-CB 3.39Å; L197-H200 PolarHBondContact O-N 2.82Å; L197-F201 HydrophobicContact CB-CE2 4.35Å; L197-F201 HydrophobicContact CB-CZ 4.42Å; L197-F201 HydrophobicContact CD2-CE1 4.32Å; L197-F201 HydrophobicContact CD2-CZ 3.97Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 WeakPolarHBondContact O-CG 3.34Å; L197-F201 PolarHBondContact O-N 3.45Å
198M96.3Very high91Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-66.5-38.3-178.9-68.3-50.4-55.300112.4F184 V194 G195 H200 F201 N202 L213 P214 I217 L266 I271F184-M198 HydrophobicContact CE2-SD 4.37Å; V194-M198 WeakPolarHBondContact O-CG 3.43Å; V194-M198 PolarHBondContact O-N 2.89Å; G195-M198 PolarHBondContact O-N 3.31Å; G195-M198 VanDerWaalsContact O-N 3.11Å; M198-H200 VanDerWaalsContact C-N 3.34Å; M198-F201 HydrophobicContact CE-CD2 4.4Å; M198-F201 PolarHBondContact O-N 3.41Å; M198-F201 HydrophobicContact SD-CD2 3.84Å; M198-F201 HydrophobicContact SD-CE2 4.33Å; M198-N202 WeakPolarHBondContact O-CB 3.2Å; M198-N202 VanDerWaalsContact O-CG 3.24Å; M198-N202 PolarHBondContact O-N 2.86Å; M198-N202 PolarHBondContact O-ND2 2.94Å; M198-L213 HydrophobicContact CE-CD2 4.23Å; M198-P214 HydrophobicContact SD-CG 3.99Å; M198-I217 HydrophobicContact CG-CD1 3.81Å; M198-I217 HydrophobicContact SD-CD1 3.88Å; M198-L266 HydrophobicContact CB-CD2 3.74Å; M198-L266 HydrophobicContact CG-CD2 3.82Å; M198-I271 HydrophobicContact CE-CG1 3.71Å
199D95.1Very high89.6Confident39 Ų3940 Ų4021%0.20922%0.219CC..Hα-helixtrans-62.3-42.4173179.268.2000111.6G195 N202 K203 N265G195-D199 PolarHBondContact O-N 3.38Å; D199-N202 PolarHBondContact O-N 3.36Å; D199-K203 WeakPolarHBondContact O-CG 3.33Å; D199-K203 PolarHBondContact O-N 2.81Å; D199-K203 VanDerWaalsContact O-N 3.17Å; D199-K203 WeakPolarHBondContact OD1-CE 3.46Å; D199-K203 IonicContact OD1-NZ 3.46Å; D199-K203 PolarHBondContact OD1-NZ 2.72Å; D199-K203 WeakPolarHBondContact OD2-CE 3.36Å; D199-K203 IonicContact OD2-NZ 3.81Å; D199-K203 PolarHBondContact OD2-NZ 3Å; D199-N265 HydrophobicContact CB-CB 3.82Å
200H94.1Very high88.8Confident24 Ų2445.9 Ų45.911%0.11125%0.251CS..Hα-helixtrans-63.1-46.1174.3178.473.7000111.6L163 C196 L197 M198 N202 K203 E204L163-H200 HydrophobicContact CD1-CB 4.08Å; L163-H200 HydrophobicContact CD2-CB 4.3Å; C196-H200 WeakPolarHBondContact O-CB 3.41Å; C196-H200 PolarHBondContact O-N 3.3Å; L197-H200 WeakPolarHBondContact O-CB 3.39Å; L197-H200 PolarHBondContact O-N 2.82Å; M198-H200 VanDerWaalsContact C-N 3.34Å; H200-N202 VanDerWaalsContact C-N 3.34Å; H200-N202 PolarHBondContact O-N 3.47Å; H200-K203 PolarHBondContact O-N 2.79Å; H200-E204 IonicContact CE1-OE1 3.55Å; H200-E204 IonicContact CE1-OE2 3.14Å; H200-E204 PolarHBondContact CE1-OE2 3.48Å; H200-E204 IonicContact ND1-OE1 2.87Å; H200-E204 PolarHBondContact ND1-OE1 3.21Å; H200-E204 IonicContact ND1-OE2 2.71Å; H200-E204 WeakPolarHBondContact O-CB 3.43Å; H200-E204 PolarHBondContact O-N 3.18Å
201F93.8Very high88.4Confident2 Ų246.8 Ų46.81%0.00926%0.255CS..Hα-helixtrans-60.8-41.4176.2-62.6-21.6000112.4L167 V170 F184 L197 M198 K203 H205 L208 I211 L213L167-F201 HydrophobicContact CD1-CE1 3.7Å; L167-F201 HydrophobicContact CD1-CZ 4.43Å; V170-F201 HydrophobicContact CG1-CZ 4.13Å; F184-F201 AromaticContact CE2-CE2 3.89Å; F184-F201 HydrophobicContact CE2-CE2 3.89Å; F184-F201 HydrophobicContact CZ-CE2 4.01Å; F184-F201 HydrophobicContact CZ-CZ 4.48Å; L197-F201 HydrophobicContact CB-CE2 4.35Å; L197-F201 HydrophobicContact CB-CZ 4.42Å; L197-F201 HydrophobicContact CD2-CE1 4.32Å; L197-F201 HydrophobicContact CD2-CZ 3.97Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 WeakPolarHBondContact O-CG 3.34Å; L197-F201 PolarHBondContact O-N 3.45Å; M198-F201 HydrophobicContact CE-CD2 4.4Å; M198-F201 PolarHBondContact O-N 3.41Å; M198-F201 HydrophobicContact SD-CD2 3.84Å; M198-F201 HydrophobicContact SD-CE2 4.33Å; F201-K203 VanDerWaalsContact C-N 3.26Å; F201-K203 PolarHBondContact O-N 3.48Å; F201-H205 WeakPolarHBondContact O-CA 3.43Å; F201-H205 WeakPolarHBondContact O-CB 3.11Å; F201-H205 PolarHBondContact O-N 2.99Å; F201-L208 HydrophobicContact CD1-CD1 3.67Å; F201-L208 HydrophobicContact CE1-CD1 4.11Å; F201-I211 HydrophobicContact CD1-CG2 4.45Å; F201-I211 HydrophobicContact CE1-CD1 4.18Å; F201-I211 HydrophobicContact CE1-CG2 3.8Å; F201-I211 HydrophobicContact CE2-CG2 4.48Å; F201-I211 HydrophobicContact CZ-CG2 3.82Å; F201-L213 HydrophobicContact CB-CD2 3.72Å; F201-L213 HydrophobicContact CD2-CD2 3.7Å; F201-L213 HydrophobicContact CG-CD2 3.99Å
202N88.7Confident88Confident72 Ų7250 Ų5039%0.38527%0.267SS..Hα-helixtrans-64.9-29.8178.2-75.3-18.1000113.1M198 D199 H200M198-N202 WeakPolarHBondContact O-CB 3.2Å; M198-N202 VanDerWaalsContact O-CG 3.24Å; M198-N202 PolarHBondContact O-N 2.86Å; M198-N202 PolarHBondContact O-ND2 2.94Å; D199-N202 PolarHBondContact O-N 3.36Å; H200-N202 VanDerWaalsContact C-N 3.34Å; H200-N202 PolarHBondContact O-N 3.47Å
203K89.3Confident87.8Confident145 Ų14552.3 Ų52.363%0.6328%0.28SS*.Hα-helixtrans-90.4-32.5-178.4-71.6170.4-178.4164.90113.5D199 H200 F201D199-K203 WeakPolarHBondContact O-CG 3.33Å; D199-K203 PolarHBondContact O-N 2.81Å; D199-K203 VanDerWaalsContact O-N 3.17Å; D199-K203 WeakPolarHBondContact OD1-CE 3.46Å; D199-K203 IonicContact OD1-NZ 3.46Å; D199-K203 PolarHBondContact OD1-NZ 2.72Å; D199-K203 WeakPolarHBondContact OD2-CE 3.36Å; D199-K203 IonicContact OD2-NZ 3.81Å; D199-K203 PolarHBondContact OD2-NZ 3Å; H200-K203 PolarHBondContact O-N 2.79Å; F201-K203 VanDerWaalsContact C-N 3.26Å; F201-K203 PolarHBondContact O-N 3.48Å
204E85Confident87.8Confident95 Ų9552.4 Ų52.444%0.44428%0.28SS..Hα-helixtrans-124.917.4-168.1-64.6-171.5-146.300113.1H200 D206 S207H200-E204 IonicContact CE1-OE1 3.55Å; H200-E204 IonicContact CE1-OE2 3.14Å; H200-E204 PolarHBondContact CE1-OE2 3.48Å; H200-E204 IonicContact ND1-OE1 2.87Å; H200-E204 PolarHBondContact ND1-OE1 3.21Å; H200-E204 IonicContact ND1-OE2 2.71Å; H200-E204 WeakPolarHBondContact O-CB 3.43Å; H200-E204 PolarHBondContact O-N 3.18Å; E204-D206 PolarHBondContact O-N 3.18Å; E204-S207 PolarHBondContact O-N 3.24Å; E204-S207 PolarHBondContact O-OG 3.01Å
205H73.9Confident87.7Confident94 Ų9457.4 Ų57.444%0.43530%0.302SS..G310 helixtrans-46.5-45.5-175.1-169.5-94.5000113.6F201 S207 L208F201-H205 WeakPolarHBondContact O-CA 3.43Å; F201-H205 WeakPolarHBondContact O-CB 3.11Å; F201-H205 PolarHBondContact O-N 2.99Å; H205-S207 VanDerWaalsContact C-N 3.28Å; H205-S207 PolarHBondContact O-N 2.99Å; H205-L208 PolarHBondContact O-N 3.28Å
206D70.8Confident87.7Confident158 Ų15857.4 Ų57.485%0.84530%0.302SS*.G310 helixtrans-70.8-20.3-175.2-63-24.2000113.9E204E204-D206 PolarHBondContact O-N 3.18Å
207S72.4Confident87.8Confident81 Ų8157 Ų5757%0.56630%0.299SS*.G310 helixtrans-84.8-12.7177.675.30000112.7E204 H205 A209E204-S207 PolarHBondContact O-N 3.24Å; E204-S207 PolarHBondContact O-OG 3.01Å; H205-S207 VanDerWaalsContact C-N 3.28Å; H205-S207 PolarHBondContact O-N 2.99Å; S207-A209 PolarHBondContact O-N 2.97Å
208L74.6Confident87.9Confident22 Ų2257 Ų5712%0.11530%0.299CS..  trans-101.159.3-171.8-60.9170.5000111.5L167 F201 H205 N210 I211L167-L208 HydrophobicContact CD1-CD2 4.49Å; F201-L208 HydrophobicContact CD1-CD1 3.67Å; F201-L208 HydrophobicContact CE1-CD1 4.11Å; H205-L208 PolarHBondContact O-N 3.28Å; L208-N210 PolarHBondContact O-N 2.89Å; L208-I211 HydrophobicContact CB-CB 4.09Å; L208-I211 HydrophobicContact CB-CD1 3.99Å; L208-I211 HydrophobicContact CB-CG1 4.11Å; L208-I211 HydrophobicContact CD1-CD1 4.15Å; L208-I211 HydrophobicContact CD2-CD1 3.91Å; L208-I211 HydrophobicContact CG-CD1 4.23Å; L208-I211 PolarHBondContact O-N 3.46Å
209A68.4Low88Confident91 Ų9157 Ų5775%0.75230%0.299SS*.THydrogen-bonded Turntrans-551.2-167.100000118.1S207S207-A209 PolarHBondContact O-N 2.97Å
210N80.1Confident88.2Confident132 Ų13255.3 Ų55.371%0.70629%0.29SS*.THydrogen-bonded Turntrans-141.516.1177-65.4-68.6000113.6C174 L208C174-N210 VanDerWaalsContact CB-O 3.23Å; C174-N210 WeakPolarHBondContact CB-O 3.18Å; L208-N210 PolarHBondContact O-N 2.89Å
211I89.5Confident88.4Confident18 Ų1854.2 Ų54.29%0.09229%0.285CS..PPolyproline II helixtrans-102.7128.1177.7-59.5-172.8000109.1L167 V170 Q171 F201 L208L167-I211 HydrophobicContact CD1-CD1 3.36Å; L167-I211 HydrophobicContact CG-CD1 4.27Å; V170-I211 HydrophobicContact CG1-CG2 3.82Å; Q171-I211 HydrophobicContact CG-CD1 3.39Å; Q171-I211 HydrophobicContact CG-CG1 3.62Å; F201-I211 HydrophobicContact CD1-CG2 4.45Å; F201-I211 HydrophobicContact CE1-CD1 4.18Å; F201-I211 HydrophobicContact CE1-CG2 3.8Å; F201-I211 HydrophobicContact CE2-CG2 4.48Å; F201-I211 HydrophobicContact CZ-CG2 3.82Å; L208-I211 HydrophobicContact CB-CB 4.09Å; L208-I211 HydrophobicContact CB-CD1 3.99Å; L208-I211 HydrophobicContact CB-CG1 4.11Å; L208-I211 HydrophobicContact CD1-CD1 4.15Å; L208-I211 HydrophobicContact CD2-CD1 3.91Å; L208-I211 HydrophobicContact CG-CD1 4.23Å; L208-I211 PolarHBondContact O-N 3.46Å
212R90.4Very high88.6Confident68 Ų6854.1 Ų54.126%0.25729%0.285SS..PPolyproline II helixtrans-101136.3172.8-63.2-178.6-63.9109.51.2108.8F177 P178 A180F177-R212 PolarHBondContact O-NH2 3Å; P178-R212 PolarHBondContact O-NE 3.28Å; P178-R212 VanDerWaalsContact O-NE 3.17Å; A180-R212 PolarHBondContact O-NH1 3.38Å; A180-R212 PolarHBondContact O-NH2 3.22Å
213L93.9Very high89.1Confident49 Ų4950.9 Ų50.926%0.25727%0.267SS..PPolyproline II helixtrans-59.8144171.7-66.1177.9000110.4M198 F201 I271M198-L213 HydrophobicContact CE-CD2 4.23Å; F201-L213 HydrophobicContact CB-CD2 3.72Å; F201-L213 HydrophobicContact CD2-CD2 3.7Å; F201-L213 HydrophobicContact CG-CD2 3.99Å; L213-I271 HydrophobicContact CB-CD1 4.14Å; L213-I271 HydrophobicContact CD1-CD1 4.37Å
214P96.9Very high89.5Confident1 Ų144 Ų441%0.00624%0.237CC..PPolyproline II helixtrans-63149.9173.529.3-35.7000110.5I182 F184 M198 I217 I271I182-P214 CarbonylContact O-C 3.57Å; I182-P214 WeakPolarHBondContact O-CA 3.45Å; F184-P214 HydrophobicContact CD1-CB 4.03Å; F184-P214 HydrophobicContact CD1-CG 4.5Å; F184-P214 HydrophobicContact CD2-CB 4.09Å; F184-P214 HydrophobicContact CD2-CG 3.7Å; F184-P214 HydrophobicContact CE1-CB 4.14Å; F184-P214 HydrophobicContact CE1-CG 4.46Å; F184-P214 HydrophobicContact CE2-CB 4.22Å; F184-P214 HydrophobicContact CE2-CG 3.68Å; F184-P214 HydrophobicContact CG-CB 3.99Å; F184-P214 HydrophobicContact CG-CG 4.12Å; F184-P214 HydrophobicContact CZ-CB 4.23Å; F184-P214 HydrophobicContact CZ-CG 4.07Å; M198-P214 HydrophobicContact SD-CG 3.99Å; P214-I217 HydrophobicContact CG-CD1 4.34Å; P214-I217 HydrophobicContact CG-CG1 4.09Å; P214-I271 HydrophobicContact CG-CG1 4.34Å; P214-I271 HydrophobicContact CG-CG2 4.31Å; P214-I271 VanDerWaalsContact O-CD1 3.23Å; P214-I271 WeakPolarHBondContact O-CD1 3.3Å; P214-I271 WeakPolarHBondContact O-CG2 3.35Å
215K97.2Very high90Very high105 Ų10540.2 Ų40.246%0.45722%0.221SC..SBendtrans-78.8-23.2174-65.6-59.8-172.9176.20112.7P181 I182 F183 T336 L337P181-K215 HydrophobicContact CB-CG 3.73Å; I182-K215 PolarHBondContact O-N 3.1Å; F183-K215 HydrophobicContact CE1-CB 3.96Å; F183-K215 HydrophobicContact CE2-CB 4.22Å; F183-K215 HydrophobicContact CZ-CB 3.76Å; K215-T336 WeakPolarHBondContact O-CB 3.39Å; K215-L337 HydrophobicContact CG-CD2 4.22Å
216G98Very high91Very high0 Ų036.6 Ų36.60%021%0.205CC..EExtended strand (participates in β ladder)trans-161.9153.4176.600000111.9F183 F184 F332F183-G216 WeakPolarHBondContact CA-O 3.4Å; F184-G216 PolarHBondContact N-O 2.96Å; F184-G216 VanDerWaalsContact N-O 3.08Å; G216-F332 VanDerWaalsContact CA-CZ 3.49Å
217I98.7Very high92Very high0 Ų029.4 Ų29.40%017%0.167CC..EExtended strand (participates in β ladder)trans-123.3130.1178.8-61.4166.9000109.5F184 V194 M198 P214 L219 I271 P272 I273 I274F184-I217 HydrophobicContact CB-CG1 4.3Å; F184-I217 CarbonylContact O-C 3.48Å; F184-I217 WeakPolarHBondContact O-CA 3.29Å; V194-I217 HydrophobicContact CG1-CD1 4.36Å; V194-I217 HydrophobicContact CG1-CG2 3.72Å; M198-I217 HydrophobicContact CG-CD1 3.81Å; M198-I217 HydrophobicContact SD-CD1 3.88Å; P214-I217 HydrophobicContact CG-CD1 4.34Å; P214-I217 HydrophobicContact CG-CG1 4.09Å; I217-L219 HydrophobicContact CG2-CD2 3.56Å; I217-L219 HydrophobicContact CG2-CG 3.91Å; I217-I271 HydrophobicContact CD1-CB 4.05Å; I217-I271 HydrophobicContact CD1-CG2 4.07Å; I217-I271 HydrophobicContact CG1-CB 4.5Å; I217-I271 HydrophobicContact CG1-CG2 3.96Å; I217-P272 PolarHBondContact N-O 3.17Å; I217-I273 HydrophobicContact CB-CG1 4.26Å; I217-I273 HydrophobicContact CD1-CG1 4.48Å; I217-I273 CarbonylContact O-C 3.59Å; I217-I273 VanDerWaalsContact O-CA 3.31Å; I217-I273 WeakPolarHBondContact O-CA 3.38Å; I217-I274 PolarHBondContact O-N 3.18Å
218I98.7Very high93.1Very high2 Ų227 Ų271%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-108122.7168.3-58.6179.6000108.2F112 F184 W185 G186 I274 L276 I329 F332F112-I218 HydrophobicContact CE1-CD1 4.05Å; F184-I218 PolarHBondContact O-N 3.14Å; W185-I218 CarbonylContact C-O 3.55Å; W185-I218 WeakPolarHBondContact CA-O 3.35Å; W185-I218 HydrophobicContact CD2-CB 4.03Å; W185-I218 HydrophobicContact CD2-CG2 3.84Å; W185-I218 HydrophobicContact CE3-CB 3.86Å; W185-I218 HydrophobicContact CE3-CD1 3.55Å; W185-I218 HydrophobicContact CE3-CG1 4.25Å; W185-I218 HydrophobicContact CE3-CG2 3.8Å; W185-I218 HydrophobicContact CG-CB 4.43Å; W185-I218 HydrophobicContact CH2-CD1 4.41Å; W185-I218 HydrophobicContact CH2-CG2 3.96Å; W185-I218 HydrophobicContact CZ2-CG2 4.01Å; W185-I218 HydrophobicContact CZ3-CB 4.29Å; W185-I218 HydrophobicContact CZ3-CD1 3.47Å; W185-I218 VanDerWaalsContact CZ3-CD1 3.47Å; W185-I218 HydrophobicContact CZ3-CG1 4.45Å; W185-I218 HydrophobicContact CZ3-CG2 3.86Å; G186-I218 PolarHBondContact N-O 3.01Å; I218-I274 CarbonylContact C-O 3.57Å; I218-I274 WeakPolarHBondContact CA-O 3.34Å; I218-L276 HydrophobicContact CG2-CD1 3.71Å; I218-L276 HydrophobicContact CG2-CG 4.07Å; I218-I329 HydrophobicContact CD1-CG1 4.25Å; I218-F332 HydrophobicContact CD1-CD1 4Å; I218-F332 HydrophobicContact CD1-CE1 4.33Å; I218-F332 HydrophobicContact CG1-CD1 3.9Å; I218-F332 HydrophobicContact CG1-CE1 3.75Å
219L98.8Very high94Very high0 Ų026.5 Ų26.50%015%0.145CC..EExtended strand (participates in β ladder)trans-109.8109175.1-58.2-176.6000109.3T191 V194 I217 P222 L266 I273 I274 I275 L276 L292T191-L219 HydrophobicContact CG2-CB 4.06Å; T191-L219 HydrophobicContact CG2-CD2 4.14Å; V194-L219 HydrophobicContact CB-CD2 4.28Å; V194-L219 HydrophobicContact CG1-CD2 4.03Å; I217-L219 HydrophobicContact CG2-CD2 3.56Å; I217-L219 HydrophobicContact CG2-CG 3.91Å; L219-P222 HydrophobicContact CB-CB 4.1Å; L219-P222 HydrophobicContact CB-CG 4.12Å; L219-L266 HydrophobicContact CD1-CD1 3.7Å; L219-I273 HydrophobicContact CD1-CG2 3.79Å; L219-I273 HydrophobicContact CG-CG2 3.9Å; L219-I274 PolarHBondContact N-O 3.41Å; L219-I275 HydrophobicContact CB-CG1 4.17Å; L219-I275 HydrophobicContact CD1-CG1 4.29Å; L219-I275 CarbonylContact O-C 3.56Å; L219-I275 WeakPolarHBondContact O-CA 3.07Å; L219-L276 PolarHBondContact O-N 3.05Å; L219-L292 HydrophobicContact CD1-CD2 4.31Å
220D98.6Very high95.1Very high3 Ų323.6 Ų23.62%0.01612%0.117CC..EExtended strand (participates in β ladder)trans-100.4119.8-179.8-178.93000110.5W185 G186 H187 S188 I319W185-D220 HydrophobicContact CZ2-CB 4.25Å; G186-D220 PolarHBondContact O-N 3.24Å; H187-D220 CarbonylContact C-O 3.39Å; H187-D220 WeakPolarHBondContact CA-O 3.38Å; H187-D220 HydrophobicContact CB-CB 4.4Å; H187-D220 PolarHBondContact CD2-O 2.58Å; H187-D220 IonicContact CD2-OD1 2.72Å; H187-D220 IonicContact CD2-OD2 3.24Å; H187-D220 PolarHBondContact CD2-OD2 2.99Å; S188-D220 PolarHBondContact N-O 2.98Å; D220-I319 WeakPolarHBondContact OD1-CD1 3.47Å
221A98.4Very high95.5Very high1 Ų118 Ų181%0.0089%0.086CC..SBendtrans50.855.2-173.200000114L276 D281A221-L276 PolarHBondContact N-O 2.91Å; A221-D281 WeakPolarHBondContact CB-OD2 3.4Å
222P98.6Very high95.5Very high0 Ų020.5 Ų20.50%010%0.098CC..  trans-76.2166.5-17832.4-35.1000113.2T191 L219 I275 V284 L292T191-P222 HydrophobicContact CG2-CB 3.8Å; T191-P222 WeakPolarHBondContact OG1-CA 3.27Å; L219-P222 HydrophobicContact CB-CB 4.1Å; L219-P222 HydrophobicContact CB-CG 4.12Å; P222-I275 HydrophobicContact CG-CB 4.45Å; P222-I275 HydrophobicContact CG-CG1 4.24Å; P222-I275 HydrophobicContact CG-CG2 3.51Å; P222-V284 WeakPolarHBondContact O-CG1 3.45Å; P222-L292 HydrophobicContact CB-CD2 3.75Å; P222-L292 HydrophobicContact CG-CD2 4.08Å
223F98.3Very high95.3Very high4 Ų422.4 Ų22.42%0.01811%0.105CC..  trans-132157.5171.153.1-95.3000110.8S188 C225 L226 V229 F260 T262 V284 L288S188-F223 WeakPolarHBondContact O-CE1 3.44Å; F223-C225 WeakPolarHBondContact CD2-O 3.35Å; F223-L226 HydrophobicContact CE2-CB 4.5Å; F223-V229 HydrophobicContact CB-CG2 3.37Å; F223-V229 HydrophobicContact CD1-CG2 3.88Å; F223-V229 HydrophobicContact CD2-CG2 4.07Å; F223-V229 HydrophobicContact CG-CG2 3.49Å; F223-V229 VanDerWaalsContact CG-CG2 3.49Å; F223-F260 HydrophobicContact CE2-CB 3.78Å; F223-F260 WeakPolarHBondContact CE2-O 3.33Å; F223-F260 HydrophobicContact CZ-CB 4.03Å; F223-T262 WeakPolarHBondContact O-CB 3.44Å; F223-T262 PolarHBondContact O-OG1 2.91Å; F223-V284 HydrophobicContact CB-CG1 3.97Å; F223-V284 HydrophobicContact CD1-CG2 4.45Å; F223-L288 HydrophobicContact CB-CB 4.41Å; F223-L288 HydrophobicContact CB-CD1 4.15Å
224T97.7Very high94.7Very high0 Ų026.4 Ų26.40%013%0.125CC..SBendtrans-63.8-53.517541.10000112.3D228 N261 T262 Q263 K291 L292 I295T224-D228 WeakPolarHBondContact CB-OD2 3.35Å; T224-D228 WeakPolarHBondContact OG1-CB 3.39Å; T224-D228 PolarHBondContact OG1-OD2 3.04Å; T224-N261 CarbonylContact O-C 3.59Å; T224-T262 WeakPolarHBondContact O-CB 3.48Å; T224-T262 PolarHBondContact O-N 3.21Å; T224-Q263 PolarHBondContact O-N 3.42Å; T224-K291 HydrophobicContact CG2-CB 4.33Å; T224-K291 HydrophobicContact CG2-CD 4.06Å; T224-K291 HydrophobicContact CG2-CG 4.06Å; T224-L292 HydrophobicContact CG2-CB 4.22Å; T224-I295 HydrophobicContact CG2-CD1 4.28Å
225C96.5Very high94.1Very high15 Ų1531.8 Ų31.810%0.10115%0.148CC..  trans-153.6161.6171.763.70000110.8F223 T227 D228 V229 F260 N261F223-C225 WeakPolarHBondContact CD2-O 3.35Å; C225-T227 PolarHBondContact O-N 3.41Å; C225-T227 PolarHBondContact SG-OG1 3.21Å; C225-D228 PolarHBondContact O-N 3.42Å; C225-D228 VanDerWaalsContact O-N 3.12Å; C225-V229 PolarHBondContact O-N 3.01Å; C225-F260 WeakPolarHBondContact CA-O 3.45Å; C225-N261 HydrophobicContact CB-CB 4.47Å
226L94.5Very high93.6Very high19 Ų1926.8 Ų26.810%0.09913%0.127CC..Hα-helixtrans-62.4-34.5-176.8-177.961000112.1V36 F223 D228 V229 I230 M253 L258 S259 F260V36-L226 HydrophobicContact CG1-CD2 3.62Å; V36-L226 HydrophobicContact CG2-CD2 4.1Å; F223-L226 HydrophobicContact CE2-CB 4.5Å; L226-D228 VanDerWaalsContact C-N 3.29Å; L226-D228 PolarHBondContact O-N 2.9Å; L226-V229 WeakPolarHBondContact O-CB 3.48Å; L226-V229 PolarHBondContact O-N 3.3Å; L226-I230 HydrophobicContact CG-CD1 4.16Å; L226-I230 WeakPolarHBondContact O-CG1 3.49Å; L226-I230 PolarHBondContact O-N 3Å; L226-M253 HydrophobicContact CD2-CE 3.79Å; L226-M253 HydrophobicContact CG-CE 4.36Å; L226-L258 HydrophobicContact CD2-CB 4.45Å; L226-S259 WeakPolarHBondContact CB-O 3.41Å; L226-S259 PolarHBondContact N-O 3.05Å; L226-F260 HydrophobicContact CB-CB 4.29Å; L226-F260 HydrophobicContact CB-CD2 4.36Å; L226-F260 HydrophobicContact CD2-CD2 4Å; L226-F260 HydrophobicContact CD2-CE2 4.49Å
227T92.7Very high92.9Very high6 Ų632.3 Ų32.34%0.03715%0.151CC..Hα-helixtrans-63.7-34177.145.20000112.5C225 I230 H231 V250 M253C225-T227 PolarHBondContact O-N 3.41Å; C225-T227 PolarHBondContact SG-OG1 3.21Å; T227-I230 PolarHBondContact O-N 3.17Å; T227-H231 WeakPolarHBondContact O-CB 3.45Å; T227-H231 PolarHBondContact O-N 3.25Å; T227-H231 PolarHBondContact O-ND1 3.03Å; T227-H231 VanDerWaalsContact O-ND1 3.16Å; T227-V250 HydrophobicContact CG2-CG2 4.05Å; T227-M253 HydrophobicContact CG2-CB 3.78Å; T227-M253 HydrophobicContact CG2-CG 3.69Å
228D93.8Very high92.1Very high32 Ų3235.4 Ų35.417%0.17117%0.171CC..Hα-helixtrans-65.6-42.6175.5-77.6-0.7000110.5T224 C225 L226 I230 H231 H232 L288 K291T224-D228 WeakPolarHBondContact CB-OD2 3.35Å; T224-D228 WeakPolarHBondContact OG1-CB 3.39Å; T224-D228 PolarHBondContact OG1-OD2 3.04Å; C225-D228 PolarHBondContact O-N 3.42Å; C225-D228 VanDerWaalsContact O-N 3.12Å; L226-D228 VanDerWaalsContact C-N 3.29Å; L226-D228 PolarHBondContact O-N 2.9Å; D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.38Å; D228-H231 PolarHBondContact O-N 3.5Å; D228-H232 PolarHBondContact O-CD2 3.12Å; D228-H232 VanDerWaalsContact O-CD2 3.24Å; D228-H232 PolarHBondContact O-N 3.32Å; D228-L288 HydrophobicContact CB-CD1 4.08Å; D228-L288 HydrophobicContact CB-CD2 3.88Å; D228-K291 IonicContact OD2-NZ 3.22Å
229V93.8Very high91.4Very high10 Ų1035.3 Ų35.36%0.06117%0.171CC..Hα-helixtrans-58.7-43.3173-176.10000111.3F223 C225 L226 H232 L288F223-V229 HydrophobicContact CB-CG2 3.37Å; F223-V229 HydrophobicContact CD1-CG2 3.88Å; F223-V229 HydrophobicContact CD2-CG2 4.07Å; F223-V229 HydrophobicContact CG-CG2 3.49Å; F223-V229 VanDerWaalsContact CG-CG2 3.49Å; C225-V229 PolarHBondContact O-N 3.01Å; L226-V229 WeakPolarHBondContact O-CB 3.48Å; L226-V229 PolarHBondContact O-N 3.3Å; V229-H232 PolarHBondContact O-N 3.42Å; V229-L288 HydrophobicContact CG2-CD1 3.92Å
230I91.1Very high90.5Very high30 Ų3040.5 Ų40.515%0.15419%0.19CC..Hα-helixtrans-63.3-49.7178.3-67.8167000110.7L226 T227 D228 H232 R233 M236 L249 M253L226-I230 HydrophobicContact CG-CD1 4.16Å; L226-I230 WeakPolarHBondContact O-CG1 3.49Å; L226-I230 PolarHBondContact O-N 3Å; T227-I230 PolarHBondContact O-N 3.17Å; D228-I230 VanDerWaalsContact C-N 3.31Å; D228-I230 PolarHBondContact O-N 3.38Å; I230-H232 PolarHBondContact O-N 3.24Å; I230-R233 WeakPolarHBondContact O-CB 3.29Å; I230-R233 PolarHBondContact O-N 3.28Å; I230-M236 HydrophobicContact CG2-CE 4.14Å; I230-M236 HydrophobicContact CG2-CG 4.03Å; I230-M236 HydrophobicContact CG2-SD 4.47Å; I230-M236 WeakPolarHBondContact O-CB 3.26Å; I230-M236 WeakPolarHBondContact O-CG 3.28Å; I230-L249 HydrophobicContact CG2-CD2 4.3Å; I230-M253 HydrophobicContact CD1-CE 3.78Å; I230-M253 HydrophobicContact CD1-SD 4.45Å
231H89.7Confident89.8Confident14 Ų1447.6 Ų47.67%0.06523%0.227CC..Hα-helixtrans-61.4-23.7178.2-67.3147.3000113.1T227 D228 R233 R240T227-H231 WeakPolarHBondContact O-CB 3.45Å; T227-H231 PolarHBondContact O-N 3.25Å; T227-H231 PolarHBondContact O-ND1 3.03Å; T227-H231 VanDerWaalsContact O-ND1 3.16Å; D228-H231 PolarHBondContact O-N 3.5Å; H231-R233 VanDerWaalsContact C-N 3.31Å; H231-R233 PolarHBondContact O-N 3.31Å; H231-R240 PolarHBondContact O-NE 2.9Å; H231-R240 PolarHBondContact O-NH2 3.26Å
232H88.3Confident89.3Confident72 Ų7251.2 Ų51.233%0.33325%0.245SC..Hα-helixtrans-74.3-17.5175.2-92.4-93.2000114.7D228 V229 I230 R240 P285D228-H232 PolarHBondContact O-CD2 3.12Å; D228-H232 VanDerWaalsContact O-CD2 3.24Å; D228-H232 PolarHBondContact O-N 3.32Å; V229-H232 PolarHBondContact O-N 3.42Å; I230-H232 PolarHBondContact O-N 3.24Å; H232-R240 PolarHBondContact O-NH2 2.97Å; H232-R240 VanDerWaalsContact O-NH2 3.14Å; H232-P285 HydrophobicContact CB-CG 3.35Å; H232-P285 WeakPolarHBondContact ND1-CG 3.49Å
233R86.8Confident88.9Confident108 Ų10855.7 Ų55.741%0.40827%0.274SS..SBendtrans-67.6145.6178.3-60.7-169.2179-80-7.1111.8I230 H231 F235 M236I230-R233 WeakPolarHBondContact O-CB 3.29Å; I230-R233 PolarHBondContact O-N 3.28Å; H231-R233 VanDerWaalsContact C-N 3.31Å; H231-R233 PolarHBondContact O-N 3.31Å; R233-F235 VanDerWaalsContact C-N 3.28Å; R233-F235 HydrophobicContact CB-CD1 3.8Å; R233-F235 HydrophobicContact CB-CE1 3.59Å; R233-F235 HydrophobicContact CB-CZ 4.33Å; R233-F235 VanDerWaalsContact CD-CE1 3.47Å; R233-F235 HydrophobicContact CG-CE1 4.16Å; R233-F235 PolarHBondContact O-N 3.28Å; R233-M236 WeakPolarHBondContact O-CA 3.39Å; R233-M236 WeakPolarHBondContact O-CB 3.17Å; R233-M236 PolarHBondContact O-N 2.82Å
234I81.9Confident88.5Confident132 Ų13261.6 Ų61.668%0.67730%0.304SS*.G310 helixtrans-56.9-39-174.8-168.4161.3000113.4M236 K237I234-M236 PolarHBondContact O-N 3.37Å; I234-K237 HydrophobicContact CG1-CD 4.2Å; I234-K237 WeakPolarHBondContact O-CB 3.17Å; I234-K237 WeakPolarHBondContact O-CG 3.34Å; I234-K237 PolarHBondContact O-N 2.94Å; I234-K237 VanDerWaalsContact O-N 3.16Å
235F84Confident88.1Confident114 Ų11462.1 Ų62.150%0.531%0.307SS..G310 helixtrans-69-17.8178.574.1-94.5000113Y18 R233Y18-F235 HydrophobicContact CE2-CD2 4.5Å; Y18-F235 WeakPolarHBondContact CE2-O 3.41Å; Y18-F235 PolarHBondContact OH-O 3.28Å; R233-F235 VanDerWaalsContact C-N 3.28Å; R233-F235 HydrophobicContact CB-CD1 3.8Å; R233-F235 HydrophobicContact CB-CE1 3.59Å; R233-F235 HydrophobicContact CB-CZ 4.33Å; R233-F235 VanDerWaalsContact CD-CE1 3.47Å; R233-F235 HydrophobicContact CG-CE1 4.16Å; R233-F235 PolarHBondContact O-N 3.28Å
236M87.2Confident87.7Confident0 Ų063.9 Ų63.90%031%0.314CS..G310 helixtrans-91.11.4176.1-65-60.1-74.500113Y18 L21 I230 R233 I234 Y239 R240 L249Y18-M236 HydrophobicContact CE2-SD 4.44Å; L21-M236 HydrophobicContact CD2-CE 4.18Å; L21-M236 HydrophobicContact CD2-SD 4.13Å; I230-M236 HydrophobicContact CG2-CE 4.14Å; I230-M236 HydrophobicContact CG2-CG 4.03Å; I230-M236 HydrophobicContact CG2-SD 4.47Å; I230-M236 WeakPolarHBondContact O-CB 3.26Å; I230-M236 WeakPolarHBondContact O-CG 3.28Å; R233-M236 WeakPolarHBondContact O-CA 3.39Å; R233-M236 WeakPolarHBondContact O-CB 3.17Å; R233-M236 PolarHBondContact O-N 2.82Å; I234-M236 PolarHBondContact O-N 3.37Å; M236-Y239 HydrophobicContact CE-CD1 3.72Å; M236-Y239 HydrophobicContact CE-CD2 3.57Å; M236-Y239 HydrophobicContact CE-CE1 4.17Å; M236-Y239 HydrophobicContact CE-CE2 4.11Å; M236-Y239 HydrophobicContact CE-CG 3.43Å; M236-Y239 VanDerWaalsContact CE-CG 3.43Å; M236-Y239 VanDerWaalsContact O-CB 3.3Å; M236-Y239 WeakPolarHBondContact O-CB 3.37Å; M236-Y239 PolarHBondContact O-N 3.29Å; M236-Y239 HydrophobicContact SD-CD2 3.88Å; M236-Y239 HydrophobicContact SD-CE2 4.35Å; M236-Y239 HydrophobicContact SD-CG 4.29Å; M236-R240 PolarHBondContact O-N 3Å; M236-L249 HydrophobicContact CE-CD2 3.44Å; M236-L249 VanDerWaalsContact CE-CD2 3.44Å
237K82.8Confident87.5Confident116 Ų11665 Ų6550%0.50433%0.331SS..THydrogen-bonded Turntrans-53.7-45.1176.1-77.2-177.1178.4-174.40112.8I234 Y239 R240I234-K237 HydrophobicContact CG1-CD 4.2Å; I234-K237 WeakPolarHBondContact O-CB 3.17Å; I234-K237 WeakPolarHBondContact O-CG 3.34Å; I234-K237 PolarHBondContact O-N 2.94Å; I234-K237 VanDerWaalsContact O-N 3.16Å; K237-Y239 VanDerWaalsContact C-N 3.34Å; K237-Y239 PolarHBondContact O-N 2.92Å; K237-R240 WeakPolarHBondContact O-CB 3.33Å; K237-R240 PolarHBondContact O-N 3.01Å
238P82.8Confident87.5Confident66 Ų6671.8 Ų71.843%0.42936%0.355SS..G310 helixtrans-61-36.2174.6-22.429.8000114.2Y18 R240 L241Y18-P238 HydrophobicContact CE1-CB 3.98Å; Y18-P238 WeakPolarHBondContact OH-CB 3.43Å; Y18-P238 VanDerWaalsContact OH-CD 3.22Å; Y18-P238 WeakPolarHBondContact OH-CD 3.09Å; Y18-P238 WeakPolarHBondContact OH-CG 3.49Å; P238-R240 PolarHBondContact O-N 3.36Å; P238-R240 VanDerWaalsContact O-N 3.16Å; P238-L241 PolarHBondContact O-N 3.34Å
239Y83.3Confident87.4Confident0 Ų070.4 Ų70.40%035%0.348CS..G310 helixtrans-55.5-31.7172.7-98.1-104.7000112Y18 L21 P22 M236 K237 L241 M242 L245 Q246Y18-Y239 HydrophobicContact CD1-CD2 4.04Å; Y18-Y239 AromaticContact CD1-CE2 3.54Å; Y18-Y239 HydrophobicContact CD1-CE2 3.54Å; Y18-Y239 HydrophobicContact CD2-CE2 4.06Å; Y18-Y239 AromaticContact CE1-CD2 3.26Å; Y18-Y239 HydrophobicContact CE1-CD2 3.26Å; Y18-Y239 AromaticContact CE1-CE2 3.26Å; Y18-Y239 HydrophobicContact CE1-CE2 3.26Å; Y18-Y239 HydrophobicContact CE1-CG 4.46Å; Y18-Y239 AromaticContact CE2-CD2 3.86Å; Y18-Y239 HydrophobicContact CE2-CD2 3.86Å; Y18-Y239 AromaticContact CE2-CE2 3.82Å; Y18-Y239 HydrophobicContact CE2-CE2 3.82Å; Y18-Y239 AromaticContact CG-CE2 3.96Å; Y18-Y239 HydrophobicContact CG-CE2 3.96Å; Y18-Y239 AromaticContact CZ-CD2 3.2Å; Y18-Y239 AromaticContact CZ-CE2 3.47Å; Y18-Y239 VanDerWaalsContact CZ-CE2 3.47Å; Y18-Y239 WeakPolarHBondContact O-CE2 3.47Å; Y18-Y239 PolarHBondContact O-OH 3.41Å; Y18-Y239 VanDerWaalsContact OH-CD2 3.31Å; Y18-Y239 WeakPolarHBondContact OH-CD2 3.36Å; Y18-Y239 PolarHBondContact OH-N 3.15Å; L21-Y239 HydrophobicContact CD2-CE2 4.47Å; P22-Y239 WeakPolarHBondContact CD-OH 3.49Å; P22-Y239 HydrophobicContact CG-CE1 4.48Å; M236-Y239 HydrophobicContact CE-CD1 3.72Å; M236-Y239 HydrophobicContact CE-CD2 3.57Å; M236-Y239 HydrophobicContact CE-CE1 4.17Å; M236-Y239 HydrophobicContact CE-CE2 4.11Å; M236-Y239 HydrophobicContact CE-CG 3.43Å; M236-Y239 VanDerWaalsContact CE-CG 3.43Å; M236-Y239 VanDerWaalsContact O-CB 3.3Å; M236-Y239 WeakPolarHBondContact O-CB 3.37Å; M236-Y239 PolarHBondContact O-N 3.29Å; M236-Y239 HydrophobicContact SD-CD2 3.88Å; M236-Y239 HydrophobicContact SD-CE2 4.35Å; M236-Y239 HydrophobicContact SD-CG 4.29Å; K237-Y239 VanDerWaalsContact C-N 3.34Å; K237-Y239 PolarHBondContact O-N 2.92Å; Y239-L241 PolarHBondContact O-N 3.32Å; Y239-L241 VanDerWaalsContact O-N 3.16Å; Y239-M242 CarbonylContact O-C 3.41Å; Y239-M242 PolarHBondContact O-N 2.95Å; Y239-L245 HydrophobicContact CD1-CB 3.79Å; Y239-L245 HydrophobicContact CE1-CB 3.48Å; Y239-L245 VanDerWaalsContact CE1-CB 3.48Å; Y239-L245 HydrophobicContact CE1-CD1 4.33Å; Y239-L245 HydrophobicContact CE1-CG 4.49Å; Y239-Q246 HydrophobicContact CD1-CG 4.5Å; Y239-Q246 VanDerWaalsContact O-CG 3.27Å; Y239-Q246 WeakPolarHBondContact O-CG 3.44Å; Y239-Q246 PolarHBondContact O-NE2 3.11Å
240R79.7Confident87.3Confident108 Ų10872.2 Ų72.241%0.40836%0.359SS..G310 helixtrans-59.7-26.5178.8-59.2-171.6-170.4169.18113.3H231 H232 M236 K237 P238 Q246H231-R240 PolarHBondContact O-NE 2.9Å; H231-R240 PolarHBondContact O-NH2 3.26Å; H232-R240 PolarHBondContact O-NH2 2.97Å; H232-R240 VanDerWaalsContact O-NH2 3.14Å; M236-R240 PolarHBondContact O-N 3Å; K237-R240 WeakPolarHBondContact O-CB 3.33Å; K237-R240 PolarHBondContact O-N 3.01Å; P238-R240 PolarHBondContact O-N 3.36Å; P238-R240 VanDerWaalsContact O-N 3.16Å; R240-Q246 VanDerWaalsContact C-NE2 3.26Å; R240-Q246 PolarHBondContact O-NE2 2.85Å
241L84.5Confident87.4Confident152 Ų15273.2 Ų73.280%0.79637%0.369SS*.G310 helixtrans-90.90177.4-57.3177.3000113.1P238 Y239 P243P238-L241 PolarHBondContact O-N 3.34Å; Y239-L241 PolarHBondContact O-N 3.32Å; Y239-L241 VanDerWaalsContact O-N 3.16Å; L241-P243 WeakPolarHBondContact O-CD 3.36Å
242M88.3Confident87.5Confident78 Ų7872.6 Ų72.638%0.38437%0.366SS..  trans-125.375.4-176.3-58.4-178.179.600110.9Y239 I244 L245 Q246Y239-M242 CarbonylContact O-C 3.41Å; Y239-M242 PolarHBondContact O-N 2.95Å; M242-I244 PolarHBondContact O-N 3.24Å; M242-I244 VanDerWaalsContact O-N 3.13Å; M242-L245 HydrophobicContact CB-CB 4.11Å; M242-L245 HydrophobicContact CB-CD1 4.14Å; M242-L245 HydrophobicContact CB-CG 4.2Å; M242-L245 HydrophobicContact CE-CD1 3.4Å; M242-L245 HydrophobicContact CE-CG 4.12Å; M242-L245 PolarHBondContact O-N 3.36Å; M242-L245 HydrophobicContact SD-CD1 3.63Å; M242-Q246 PolarHBondContact O-N 2.73Å; M242-Q246 VanDerWaalsContact O-N 3.11Å
243P88.5Confident87.7Confident93 Ų9369.4 Ų69.460%0.60435%0.351SS*.Hα-helixtrans-55.2-35.3-174.6-26.934.9000114.1L241 L245 Q246 G247L241-P243 WeakPolarHBondContact O-CD 3.36Å; P243-L245 VanDerWaalsContact C-N 3.34Å; P243-L245 PolarHBondContact O-N 3.47Å; P243-Q246 PolarHBondContact O-N 2.89Å; P243-G247 PolarHBondContact O-N 3.33Å
244I90.4Very high87.9Confident128 Ų12867.8 Ų67.866%0.65635%0.351SS*.Hα-helixtrans-60.6-44.2176.5-61.5172.7000110.9M242 G247 R248M242-I244 PolarHBondContact O-N 3.24Å; M242-I244 VanDerWaalsContact O-N 3.13Å; I244-G247 PolarHBondContact O-N 3.43Å; I244-R248 WeakPolarHBondContact O-CG 3.46Å; I244-R248 PolarHBondContact O-N 2.9Å
245L89.9Confident88.3Confident12 Ų1267.7 Ų67.76%0.06335%0.345CS..Hα-helixtrans-71.4-35.3179.3-67.6-173.8000111.8I19 Y239 M242 P243 R248 L249I19-L245 HydrophobicContact CG1-CD1 4.42Å; I19-L245 HydrophobicContact CG2-CD1 4.48Å; I19-L245 HydrophobicContact CG2-CD2 4.37Å; Y239-L245 HydrophobicContact CD1-CB 3.79Å; Y239-L245 HydrophobicContact CE1-CB 3.48Å; Y239-L245 VanDerWaalsContact CE1-CB 3.48Å; Y239-L245 HydrophobicContact CE1-CD1 4.33Å; Y239-L245 HydrophobicContact CE1-CG 4.49Å; M242-L245 HydrophobicContact CB-CB 4.11Å; M242-L245 HydrophobicContact CB-CD1 4.14Å; M242-L245 HydrophobicContact CB-CG 4.2Å; M242-L245 HydrophobicContact CE-CD1 3.4Å; M242-L245 HydrophobicContact CE-CG 4.12Å; M242-L245 PolarHBondContact O-N 3.36Å; M242-L245 HydrophobicContact SD-CD1 3.63Å; P243-L245 VanDerWaalsContact C-N 3.34Å; P243-L245 PolarHBondContact O-N 3.47Å; L245-R248 PolarHBondContact O-N 3.31Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 PolarHBondContact O-N 2.87Å
246Q88.8Confident88.6Confident51 Ų5162.8 Ų62.824%0.23833%0.325CS..Hα-helixtrans-60.1-50.6171.8-68.2175.443.300111.4Y239 R240 M242 P243 R248 L249 V250Y239-Q246 HydrophobicContact CD1-CG 4.5Å; Y239-Q246 VanDerWaalsContact O-CG 3.27Å; Y239-Q246 WeakPolarHBondContact O-CG 3.44Å; Y239-Q246 PolarHBondContact O-NE2 3.11Å; R240-Q246 VanDerWaalsContact C-NE2 3.26Å; R240-Q246 PolarHBondContact O-NE2 2.85Å; M242-Q246 PolarHBondContact O-N 2.73Å; M242-Q246 VanDerWaalsContact O-N 3.11Å; P243-Q246 PolarHBondContact O-N 2.89Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 2.91Å; Q246-L249 PolarHBondContact O-N 3.27Å; Q246-L249 VanDerWaalsContact O-N 3.08Å; Q246-V250 WeakPolarHBondContact O-CG2 3.39Å; Q246-V250 PolarHBondContact O-N 3.4Å
247G90.4Very high88.6Confident44 Ų4468.7 Ų68.745%0.45435%0.35SS..Hα-helixtrans-59.6-39.3178.500000112.3P243 I244 V250 S251P243-G247 PolarHBondContact O-N 3.33Å; I244-G247 PolarHBondContact O-N 3.43Å; G247-V250 PolarHBondContact O-N 2.73Å; G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.87Å
248R92.5Very high89Confident148 Ų14863.2 Ų63.256%0.55833%0.326SS*.Hα-helixtrans-64.4-42173.2-74.2-179.3179.9-1730.4112.5P22 I244 L245 Q246 S251 A252P22-R248 HydrophobicContact CB-CB 3.82Å; P22-R248 HydrophobicContact CG-CB 3.91Å; I244-R248 WeakPolarHBondContact O-CG 3.46Å; I244-R248 PolarHBondContact O-N 2.9Å; L245-R248 PolarHBondContact O-N 3.31Å; Q246-R248 VanDerWaalsContact C-N 3.28Å; Q246-R248 PolarHBondContact O-N 2.91Å; R248-S251 PolarHBondContact O-N 3.24Å; R248-A252 WeakPolarHBondContact O-CB 3.35Å; R248-A252 PolarHBondContact O-N 2.87Å
249L91.4Very high89.5Confident3 Ų360.7 Ų60.72%0.01631%0.311CS..Hα-helixtrans-64.4-44177.3-175.760.9000111.3L21 P22 V25 I230 M236 L245 Q246 S251 A252 M253L21-L249 HydrophobicContact CD2-CD1 4.39Å; L21-L249 HydrophobicContact CD2-CD2 4.44Å; L21-L249 HydrophobicContact CG-CD1 4.27Å; P22-L249 HydrophobicContact CG-CB 4.16Å; V25-L249 HydrophobicContact CG2-CD1 4.03Å; I230-L249 HydrophobicContact CG2-CD2 4.3Å; M236-L249 HydrophobicContact CE-CD2 3.44Å; M236-L249 VanDerWaalsContact CE-CD2 3.44Å; L245-L249 WeakPolarHBondContact O-CB 3.49Å; L245-L249 PolarHBondContact O-N 2.87Å; Q246-L249 PolarHBondContact O-N 3.27Å; Q246-L249 VanDerWaalsContact O-N 3.08Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 2.72Å; L249-A252 PolarHBondContact O-N 3.28Å; L249-M253 HydrophobicContact CD1-CG 4.3Å; L249-M253 HydrophobicContact CG-CG 4.41Å; L249-M253 WeakPolarHBondContact O-CB 3.5Å; L249-M253 VanDerWaalsContact O-CG 3.26Å; L249-M253 WeakPolarHBondContact O-CG 3.22Å; L249-M253 PolarHBondContact O-N 2.75Å
250V91.5Very high90.1Very high47 Ų4760.7 Ų60.729%0.28531%0.311SS..Hα-helixtrans-58.8-47.5174.7174.10000110.7T227 Q246 G247 A252 M253 N254T227-V250 HydrophobicContact CG2-CG2 4.05Å; Q246-V250 WeakPolarHBondContact O-CG2 3.39Å; Q246-V250 PolarHBondContact O-N 3.4Å; G247-V250 PolarHBondContact O-N 2.73Å; V250-A252 VanDerWaalsContact C-N 3.34Å; V250-A252 PolarHBondContact O-N 3.41Å; V250-M253 PolarHBondContact O-N 3.19Å; V250-N254 WeakPolarHBondContact O-CB 3.43Å; V250-N254 VanDerWaalsContact O-CG 3.24Å; V250-N254 PolarHBondContact O-N 2.71Å; V250-N254 PolarHBondContact O-ND2 2.95Å
251S92.7Very high90.9Very high52 Ų5257.6 Ų57.636%0.36430%0.302SS..Hα-helixtrans-58.7-44.7176-172.40000112.1G247 R248 L249 N254 K255G247-S251 WeakPolarHBondContact O-CB 3.45Å; G247-S251 PolarHBondContact O-N 2.87Å; R248-S251 PolarHBondContact O-N 3.24Å; L249-S251 VanDerWaalsContact C-N 3.35Å; L249-S251 PolarHBondContact O-N 2.72Å; S251-N254 PolarHBondContact O-N 3.31Å; S251-K255 WeakPolarHBondContact O-CG 3.32Å; S251-K255 PolarHBondContact O-N 3.33Å
252A92.4Very high91.5Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-61.7-47.717800000111.8P22 V25 E26 R248 L249 V250 N254 K255 V256P22-A252 HydrophobicContact CB-CB 4.25Å; P22-A252 VanDerWaalsContact O-CB 3.32Å; P22-A252 WeakPolarHBondContact O-CB 3.39Å; V25-A252 HydrophobicContact CB-CB 3.97Å; V25-A252 HydrophobicContact CG1-CB 3.83Å; E26-A252 HydrophobicContact CG-CB 3.82Å; R248-A252 WeakPolarHBondContact O-CB 3.35Å; R248-A252 PolarHBondContact O-N 2.87Å; L249-A252 PolarHBondContact O-N 3.28Å; V250-A252 VanDerWaalsContact C-N 3.34Å; V250-A252 PolarHBondContact O-N 3.41Å; A252-N254 VanDerWaalsContact C-N 3.32Å; A252-N254 PolarHBondContact O-N 2.94Å; A252-K255 PolarHBondContact O-N 3Å; A252-V256 WeakPolarHBondContact O-CG2 3.47Å; A252-V256 PolarHBondContact O-N 3.13Å
253M92.2Very high91.9Very high5 Ų549 Ų493%0.02526%0.257CS..Hα-helixtrans-60.9-40.3177.7-68.4-64.9-68.400111.9V25 V36 L226 T227 I230 L249 V250 V256 K257 L258V25-M253 HydrophobicContact CG1-SD 3.85Å; V25-M253 HydrophobicContact CG2-SD 4.45Å; V36-M253 HydrophobicContact CG2-CE 4.28Å; L226-M253 HydrophobicContact CD2-CE 3.79Å; L226-M253 HydrophobicContact CG-CE 4.36Å; T227-M253 HydrophobicContact CG2-CB 3.78Å; T227-M253 HydrophobicContact CG2-CG 3.69Å; I230-M253 HydrophobicContact CD1-CE 3.78Å; I230-M253 HydrophobicContact CD1-SD 4.45Å; L249-M253 HydrophobicContact CD1-CG 4.3Å; L249-M253 HydrophobicContact CG-CG 4.41Å; L249-M253 WeakPolarHBondContact O-CB 3.5Å; L249-M253 VanDerWaalsContact O-CG 3.26Å; L249-M253 WeakPolarHBondContact O-CG 3.22Å; L249-M253 PolarHBondContact O-N 2.75Å; V250-M253 PolarHBondContact O-N 3.19Å; M253-V256 WeakPolarHBondContact O-CG2 3.49Å; M253-V256 PolarHBondContact O-N 3.46Å; M253-K257 PolarHBondContact O-N 3.13Å; M253-L258 HydrophobicContact CE-CB 3.63Å; M253-L258 HydrophobicContact CE-CD1 4.44Å; M253-L258 WeakPolarHBondContact CE-O 3.22Å; M253-L258 PolarHBondContact O-N 3.23Å
254N90.8Very high92.3Very high75 Ų7547.1 Ų47.140%0.40125%0.246SC..Hα-helixtrans-64.9-42.2174.9-70.8-12000112V250 S251 A252 V256 K257 S259V250-N254 WeakPolarHBondContact O-CB 3.43Å; V250-N254 VanDerWaalsContact O-CG 3.24Å; V250-N254 PolarHBondContact O-N 2.71Å; V250-N254 PolarHBondContact O-ND2 2.95Å; S251-N254 PolarHBondContact O-N 3.31Å; A252-N254 VanDerWaalsContact C-N 3.32Å; A252-N254 PolarHBondContact O-N 2.94Å; N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 2.99Å; N254-K257 PolarHBondContact O-N 2.72Å; N254-K257 VanDerWaalsContact O-N 3.15Å; N254-S259 WeakPolarHBondContact OD1-CB 3.5Å
255K90.4Very high92.6Very high129 Ų12942.1 Ų42.156%0.56122%0.221SC*.Hα-helixtrans-62.8-37177.3-75.4-179.5-166.3172.90112.3E26 S251 A252 K257E26-K255 HydrophobicContact CG-CD 4.18Å; E26-K255 WeakPolarHBondContact OE1-CD 3.44Å; E26-K255 VanDerWaalsContact OE1-CE 3.29Å; E26-K255 WeakPolarHBondContact OE1-CE 3.45Å; E26-K255 IonicContact OE1-NZ 2.65Å; E26-K255 PolarHBondContact OE1-NZ 3.25Å; S251-K255 WeakPolarHBondContact O-CG 3.32Å; S251-K255 PolarHBondContact O-N 3.33Å; A252-K255 PolarHBondContact O-N 3Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.5Å
256V89.5Confident92.9Very high12 Ų1241.6 Ų41.67%0.07322%0.218CC..THydrogen-bonded Turntrans-87.28.9177.5-53.90000113.9V25 P29 A252 M253 N254 L258V25-V256 HydrophobicContact CG1-CG1 4.24Å; V25-V256 HydrophobicContact CG1-CG2 3.83Å; V25-V256 WeakPolarHBondContact O-CG1 3.3Å; P29-V256 HydrophobicContact CB-CB 4.2Å; P29-V256 HydrophobicContact CB-CG1 3.86Å; A252-V256 WeakPolarHBondContact O-CG2 3.47Å; A252-V256 PolarHBondContact O-N 3.13Å; M253-V256 WeakPolarHBondContact O-CG2 3.49Å; M253-V256 PolarHBondContact O-N 3.46Å; N254-V256 VanDerWaalsContact C-N 3.3Å; N254-V256 PolarHBondContact O-N 2.99Å; V256-L258 HydrophobicContact CG2-CB 4.17Å; V256-L258 HydrophobicContact CG2-CD1 3.84Å; V256-L258 HydrophobicContact CG2-CG 4.07Å
257K88.8Confident93.1Very high124 Ų12441.4 Ų41.454%0.53922%0.218SC..THydrogen-bonded Turntrans6044.4176.4-51.2-59.9-174.4177.20113.6G158 E159 M253 N254 K255G158-K257 WeakPolarHBondContact CA-O 3.37Å; E159-K257 WeakPolarHBondContact CG-O 3.39Å; E159-K257 PolarHBondContact N-O 2.99Å; M253-K257 PolarHBondContact O-N 3.13Å; N254-K257 PolarHBondContact O-N 2.72Å; N254-K257 VanDerWaalsContact O-N 3.15Å; K255-K257 VanDerWaalsContact C-N 3.27Å; K255-K257 PolarHBondContact O-N 3.5Å
258L91Very high93Very high0 Ų045 Ų450%023%0.227CC..  trans-127.444.5178.3-66.3173.9000110.7R33 V36 F37 L226 M253 V256 F260R33-L258 HydrophobicContact CG-CD1 4.13Å; V36-L258 HydrophobicContact CB-CD1 4.46Å; V36-L258 HydrophobicContact CG1-CD2 4.3Å; V36-L258 HydrophobicContact CG2-CD1 4.16Å; F37-L258 HydrophobicContact CD2-CD2 4.45Å; F37-L258 HydrophobicContact CE2-CD2 3.48Å; F37-L258 VanDerWaalsContact CE2-CD2 3.48Å; F37-L258 HydrophobicContact CZ-CD2 3.58Å; L226-L258 HydrophobicContact CD2-CB 4.45Å; M253-L258 HydrophobicContact CE-CB 3.63Å; M253-L258 HydrophobicContact CE-CD1 4.44Å; M253-L258 WeakPolarHBondContact CE-O 3.22Å; M253-L258 PolarHBondContact O-N 3.23Å; V256-L258 HydrophobicContact CG2-CB 4.17Å; V256-L258 HydrophobicContact CG2-CD1 3.84Å; V256-L258 HydrophobicContact CG2-CG 4.07Å; L258-F260 HydrophobicContact CD2-CE2 4.28Å
259S92.9Very high93.1Very high14 Ų1438.2 Ų38.210%0.09820%0.202CC..  trans-82.5-43.3-178780000111.6E159 L226 N254 N261E159-S259 PolarHBondContact OE1-OG 3.1Å; E159-S259 WeakPolarHBondContact OE2-CA 3.48Å; E159-S259 PolarHBondContact OE2-N 3Å; E159-S259 PolarHBondContact OE2-OG 3.39Å; L226-S259 WeakPolarHBondContact CB-O 3.41Å; L226-S259 PolarHBondContact N-O 3.05Å; N254-S259 WeakPolarHBondContact OD1-CB 3.5Å; S259-N261 PolarHBondContact O-N 3.41Å; S259-N261 PolarHBondContact OG-N 3.46Å
260F95.5Very high93.1Very high0 Ų042.2 Ų42.20%023%0.228CC..  trans36.555.3-164-66.4-82.4000110.8F37 E159 L189 V193 F223 C225 L226 L258 T262F37-F260 AromaticContact CE1-CE2 3.95Å; F37-F260 HydrophobicContact CE1-CE2 3.95Å; F37-F260 AromaticContact CE1-CZ 3.75Å; F37-F260 HydrophobicContact CE1-CZ 3.75Å; F37-F260 AromaticContact CZ-CE2 3.91Å; F37-F260 HydrophobicContact CZ-CE2 3.91Å; F37-F260 AromaticContact CZ-CZ 3.78Å; F37-F260 HydrophobicContact CZ-CZ 3.78Å; E159-F260 HydrophobicContact CB-CD1 3.91Å; E159-F260 HydrophobicContact CB-CD2 4.28Å; E159-F260 HydrophobicContact CB-CE1 3.5Å; E159-F260 HydrophobicContact CB-CE2 3.91Å; E159-F260 HydrophobicContact CB-CG 4.3Å; E159-F260 HydrophobicContact CB-CZ 3.51Å; E159-F260 PolarHBondContact OE2-N 3.2Å; L189-F260 HydrophobicContact CD1-CD1 4.11Å; L189-F260 HydrophobicContact CD1-CD2 3.92Å; L189-F260 HydrophobicContact CD1-CE1 3.96Å; L189-F260 HydrophobicContact CD1-CE2 3.76Å; L189-F260 HydrophobicContact CD1-CG 4.08Å; L189-F260 HydrophobicContact CD1-CZ 3.77Å; V193-F260 HydrophobicContact CG2-CD1 4.39Å; V193-F260 HydrophobicContact CG2-CE1 3.83Å; F223-F260 HydrophobicContact CE2-CB 3.78Å; F223-F260 WeakPolarHBondContact CE2-O 3.33Å; F223-F260 HydrophobicContact CZ-CB 4.03Å; C225-F260 WeakPolarHBondContact CA-O 3.45Å; L226-F260 HydrophobicContact CB-CB 4.29Å; L226-F260 HydrophobicContact CB-CD2 4.36Å; L226-F260 HydrophobicContact CD2-CD2 4Å; L226-F260 HydrophobicContact CD2-CE2 4.49Å; L258-F260 HydrophobicContact CD2-CE2 4.28Å; F260-T262 PolarHBondContact O-N 3.41Å; F260-T262 PolarHBondContact O-OG1 3.35Å
261N96.4Very high93.3Very high43 Ų4340.8 Ų40.823%0.2322%0.219CC..  trans-75.468.3-174-170.7-0000112T224 C225 S259 Q263 S264 N265T224-N261 CarbonylContact O-C 3.59Å; C225-N261 HydrophobicContact CB-CB 4.47Å; S259-N261 PolarHBondContact O-N 3.41Å; S259-N261 PolarHBondContact OG-N 3.46Å; N261-Q263 PolarHBondContact O-N 2.86Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.26Å; N261-S264 VanDerWaalsContact ND2-CB 3.34Å; N261-S264 WeakPolarHBondContact ND2-CB 3.4Å; N261-S264 PolarHBondContact ND2-OG 3.28Å; N261-S264 PolarHBondContact O-N 3.42Å; N261-S264 PolarHBondContact OD1-N 2.88Å; N261-S264 PolarHBondContact OD1-OG 3.27Å; N261-N265 WeakPolarHBondContact O-CB 3.49Å; N261-N265 PolarHBondContact O-N 2.99Å; N261-N265 PolarHBondContact O-ND2 2.67Å; N261-N265 PolarHBondContact O-OD1 3.16Å
262T97.6Very high93.5Very high0 Ų039.5 Ų39.50%021%0.209CC..Hα-helixtrans-49.9-43.2-178.2-42.60000112.4G192 F223 T224 F260 N265 L266 L292G192-T262 WeakPolarHBondContact CA-OG1 3.37Å; F223-T262 WeakPolarHBondContact O-CB 3.44Å; F223-T262 PolarHBondContact O-OG1 2.91Å; T224-T262 WeakPolarHBondContact O-CB 3.48Å; T224-T262 PolarHBondContact O-N 3.21Å; F260-T262 PolarHBondContact O-N 3.41Å; F260-T262 PolarHBondContact O-OG1 3.35Å; T262-N265 PolarHBondContact O-N 3.06Å; T262-L266 HydrophobicContact CG2-CD1 3.67Å; T262-L266 HydrophobicContact CG2-CG 4.41Å; T262-L266 WeakPolarHBondContact O-CB 3.44Å; T262-L266 WeakPolarHBondContact O-CG 3.21Å; T262-L266 PolarHBondContact O-N 3.16Å; T262-L292 HydrophobicContact CG2-CD1 4.39Å; T262-L292 HydrophobicContact CG2-CD2 3.84Å
263Q96.8Very high93.8Very high49 Ų4939.5 Ų39.523%0.22921%0.209CC..Hα-helixtrans-61.8-46.9-178.359.7168.961.500112.6T224 N261 I267 L292 I295T224-Q263 PolarHBondContact O-N 3.42Å; N261-Q263 PolarHBondContact O-N 2.86Å; N261-Q263 WeakPolarHBondContact OD1-CG 3.26Å; Q263-I267 PolarHBondContact O-N 2.67Å; Q263-L292 HydrophobicContact CB-CD1 3.83Å; Q263-I295 HydrophobicContact CB-CD1 4.3Å; Q263-I295 HydrophobicContact CB-CG2 4.43Å
264S95.9Very high94.1Very high54 Ų5439.3 Ų39.338%0.37821%0.208SC..Hα-helixtrans-74.4-34.8-179.2-650000111N261 L266 I267N261-S264 VanDerWaalsContact ND2-CB 3.34Å; N261-S264 WeakPolarHBondContact ND2-CB 3.4Å; N261-S264 PolarHBondContact ND2-OG 3.28Å; N261-S264 PolarHBondContact O-N 3.42Å; N261-S264 PolarHBondContact OD1-N 2.88Å; N261-S264 PolarHBondContact OD1-OG 3.27Å; S264-L266 VanDerWaalsContact C-N 3.27Å; S264-L266 PolarHBondContact O-N 3.36Å; S264-I267 WeakPolarHBondContact O-CG2 3.45Å
265N96.6Very high94.4Very high23 Ų2335.7 Ų35.712%0.12319%0.189CC..Hα-helixtrans-71.5-22.8-178.3-68.5-1.7000113.1G195 D199 N261 T262G195-N265 WeakPolarHBondContact O-CB 3.5Å; D199-N265 HydrophobicContact CB-CB 3.82Å; N261-N265 WeakPolarHBondContact O-CB 3.49Å; N261-N265 PolarHBondContact O-N 2.99Å; N261-N265 PolarHBondContact O-ND2 2.67Å; N261-N265 PolarHBondContact O-OD1 3.16Å; T262-N265 PolarHBondContact O-N 3.06Å
266L97.2Very high94.8Very high0 Ų029.6 Ų29.60%016%0.162CC..Hα-helixtrans-108.2-2.5-179.4-66.6179.1000114.4M198 L219 T262 S264 N268 C269 I273 L296 T301M198-L266 HydrophobicContact CB-CD2 3.74Å; M198-L266 HydrophobicContact CG-CD2 3.82Å; L219-L266 HydrophobicContact CD1-CD1 3.7Å; T262-L266 HydrophobicContact CG2-CD1 3.67Å; T262-L266 HydrophobicContact CG2-CG 4.41Å; T262-L266 WeakPolarHBondContact O-CB 3.44Å; T262-L266 WeakPolarHBondContact O-CG 3.21Å; T262-L266 PolarHBondContact O-N 3.16Å; S264-L266 VanDerWaalsContact C-N 3.27Å; S264-L266 PolarHBondContact O-N 3.36Å; L266-N268 PolarHBondContact O-N 2.88Å; L266-N268 VanDerWaalsContact O-N 3.1Å; L266-C269 HydrophobicContact CB-CB 4.41Å; L266-C269 HydrophobicContact CD2-CB 4.2Å; L266-C269 WeakPolarHBondContact O-CB 3.47Å; L266-C269 PolarHBondContact O-N 3.38Å; L266-I273 HydrophobicContact CD1-CD1 4.2Å; L266-I273 HydrophobicContact CD2-CD1 4.43Å; L266-L296 HydrophobicContact CB-CD1 4.42Å; L266-L296 HydrophobicContact CB-CD2 3.65Å; L266-L296 WeakPolarHBondContact O-CD2 3.4Å; L266-T301 PolarHBondContact O-OG1 3.15Å
267I93Very high95.2Very high48 Ų4829 Ų2925%0.24616%0.159CC..THydrogen-bonded Turntrans-57.3-31.8-171.8-161.7167.2000114.2Q263 S264 N299 T301Q263-I267 PolarHBondContact O-N 2.67Å; S264-I267 WeakPolarHBondContact O-CG2 3.45Å; I267-N299 HydrophobicContact CD1-CB 4.25Å; I267-N299 WeakPolarHBondContact CD1-OD1 3.46Å; I267-N299 HydrophobicContact CG1-CB 3.49Å; I267-N299 VanDerWaalsContact CG1-CB 3.49Å; I267-T301 PolarHBondContact O-OG1 3.41Å
268N88.2Confident95.7Very high120 Ų12023.1 Ų23.164%0.64213%0.133SC*.THydrogen-bonded Turntrans-115.832.4178-61.1-37.9000110.9L266 P270L266-N268 PolarHBondContact O-N 2.88Å; L266-N268 VanDerWaalsContact O-N 3.1Å; N268-P270 WeakPolarHBondContact O-CD 3.33Å
269C93.9Very high96Very high5 Ų528 Ų283%0.03416%0.156CC..  trans-70.9119.7-179.2-171.60000109.6L266 I271 I273 T301L266-C269 HydrophobicContact CB-CB 4.41Å; L266-C269 HydrophobicContact CD2-CB 4.2Å; L266-C269 WeakPolarHBondContact O-CB 3.47Å; L266-C269 PolarHBondContact O-N 3.38Å; C269-I271 PolarHBondContact O-N 2.85Å; C269-I273 HydrophobicContact CB-CD1 4.22Å; C269-T301 HydrophobicContact CB-CG2 4.08Å
270P92.9Very high96.3Very high87 Ų8729.3 Ų29.357%0.56516%0.162SC*.  trans-78.9-0.8179.833.6-35.9000112.8N268N268-P270 WeakPolarHBondContact O-CD 3.33Å
271I95.7Very high96.4Very high17 Ų1729.8 Ų29.89%0.08717%0.165CC..SBendtrans-101.5135.6-171.8-52.8-50.1000109.6M198 L213 P214 I217 C269 I273M198-I271 HydrophobicContact CE-CG1 3.71Å; L213-I271 HydrophobicContact CB-CD1 4.14Å; L213-I271 HydrophobicContact CD1-CD1 4.37Å; P214-I271 HydrophobicContact CG-CG1 4.34Å; P214-I271 HydrophobicContact CG-CG2 4.31Å; P214-I271 VanDerWaalsContact O-CD1 3.23Å; P214-I271 WeakPolarHBondContact O-CD1 3.3Å; P214-I271 WeakPolarHBondContact O-CG2 3.35Å; I217-I271 HydrophobicContact CD1-CB 4.05Å; I217-I271 HydrophobicContact CD1-CG2 4.07Å; I217-I271 HydrophobicContact CG1-CB 4.5Å; I217-I271 HydrophobicContact CG1-CG2 3.96Å; C269-I271 PolarHBondContact O-N 2.85Å; I271-I273 WeakPolarHBondContact O-CG1 3.22Å; I271-I273 PolarHBondContact O-N 3.41Å
272P96.5Very high96.3Very high25 Ų2532.6 Ų32.616%0.16219%0.194CC..  trans-58.1136.3173.5-26.236.4000112.5I217 S302 F332 T336 L341I217-P272 PolarHBondContact N-O 3.17Å; P272-S302 WeakPolarHBondContact CA-O 3.36Å; P272-F332 HydrophobicContact CB-CE2 4.09Å; P272-F332 WeakPolarHBondContact O-CZ 3.37Å; P272-T336 HydrophobicContact CB-CG2 4.02Å; P272-T336 HydrophobicContact CG-CG2 4.13Å; P272-L341 HydrophobicContact CB-CD1 4.25Å; P272-L341 HydrophobicContact CB-CD2 4.39Å; P272-L341 HydrophobicContact CG-CD1 4.16Å; P272-L341 HydrophobicContact CG-CD2 4.41Å
273I98.1Very high96.2Very high0 Ų035.6 Ų35.60%021%0.212CC..EExtended strand (participates in β ladder)trans-121.7133.3-177.2-53.8-176.3000110.3I217 L219 L266 C269 I271 I275 L296 T301 S302 V303 F304I217-I273 HydrophobicContact CB-CG1 4.26Å; I217-I273 HydrophobicContact CD1-CG1 4.48Å; I217-I273 CarbonylContact O-C 3.59Å; I217-I273 VanDerWaalsContact O-CA 3.31Å; I217-I273 WeakPolarHBondContact O-CA 3.38Å; L219-I273 HydrophobicContact CD1-CG2 3.79Å; L219-I273 HydrophobicContact CG-CG2 3.9Å; L266-I273 HydrophobicContact CD1-CD1 4.2Å; L266-I273 HydrophobicContact CD2-CD1 4.43Å; C269-I273 HydrophobicContact CB-CD1 4.22Å; I271-I273 WeakPolarHBondContact O-CG1 3.22Å; I271-I273 PolarHBondContact O-N 3.41Å; I273-I275 HydrophobicContact CG2-CG1 4.18Å; I273-L296 HydrophobicContact CD1-CD1 4.11Å; I273-T301 HydrophobicContact CD1-CG2 3.9Å; I273-T301 HydrophobicContact CG1-CG2 4.39Å; I273-S302 PolarHBondContact N-O 2.87Å; I273-V303 HydrophobicContact CB-CB 4.43Å; I273-V303 HydrophobicContact CB-CG2 4.19Å; I273-V303 HydrophobicContact CG2-CG2 4.26Å; I273-V303 CarbonylContact O-C 3.55Å; I273-V303 VanDerWaalsContact O-CA 3.29Å; I273-V303 WeakPolarHBondContact O-CA 3.48Å; I273-F304 PolarHBondContact O-N 3.38Å
274I97.8Very high96.2Very high0 Ų033.4 Ų33.40%020%0.202CC..EExtended strand (participates in β ladder)trans-105.3131.7159.7-64.3178.1000108.6I217 I218 L219 L276 F304 I328 F332 L344 I348I217-I274 PolarHBondContact O-N 3.18Å; I218-I274 CarbonylContact C-O 3.57Å; I218-I274 WeakPolarHBondContact CA-O 3.34Å; L219-I274 PolarHBondContact N-O 3.41Å; I274-L276 HydrophobicContact CG2-CD2 3.53Å; I274-L276 HydrophobicContact CG2-CG 4.05Å; I274-F304 CarbonylContact C-O 3.58Å; I274-F304 WeakPolarHBondContact CA-O 3.21Å; I274-F304 HydrophobicContact CG1-CB 4.4Å; I274-F304 HydrophobicContact CG1-CD2 4.36Å; I274-I328 HydrophobicContact CD1-CG2 4.14Å; I274-F332 HydrophobicContact CD1-CB 3.52Å; I274-F332 HydrophobicContact CD1-CD1 4.01Å; I274-F332 HydrophobicContact CD1-CD2 3.34Å; I274-F332 HydrophobicContact CD1-CE2 3.95Å; I274-F332 HydrophobicContact CD1-CG 3.35Å; I274-F332 HydrophobicContact CD1-CZ 4.49Å; I274-F332 HydrophobicContact CG1-CD2 3.68Å; I274-F332 HydrophobicContact CG1-CE2 3.76Å; I274-F332 HydrophobicContact CG1-CG 4.1Å; I274-F332 HydrophobicContact CG1-CZ 4.25Å; I274-L344 HydrophobicContact CD1-CD1 3.86Å; I274-L344 HydrophobicContact CD1-CD2 3.95Å; I274-L344 HydrophobicContact CD1-CG 4.4Å; I274-L344 HydrophobicContact CG1-CD2 4.23Å; I274-I348 HydrophobicContact CD1-CD1 4.05Å; I274-I348 HydrophobicContact CG1-CD1 4.11Å; I274-I348 HydrophobicContact CG2-CD1 4.41Å
275I98.4Very high96.2Very high0 Ų032.2 Ų32.20%019%0.193CC..EExtended strand (participates in β ladder)trans-103.8122.6167.3-67170.4000108.5L219 P222 I273 L292 A293 L296 V303 F304 F305 K306L219-I275 HydrophobicContact CB-CG1 4.17Å; L219-I275 HydrophobicContact CD1-CG1 4.29Å; L219-I275 CarbonylContact O-C 3.56Å; L219-I275 WeakPolarHBondContact O-CA 3.07Å; P222-I275 HydrophobicContact CG-CB 4.45Å; P222-I275 HydrophobicContact CG-CG1 4.24Å; P222-I275 HydrophobicContact CG-CG2 3.51Å; I273-I275 HydrophobicContact CG2-CG1 4.18Å; I275-L292 HydrophobicContact CD1-CB 4.49Å; I275-L292 HydrophobicContact CD1-CD2 4.17Å; I275-L292 HydrophobicContact CD1-CG 4.17Å; I275-A293 HydrophobicContact CD1-CB 3.82Å; I275-L296 HydrophobicContact CD1-CD1 4.43Å; I275-V303 HydrophobicContact CD1-CG2 3.78Å; I275-V303 HydrophobicContact CG1-CG2 4.13Å; I275-F304 PolarHBondContact N-O 3.47Å; I275-F305 HydrophobicContact CB-CD2 3.78Å; I275-F305 HydrophobicContact CB-CE2 4.42Å; I275-F305 HydrophobicContact CG2-CD2 3.4Å; I275-F305 VanDerWaalsContact CG2-CD2 3.4Å; I275-F305 HydrophobicContact CG2-CE2 3.55Å; I275-K306 PolarHBondContact O-N 3.43Å
276L98.5Very high96.3Very high1 Ų132.8 Ų32.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-105.4127.5172.1-54178.2000108.5W185 I218 L219 A221 I274 K306 Y308 I319 L325W185-L276 HydrophobicContact CH2-CD1 3.83Å; W185-L276 HydrophobicContact CZ2-CD1 3.92Å; I218-L276 HydrophobicContact CG2-CD1 3.71Å; I218-L276 HydrophobicContact CG2-CG 4.07Å; L219-L276 PolarHBondContact O-N 3.05Å; A221-L276 PolarHBondContact N-O 2.91Å; I274-L276 HydrophobicContact CG2-CD2 3.53Å; I274-L276 HydrophobicContact CG2-CG 4.05Å; L276-K306 HydrophobicContact CD2-CB 3.77Å; L276-K306 HydrophobicContact CD2-CG 4.24Å; L276-Y308 HydrophobicContact CB-CE2 4.27Å; L276-Y308 HydrophobicContact CD2-CE2 4.28Å; L276-I319 HydrophobicContact CB-CD1 4.33Å; L276-I319 HydrophobicContact CB-CG2 4.35Å; L276-I319 HydrophobicContact CD1-CG2 4.17Å; L276-L325 HydrophobicContact CD1-CD1 3.62Å; L276-L325 HydrophobicContact CD2-CD1 4.45Å
277H98.5Very high96.3Very high0 Ų036.6 Ų36.60%022%0.217CC..EExtended strand (participates in β ladder)trans-151.9128.4177-152.8-12000113.7D281 V284 F286 F305 K306 Y308H277-D281 IonicContact CE1-OD2 3.7Å; H277-D281 PolarHBondContact CE1-OD2 2.96Å; H277-D281 IonicContact ND1-OD2 3.21Å; H277-V284 PolarHBondContact CE1-O 2.89Å; H277-F286 HydrophobicContact CB-CD2 3.9Å; H277-F286 HydrophobicContact CB-CE2 4.12Å; H277-F286 AromaticContact CG-CD2 3.8Å; H277-F286 VanDerWaalsContact NE2-CA 3.34Å; H277-F286 WeakPolarHBondContact NE2-CA 3.08Å; H277-F286 WeakPolarHBondContact O-CE2 3.37Å; H277-F305 HydrophobicContact CB-CE2 4.16Å; H277-F305 HydrophobicContact CB-CZ 4.25Å; H277-K306 PolarHBondContact N-O 2.87Å; H277-K306 VanDerWaalsContact N-O 3.17Å; H277-Y308 PolarHBondContact O-N 3.28Å
278A98.3Very high96.5Very high0 Ų034.5 Ų34.50%021%0.207CC..EExtended strand (participates in β ladder)trans-84.913617300000111.8D280 D281 Y308 R315 I319A278-D280 WeakPolarHBondContact CB-OD1 3.41Å; A278-D280 PolarHBondContact O-N 2.95Å; A278-D281 WeakPolarHBondContact O-CB 3.22Å; A278-D281 PolarHBondContact O-N 3.46Å; A278-Y308 WeakPolarHBondContact CA-O 3.43Å; A278-R315 WeakPolarHBondContact CB-O 3.33Å; A278-I319 HydrophobicContact CB-CD1 4.19Å; A278-I319 HydrophobicContact CB-CG1 4.27Å
279E98.3Very high97Very high101 Ų10128.8 Ų28.847%0.47218%0.176SC..THydrogen-bonded Turntrans-66.8-25.6179.1-66.3177.7153.700113.1D281 F286 Y308 E309 G310E279-D281 VanDerWaalsContact C-N 3.26Å; E279-D281 PolarHBondContact O-N 3.14Å; E279-F286 HydrophobicContact CB-CD2 4.4Å; E279-F286 HydrophobicContact CB-CG 4.4Å; E279-F286 HydrophobicContact CG-CD1 4.14Å; E279-F286 HydrophobicContact CG-CD2 3.92Å; E279-F286 HydrophobicContact CG-CE1 4.03Å; E279-F286 HydrophobicContact CG-CE2 3.79Å; E279-F286 HydrophobicContact CG-CG 4.08Å; E279-F286 HydrophobicContact CG-CZ 3.84Å; E279-Y308 WeakPolarHBondContact CG-O 3.36Å; E279-Y308 PolarHBondContact N-O 2.92Å; E279-E309 WeakPolarHBondContact OE2-CA 3.31Å; E279-G310 PolarHBondContact OE2-N 3.48Å
280D97.8Very high97.2Very high43 Ų4333.3 Ų33.323%0.2320%0.195CC..THydrogen-bonded Turntrans-88.316.9178.772.8-35.8000113.6A278 A282 G313 R315A278-D280 WeakPolarHBondContact CB-OD1 3.41Å; A278-D280 PolarHBondContact O-N 2.95Å; D280-A282 PolarHBondContact O-N 2.75Å; D280-A282 VanDerWaalsContact O-N 3.14Å; D280-G313 VanDerWaalsContact OD2-C 3.28Å; D280-G313 WeakPolarHBondContact OD2-CA 3.48Å; D280-R315 VanDerWaalsContact CG-N 3.33Å; D280-R315 WeakPolarHBondContact OD1-CA 3.22Å; D280-R315 PolarHBondContact OD1-N 3.48Å; D280-R315 WeakPolarHBondContact OD2-CG 3.21Å; D280-R315 PolarHBondContact OD2-N 3.46Å; D280-R315 VanDerWaalsContact OD2-N 3.16Å
281D97.8Very high97.4Very high10 Ų1033.4 Ų33.45%0.05319%0.187CC..  trans-70105.5173.8-169.2-20.4000112.1A221 H277 A278 E279 V283 V284 H316A221-D281 WeakPolarHBondContact CB-OD2 3.4Å; H277-D281 IonicContact CE1-OD2 3.7Å; H277-D281 PolarHBondContact CE1-OD2 2.96Å; H277-D281 IonicContact ND1-OD2 3.21Å; A278-D281 WeakPolarHBondContact O-CB 3.22Å; A278-D281 PolarHBondContact O-N 3.46Å; E279-D281 VanDerWaalsContact C-N 3.26Å; E279-D281 PolarHBondContact O-N 3.14Å; D281-V283 WeakPolarHBondContact OD1-CA 3.47Å; D281-V283 WeakPolarHBondContact OD1-CB 3.36Å; D281-V283 PolarHBondContact OD1-N 2.87Å; D281-V284 VanDerWaalsContact CB-O 3.29Å; D281-V284 WeakPolarHBondContact CB-O 3.3Å; D281-V284 PolarHBondContact OD1-N 3.37Å; D281-H316 VanDerWaalsContact CG-ND1 3.29Å; D281-H316 WeakPolarHBondContact OD1-CB 3.47Å; D281-H316 IonicContact OD1-CG 2.75Å; D281-H316 IonicContact OD1-ND1 3.13Å; D281-H316 PolarHBondContact OD1-ND1 3.07Å; D281-H316 VanDerWaalsContact OD1-ND1 3.15Å; D281-H316 IonicContact OD2-CE1 3.97Å; D281-H316 IonicContact OD2-CG 2.64Å; D281-H316 IonicContact OD2-ND1 2.69Å; D281-H316 PolarHBondContact OD2-ND1 3.48Å
282A95.1Very high97.6Very high102 Ų10232.6 Ų32.684%0.84318%0.183SC*.SBendtrans-84.2-417800000114.5D280D280-A282 PolarHBondContact O-N 2.75Å; D280-A282 VanDerWaalsContact O-N 3.14Å
283V94.8Very high97.6Very high63 Ų6331.9 Ų31.938%0.38218%0.179SC..SBendtrans-101.5-53.7-177.6-178.70000110.8D281 H316D281-V283 WeakPolarHBondContact OD1-CA 3.47Å; D281-V283 WeakPolarHBondContact OD1-CB 3.36Å; D281-V283 PolarHBondContact OD1-N 2.87Å; V283-H316 HydrophobicContact CB-CB 4.07Å; V283-H316 HydrophobicContact CG2-CB 3.85Å
284V96.9Very high97.6Very high3 Ų336.9 Ų36.92%0.01820%0.202CC..SBendtrans-114112.7174.51790000107.1P222 F223 H277 D281 F286P222-V284 WeakPolarHBondContact O-CG1 3.45Å; F223-V284 HydrophobicContact CB-CG1 3.97Å; F223-V284 HydrophobicContact CD1-CG2 4.45Å; H277-V284 PolarHBondContact CE1-O 2.89Å; D281-V284 VanDerWaalsContact CB-O 3.29Å; D281-V284 WeakPolarHBondContact CB-O 3.3Å; D281-V284 PolarHBondContact OD1-N 3.37Å; V284-F286 PolarHBondContact O-N 3.28Å
285P96.4Very high97.6Very high29 Ų2938.6 Ų38.619%0.18821%0.211CC..  trans-60.1130.5-177.4-16.321.5000111.9H232 T287 L288H232-P285 HydrophobicContact CB-CG 3.35Å; H232-P285 WeakPolarHBondContact ND1-CG 3.49Å; P285-T287 PolarHBondContact O-N 3.21Å; P285-L288 HydrophobicContact CB-CG 4.4Å; P285-L288 HydrophobicContact CG-CD1 4.22Å; P285-L288 HydrophobicContact CG-CG 4.41Å; P285-L288 WeakPolarHBondContact O-CB 3.17Å; P285-L288 PolarHBondContact O-N 3.5Å
286F97.8Very high97.6Very high35 Ų3538.6 Ų38.615%0.15421%0.211CC..Hα-helixtrans-45.1-38.6175.9177.9-101000114.3H277 E279 V284 L288 G289 K290 F305 P307H277-F286 HydrophobicContact CB-CD2 3.9Å; H277-F286 HydrophobicContact CB-CE2 4.12Å; H277-F286 AromaticContact CG-CD2 3.8Å; H277-F286 VanDerWaalsContact NE2-CA 3.34Å; H277-F286 WeakPolarHBondContact NE2-CA 3.08Å; H277-F286 WeakPolarHBondContact O-CE2 3.37Å; E279-F286 HydrophobicContact CB-CD2 4.4Å; E279-F286 HydrophobicContact CB-CG 4.4Å; E279-F286 HydrophobicContact CG-CD1 4.14Å; E279-F286 HydrophobicContact CG-CD2 3.92Å; E279-F286 HydrophobicContact CG-CE1 4.03Å; E279-F286 HydrophobicContact CG-CE2 3.79Å; E279-F286 HydrophobicContact CG-CG 4.08Å; E279-F286 HydrophobicContact CG-CZ 3.84Å; V284-F286 PolarHBondContact O-N 3.28Å; F286-L288 PolarHBondContact O-N 2.84Å; F286-L288 VanDerWaalsContact O-N 3.15Å; F286-G289 PolarHBondContact O-N 3.18Å; F286-K290 HydrophobicContact CE1-CD 4.46Å; F286-K290 PolarHBondContact O-N 3.31Å; F286-K290 VanDerWaalsContact O-N 3.1Å; F286-F305 HydrophobicContact CD2-CZ 4.36Å; F286-F305 HydrophobicContact CE1-CZ 4.49Å; F286-F305 AromaticContact CE2-CE1 3.96Å; F286-F305 HydrophobicContact CE2-CE1 3.96Å; F286-F305 AromaticContact CE2-CZ 3.58Å; F286-F305 HydrophobicContact CE2-CZ 3.58Å; F286-F305 AromaticContact CZ-CE1 3.67Å; F286-F305 HydrophobicContact CZ-CE1 3.67Å; F286-F305 AromaticContact CZ-CZ 3.66Å; F286-F305 HydrophobicContact CZ-CZ 3.66Å; F286-P307 HydrophobicContact CE2-CB 3.91Å; F286-P307 HydrophobicContact CZ-CB 3.77Å
287T97.4Very high97.4Very high79 Ų7942.1 Ų42.149%0.48524%0.236SC..Hα-helixtrans-58.5-27.4178.455.40000113.5P285 K291P285-T287 PolarHBondContact O-N 3.21Å; T287-K291 WeakPolarHBondContact O-CB 3.48Å; T287-K291 PolarHBondContact O-N 3.2Å
288L98Very high97.3Very high4 Ų447.7 Ų47.72%0.02127%0.27CS..Hα-helixtrans-74.8-42.5179.1-63.2-175.5000112.1F223 D228 V229 P285 F286 K291 L292F223-L288 HydrophobicContact CB-CB 4.41Å; F223-L288 HydrophobicContact CB-CD1 4.15Å; D228-L288 HydrophobicContact CB-CD1 4.08Å; D228-L288 HydrophobicContact CB-CD2 3.88Å; V229-L288 HydrophobicContact CG2-CD1 3.92Å; P285-L288 HydrophobicContact CB-CG 4.4Å; P285-L288 HydrophobicContact CG-CD1 4.22Å; P285-L288 HydrophobicContact CG-CG 4.41Å; P285-L288 WeakPolarHBondContact O-CB 3.17Å; P285-L288 PolarHBondContact O-N 3.5Å; F286-L288 PolarHBondContact O-N 2.84Å; F286-L288 VanDerWaalsContact O-N 3.15Å; L288-K291 PolarHBondContact O-N 2.96Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 2.72Å
289G98.2Very high97.2Very high0 Ų051.4 Ų51.40%029%0.29CS..Hα-helixtrans-69.9-36174.900000112.3F286 L292 A293F286-G289 PolarHBondContact O-N 3.18Å; G289-L292 WeakPolarHBondContact O-CB 3.47Å; G289-L292 PolarHBondContact O-N 3.17Å; G289-A293 PolarHBondContact O-N 3.16Å
290K97.9Very high96.9Very high101 Ų10150 Ų5044%0.43930%0.302SS..Hα-helixtrans-60.2-49.4171.3-173.3178.6179.3177.90111.5F286 L292 A293 E294 F305F286-K290 HydrophobicContact CE1-CD 4.46Å; F286-K290 PolarHBondContact O-N 3.31Å; F286-K290 VanDerWaalsContact O-N 3.1Å; K290-L292 VanDerWaalsContact C-N 3.29Å; K290-L292 PolarHBondContact O-N 2.62Å; K290-A293 WeakPolarHBondContact O-CB 3.45Å; K290-A293 PolarHBondContact O-N 2.66Å; K290-A293 VanDerWaalsContact O-N 3.17Å; K290-E294 VanDerWaalsContact CE-OE1 3.27Å; K290-E294 WeakPolarHBondContact CE-OE1 3.37Å; K290-E294 WeakPolarHBondContact O-CG 3.33Å; K290-E294 PolarHBondContact O-N 3.3Å; K290-F305 HydrophobicContact CB-CE1 4.24Å; K290-F305 HydrophobicContact CB-CE2 4.36Å; K290-F305 HydrophobicContact CB-CZ 3.86Å; K290-F305 HydrophobicContact CG-CE1 4.34Å; K290-F305 HydrophobicContact CG-CZ 4.45Å
291K98.2Very high96.7Very high89 Ų8948.3 Ų48.339%0.38729%0.294SS..Hα-helixtrans-59.2-38.9175.8-179.6-179.6173.9-1660112.1T224 D228 T287 L288 E294 I295T224-K291 HydrophobicContact CG2-CB 4.33Å; T224-K291 HydrophobicContact CG2-CD 4.06Å; T224-K291 HydrophobicContact CG2-CG 4.06Å; D228-K291 IonicContact OD2-NZ 3.22Å; T287-K291 WeakPolarHBondContact O-CB 3.48Å; T287-K291 PolarHBondContact O-N 3.2Å; L288-K291 PolarHBondContact O-N 2.96Å; K291-E294 PolarHBondContact O-N 3.38Å; K291-I295 HydrophobicContact CG-CD1 3.97Å; K291-I295 VanDerWaalsContact O-CG1 3.26Å; K291-I295 WeakPolarHBondContact O-CG1 3.42Å; K291-I295 PolarHBondContact O-N 2.78Å
292L98.4Very high96.5Very high0 Ų050.1 Ų50.10%031%0.307CS..Hα-helixtrans-62.1-47.6175.2179.464.6000111L219 P222 T224 T262 Q263 I275 L288 G289 K290 E294 I295 L296L219-L292 HydrophobicContact CD1-CD2 4.31Å; P222-L292 HydrophobicContact CB-CD2 3.75Å; P222-L292 HydrophobicContact CG-CD2 4.08Å; T224-L292 HydrophobicContact CG2-CB 4.22Å; T262-L292 HydrophobicContact CG2-CD1 4.39Å; T262-L292 HydrophobicContact CG2-CD2 3.84Å; Q263-L292 HydrophobicContact CB-CD1 3.83Å; I275-L292 HydrophobicContact CD1-CB 4.49Å; I275-L292 HydrophobicContact CD1-CD2 4.17Å; I275-L292 HydrophobicContact CD1-CG 4.17Å; L288-L292 WeakPolarHBondContact O-CB 3.47Å; L288-L292 PolarHBondContact O-N 2.72Å; G289-L292 WeakPolarHBondContact O-CB 3.47Å; G289-L292 PolarHBondContact O-N 3.17Å; K290-L292 VanDerWaalsContact C-N 3.29Å; K290-L292 PolarHBondContact O-N 2.62Å; L292-E294 VanDerWaalsContact C-N 3.32Å; L292-E294 PolarHBondContact O-N 2.92Å; L292-I295 PolarHBondContact O-N 2.99Å; L292-L296 HydrophobicContact CD1-CD1 4.09Å; L292-L296 HydrophobicContact CD1-CD2 4.45Å; L292-L296 HydrophobicContact CD1-CG 4.07Å; L292-L296 HydrophobicContact CG-CD1 3.97Å; L292-L296 HydrophobicContact CG-CG 4.31Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 2.9Å
293A97.8Very high96.6Very high10 Ų1046.5 Ų46.58%0.08327%0.274CS..Hα-helixtrans-57.3-45.2176.900000112.1I275 G289 K290 I295 L296 S297 V303 F305I275-A293 HydrophobicContact CD1-CB 3.82Å; G289-A293 PolarHBondContact O-N 3.16Å; K290-A293 WeakPolarHBondContact O-CB 3.45Å; K290-A293 PolarHBondContact O-N 2.66Å; K290-A293 VanDerWaalsContact O-N 3.17Å; A293-I295 PolarHBondContact O-N 3.04Å; A293-L296 PolarHBondContact O-N 3.02Å; A293-S297 VanDerWaalsContact O-CB 3.28Å; A293-S297 WeakPolarHBondContact O-CB 3.45Å; A293-S297 PolarHBondContact O-N 3.16Å; A293-V303 HydrophobicContact CB-CG2 4.49Å; A293-F305 HydrophobicContact CB-CB 3.86Å; A293-F305 HydrophobicContact CB-CD2 3.77Å; A293-F305 HydrophobicContact CB-CG 4.02Å
294E97.7Very high96.6Very high104 Ų10444.6 Ų44.649%0.48626%0.261SS..Hα-helixtrans-60.1-45.3176.8-70.1168-176.200112K290 K291 L292 T298K290-E294 VanDerWaalsContact CE-OE1 3.27Å; K290-E294 WeakPolarHBondContact CE-OE1 3.37Å; K290-E294 WeakPolarHBondContact O-CG 3.33Å; K290-E294 PolarHBondContact O-N 3.3Å; K291-E294 PolarHBondContact O-N 3.38Å; L292-E294 VanDerWaalsContact C-N 3.32Å; L292-E294 PolarHBondContact O-N 2.92Å; E294-T298 VanDerWaalsContact O-CB 3.29Å; E294-T298 WeakPolarHBondContact O-CB 3.17Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.25Å
295I97.6Very high96.6Very high36 Ų3646.6 Ų46.619%0.18527%0.269CS..Hα-helixtrans-61.6-48.1177.1-70.3165.5000110.7T224 Q263 K291 L292 A293 T298 N299T224-I295 HydrophobicContact CG2-CD1 4.28Å; Q263-I295 HydrophobicContact CB-CD1 4.3Å; Q263-I295 HydrophobicContact CB-CG2 4.43Å; K291-I295 HydrophobicContact CG-CD1 3.97Å; K291-I295 VanDerWaalsContact O-CG1 3.26Å; K291-I295 WeakPolarHBondContact O-CG1 3.42Å; K291-I295 PolarHBondContact O-N 2.78Å; L292-I295 PolarHBondContact O-N 2.99Å; A293-I295 PolarHBondContact O-N 3.04Å; I295-T298 PolarHBondContact O-N 3.33Å; I295-N299 PolarHBondContact O-N 3.3Å; I295-N299 PolarHBondContact O-ND2 3.47Å
296L97.4Very high96.7Very high0 Ų046.4 Ų46.40%027%0.266CS..Hα-helixtrans-64.6-47.1-177.5-68-178.9000111.5L266 I273 I275 L292 A293 T298 N299 G300 T301 V303L266-L296 HydrophobicContact CB-CD1 4.42Å; L266-L296 HydrophobicContact CB-CD2 3.65Å; L266-L296 WeakPolarHBondContact O-CD2 3.4Å; I273-L296 HydrophobicContact CD1-CD1 4.11Å; I275-L296 HydrophobicContact CD1-CD1 4.43Å; L292-L296 HydrophobicContact CD1-CD1 4.09Å; L292-L296 HydrophobicContact CD1-CD2 4.45Å; L292-L296 HydrophobicContact CD1-CG 4.07Å; L292-L296 HydrophobicContact CG-CD1 3.97Å; L292-L296 HydrophobicContact CG-CG 4.31Å; L292-L296 VanDerWaalsContact O-CG 3.28Å; L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 2.9Å; A293-L296 PolarHBondContact O-N 3.02Å; L296-T298 PolarHBondContact O-N 2.89Å; L296-N299 CarbonylContact O-C 3.54Å; L296-N299 PolarHBondContact O-N 3.42Å; L296-G300 PolarHBondContact O-N 3.36Å; L296-T301 HydrophobicContact CB-CG2 4.28Å; L296-T301 WeakPolarHBondContact O-CB 3.36Å; L296-T301 PolarHBondContact O-N 3.4Å; L296-V303 HydrophobicContact CB-CB 4.28Å; L296-V303 HydrophobicContact CB-CG1 3.91Å; L296-V303 HydrophobicContact CD1-CG2 4.37Å
297S95.4Very high96.7Very high75 Ų7547.5 Ų47.552%0.52428%0.276SS..Hα-helixtrans-60.4-45.4177.5179.40000111.7A293 N299 G300A293-S297 VanDerWaalsContact O-CB 3.28Å; A293-S297 WeakPolarHBondContact O-CB 3.45Å; A293-S297 PolarHBondContact O-N 3.16Å; S297-N299 PolarHBondContact O-N 3.5Å; S297-G300 PolarHBondContact O-N 2.95Å
298T96Very high96.7Very high118 Ų11844 Ų4472%0.72425%0.254SS*.Hα-helixtrans-63.3-26.7179-56.20000112.7E294 I295 L296E294-T298 VanDerWaalsContact O-CB 3.29Å; E294-T298 WeakPolarHBondContact O-CB 3.17Å; E294-T298 PolarHBondContact O-N 3.42Å; E294-T298 PolarHBondContact O-OG1 3.25Å; I295-T298 PolarHBondContact O-N 3.33Å; L296-T298 PolarHBondContact O-N 2.89Å
299N95.4Very high96.6Very high78 Ų7848.4 Ų48.442%0.41728%0.275SS..THydrogen-bonded Turntrans-95.212.4176.9-71.5-87.6000113.2I267 I295 L296 S297 T301I267-N299 HydrophobicContact CD1-CB 4.25Å; I267-N299 WeakPolarHBondContact CD1-OD1 3.46Å; I267-N299 HydrophobicContact CG1-CB 3.49Å; I267-N299 VanDerWaalsContact CG1-CB 3.49Å; I295-N299 PolarHBondContact O-N 3.3Å; I295-N299 PolarHBondContact O-ND2 3.47Å; L296-N299 CarbonylContact O-C 3.54Å; L296-N299 PolarHBondContact O-N 3.42Å; S297-N299 PolarHBondContact O-N 3.5Å; N299-T301 VanDerWaalsContact C-N 3.35Å; N299-T301 PolarHBondContact O-N 3.19Å
300G93.3Very high96.6Very high71 Ų7149.5 Ų49.573%0.73229%0.286SS*.THydrogen-bonded Turntrans818.6173.300000115.1L296 S297L296-G300 PolarHBondContact O-N 3.36Å; S297-G300 PolarHBondContact O-N 2.95Å
301T93.3Very high96.5Very high8 Ų852.3 Ų52.35%0.04930%0.298CS..  trans-73.6129.5170.9-64.70000109.1L266 I267 C269 I273 L296 N299 V303L266-T301 PolarHBondContact O-OG1 3.15Å; I267-T301 PolarHBondContact O-OG1 3.41Å; C269-T301 HydrophobicContact CB-CG2 4.08Å; I273-T301 HydrophobicContact CD1-CG2 3.9Å; I273-T301 HydrophobicContact CG1-CG2 4.39Å; L296-T301 HydrophobicContact CB-CG2 4.28Å; L296-T301 WeakPolarHBondContact O-CB 3.36Å; L296-T301 PolarHBondContact O-N 3.4Å; N299-T301 VanDerWaalsContact C-N 3.35Å; N299-T301 PolarHBondContact O-N 3.19Å; T301-V303 PolarHBondContact O-N 2.72Å
302S93.9Very high96.4Very high48 Ų4852 Ų5234%0.33630%0.301SS..  trans-68.1100.7175.7-177.60000110.1P272 I273 L341P272-S302 WeakPolarHBondContact CA-O 3.36Å; I273-S302 PolarHBondContact N-O 2.87Å; S302-L341 VanDerWaalsContact OG-CD1 3.29Å; S302-L341 WeakPolarHBondContact OG-CD1 3.33Å
303V96Very high96.4Very high25 Ų2553.7 Ų53.715%0.15232%0.318CS..EExtended strand (participates in β ladder)trans-130.5136.4-176.863.90000111.4I273 I275 A293 L296 T301I273-V303 HydrophobicContact CB-CB 4.43Å; I273-V303 HydrophobicContact CB-CG2 4.19Å; I273-V303 HydrophobicContact CG2-CG2 4.26Å; I273-V303 CarbonylContact O-C 3.55Å; I273-V303 VanDerWaalsContact O-CA 3.29Å; I273-V303 WeakPolarHBondContact O-CA 3.48Å; I275-V303 HydrophobicContact CD1-CG2 3.78Å; I275-V303 HydrophobicContact CG1-CG2 4.13Å; A293-V303 HydrophobicContact CB-CG2 4.49Å; L296-V303 HydrophobicContact CB-CB 4.28Å; L296-V303 HydrophobicContact CB-CG1 3.91Å; L296-V303 HydrophobicContact CD1-CG2 4.37Å; T301-V303 PolarHBondContact O-N 2.72Å
304F96.3Very high96.4Very high23 Ų2354.1 Ų54.110%0.10132%0.318CS..EExtended strand (participates in β ladder)trans-115137.6170.2-53.2-82.7000109.7I273 I274 I275 L341 L344 E345 I348I273-F304 PolarHBondContact O-N 3.38Å; I274-F304 CarbonylContact C-O 3.58Å; I274-F304 WeakPolarHBondContact CA-O 3.21Å; I274-F304 HydrophobicContact CG1-CB 4.4Å; I274-F304 HydrophobicContact CG1-CD2 4.36Å; I275-F304 PolarHBondContact N-O 3.47Å; F304-L341 HydrophobicContact CE2-CB 4.32Å; F304-L341 HydrophobicContact CE2-CD1 3.98Å; F304-L341 HydrophobicContact CZ-CB 3.85Å; F304-L341 HydrophobicContact CZ-CD1 3.99Å; F304-L341 HydrophobicContact CZ-CG 4.44Å; F304-L344 HydrophobicContact CD2-CD2 3.57Å; F304-L344 HydrophobicContact CD2-CG 4.47Å; F304-L344 HydrophobicContact CE2-CD2 3.59Å; F304-L344 HydrophobicContact CG-CD2 4.19Å; F304-L344 HydrophobicContact CZ-CD2 4.23Å; F304-E345 HydrophobicContact CD1-CG 4.12Å; F304-E345 HydrophobicContact CE1-CG 3.4Å; F304-E345 VanDerWaalsContact CE1-CG 3.4Å; F304-E345 HydrophobicContact CZ-CG 4.24Å; F304-I348 HydrophobicContact CB-CD1 3.24Å; F304-I348 HydrophobicContact CB-CG1 4.46Å; F304-I348 HydrophobicContact CB-CG2 4.17Å; F304-I348 HydrophobicContact CD1-CD1 4.35Å; F304-I348 HydrophobicContact CD2-CD1 4.44Å; F304-I348 HydrophobicContact CG-CD1 3.78Å
305F96.9Very high96.4Very high45 Ų4556.7 Ų56.720%0.19732%0.323CS..EExtended strand (participates in β ladder)trans-115.7110.5-179.4-176.9-102.5000109.6I275 H277 F286 K290 A293 P307 I348I275-F305 HydrophobicContact CB-CD2 3.78Å; I275-F305 HydrophobicContact CB-CE2 4.42Å; I275-F305 HydrophobicContact CG2-CD2 3.4Å; I275-F305 VanDerWaalsContact CG2-CD2 3.4Å; I275-F305 HydrophobicContact CG2-CE2 3.55Å; H277-F305 HydrophobicContact CB-CE2 4.16Å; H277-F305 HydrophobicContact CB-CZ 4.25Å; F286-F305 HydrophobicContact CD2-CZ 4.36Å; F286-F305 HydrophobicContact CE1-CZ 4.49Å; F286-F305 AromaticContact CE2-CE1 3.96Å; F286-F305 HydrophobicContact CE2-CE1 3.96Å; F286-F305 AromaticContact CE2-CZ 3.58Å; F286-F305 HydrophobicContact CE2-CZ 3.58Å; F286-F305 AromaticContact CZ-CE1 3.67Å; F286-F305 HydrophobicContact CZ-CE1 3.67Å; F286-F305 AromaticContact CZ-CZ 3.66Å; F286-F305 HydrophobicContact CZ-CZ 3.66Å; K290-F305 HydrophobicContact CB-CE1 4.24Å; K290-F305 HydrophobicContact CB-CE2 4.36Å; K290-F305 HydrophobicContact CB-CZ 3.86Å; K290-F305 HydrophobicContact CG-CE1 4.34Å; K290-F305 HydrophobicContact CG-CZ 4.45Å; A293-F305 HydrophobicContact CB-CB 3.86Å; A293-F305 HydrophobicContact CB-CD2 3.77Å; A293-F305 HydrophobicContact CB-CG 4.02Å; F305-P307 HydrophobicContact CD1-CB 4.4Å; F305-P307 HydrophobicContact CD1-CG 4.48Å; F305-P307 HydrophobicContact CE1-CB 3.87Å; F305-P307 HydrophobicContact CE1-CG 4.4Å; F305-P307 WeakPolarHBondContact O-CD 3.27Å; F305-I348 WeakPolarHBondContact O-CG2 3.36Å
306K97.5Very high96.4Very high25 Ų2555.7 Ų55.711%0.10932%0.317CS..EExtended strand (participates in β ladder)trans-96.499.8173.1-177.668.4174.9-167.40109.5I275 L276 H277 Y308 D324 I328 L347 I348I275-K306 PolarHBondContact O-N 3.43Å; L276-K306 HydrophobicContact CD2-CB 3.77Å; L276-K306 HydrophobicContact CD2-CG 4.24Å; H277-K306 PolarHBondContact N-O 2.87Å; H277-K306 VanDerWaalsContact N-O 3.17Å; K306-Y308 HydrophobicContact CG-CE1 4.32Å; K306-Y308 HydrophobicContact CG-CE2 3.92Å; K306-D324 WeakPolarHBondContact CE-OD2 3.35Å; K306-D324 IonicContact NZ-OD2 3.14Å; K306-D324 PolarHBondContact NZ-OD2 3.36Å; K306-I328 HydrophobicContact CD-CD1 4.03Å; K306-I328 HydrophobicContact CG-CD1 4.12Å; K306-L347 PolarHBondContact NZ-O 3.03Å; K306-I348 HydrophobicContact CB-CG2 4.11Å; K306-I348 HydrophobicContact CD-CG2 4.38Å; K306-I348 WeakPolarHBondContact CD-O 3.42Å
307P97.2Very high96.3Very high58 Ų5857.3 Ų57.338%0.37733%0.326SS..EExtended strand (participates in β ladder)trans-74.9142.5169.632.6-34.4000110.1F286 F305F286-P307 HydrophobicContact CE2-CB 3.91Å; F286-P307 HydrophobicContact CZ-CB 3.77Å; F305-P307 HydrophobicContact CD1-CB 4.4Å; F305-P307 HydrophobicContact CD1-CG 4.48Å; F305-P307 HydrophobicContact CE1-CB 3.87Å; F305-P307 HydrophobicContact CE1-CG 4.4Å; F305-P307 WeakPolarHBondContact O-CD 3.27Å
308Y97.5Very high96.4Very high5 Ų557.5 Ų57.52%0.0232%0.318CS..EExtended strand (participates in β ladder)trans-112.8124.3165.6-66.3-80.3000110.1L276 H277 A278 E279 K306 G310 Y314 I319 A322L276-Y308 HydrophobicContact CB-CE2 4.27Å; L276-Y308 HydrophobicContact CD2-CE2 4.28Å; H277-Y308 PolarHBondContact O-N 3.28Å; A278-Y308 WeakPolarHBondContact CA-O 3.43Å; E279-Y308 WeakPolarHBondContact CG-O 3.36Å; E279-Y308 PolarHBondContact N-O 2.92Å; K306-Y308 HydrophobicContact CG-CE1 4.32Å; K306-Y308 HydrophobicContact CG-CE2 3.92Å; Y308-G310 PolarHBondContact O-N 3.49Å; Y308-Y314 AromaticContact CD1-CD2 3.97Å; Y308-Y314 HydrophobicContact CD1-CD2 3.97Å; Y308-Y314 AromaticContact CD1-CE2 3.47Å; Y308-Y314 HydrophobicContact CD1-CE2 3.47Å; Y308-Y314 VanDerWaalsContact CD1-CE2 3.47Å; Y308-Y314 HydrophobicContact CE1-CE2 4.19Å; Y308-Y314 AromaticContact CG-CD2 3.79Å; Y308-Y314 HydrophobicContact CG-CD2 3.79Å; Y308-Y314 AromaticContact CG-CE2 3.8Å; Y308-Y314 HydrophobicContact CG-CE2 3.8Å; Y308-I319 HydrophobicContact CD2-CD1 4Å; Y308-I319 HydrophobicContact CD2-CG1 3.98Å; Y308-I319 HydrophobicContact CD2-CG2 4.19Å; Y308-I319 HydrophobicContact CE2-CD1 4.3Å; Y308-I319 HydrophobicContact CE2-CG1 4.23Å; Y308-I319 HydrophobicContact CE2-CG2 3.57Å; Y308-A322 HydrophobicContact CD1-CB 4.31Å; Y308-A322 HydrophobicContact CE1-CB 3.63Å
309E97.1Very high96.5Very high97 Ų9752 Ų5245%0.45328%0.284SS..  trans-56.5136.1-178.6-65.6-170.2-116.100111.9E279 K311 L312E279-E309 WeakPolarHBondContact OE2-CA 3.31Å; E309-K311 HydrophobicContact CB-CG 4.14Å; E309-K311 PolarHBondContact O-N 2.94Å; E309-K311 IonicContact OE1-NZ 3.17Å; E309-K311 PolarHBondContact OE1-NZ 3.47Å; E309-K311 WeakPolarHBondContact OE2-CD 3.39Å; E309-K311 WeakPolarHBondContact OE2-CE 3.46Å; E309-K311 IonicContact OE2-NZ 2.71Å; E309-K311 PolarHBondContact OE2-NZ 3.21Å; E309-L312 HydrophobicContact CB-CD1 4.27Å; E309-L312 HydrophobicContact CB-CG 4.31Å; E309-L312 WeakPolarHBondContact O-CB 3.44Å; E309-L312 WeakPolarHBondContact O-CG 3.17Å; E309-L312 PolarHBondContact O-N 3.49Å
310G96.8Very high96.6Very high23 Ų2349.5 Ų49.524%0.23727%0.269CS..G310 helixtrans-62-23.6-174.700000114.2E279 Y308 L312 G313E279-G310 PolarHBondContact OE2-N 3.48Å; Y308-G310 PolarHBondContact O-N 3.49Å; G310-L312 PolarHBondContact O-N 2.85Å; G310-G313 PolarHBondContact O-N 3.36Å
311K97.1Very high96.7Very high160 Ų16049.9 Ų49.970%0.69626%0.258SS*.G310 helixtrans-64.9-18.8176.274.7-169.1-173.7-154.10113.5E309 G313E309-K311 HydrophobicContact CB-CG 4.14Å; E309-K311 PolarHBondContact O-N 2.94Å; E309-K311 IonicContact OE1-NZ 3.17Å; E309-K311 PolarHBondContact OE1-NZ 3.47Å; E309-K311 WeakPolarHBondContact OE2-CD 3.39Å; E309-K311 WeakPolarHBondContact OE2-CE 3.46Å; E309-K311 IonicContact OE2-NZ 2.71Å; E309-K311 PolarHBondContact OE2-NZ 3.21Å; K311-G313 VanDerWaalsContact C-N 3.33Å
312L96.7Very high96.9Very high84 Ų8449.7 Ų49.744%0.4426%0.257SS..G310 helixtrans-78-17.5179.8-59.6173.8000112.7E309 G310 Y314E309-L312 HydrophobicContact CB-CD1 4.27Å; E309-L312 HydrophobicContact CB-CG 4.31Å; E309-L312 WeakPolarHBondContact O-CB 3.44Å; E309-L312 WeakPolarHBondContact O-CG 3.17Å; E309-L312 PolarHBondContact O-N 3.49Å; G310-L312 PolarHBondContact O-N 2.85Å; L312-Y314 HydrophobicContact CB-CD2 3.94Å; L312-Y314 HydrophobicContact CB-CE1 4.4Å; L312-Y314 HydrophobicContact CB-CE2 3.58Å; L312-Y314 HydrophobicContact CB-CG 4.49Å; L312-Y314 HydrophobicContact CD1-CD2 4.43Å; L312-Y314 HydrophobicContact CD1-CE2 3.57Å; L312-Y314 HydrophobicContact CG-CE2 4.2Å
313G97.1Very high97.1Very high35 Ų3552.5 Ų52.536%0.36127%0.274SS..  trans77.419.5169.300000115.6D280 G310 K311 R315D280-G313 VanDerWaalsContact OD2-C 3.28Å; D280-G313 WeakPolarHBondContact OD2-CA 3.48Å; G310-G313 PolarHBondContact O-N 3.36Å; K311-G313 VanDerWaalsContact C-N 3.33Å; G313-R315 VanDerWaalsContact C-N 3.33Å; G313-R315 PolarHBondContact O-N 3.37Å
314Y97.7Very high97.1Very high19 Ų1953.6 Ų53.68%0.07528%0.279CS..  trans-70.8-26.7-177.6-60-45.5000113.5Y308 L312 F318 I319 T321 A322Y308-Y314 AromaticContact CD1-CD2 3.97Å; Y308-Y314 HydrophobicContact CD1-CD2 3.97Å; Y308-Y314 AromaticContact CD1-CE2 3.47Å; Y308-Y314 HydrophobicContact CD1-CE2 3.47Å; Y308-Y314 VanDerWaalsContact CD1-CE2 3.47Å; Y308-Y314 HydrophobicContact CE1-CE2 4.19Å; Y308-Y314 AromaticContact CG-CD2 3.79Å; Y308-Y314 HydrophobicContact CG-CD2 3.79Å; Y308-Y314 AromaticContact CG-CE2 3.8Å; Y308-Y314 HydrophobicContact CG-CE2 3.8Å; L312-Y314 HydrophobicContact CB-CD2 3.94Å; L312-Y314 HydrophobicContact CB-CE1 4.4Å; L312-Y314 HydrophobicContact CB-CE2 3.58Å; L312-Y314 HydrophobicContact CB-CG 4.49Å; L312-Y314 HydrophobicContact CD1-CD2 4.43Å; L312-Y314 HydrophobicContact CD1-CE2 3.57Å; L312-Y314 HydrophobicContact CG-CE2 4.2Å; Y314-F318 WeakPolarHBondContact CD1-O 3.26Å; Y314-F318 WeakPolarHBondContact O-CA 3.39Å; Y314-F318 WeakPolarHBondContact O-CB 3.29Å; Y314-F318 WeakPolarHBondContact O-CD2 3.35Å; Y314-F318 PolarHBondContact O-N 3.32Å; Y314-I319 HydrophobicContact CD2-CG1 4.49Å; Y314-I319 HydrophobicContact CG-CG1 4.43Å; Y314-T321 WeakPolarHBondContact CD1-OG1 3.26Å; Y314-T321 WeakPolarHBondContact CE1-OG1 3.49Å; Y314-A322 HydrophobicContact CE1-CB 4.04Å; Y314-A322 HydrophobicContact CE2-CB 3.89Å; Y314-A322 WeakPolarHBondContact OH-CA 3.4Å; Y314-A322 WeakPolarHBondContact OH-CB 3.48Å
315R97.5Very high97.1Very high158 Ų15852.5 Ų52.560%0.59627%0.274SS*.THydrogen-bonded Turntrans52-150.3178.2-55172.1176.5172.3-0.6110.8A278 D280 G313 N317 F318A278-R315 WeakPolarHBondContact CB-O 3.33Å; D280-R315 VanDerWaalsContact CG-N 3.33Å; D280-R315 WeakPolarHBondContact OD1-CA 3.22Å; D280-R315 PolarHBondContact OD1-N 3.48Å; D280-R315 WeakPolarHBondContact OD2-CG 3.21Å; D280-R315 PolarHBondContact OD2-N 3.46Å; D280-R315 VanDerWaalsContact OD2-N 3.16Å; G313-R315 VanDerWaalsContact C-N 3.33Å; G313-R315 PolarHBondContact O-N 3.37Å; R315-N317 PolarHBondContact O-N 3.12Å; R315-F318 HydrophobicContact CB-CD2 4.48Å
316H97.5Very high97.2Very high15 Ų1552.2 Ų52.27%0.06928%0.277CS..THydrogen-bonded Turntrans-75.4-17.2-178.3-166.456.3000115.4H187 S188 D281 V283H187-H316 AromaticContact CE1-NE2 3.95Å; H187-H316 PolarHBondContact CE1-O 3.26Å; H187-H316 PolarHBondContact NE2-O 2.92Å; S188-H316 VanDerWaalsContact CB-NE2 3.27Å; S188-H316 WeakPolarHBondContact CB-NE2 3.48Å; S188-H316 PolarHBondContact OG-CE1 2.91Å; S188-H316 VanDerWaalsContact OG-CE1 3.24Å; S188-H316 PolarHBondContact OG-NE2 3.26Å; D281-H316 VanDerWaalsContact CG-ND1 3.29Å; D281-H316 WeakPolarHBondContact OD1-CB 3.47Å; D281-H316 IonicContact OD1-CG 2.75Å; D281-H316 IonicContact OD1-ND1 3.13Å; D281-H316 PolarHBondContact OD1-ND1 3.07Å; D281-H316 VanDerWaalsContact OD1-ND1 3.15Å; D281-H316 IonicContact OD2-CE1 3.97Å; D281-H316 IonicContact OD2-CG 2.64Å; D281-H316 IonicContact OD2-ND1 2.69Å; D281-H316 PolarHBondContact OD2-ND1 3.48Å; V283-H316 HydrophobicContact CB-CB 4.07Å; V283-H316 HydrophobicContact CG2-CB 3.85Å
317N97.1Very high97.1Very high34 Ų3456 Ų5618%0.18230%0.298CS..THydrogen-bonded Turntrans-131.6-8.5-163.5-60.7-63.7000115.1W126 R315 H320W126-N317 HydrophobicContact CB-CB 4.27Å; W126-N317 HydrophobicContact CD2-CB 4.12Å; W126-N317 HydrophobicContact CG-CB 3.85Å; W126-N317 PolarHBondContact NE1-OD1 2.96Å; R315-N317 PolarHBondContact O-N 3.12Å; N317-H320 PolarHBondContact O-CE1 3.13Å; N317-H320 VanDerWaalsContact O-CE1 3.28Å; N317-H320 PolarHBondContact O-ND1 3.11Å
318F97.7Very high97.1Very high79 Ų7953.3 Ų53.335%0.34628%0.281SS..  trans-114.616.3-166.4-50.9-75.1000114.3W126 Y314 R315 H320 T321W126-F318 HydrophobicContact CB-CE1 4.38Å; Y314-F318 WeakPolarHBondContact CD1-O 3.26Å; Y314-F318 WeakPolarHBondContact O-CA 3.39Å; Y314-F318 WeakPolarHBondContact O-CB 3.29Å; Y314-F318 WeakPolarHBondContact O-CD2 3.35Å; Y314-F318 PolarHBondContact O-N 3.32Å; R315-F318 HydrophobicContact CB-CD2 4.48Å; F318-H320 AromaticContact CD1-CE1 3.75Å; F318-H320 PolarHBondContact O-N 3.37Å; F318-H320 VanDerWaalsContact O-N 3.16Å; F318-T321 HydrophobicContact CB-CG2 4.41Å; F318-T321 WeakPolarHBondContact O-CB 3.38Å; F318-T321 PolarHBondContact O-N 3.1Å; F318-T321 PolarHBondContact O-OG1 2.95Å
319I97.6Very high97.1Very high2 Ų253.1 Ų53.11%0.0128%0.28CS..G310 helixtrans-57.2-29172.3-75170000111.5D220 L276 A278 Y308 Y314 T321 A322 L325D220-I319 WeakPolarHBondContact OD1-CD1 3.47Å; L276-I319 HydrophobicContact CB-CD1 4.33Å; L276-I319 HydrophobicContact CB-CG2 4.35Å; L276-I319 HydrophobicContact CD1-CG2 4.17Å; A278-I319 HydrophobicContact CB-CD1 4.19Å; A278-I319 HydrophobicContact CB-CG1 4.27Å; Y308-I319 HydrophobicContact CD2-CD1 4Å; Y308-I319 HydrophobicContact CD2-CG1 3.98Å; Y308-I319 HydrophobicContact CD2-CG2 4.19Å; Y308-I319 HydrophobicContact CE2-CD1 4.3Å; Y308-I319 HydrophobicContact CE2-CG1 4.23Å; Y308-I319 HydrophobicContact CE2-CG2 3.57Å; Y314-I319 HydrophobicContact CD2-CG1 4.49Å; Y314-I319 HydrophobicContact CG-CG1 4.43Å; I319-T321 PolarHBondContact O-N 3.28Å; I319-A322 WeakPolarHBondContact O-CB 3.31Å; I319-A322 PolarHBondContact O-N 3.13Å; I319-L325 HydrophobicContact CG2-CD2 4.19Å; I319-L325 WeakPolarHBondContact O-CD2 3.47Å
320H96Very high97.1Very high25 Ų2550.1 Ų50.112%0.11627%0.268CS..G310 helixtrans-58-12.7173.270.7-93.9000115.3N129 I130 N317 F318N129-H320 WeakPolarHBondContact CB-CD2 3.35Å; N129-H320 WeakPolarHBondContact CB-NE2 3.46Å; N129-H320 PolarHBondContact ND2-NE2 2.81Å; I130-H320 HydrophobicContact CG1-CB 3.59Å; N317-H320 PolarHBondContact O-CE1 3.13Å; N317-H320 VanDerWaalsContact O-CE1 3.28Å; N317-H320 PolarHBondContact O-ND1 3.11Å; F318-H320 AromaticContact CD1-CE1 3.75Å; F318-H320 PolarHBondContact O-N 3.37Å; F318-H320 VanDerWaalsContact O-N 3.16Å
321T97.3Very high97Very high80 Ų8049.6 Ų49.649%0.49126%0.261SS..G310 helixtrans-93.4-3.317666.70000113.2Y314 F318 I319Y314-T321 WeakPolarHBondContact CD1-OG1 3.26Å; Y314-T321 WeakPolarHBondContact CE1-OG1 3.49Å; F318-T321 HydrophobicContact CB-CG2 4.41Å; F318-T321 WeakPolarHBondContact O-CB 3.38Å; F318-T321 PolarHBondContact O-N 3.1Å; F318-T321 PolarHBondContact O-OG1 2.95Å; I319-T321 PolarHBondContact O-N 3.28Å
322A97.5Very high97Very high3 Ų342 Ų423%0.02523%0.228CC..  trans-67.8128.2178.500000110.6Y308 Y314 I319 D324 L325Y308-A322 HydrophobicContact CD1-CB 4.31Å; Y308-A322 HydrophobicContact CE1-CB 3.63Å; Y314-A322 HydrophobicContact CE1-CB 4.04Å; Y314-A322 HydrophobicContact CE2-CB 3.89Å; Y314-A322 WeakPolarHBondContact OH-CA 3.4Å; Y314-A322 WeakPolarHBondContact OH-CB 3.48Å; I319-A322 WeakPolarHBondContact O-CB 3.31Å; I319-A322 PolarHBondContact O-N 3.13Å; A322-D324 VanDerWaalsContact C-N 3.27Å; A322-D324 WeakPolarHBondContact CB-OD1 3.38Å; A322-D324 PolarHBondContact O-N 2.92Å; A322-L325 HydrophobicContact CB-CB 4.16Å; A322-L325 WeakPolarHBondContact O-CB 3.45Å; A322-L325 PolarHBondContact O-N 3.3Å
323P96.7Very high97.1Very high107 Ų10738.1 Ų38.170%0.69521%0.208SC*.THydrogen-bonded Turntrans-69-24.1-172.527-34.8000113.6P326P323-P326 WeakPolarHBondContact O-CD 3.42Å
324D96.2Very high97Very high48 Ų4842.3 Ų42.326%0.25722%0.218SC..THydrogen-bonded Turntrans-86-14.8178.159.8-32.2000113.4K306 A322 D327 I328K306-D324 WeakPolarHBondContact CE-OD2 3.35Å; K306-D324 IonicContact NZ-OD2 3.14Å; K306-D324 PolarHBondContact NZ-OD2 3.36Å; A322-D324 VanDerWaalsContact C-N 3.27Å; A322-D324 WeakPolarHBondContact CB-OD1 3.38Å; A322-D324 PolarHBondContact O-N 2.92Å; D324-D327 PolarHBondContact O-N 3.49Å; D324-I328 HydrophobicContact CB-CD1 4.37Å; D324-I328 WeakPolarHBondContact O-CG1 3.5Å; D324-I328 PolarHBondContact O-N 3.03Å; D324-I328 VanDerWaalsContact O-N 3.08Å
325L97.3Very high96.9Very high1 Ų141.6 Ų41.61%0.00522%0.216CC..Hα-helixtrans-60-42.2-176.6-17766.5000114.3L133 W185 L276 I319 A322 D327 I328 I329L133-L325 HydrophobicContact CD2-CD2 3.57Å; L133-L325 HydrophobicContact CD2-CG 4.09Å; W185-L325 HydrophobicContact CH2-CD1 4.28Å; W185-L325 HydrophobicContact CH2-CD2 4.32Å; L276-L325 HydrophobicContact CD1-CD1 3.62Å; L276-L325 HydrophobicContact CD2-CD1 4.45Å; I319-L325 HydrophobicContact CG2-CD2 4.19Å; I319-L325 WeakPolarHBondContact O-CD2 3.47Å; A322-L325 HydrophobicContact CB-CB 4.16Å; A322-L325 WeakPolarHBondContact O-CB 3.45Å; A322-L325 PolarHBondContact O-N 3.3Å; L325-D327 VanDerWaalsContact C-N 3.32Å; L325-D327 PolarHBondContact O-N 2.9Å; L325-I328 PolarHBondContact O-N 2.93Å; L325-I329 HydrophobicContact CD1-CD1 4.05Å; L325-I329 HydrophobicContact CD1-CG1 4.08Å; L325-I329 HydrophobicContact CD2-CD1 4.31Å; L325-I329 HydrophobicContact CG-CD1 3.75Å; L325-I329 HydrophobicContact CG-CG1 4.24Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.46Å; L325-I329 PolarHBondContact O-N 3.37Å
326P97.3Very high96.7Very high39 Ų3935 Ų3525%0.25319%0.193SC..Hα-helixtrans-52-48.6174.6-26.534.7000112.8L133 L137 P323 I329 T330L133-P326 HydrophobicContact CD1-CB 4.35Å; L133-P326 HydrophobicContact CD1-CG 3.89Å; L137-P326 HydrophobicContact CD2-CB 4.14Å; P323-P326 WeakPolarHBondContact O-CD 3.42Å; P326-I329 PolarHBondContact O-N 3.48Å; P326-T330 PolarHBondContact O-N 3.45Å; P326-T330 PolarHBondContact O-OG1 3.34Å
327D96.2Very high96.6Very high103 Ų10338.4 Ų38.455%0.55121%0.211SC*.Hα-helixtrans-67.4-40.4-178.1-65.3-26.2000111.6D324 L325 I329 T330 S331D324-D327 PolarHBondContact O-N 3.49Å; L325-D327 VanDerWaalsContact C-N 3.32Å; L325-D327 PolarHBondContact O-N 2.9Å; D327-I329 PolarHBondContact O-N 3.08Å; D327-T330 PolarHBondContact O-N 3.4Å; D327-S331 VanDerWaalsContact O-CB 3.28Å; D327-S331 WeakPolarHBondContact O-CB 3.4Å; D327-S331 PolarHBondContact O-N 3.29Å
328I96.8Very high96.4Very high3 Ų341 Ų412%0.01523%0.232CC..Hα-helixtrans-59.6-45.7174.5-68.5169.2000110.8I274 K306 D324 L325 F332 L347I274-I328 HydrophobicContact CD1-CG2 4.14Å; K306-I328 HydrophobicContact CD-CD1 4.03Å; K306-I328 HydrophobicContact CG-CD1 4.12Å; D324-I328 HydrophobicContact CB-CD1 4.37Å; D324-I328 WeakPolarHBondContact O-CG1 3.5Å; D324-I328 PolarHBondContact O-N 3.03Å; D324-I328 VanDerWaalsContact O-N 3.08Å; L325-I328 PolarHBondContact O-N 2.93Å; I328-F332 VanDerWaalsContact O-CB 3.28Å; I328-F332 WeakPolarHBondContact O-CB 3.46Å; I328-F332 PolarHBondContact O-N 2.54Å; I328-L347 HydrophobicContact CG1-CB 4.37Å
329I97.6Very high96.1Very high0 Ų040.5 Ų40.50%025%0.249CC..Hα-helixtrans-64.9-48.7179.5-65.1165000110.4F112 L133 L134 L137 Y139 W185 I218 L325 P326 D327 S331 F332 V333F112-I329 HydrophobicContact CZ-CG2 4.11Å; L133-I329 HydrophobicContact CD2-CD1 3.88Å; L133-I329 HydrophobicContact CG-CD1 4.29Å; L134-I329 HydrophobicContact CD2-CD1 4.13Å; L134-I329 HydrophobicContact CD2-CG2 4Å; L137-I329 HydrophobicContact CD1-CB 3.87Å; L137-I329 HydrophobicContact CD1-CD1 4.18Å; L137-I329 HydrophobicContact CD1-CG2 3.71Å; Y139-I329 HydrophobicContact CE2-CG2 4.04Å; W185-I329 HydrophobicContact CH2-CD1 3.95Å; W185-I329 HydrophobicContact CH2-CG1 4.4Å; W185-I329 HydrophobicContact CZ3-CD1 3.63Å; W185-I329 HydrophobicContact CZ3-CG1 3.93Å; I218-I329 HydrophobicContact CD1-CG1 4.25Å; L325-I329 HydrophobicContact CD1-CD1 4.05Å; L325-I329 HydrophobicContact CD1-CG1 4.08Å; L325-I329 HydrophobicContact CD2-CD1 4.31Å; L325-I329 HydrophobicContact CG-CD1 3.75Å; L325-I329 HydrophobicContact CG-CG1 4.24Å; L325-I329 VanDerWaalsContact O-CG1 3.27Å; L325-I329 WeakPolarHBondContact O-CG1 3.46Å; L325-I329 PolarHBondContact O-N 3.37Å; P326-I329 PolarHBondContact O-N 3.48Å; D327-I329 PolarHBondContact O-N 3.08Å; I329-S331 PolarHBondContact O-N 2.9Å; I329-F332 WeakPolarHBondContact O-CB 3.36Å; I329-F332 PolarHBondContact O-N 3.36Å; I329-V333 WeakPolarHBondContact O-CG2 3.33Å; I329-V333 PolarHBondContact O-N 3.3Å
330T96.7Very high95.7Very high35 Ų3543 Ų4322%0.21527%0.267CS..Hα-helixtrans-61.8-45.3-179.5-66.40000111.3P326 D327 F332 V333 Q334P326-T330 PolarHBondContact O-N 3.45Å; P326-T330 PolarHBondContact O-OG1 3.34Å; D327-T330 PolarHBondContact O-N 3.4Å; T330-F332 VanDerWaalsContact C-N 3.34Å; T330-F332 PolarHBondContact O-N 3.34Å; T330-V333 PolarHBondContact O-N 2.86Å; T330-Q334 HydrophobicContact CG2-CG 4.48Å; T330-Q334 WeakPolarHBondContact O-CB 3.34Å; T330-Q334 VanDerWaalsContact O-CG 3.31Å; T330-Q334 WeakPolarHBondContact O-CG 3.32Å; T330-Q334 PolarHBondContact O-N 3.39Å
331S96.2Very high95.2Very high11 Ų1143.3 Ų43.38%0.07727%0.269CS..Hα-helixtrans-62.7-41.4175.7-171.40000111.4D327 I329 V333 Q334 S335D327-S331 VanDerWaalsContact O-CB 3.28Å; D327-S331 WeakPolarHBondContact O-CB 3.4Å; D327-S331 PolarHBondContact O-N 3.29Å; I329-S331 PolarHBondContact O-N 2.9Å; S331-V333 PolarHBondContact O-N 3.2Å; S331-Q334 PolarHBondContact O-N 2.93Å; S331-S335 WeakPolarHBondContact O-CB 3.16Å; S331-S335 PolarHBondContact O-N 3.27Å; S331-S335 PolarHBondContact O-OG 3.3Å; S331-S335 VanDerWaalsContact O-OG 3.13Å
332F97Very high94.4Very high0 Ų044.8 Ų44.80%027%0.274CS..Hα-helixtrans-60-47177.4-179.3-124.9000112.2F183 G216 I218 P272 I274 I328 I329 T330 T336 L344F183-F332 HydrophobicContact CD1-CE1 4.21Å; F183-F332 HydrophobicContact CE1-CE1 4.44Å; G216-F332 VanDerWaalsContact CA-CZ 3.49Å; I218-F332 HydrophobicContact CD1-CD1 4Å; I218-F332 HydrophobicContact CD1-CE1 4.33Å; I218-F332 HydrophobicContact CG1-CD1 3.9Å; I218-F332 HydrophobicContact CG1-CE1 3.75Å; P272-F332 HydrophobicContact CB-CE2 4.09Å; P272-F332 WeakPolarHBondContact O-CZ 3.37Å; I274-F332 HydrophobicContact CD1-CB 3.52Å; I274-F332 HydrophobicContact CD1-CD1 4.01Å; I274-F332 HydrophobicContact CD1-CD2 3.34Å; I274-F332 HydrophobicContact CD1-CE2 3.95Å; I274-F332 HydrophobicContact CD1-CG 3.35Å; I274-F332 HydrophobicContact CD1-CZ 4.49Å; I274-F332 HydrophobicContact CG1-CD2 3.68Å; I274-F332 HydrophobicContact CG1-CE2 3.76Å; I274-F332 HydrophobicContact CG1-CG 4.1Å; I274-F332 HydrophobicContact CG1-CZ 4.25Å; I328-F332 VanDerWaalsContact O-CB 3.28Å; I328-F332 WeakPolarHBondContact O-CB 3.46Å; I328-F332 PolarHBondContact O-N 2.54Å; I329-F332 WeakPolarHBondContact O-CB 3.36Å; I329-F332 PolarHBondContact O-N 3.36Å; T330-F332 VanDerWaalsContact C-N 3.34Å; T330-F332 PolarHBondContact O-N 3.34Å; F332-T336 HydrophobicContact CD2-CG2 3.85Å; F332-T336 HydrophobicContact CE2-CG2 3.59Å; F332-T336 HydrophobicContact CZ-CG2 4.03Å; F332-T336 WeakPolarHBondContact O-CB 3.45Å; F332-T336 VanDerWaalsContact O-CG2 3.26Å; F332-T336 WeakPolarHBondContact O-CG2 3.41Å; F332-T336 PolarHBondContact O-N 3.09Å; F332-T336 PolarHBondContact O-OG1 3.46Å; F332-L344 HydrophobicContact CB-CD1 4.08Å; F332-L344 HydrophobicContact CB-CD2 4.47Å; F332-L344 HydrophobicContact CD2-CD2 3.62Å; F332-L344 HydrophobicContact CE2-CD2 4.37Å
333V97.2Very high93.5Very high4 Ų447.3 Ų47.32%0.02430%0.295CS..Hα-helixtrans-61.9-48.2177.4172.30000110.2P110 F112 Y139 F183 I329 T330 S331 S335 T336 L337P110-V333 HydrophobicContact CB-CG1 4.45Å; P110-V333 HydrophobicContact CG-CG1 4.11Å; F112-V333 HydrophobicContact CE2-CG2 3.9Å; F112-V333 HydrophobicContact CZ-CG2 3.77Å; Y139-V333 HydrophobicContact CE1-CG1 4.12Å; Y139-V333 HydrophobicContact CE2-CG2 4.24Å; F183-V333 HydrophobicContact CD1-CG2 4.37Å; F183-V333 HydrophobicContact CE1-CB 4.5Å; F183-V333 HydrophobicContact CE1-CG2 4.06Å; F183-V333 HydrophobicContact CE2-CG1 4.03Å; F183-V333 HydrophobicContact CE2-CG2 4.28Å; F183-V333 HydrophobicContact CZ-CB 4.16Å; F183-V333 HydrophobicContact CZ-CG1 3.87Å; F183-V333 HydrophobicContact CZ-CG2 4.01Å; I329-V333 WeakPolarHBondContact O-CG2 3.33Å; I329-V333 PolarHBondContact O-N 3.3Å; T330-V333 PolarHBondContact O-N 2.86Å; S331-V333 PolarHBondContact O-N 3.2Å; V333-S335 PolarHBondContact O-N 3.32Å; V333-T336 PolarHBondContact O-N 2.95Å; V333-T336 PolarHBondContact O-OG1 3.05Å; V333-L337 HydrophobicContact CG1-CD1 3.84Å; V333-L337 HydrophobicContact CG1-CG 4.45Å; V333-L337 WeakPolarHBondContact O-CB 3.38Å; V333-L337 WeakPolarHBondContact O-CG 3.44Å; V333-L337 PolarHBondContact O-N 2.71Å
334Q96.1Very high92.8Very high123 Ų12342.2 Ų42.258%0.57526%0.262SS*.Hα-helixtrans-64-43.4179.9-70.9173.7-7.300112.8T330 S331 L337 S338T330-Q334 HydrophobicContact CG2-CG 4.48Å; T330-Q334 WeakPolarHBondContact O-CB 3.34Å; T330-Q334 VanDerWaalsContact O-CG 3.31Å; T330-Q334 WeakPolarHBondContact O-CG 3.32Å; T330-Q334 PolarHBondContact O-N 3.39Å; S331-Q334 PolarHBondContact O-N 2.93Å; Q334-L337 PolarHBondContact O-N 2.87Å; Q334-S338 WeakPolarHBondContact O-CB 3.14Å; Q334-S338 PolarHBondContact O-N 2.89Å; Q334-S338 PolarHBondContact O-OG 2.85Å
335S94.7Very high92.1Very high4 Ų444.2 Ų44.23%0.02827%0.27CS..Hα-helixtrans-64-44.1178.5-780000112.6S331 V333 S338 G339 S340S331-S335 WeakPolarHBondContact O-CB 3.16Å; S331-S335 PolarHBondContact O-N 3.27Å; S331-S335 PolarHBondContact O-OG 3.3Å; S331-S335 VanDerWaalsContact O-OG 3.13Å; V333-S335 PolarHBondContact O-N 3.32Å; S335-S338 PolarHBondContact O-N 2.92Å; S335-S338 PolarHBondContact O-OG 2.88Å; S335-S338 VanDerWaalsContact O-OG 3.13Å; S335-G339 PolarHBondContact O-N 3.33Å; S335-S340 CarbonylContact C-O 3.58Å; S335-S340 WeakPolarHBondContact CA-O 3.49Å; S335-S340 WeakPolarHBondContact CB-O 3.39Å; S335-S340 PolarHBondContact O-N 3.17Å; S335-S340 VanDerWaalsContact O-N 3.14Å; S335-S340 PolarHBondContact OG-O 3.46Å; S335-S340 VanDerWaalsContact OG-O 3.11Å
336T94.6Very high91.2Very high20 Ų2050.5 Ų50.512%0.12330%0.303CS..Hα-helixtrans-68.8-33.4177.852.40000112.7F183 K215 P272 F332 V333 L341F183-T336 VanDerWaalsContact CE1-OG1 3.25Å; F183-T336 WeakPolarHBondContact CE1-OG1 3.28Å; F183-T336 WeakPolarHBondContact CZ-OG1 3.31Å; K215-T336 WeakPolarHBondContact O-CB 3.39Å; P272-T336 HydrophobicContact CB-CG2 4.02Å; P272-T336 HydrophobicContact CG-CG2 4.13Å; F332-T336 HydrophobicContact CD2-CG2 3.85Å; F332-T336 HydrophobicContact CE2-CG2 3.59Å; F332-T336 HydrophobicContact CZ-CG2 4.03Å; F332-T336 WeakPolarHBondContact O-CB 3.45Å; F332-T336 VanDerWaalsContact O-CG2 3.26Å; F332-T336 WeakPolarHBondContact O-CG2 3.41Å; F332-T336 PolarHBondContact O-N 3.09Å; F332-T336 PolarHBondContact O-OG1 3.46Å; V333-T336 PolarHBondContact O-N 2.95Å; V333-T336 PolarHBondContact O-OG1 3.05Å; T336-L341 HydrophobicContact CG2-CD2 4.1Å
337L94.9Very high90.4Very high86 Ų8651.8 Ų51.845%0.4531%0.308SS..Hα-helixtrans-75.4-34.6176.3-66.4178.3000113.4P110 P181 F183 K215 V333 Q334P110-L337 HydrophobicContact CG-CD1 4.44Å; P181-L337 HydrophobicContact CB-CD2 3.47Å; P181-L337 VanDerWaalsContact CB-CD2 3.47Å; P181-L337 HydrophobicContact CG-CD1 4.21Å; P181-L337 HydrophobicContact CG-CD2 3.72Å; F183-L337 HydrophobicContact CZ-CD2 4.33Å; F183-L337 HydrophobicContact CZ-CG 4.33Å; K215-L337 HydrophobicContact CG-CD2 4.22Å; V333-L337 HydrophobicContact CG1-CD1 3.84Å; V333-L337 HydrophobicContact CG1-CG 4.45Å; V333-L337 WeakPolarHBondContact O-CB 3.38Å; V333-L337 WeakPolarHBondContact O-CG 3.44Å; V333-L337 PolarHBondContact O-N 2.71Å; Q334-L337 PolarHBondContact O-N 2.87Å
338S93.4Very high89.7Confident87 Ų8747.4 Ų47.461%0.60828%0.284SS*.Hα-helixtrans-79.8-1717660.60000113.6Q334 S335 S340Q334-S338 WeakPolarHBondContact O-CB 3.14Å; Q334-S338 PolarHBondContact O-N 2.89Å; Q334-S338 PolarHBondContact O-OG 2.85Å; S335-S338 PolarHBondContact O-N 2.92Å; S335-S338 PolarHBondContact O-OG 2.88Å; S335-S338 VanDerWaalsContact O-OG 3.13Å; S338-S340 VanDerWaalsContact C-N 3.3Å
339G89.8Confident88.3Confident70 Ų7056.1 Ų56.172%0.72233%0.329SS*.THydrogen-bonded Turntrans78.710.8-175.400000114.1S335S335-G339 PolarHBondContact O-N 3.33Å
340S89.2Confident87.9Confident53 Ų5359 Ų5937%0.37135%0.345SS..  trans-122.5116.8177.5-176.50000110.9S335 S338S335-S340 CarbonylContact C-O 3.58Å; S335-S340 WeakPolarHBondContact CA-O 3.49Å; S335-S340 WeakPolarHBondContact CB-O 3.39Å; S335-S340 PolarHBondContact O-N 3.17Å; S335-S340 VanDerWaalsContact O-N 3.14Å; S335-S340 PolarHBondContact OG-O 3.46Å; S335-S340 VanDerWaalsContact OG-O 3.11Å; S338-S340 VanDerWaalsContact C-N 3.3Å
341L85.7Confident87.4Confident33 Ų3360.2 Ų60.217%0.17335%0.352CS..  trans-92-0.3-176.3-58.8175.4000113.9P272 S302 F304 T336 A343 L344 E345P272-L341 HydrophobicContact CB-CD1 4.25Å; P272-L341 HydrophobicContact CB-CD2 4.39Å; P272-L341 HydrophobicContact CG-CD1 4.16Å; P272-L341 HydrophobicContact CG-CD2 4.41Å; S302-L341 VanDerWaalsContact OG-CD1 3.29Å; S302-L341 WeakPolarHBondContact OG-CD1 3.33Å; F304-L341 HydrophobicContact CE2-CB 4.32Å; F304-L341 HydrophobicContact CE2-CD1 3.98Å; F304-L341 HydrophobicContact CZ-CB 3.85Å; F304-L341 HydrophobicContact CZ-CD1 3.99Å; F304-L341 HydrophobicContact CZ-CG 4.44Å; T336-L341 HydrophobicContact CG2-CD2 4.1Å; L341-A343 PolarHBondContact O-N 2.9Å; L341-L344 WeakPolarHBondContact O-CB 3.44Å; L341-L344 PolarHBondContact O-N 3.45Å; L341-L344 VanDerWaalsContact O-N 3.12Å; L341-E345 PolarHBondContact O-N 3.37Å
342N80.9Confident86.9Confident110 Ų11062.9 Ų62.959%0.58837%0.368SS*.Hα-helixtrans-60.1-44-172-61.31000113.1L344 E345N342-L344 PolarHBondContact O-N 2.85Å; N342-E345 WeakPolarHBondContact O-CB 3.39Å; N342-E345 PolarHBondContact O-N 2.94Å
343A78.3Confident86.3Confident56 Ų5666.6 Ų66.646%0.46339%0.389SS..Hα-helixtrans-62.9-25.5-17900000113.3L341L341-A343 PolarHBondContact O-N 2.9Å
344L83.2Confident85.7Confident0 Ų070.6 Ų70.60%041%0.412CS..Hα-helixtrans-78.2-32.7179.3-178.667.9000112.3I274 F304 F332 L341 N342 D346 L347 I348I274-L344 HydrophobicContact CD1-CD1 3.86Å; I274-L344 HydrophobicContact CD1-CD2 3.95Å; I274-L344 HydrophobicContact CD1-CG 4.4Å; I274-L344 HydrophobicContact CG1-CD2 4.23Å; F304-L344 HydrophobicContact CD2-CD2 3.57Å; F304-L344 HydrophobicContact CD2-CG 4.47Å; F304-L344 HydrophobicContact CE2-CD2 3.59Å; F304-L344 HydrophobicContact CG-CD2 4.19Å; F304-L344 HydrophobicContact CZ-CD2 4.23Å; F332-L344 HydrophobicContact CB-CD1 4.08Å; F332-L344 HydrophobicContact CB-CD2 4.47Å; F332-L344 HydrophobicContact CD2-CD2 3.62Å; F332-L344 HydrophobicContact CE2-CD2 4.37Å; L341-L344 WeakPolarHBondContact O-CB 3.44Å; L341-L344 PolarHBondContact O-N 3.45Å; L341-L344 VanDerWaalsContact O-N 3.12Å; N342-L344 PolarHBondContact O-N 2.85Å; L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 2.88Å; L344-L347 PolarHBondContact O-N 2.86Å; L344-I348 HydrophobicContact CD1-CD1 3.78Å; L344-I348 HydrophobicContact CD1-CG1 4.23Å; L344-I348 HydrophobicContact CD2-CD1 4.17Å; L344-I348 HydrophobicContact CG-CD1 3.66Å; L344-I348 HydrophobicContact CG-CG1 4.35Å; L344-I348 WeakPolarHBondContact O-CG1 3.31Å; L344-I348 PolarHBondContact O-N 3.48Å
345E80.8Confident85Confident90 Ų9067.1 Ų67.142%0.42140%0.401SS..Hα-helixtrans-57.9-44178.8-75.8176.6178.200111.2F304 L341 N342 L347 I348 I349F304-E345 HydrophobicContact CD1-CG 4.12Å; F304-E345 HydrophobicContact CE1-CG 3.4Å; F304-E345 VanDerWaalsContact CE1-CG 3.4Å; F304-E345 HydrophobicContact CZ-CG 4.24Å; L341-E345 PolarHBondContact O-N 3.37Å; N342-E345 WeakPolarHBondContact O-CB 3.39Å; N342-E345 PolarHBondContact O-N 2.94Å; E345-L347 PolarHBondContact O-N 3.05Å; E345-I348 PolarHBondContact O-N 3.19Å; E345-I349 WeakPolarHBondContact O-CG1 3.29Å; E345-I349 PolarHBondContact O-N 2.65Å
346D79.5Confident84.3Confident133 Ų13371.6 Ų71.671%0.71143%0.428SS*.Hα-helixtrans-65.2-23.4-179-67.4-26.9000113.9L344L344-D346 VanDerWaalsContact C-N 3.28Å; L344-D346 PolarHBondContact O-N 2.88Å
347L79.5Confident83.5Confident66 Ų6675.5 Ų75.535%0.34645%0.451SS..Hα-helixtrans-90.7-22.5179.6-70.9171.8000113.3K306 I328 L344 E345K306-L347 PolarHBondContact NZ-O 3.03Å; I328-L347 HydrophobicContact CG1-CB 4.37Å; L344-L347 PolarHBondContact O-N 2.86Å; E345-L347 PolarHBondContact O-N 3.05Å
348I81.2Confident82.5Confident12 Ų1274.7 Ų74.76%0.06245%0.451CS..Hα-helixtrans-90.9-35.6-175-67.8179.9000111.9I274 F304 F305 K306 L344 E345I274-I348 HydrophobicContact CD1-CD1 4.05Å; I274-I348 HydrophobicContact CG1-CD1 4.11Å; I274-I348 HydrophobicContact CG2-CD1 4.41Å; F304-I348 HydrophobicContact CB-CD1 3.24Å; F304-I348 HydrophobicContact CB-CG1 4.46Å; F304-I348 HydrophobicContact CB-CG2 4.17Å; F304-I348 HydrophobicContact CD1-CD1 4.35Å; F304-I348 HydrophobicContact CD2-CD1 4.44Å; F304-I348 HydrophobicContact CG-CD1 3.78Å; F305-I348 WeakPolarHBondContact O-CG2 3.36Å; K306-I348 HydrophobicContact CB-CG2 4.11Å; K306-I348 HydrophobicContact CD-CG2 4.38Å; K306-I348 WeakPolarHBondContact CD-O 3.42Å; L344-I348 HydrophobicContact CD1-CD1 3.78Å; L344-I348 HydrophobicContact CD1-CG1 4.23Å; L344-I348 HydrophobicContact CD2-CD1 4.17Å; L344-I348 HydrophobicContact CG-CD1 3.66Å; L344-I348 HydrophobicContact CG-CG1 4.35Å; L344-I348 WeakPolarHBondContact O-CG1 3.31Å; L344-I348 PolarHBondContact O-N 3.48Å; E345-I348 PolarHBondContact O-N 3.19Å
349I68.9Low81.5Confident186 Ų18673.5 Ų73.595%0.95444%0.437SS*.  trans-67.20172-60.5169.3000109.6E345E345-I349 WeakPolarHBondContact O-CG1 3.29Å; E345-I349 PolarHBondContact O-N 2.65Å

Retrieved 349 of 349 residues in 195.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).