A0A077ZJ29_TRITR Loading...

Lysosomal acid phosphatase

AlphaFold DB , UniProt , Accession A0A077ZJ29, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 243 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.6Low87.4Confident203 Ų20373.2 Ų73.2100%137%0.368SS*.  0-44.10-160.2173.3-72.500111K3 G4 I5M1-K3 PolarHBondContact O-N 2.84Å; M1-G4 PolarHBondContact O-N 3Å; M1-I5 HydrophobicContact CG-CD1 4.08Å; M1-I5 PolarHBondContact O-N 3.01Å
2E84.4Confident87.7Confident149 Ų14967.1 Ų67.170%0.69634%0.337SS*.Hα-helixtrans-54.9-49.4-178-65.4174-176.900114.7G4 I5 Q6E2-G4 VanDerWaalsContact C-N 3.32Å; E2-G4 PolarHBondContact O-N 3.28Å; E2-I5 PolarHBondContact O-N 3.41Å; E2-I5 VanDerWaalsContact O-N 3.08Å; E2-Q6 VanDerWaalsContact O-CG 3.29Å; E2-Q6 WeakPolarHBondContact O-CG 3.48Å; E2-Q6 PolarHBondContact O-N 3.22Å
3K89.8Confident87.9Confident146 Ų14666.4 Ų66.464%0.63533%0.331SS*.Hα-helixtrans-52.8-46.4-179.1-173.4-177.9177.2-168.70113.2M1 I5 Q6 E7M1-K3 PolarHBondContact O-N 2.84Å; K3-I5 PolarHBondContact O-N 2.99Å; K3-Q6 WeakPolarHBondContact O-CB 3.25Å; K3-Q6 PolarHBondContact O-N 3.1Å; K3-E7 WeakPolarHBondContact CE-OE1 3.48Å; K3-E7 IonicContact NZ-OE1 3.03Å; K3-E7 WeakPolarHBondContact O-CG 3.33Å; K3-E7 PolarHBondContact O-N 3.42Å
4G89Confident88.2Confident35 Ų3565.5 Ų65.536%0.36132%0.324SS..Hα-helixtrans-66.4-38179.800000112.8M1 E2 E7 Q8M1-G4 PolarHBondContact O-N 3Å; E2-G4 VanDerWaalsContact C-N 3.32Å; E2-G4 PolarHBondContact O-N 3.28Å; G4-E7 PolarHBondContact O-N 3.38Å; G4-Q8 VanDerWaalsContact O-CG 3.23Å; G4-Q8 WeakPolarHBondContact O-CG 3.48Å; G4-Q8 PolarHBondContact O-N 3.32Å; G4-Q8 VanDerWaalsContact O-N 3.08Å
5I88.8Confident88.4Confident48 Ų4861.9 Ų61.925%0.24631%0.307CS..Hα-helixtrans-64-43.3174.7-66.7170.6000110.3M1 E2 K3 Q8 C9 M43 A47M1-I5 HydrophobicContact CG-CD1 4.08Å; M1-I5 PolarHBondContact O-N 3.01Å; E2-I5 PolarHBondContact O-N 3.41Å; E2-I5 VanDerWaalsContact O-N 3.08Å; K3-I5 PolarHBondContact O-N 2.99Å; I5-Q8 PolarHBondContact O-N 2.86Å; I5-C9 WeakPolarHBondContact O-CB 3.4Å; I5-C9 PolarHBondContact O-N 2.91Å; I5-M43 HydrophobicContact CD1-CE 4.22Å; I5-A47 HydrophobicContact CG2-CB 4.04Å
6Q90.8Very high88.3Confident82 Ų8263.7 Ų63.738%0.38331%0.309SS..Hα-helixtrans-61.8-47177.7-66.5175.9-900111.6E2 K3 Q8 C9 L10 M57E2-Q6 VanDerWaalsContact O-CG 3.29Å; E2-Q6 WeakPolarHBondContact O-CG 3.48Å; E2-Q6 PolarHBondContact O-N 3.22Å; K3-Q6 WeakPolarHBondContact O-CB 3.25Å; K3-Q6 PolarHBondContact O-N 3.1Å; Q6-Q8 VanDerWaalsContact C-N 3.33Å; Q6-Q8 PolarHBondContact O-N 3.26Å; Q6-C9 PolarHBondContact O-N 3.25Å; Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 VanDerWaalsContact O-CG 3.28Å; Q6-L10 WeakPolarHBondContact O-CG 3.44Å; Q6-L10 PolarHBondContact O-N 2.99Å; Q6-M57 HydrophobicContact CB-SD 4.15Å; Q6-M57 HydrophobicContact CG-CE 3.73Å; Q6-M57 HydrophobicContact CG-SD 3.72Å
7E92.7Very high88.5Confident25 Ų2568.3 Ų68.312%0.11733%0.33CS..Hα-helixtrans-60.4-41.4178-73.5177.8176.700112.2K3 G4 L10 L11 H190K3-E7 WeakPolarHBondContact CE-OE1 3.48Å; K3-E7 IonicContact NZ-OE1 3.03Å; K3-E7 WeakPolarHBondContact O-CG 3.33Å; K3-E7 PolarHBondContact O-N 3.42Å; G4-E7 PolarHBondContact O-N 3.38Å; E7-L10 PolarHBondContact O-N 3.43Å; E7-L11 PolarHBondContact O-N 3.03Å; E7-H190 HydrophobicContact CB-CB 4.34Å; E7-H190 HydrophobicContact CG-CB 3.88Å
8Q91.5Very high88.6Confident27 Ų2768.9 Ų68.913%0.12633%0.328CS..Hα-helixtrans-68-41.2176.1-67.5-68.4-6.200112G4 I5 Q6 L10 L11 G12 A47 T48G4-Q8 VanDerWaalsContact O-CG 3.23Å; G4-Q8 WeakPolarHBondContact O-CG 3.48Å; G4-Q8 PolarHBondContact O-N 3.32Å; G4-Q8 VanDerWaalsContact O-N 3.08Å; I5-Q8 PolarHBondContact O-N 2.86Å; Q6-Q8 VanDerWaalsContact C-N 3.33Å; Q6-Q8 PolarHBondContact O-N 3.26Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.22Å; Q8-L11 WeakPolarHBondContact O-CB 3.17Å; Q8-L11 PolarHBondContact O-N 3.34Å; Q8-G12 PolarHBondContact O-N 3.42Å; Q8-A47 HydrophobicContact CB-CB 3.75Å; Q8-T48 WeakPolarHBondContact O-CA 3.47Å; Q8-T48 PolarHBondContact O-OG1 3.01Å; Q8-T48 PolarHBondContact OE1-OG1 3.48Å
9C90.3Very high88.5Confident8 Ų867.7 Ų67.75%0.05432%0.32CS..Hα-helixtrans-59.9-43.4173.3-174.60000111.7I5 Q6 L11 G12 K13 A47 G51 M57I5-C9 WeakPolarHBondContact O-CB 3.4Å; I5-C9 PolarHBondContact O-N 2.91Å; Q6-C9 PolarHBondContact O-N 3.25Å; C9-L11 VanDerWaalsContact C-N 3.34Å; C9-L11 PolarHBondContact O-N 3.05Å; C9-G12 WeakPolarHBondContact O-CA 3.41Å; C9-G12 PolarHBondContact O-N 3.01Å; C9-G12 VanDerWaalsContact O-N 3.17Å; C9-K13 PolarHBondContact O-N 3.33Å; C9-A47 WeakPolarHBondContact CA-O 3.28Å; C9-G51 WeakPolarHBondContact O-CA 3.34Å; C9-M57 HydrophobicContact CB-SD 4.46Å
10L92.8Very high88.4Confident74 Ų7467.8 Ų67.839%0.38733%0.328SS..Hα-helixtrans-66.5-35176-68.6169.7000112.2Q6 E7 Q8 G12 K13 F14 H190Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 VanDerWaalsContact O-CG 3.28Å; Q6-L10 WeakPolarHBondContact O-CG 3.44Å; Q6-L10 PolarHBondContact O-N 2.99Å; E7-L10 PolarHBondContact O-N 3.43Å; Q8-L10 VanDerWaalsContact C-N 3.32Å; Q8-L10 PolarHBondContact O-N 3.22Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-K13 HydrophobicContact CD2-CD 4.47Å; L10-K13 PolarHBondContact O-N 3.13Å; L10-F14 PolarHBondContact O-N 3.26Å; L10-H190 VanDerWaalsContact CD1-CE1 3.41Å; L10-H190 WeakPolarHBondContact CD1-CE1 3.15Å
11L93.2Very high88Confident8 Ų873.7 Ų73.74%0.04236%0.355CS..Hα-helixtrans-60.6-44.7169.8176.164.3000111E7 Q8 C9 K13 F14 L15 C168E7-L11 PolarHBondContact O-N 3.03Å; Q8-L11 WeakPolarHBondContact O-CB 3.17Å; Q8-L11 PolarHBondContact O-N 3.34Å; C9-L11 VanDerWaalsContact C-N 3.34Å; C9-L11 PolarHBondContact O-N 3.05Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.28Å; L11-F14 HydrophobicContact CD1-CD1 4.21Å; L11-F14 WeakPolarHBondContact O-CB 3.5Å; L11-F14 PolarHBondContact O-N 3.5Å; L11-L15 HydrophobicContact CD1-CD1 4.4Å; L11-L15 HydrophobicContact CD1-CG 4.29Å; L11-L15 HydrophobicContact CG-CD1 4.17Å; L11-L15 HydrophobicContact CG-CG 4.49Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.4Å; L11-C168 HydrophobicContact CD1-CB 3.66Å; L11-C168 HydrophobicContact CD2-CB 4.05Å; L11-C168 HydrophobicContact CG-CB 4.49Å
12G90.3Very high88.7Confident0 Ų070.4 Ų70.40%034%0.336CS..Hα-helixtrans-54.9-47.4173.800000113.2Q8 C9 L10 L15 R16 T48 F52Q8-G12 PolarHBondContact O-N 3.42Å; C9-G12 WeakPolarHBondContact O-CA 3.41Å; C9-G12 PolarHBondContact O-N 3.01Å; C9-G12 VanDerWaalsContact O-N 3.17Å; L10-G12 VanDerWaalsContact C-N 3.34Å; G12-L15 PolarHBondContact O-N 2.9Å; G12-R16 PolarHBondContact O-N 2.99Å; G12-T48 WeakPolarHBondContact CA-O 2.94Å; G12-F52 WeakPolarHBondContact O-CA 3.08Å; G12-F52 WeakPolarHBondContact O-CD2 3.37Å
13K90.5Very high88.1Confident58 Ų5864.2 Ų64.225%0.25231%0.307SS..Hα-helixtrans-61.9-44.4176.8-67.5-177.2-178.5-170.20112.2C9 L10 L11 L15 R16 E17C9-K13 PolarHBondContact O-N 3.33Å; L10-K13 HydrophobicContact CD2-CD 4.47Å; L10-K13 PolarHBondContact O-N 3.13Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.28Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.13Å; K13-R16 WeakPolarHBondContact O-CB 3.35Å; K13-R16 PolarHBondContact O-N 2.86Å; K13-E17 WeakPolarHBondContact O-CG 3.41Å; K13-E17 PolarHBondContact O-N 3.08Å
14F92.8Very high87Confident54 Ų5463.2 Ų63.224%0.23731%0.313CS..Hα-helixtrans-57.3-45.8174.8164.8-95.5000112L10 L11 R16 E17 R18 M170 L194L10-F14 PolarHBondContact O-N 3.26Å; L11-F14 HydrophobicContact CD1-CD1 4.21Å; L11-F14 WeakPolarHBondContact O-CB 3.5Å; L11-F14 PolarHBondContact O-N 3.5Å; F14-R16 VanDerWaalsContact C-N 3.34Å; F14-R16 PolarHBondContact O-N 2.97Å; F14-E17 PolarHBondContact O-N 2.91Å; F14-R18 WeakPolarHBondContact O-CB 3.46Å; F14-R18 PolarHBondContact O-N 3.09Å; F14-M170 HydrophobicContact CE1-SD 3.93Å; F14-L194 HydrophobicContact CZ-CD1 4.27Å
15L90.7Very high86.1Confident12 Ų1266.4 Ų66.46%0.06332%0.322CS..Hα-helixtrans-65-38.8178.7-67.6172.1000111.4L11 G12 K13 R18 Y19 T48 F52 M170L11-L15 HydrophobicContact CD1-CD1 4.4Å; L11-L15 HydrophobicContact CD1-CG 4.29Å; L11-L15 HydrophobicContact CG-CD1 4.17Å; L11-L15 HydrophobicContact CG-CG 4.49Å; L11-L15 WeakPolarHBondContact O-CG 3.47Å; L11-L15 PolarHBondContact O-N 3.4Å; G12-L15 PolarHBondContact O-N 2.9Å; K13-L15 VanDerWaalsContact C-N 3.34Å; K13-L15 PolarHBondContact O-N 3.13Å; L15-R18 PolarHBondContact O-N 2.75Å; L15-Y19 HydrophobicContact CB-CD2 4.44Å; L15-Y19 HydrophobicContact CD2-CE2 3.89Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 WeakPolarHBondContact O-CD2 3.29Å; L15-Y19 PolarHBondContact O-N 2.64Å; L15-T48 HydrophobicContact CD1-CG2 4.17Å; L15-F52 HydrophobicContact CB-CD2 3.65Å; L15-F52 HydrophobicContact CB-CE2 3.77Å; L15-M170 HydrophobicContact CD2-CG 4.1Å; L15-M170 HydrophobicContact CD2-SD 3.93Å
16R87.3Confident85.3Confident90 Ų9067 Ų6734%0.3432%0.322SS..Hα-helixtrans-59.7-46.2174.8-177.9-163.6176.6117.1-10111.5G12 K13 F14 S20 F52 A53G12-R16 PolarHBondContact O-N 2.99Å; K13-R16 WeakPolarHBondContact O-CB 3.35Å; K13-R16 PolarHBondContact O-N 2.86Å; F14-R16 VanDerWaalsContact C-N 3.34Å; F14-R16 PolarHBondContact O-N 2.97Å; R16-S20 WeakPolarHBondContact O-CA 3.29Å; R16-S20 WeakPolarHBondContact O-CB 3.49Å; R16-S20 PolarHBondContact O-N 2.98Å; R16-S20 VanDerWaalsContact O-N 3.09Å; R16-F52 HydrophobicContact CB-CD2 4.13Å; R16-F52 HydrophobicContact CB-CE2 4.3Å; R16-F52 WeakPolarHBondContact CD-O 3.19Å; R16-F52 WeakPolarHBondContact CG-O 3.39Å; R16-F52 PolarHBondContact NH1-O 2.54Å; R16-A53 PolarHBondContact NH1-O 3.3Å
17E90.7Very high84.4Confident142 Ų14264.2 Ų64.266%0.66431%0.311SS*.Hα-helixtrans-64.9-45.5177.8-71.8171.9-173.900111.5K13 F14 Y19 S20K13-E17 WeakPolarHBondContact O-CG 3.41Å; K13-E17 PolarHBondContact O-N 3.08Å; F14-E17 PolarHBondContact O-N 2.91Å; E17-Y19 VanDerWaalsContact C-N 3.29Å; E17-Y19 PolarHBondContact O-N 2.86Å; E17-S20 PolarHBondContact O-N 2.91Å; E17-S20 PolarHBondContact O-OG 3.38Å
18R91.1Very high83.4Confident79 Ų7970.2 Ų70.230%0.29834%0.337SS..Hα-helixtrans-58.4-41.4179.5-178.7174.9-178.475.94.9112.5F14 L15 E172F14-R18 WeakPolarHBondContact O-CB 3.46Å; F14-R18 PolarHBondContact O-N 3.09Å; L15-R18 PolarHBondContact O-N 2.75Å; R18-E172 IonicContact CZ-OE1 3.17Å; R18-E172 IonicContact NE-OE1 2.74Å; R18-E172 PolarHBondContact NE-OE1 2.82Å; R18-E172 VanDerWaalsContact NH2-CD 3.27Å; R18-E172 IonicContact NH2-OE1 3.74Å; R18-E172 PolarHBondContact NH2-OE1 2.85Å; R18-E172 IonicContact NH2-OE2 3.73Å; R18-E172 PolarHBondContact NH2-OE2 2.76Å
19Y87.2Confident82.4Confident47 Ų4778 Ų7818%0.18437%0.37CS..THydrogen-bonded Turntrans-104.114.9-173.3-60.5-53.8000113.9L15 E17 Q21 F22 M23 M170 E172L15-Y19 HydrophobicContact CB-CD2 4.44Å; L15-Y19 HydrophobicContact CD2-CE2 3.89Å; L15-Y19 WeakPolarHBondContact O-CB 3.49Å; L15-Y19 WeakPolarHBondContact O-CD2 3.29Å; L15-Y19 PolarHBondContact O-N 2.64Å; E17-Y19 VanDerWaalsContact C-N 3.29Å; E17-Y19 PolarHBondContact O-N 2.86Å; Y19-Q21 PolarHBondContact O-N 3.19Å; Y19-Q21 VanDerWaalsContact O-N 3.1Å; Y19-F22 PolarHBondContact O-N 3.13Å; Y19-M23 HydrophobicContact CD2-CE 3.5Å; Y19-M23 HydrophobicContact CG-CE 3.55Å; Y19-M23 PolarHBondContact O-N 3.4Å; Y19-M170 WeakPolarHBondContact OH-CB 3.47Å; Y19-M170 VanDerWaalsContact OH-CG 3.3Å; Y19-M170 WeakPolarHBondContact OH-CG 3.41Å; Y19-E172 HydrophobicContact CE1-CG 4.3Å; Y19-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y19-E172 WeakPolarHBondContact CE1-OE1 3.28Å; Y19-E172 PolarHBondContact OH-OE1 2.76Å
20S85.2Confident81.3Confident69 Ų6979.4 Ų79.448%0.48338%0.379SS..THydrogen-bonded Turntrans-60.2-25-175.870.10000113.7R16 E17R16-S20 WeakPolarHBondContact O-CA 3.29Å; R16-S20 WeakPolarHBondContact O-CB 3.49Å; R16-S20 PolarHBondContact O-N 2.98Å; R16-S20 VanDerWaalsContact O-N 3.09Å; E17-S20 PolarHBondContact O-N 2.91Å; E17-S20 PolarHBondContact O-OG 3.38Å
21Q80Confident80.4Confident191 Ų19176.2 Ų76.289%0.89336%0.362SS*.THydrogen-bonded Turntrans-78.2-24.6177.5-65-172.8-7.700113.4Y19Y19-Q21 PolarHBondContact O-N 3.19Å; Y19-Q21 VanDerWaalsContact O-N 3.1Å
22F73.6Confident79.8Confident135 Ų13579 Ų7959%0.59237%0.372SS*.THydrogen-bonded Turntrans-103.9-40.1-175.4177-102.1000112Y19 E137Y19-F22 PolarHBondContact O-N 3.13Å; F22-E137 HydrophobicContact CE1-CG 4.3Å
23M71.3Confident79.5Confident18 Ų1879 Ų799%0.08937%0.373CS..  trans-102.2101.8-177.6-67.3-168.8-98.100111.6Y19 Y26 I31 F52Y19-M23 HydrophobicContact CD2-CE 3.5Å; Y19-M23 HydrophobicContact CG-CE 3.55Å; Y19-M23 PolarHBondContact O-N 3.4Å; M23-Y26 HydrophobicContact CB-CD1 4.39Å; M23-Y26 HydrophobicContact CB-CE1 3.77Å; M23-Y26 PolarHBondContact O-OH 3.44Å; M23-I31 HydrophobicContact SD-CG1 4.42Å; M23-F52 HydrophobicContact CE-CE1 4.46Å; M23-F52 HydrophobicContact CE-CE2 3.98Å; M23-F52 HydrophobicContact CE-CZ 3.42Å; M23-F52 VanDerWaalsContact CE-CZ 3.42Å; M23-F52 HydrophobicContact SD-CE1 4.14Å; M23-F52 HydrophobicContact SD-CZ 3.63Å
24T67.6Low79.2Confident126 Ų12677.3 Ų77.377%0.77337%0.365SS*.  trans-101.8-20.8175550000113.3
25N69.7Low78.8Confident102 Ų10274.7 Ų74.755%0.54535%0.353SS..  trans-124.5106.7-177.9-173-0000111.1S27 T30N25-S27 PolarHBondContact O-N 2.92Å; N25-T30 PolarHBondContact O-OG1 3.42Å
26Y73Confident78.3Confident60 Ų6074.1 Ų74.124%0.23535%0.35CS..  trans-89.299.8178.6-48.1-55.1000109.6M23 I31 F52M23-Y26 HydrophobicContact CB-CD1 4.39Å; M23-Y26 HydrophobicContact CB-CE1 3.77Å; M23-Y26 PolarHBondContact O-OH 3.44Å; Y26-I31 HydrophobicContact CD1-CD1 3.89Å; Y26-I31 HydrophobicContact CG-CD1 4.47Å; Y26-F52 HydrophobicContact CD1-CD1 4.22Å; Y26-F52 AromaticContact CD1-CE1 3.5Å; Y26-F52 HydrophobicContact CD1-CE1 3.5Å; Y26-F52 VanDerWaalsContact CD1-CE1 3.5Å; Y26-F52 HydrophobicContact CD1-CZ 4.35Å; Y26-F52 HydrophobicContact CE1-CD1 4.36Å; Y26-F52 AromaticContact CE1-CE1 3.51Å; Y26-F52 HydrophobicContact CE1-CE1 3.51Å; Y26-F52 AromaticContact CE1-CZ 3.97Å; Y26-F52 HydrophobicContact CE1-CZ 3.97Å; Y26-F52 HydrophobicContact CG-CE1 4.44Å
27S70.5Confident78.1Confident24 Ų2472.8 Ų72.817%0.16835%0.35CS..SBendtrans-144.7162.8178.878.30000110.9N25 K29 T30 I31N25-S27 PolarHBondContact O-N 2.92Å; S27-K29 PolarHBondContact O-N 3.08Å; S27-K29 WeakPolarHBondContact OG-CB 3.49Å; S27-K29 PolarHBondContact OG-N 2.91Å; S27-T30 PolarHBondContact N-OG1 3.3Å; S27-T30 VanDerWaalsContact N-OG1 3.13Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-OG1 3.27Å; S27-T30 PolarHBondContact OG-OG1 2.9Å; S27-I31 PolarHBondContact O-N 3.4Å
28K71.6Confident77.7Confident151 Ų15166.7 Ų66.766%0.65732%0.323SS*.THydrogen-bonded Turntrans-58.9-11.2170.868177.3-177.7179.90115
29K70.2Confident77.5Confident189 Ų18969.6 Ų69.682%0.82234%0.344SS*.THydrogen-bonded Turntrans-84-25.8176.3-64.5-176.5176.6-178.40112.2S27S27-K29 PolarHBondContact O-N 3.08Å; S27-K29 WeakPolarHBondContact OG-CB 3.49Å; S27-K29 PolarHBondContact OG-N 2.91Å
30T68.5Low77.5Confident38 Ų3875 Ų7523%0.23337%0.365CS..THydrogen-bonded Turntrans-100.6-56.2-179.543.40000108.6N25 S27 E137N25-T30 PolarHBondContact O-OG1 3.42Å; S27-T30 PolarHBondContact N-OG1 3.3Å; S27-T30 VanDerWaalsContact N-OG1 3.13Å; S27-T30 PolarHBondContact O-N 3.24Å; S27-T30 PolarHBondContact O-OG1 3.27Å; S27-T30 PolarHBondContact OG-OG1 2.9Å; T30-E137 WeakPolarHBondContact CA-OE2 3.46Å; T30-E137 WeakPolarHBondContact CB-OE1 3.43Å; T30-E137 WeakPolarHBondContact CB-OE2 3.43Å; T30-E137 WeakPolarHBondContact O-CB 3.44Å
31I74Confident77.6Confident7 Ų772 Ų724%0.03634%0.343CS..  trans-93.1124.6-172.5-59164.7000111.6M23 Y26 S27 V33 I49 F52 I68 E137M23-I31 HydrophobicContact SD-CG1 4.42Å; Y26-I31 HydrophobicContact CD1-CD1 3.89Å; Y26-I31 HydrophobicContact CG-CD1 4.47Å; S27-I31 PolarHBondContact O-N 3.4Å; I31-V33 HydrophobicContact CG2-CG2 3.75Å; I31-I49 HydrophobicContact CG2-CD1 4.23Å; I31-F52 HydrophobicContact CD1-CD1 3.99Å; I31-F52 HydrophobicContact CD1-CE1 3.52Å; I31-I68 HydrophobicContact CB-CD1 4.08Å; I31-I68 HydrophobicContact CB-CG2 4.21Å; I31-I68 HydrophobicContact CD1-CD1 3.69Å; I31-I68 HydrophobicContact CG1-CD1 4.47Å; I31-I68 HydrophobicContact CG2-CD1 4.31Å; I31-I68 HydrophobicContact CG2-CG2 3.93Å; I31-E137 WeakPolarHBondContact CA-O 3.35Å
32Y81.2Confident77.9Confident66 Ų6664.9 Ų64.926%0.25931%0.311SS..EExtended strand (participates in β ladder)trans-105.1134.6169.2178.9-106.4000109.9R34 Y71 E137 A138 V139Y32-R34 HydrophobicContact CE1-CB 3.74Å; Y32-R34 HydrophobicContact CE1-CG 4.4Å; Y32-Y71 AromaticContact CD2-CD2 3.78Å; Y32-Y71 HydrophobicContact CD2-CD2 3.78Å; Y32-Y71 AromaticContact CD2-CE2 3.8Å; Y32-Y71 HydrophobicContact CD2-CE2 3.8Å; Y32-Y71 AromaticContact CE2-CD2 3.27Å; Y32-Y71 HydrophobicContact CE2-CD2 3.27Å; Y32-Y71 AromaticContact CE2-CE2 3.62Å; Y32-Y71 HydrophobicContact CE2-CE2 3.62Å; Y32-Y71 HydrophobicContact CE2-CG 4.02Å; Y32-E137 PolarHBondContact N-O 3.18Å; Y32-A138 HydrophobicContact CD1-CB 4.34Å; Y32-A138 CarbonylContact O-C 3.57Å; Y32-A138 VanDerWaalsContact O-CA 3.26Å; Y32-A138 WeakPolarHBondContact O-CA 3.47Å; Y32-V139 PolarHBondContact O-N 3.47Å
33V82.8Confident78.6Confident1 Ų161.2 Ų61.21%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-130.1124.2-177.5-168.80000109.9I31 I49 I68 V70 Y71 V139I31-V33 HydrophobicContact CG2-CG2 3.75Å; V33-I49 HydrophobicContact CB-CD1 4.48Å; V33-I49 HydrophobicContact CB-CG1 4.42Å; V33-I49 HydrophobicContact CG1-CD1 4.28Å; V33-I49 HydrophobicContact CG1-CG1 3.93Å; V33-I49 HydrophobicContact CG2-CD1 3.41Å; V33-I49 VanDerWaalsContact CG2-CD1 3.41Å; V33-I49 HydrophobicContact CG2-CG1 3.72Å; V33-I68 HydrophobicContact CG2-CG2 3.44Å; V33-I68 VanDerWaalsContact CG2-CG2 3.44Å; V33-V70 HydrophobicContact CB-CG2 4.36Å; V33-V70 HydrophobicContact CG1-CB 4.41Å; V33-V70 HydrophobicContact CG1-CG1 4.25Å; V33-V70 HydrophobicContact CG1-CG2 3.87Å; V33-Y71 VanDerWaalsContact O-CD2 3.32Å; V33-Y71 WeakPolarHBondContact O-CD2 3.33Å; V33-Y71 PolarHBondContact O-N 2.89Å; V33-V139 WeakPolarHBondContact CA-O 3.43Å; V33-V139 HydrophobicContact CG1-CB 4.18Å; V33-V139 HydrophobicContact CG1-CG1 4.4Å; V33-V139 WeakPolarHBondContact CG1-O 3.44Å; V33-V139 HydrophobicContact CG2-CB 4.36Å
34R84Confident79.5Confident22 Ų2261.7 Ų61.78%0.08330%0.301CS..EExtended strand (participates in β ladder)trans-127.7139.9-178.8-163-178.4172.5-157.4-7.6111.2Y32 Y71 T73 D78 T80 L81 V139 I140 S141Y32-R34 HydrophobicContact CE1-CB 3.74Å; Y32-R34 HydrophobicContact CE1-CG 4.4Å; R34-Y71 CarbonylContact C-O 3.56Å; R34-Y71 VanDerWaalsContact CA-O 3.32Å; R34-Y71 WeakPolarHBondContact CA-O 3.22Å; R34-T73 PolarHBondContact NH2-OG1 3.36Å; R34-T73 VanDerWaalsContact NH2-OG1 3.15Å; R34-D78 IonicContact NH2-OD1 3.79Å; R34-T80 PolarHBondContact NH1-OG1 2.99Å; R34-T80 PolarHBondContact NH2-OG1 2.96Å; R34-L81 HydrophobicContact CB-CD1 4.32Å; R34-L81 HydrophobicContact CG-CD1 3.75Å; R34-V139 PolarHBondContact N-O 3.35Å; R34-I140 CarbonylContact O-C 3.6Å; R34-I140 VanDerWaalsContact O-CA 3.29Å; R34-I140 WeakPolarHBondContact O-CA 3.38Å; R34-S141 PolarHBondContact O-N 3.33Å
35S84.9Confident80.5Confident0 Ų055.7 Ų55.70%026%0.264CS..EExtended strand (participates in β ladder)trans-131.9152.8176.8-166.30000110.9T41 I42 Y71 S72 S141S35-T41 WeakPolarHBondContact OG-CB 3.37Å; S35-T41 PolarHBondContact OG-O 3.19Å; S35-T41 VanDerWaalsContact OG-O 3.12Å; S35-T41 PolarHBondContact OG-OG1 2.96Å; S35-I42 PolarHBondContact OG-N 2.74Å; S35-I42 VanDerWaalsContact OG-N 3.16Å; S35-Y71 PolarHBondContact N-O 3.48Å; S35-S72 WeakPolarHBondContact O-CA 3.46Å; S35-S141 WeakPolarHBondContact CA-O 3.35Å; S35-S141 PolarHBondContact OG-O 3.42Å
36S80.7Confident81.4Confident0 Ų052.3 Ų52.30%025%0.246CC..EExtended strand (participates in β ladder)trans-64.3153.7162.167.80000109.9S38 T41 S141 H143S36-S38 PolarHBondContact O-N 3.38Å; S36-T41 PolarHBondContact O-OG1 3.3Å; S36-T41 WeakPolarHBondContact OG-CG2 3.29Å; S36-T41 PolarHBondContact OG-OG1 3.29Å; S36-S141 PolarHBondContact N-O 3.01Å; S36-H143 PolarHBondContact OG-CE1 2.87Å; S36-H143 VanDerWaalsContact OG-CE1 3.28Å; S36-H143 PolarHBondContact OG-NE2 3.15Å
37D82.9Confident82.2Confident61 Ų6149.6 Ų49.633%0.32624%0.236SC..SBendtrans-78.260.6-177.8-170.840.7000112.1S72 T73 P74 L75D37-S72 PolarHBondContact OD1-OG 3.06Å; D37-T73 VanDerWaalsContact CB-O 3.23Å; D37-T73 WeakPolarHBondContact CB-O 3.5Å; D37-P74 WeakPolarHBondContact OD2-CA 3.37Å; D37-L75 HydrophobicContact CB-CD2 4.22Å; D37-L75 HydrophobicContact CB-CG 4.1Å; D37-L75 WeakPolarHBondContact O-CG 3.44Å
38S82.7Confident83.1Confident14 Ų1448.6 Ų48.610%0.09823%0.229CC..SBendtrans-130.2139.6173.387.90000110.1S36 R40 T41 I42S36-S38 PolarHBondContact O-N 3.38Å; S38-R40 PolarHBondContact O-N 2.91Å; S38-R40 VanDerWaalsContact O-N 3.11Å; S38-R40 WeakPolarHBondContact OG-CG 3.3Å; S38-T41 PolarHBondContact O-N 2.95Å; S38-T41 VanDerWaalsContact O-N 3.1Å; S38-T41 PolarHBondContact O-OG1 3.17Å; S38-T41 WeakPolarHBondContact OG-CG2 3.47Å; S38-T41 PolarHBondContact OG-N 3.5Å; S38-T41 PolarHBondContact OG-OG1 2.78Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.03Å
39N86.5Confident83.8Confident140 Ų14041.6 Ų41.675%0.74920%0.199SC*.Hα-helixtrans-54.5-38.4-177.7-68.8-5.6000112.4M43N39-M43 VanDerWaalsContact O-CB 3.23Å; N39-M43 WeakPolarHBondContact O-CB 3.28Å; N39-M43 WeakPolarHBondContact O-CG 3.18Å; N39-M43 PolarHBondContact O-N 3.41Å
40R86.8Confident84.5Confident162 Ų16232.8 Ų32.861%0.61116%0.161SC*.Hα-helixtrans-65.5-39.4-179.168.2179.6-179.7-78.73.9113S38 S44 H143S38-R40 PolarHBondContact O-N 2.91Å; S38-R40 VanDerWaalsContact O-N 3.11Å; S38-R40 WeakPolarHBondContact OG-CG 3.3Å; R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 2.94Å; R40-S44 PolarHBondContact O-OG 3.2Å; R40-H143 VanDerWaalsContact CZ-CE1 3.47Å; R40-H143 PolarHBondContact NH2-CE1 2.81Å; R40-H143 PolarHBondContact NH2-ND1 2.98Å
41T86.6Confident85.4Confident5 Ų531 Ų313%0.03115%0.15CC..Hα-helixtrans-79.9-39-178.149.10000110.7S35 S36 S38 S44 G45 S141 H143S35-T41 WeakPolarHBondContact OG-CB 3.37Å; S35-T41 PolarHBondContact OG-O 3.19Å; S35-T41 VanDerWaalsContact OG-O 3.12Å; S35-T41 PolarHBondContact OG-OG1 2.96Å; S36-T41 PolarHBondContact O-OG1 3.3Å; S36-T41 WeakPolarHBondContact OG-CG2 3.29Å; S36-T41 PolarHBondContact OG-OG1 3.29Å; S38-T41 PolarHBondContact O-N 2.95Å; S38-T41 VanDerWaalsContact O-N 3.1Å; S38-T41 PolarHBondContact O-OG1 3.17Å; S38-T41 WeakPolarHBondContact OG-CG2 3.47Å; S38-T41 PolarHBondContact OG-N 3.5Å; S38-T41 PolarHBondContact OG-OG1 2.78Å; T41-S44 WeakPolarHBondContact O-CB 3.49Å; T41-S44 PolarHBondContact O-N 3.43Å; T41-G45 PolarHBondContact O-N 2.97Å; T41-S141 PolarHBondContact O-OG 3.48Å; T41-S141 VanDerWaalsContact O-OG 3.1Å; T41-H143 VanDerWaalsContact CG2-CE1 3.46Å; T41-H143 WeakPolarHBondContact CG2-CE1 3.47Å
42I87.6Confident86Confident42 Ų4230.9 Ų30.922%0.21515%0.149CC..Hα-helixtrans-60.3-49.6174.3-67.2166.8000109.7S35 S38 S44 G45 L46S35-I42 PolarHBondContact OG-N 2.74Å; S35-I42 VanDerWaalsContact OG-N 3.16Å; S38-I42 WeakPolarHBondContact O-CG1 3.37Å; S38-I42 PolarHBondContact O-N 3.03Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.47Å; I42-G45 PolarHBondContact O-N 3.11Å; I42-L46 HydrophobicContact CG2-CD1 4.08Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CG 2.98Å; I42-L46 PolarHBondContact O-N 2.94Å
43M88.2Confident86Confident57 Ų5729.7 Ų29.728%0.28115%0.153SC..Hα-helixtrans-60.9-37176.4-75.1-58-6500112.9I5 N39 L46 A47 F62I5-M43 HydrophobicContact CD1-CE 4.22Å; N39-M43 VanDerWaalsContact O-CB 3.23Å; N39-M43 WeakPolarHBondContact O-CB 3.28Å; N39-M43 WeakPolarHBondContact O-CG 3.18Å; N39-M43 PolarHBondContact O-N 3.41Å; M43-L46 HydrophobicContact SD-CD1 4.15Å; M43-A47 WeakPolarHBondContact O-CB 3.47Å; M43-A47 PolarHBondContact O-N 2.76Å; M43-F62 HydrophobicContact CE-CE1 4.45Å; M43-F62 HydrophobicContact CE-CE2 4.23Å; M43-F62 HydrophobicContact CE-CZ 3.53Å; M43-F62 HydrophobicContact SD-CE1 4.35Å; M43-F62 HydrophobicContact SD-CZ 3.88Å
44S90.4Very high85.8Confident28 Ų2831.1 Ų31.120%0.19617%0.168CC..Hα-helixtrans-65.9-45.2175-63.60000111.6R40 T41 I42 L46 A47 T48R40-S44 WeakPolarHBondContact O-CB 3.45Å; R40-S44 PolarHBondContact O-N 2.94Å; R40-S44 PolarHBondContact O-OG 3.2Å; T41-S44 WeakPolarHBondContact O-CB 3.49Å; T41-S44 PolarHBondContact O-N 3.43Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.47Å; S44-L46 PolarHBondContact O-N 3.37Å; S44-A47 PolarHBondContact O-N 2.87Å; S44-T48 WeakPolarHBondContact O-CB 3.31Å; S44-T48 PolarHBondContact O-N 3.31Å; S44-T48 PolarHBondContact O-OG1 3.27Å; S44-T48 VanDerWaalsContact O-OG1 3.05Å
45G88.6Confident85.3Confident0 Ų031.7 Ų31.70%017%0.172CC..Hα-helixtrans-59.8-44.5175.500000112.2T41 I42 T48 I49T41-G45 PolarHBondContact O-N 2.97Å; I42-G45 PolarHBondContact O-N 3.11Å; G45-T48 PolarHBondContact O-N 2.99Å; G45-I49 VanDerWaalsContact O-CG1 3.31Å; G45-I49 WeakPolarHBondContact O-CG1 3.45Å; G45-I49 PolarHBondContact O-N 3.01Å
46L87.8Confident84.2Confident31 Ų3136 Ų3616%0.16220%0.195CC..Hα-helixtrans-60.1-50.2175.6-68.8169.8000111.3I42 M43 S44 T48 I49 S50 F62 V70I42-L46 HydrophobicContact CG2-CD1 4.08Å; I42-L46 HydrophobicContact CG2-CG 4.5Å; I42-L46 WeakPolarHBondContact O-CG 2.98Å; I42-L46 PolarHBondContact O-N 2.94Å; M43-L46 HydrophobicContact SD-CD1 4.15Å; S44-L46 PolarHBondContact O-N 3.37Å; L46-T48 PolarHBondContact O-N 2.85Å; L46-I49 PolarHBondContact O-N 3.26Å; L46-S50 PolarHBondContact O-N 3.16Å; L46-S50 PolarHBondContact O-OG 2.81Å; L46-S50 VanDerWaalsContact O-OG 3.11Å; L46-F62 HydrophobicContact CD1-CE1 4.46Å; L46-V70 HydrophobicContact CD2-CB 4.37Å; L46-V70 HydrophobicContact CD2-CG2 3.64Å; L46-V70 HydrophobicContact CG-CG2 4.07Å
47A88.8Confident83.1Confident3 Ų340.6 Ų40.63%0.02522%0.218CC..Hα-helixtrans-61.2-42.318000000112.8I5 Q8 C9 M43 S44 S50 G51I5-A47 HydrophobicContact CG2-CB 4.04Å; Q8-A47 HydrophobicContact CB-CB 3.75Å; C9-A47 WeakPolarHBondContact CA-O 3.28Å; M43-A47 WeakPolarHBondContact O-CB 3.47Å; M43-A47 PolarHBondContact O-N 2.76Å; S44-A47 PolarHBondContact O-N 2.87Å; A47-S50 PolarHBondContact O-N 3.04Å; A47-G51 PolarHBondContact O-N 3.24Å
48T89.8Confident81.9Confident4 Ų442.7 Ų42.73%0.02524%0.238CC..Hα-helixtrans-61.5-44.9176-640000111.5Q8 G12 L15 S44 G45 L46 G51 F52 V139Q8-T48 WeakPolarHBondContact O-CA 3.47Å; Q8-T48 PolarHBondContact O-OG1 3.01Å; Q8-T48 PolarHBondContact OE1-OG1 3.48Å; G12-T48 WeakPolarHBondContact CA-O 2.94Å; L15-T48 HydrophobicContact CD1-CG2 4.17Å; S44-T48 WeakPolarHBondContact O-CB 3.31Å; S44-T48 PolarHBondContact O-N 3.31Å; S44-T48 PolarHBondContact O-OG1 3.27Å; S44-T48 VanDerWaalsContact O-OG1 3.05Å; G45-T48 PolarHBondContact O-N 2.99Å; L46-T48 PolarHBondContact O-N 2.85Å; T48-G51 PolarHBondContact O-N 3.18Å; T48-F52 VanDerWaalsContact O-CB 3.28Å; T48-F52 WeakPolarHBondContact O-CB 3.49Å; T48-F52 PolarHBondContact O-N 3.17Å; T48-V139 HydrophobicContact CG2-CG1 4.12Å
49I86.6Confident80.7Confident3 Ų345.2 Ų45.22%0.01525%0.25CC..Hα-helixtrans-68.5-36178.9-67.4-63.9000112.1I31 V33 G45 L46 F52 A53 I68 V139I31-I49 HydrophobicContact CG2-CD1 4.23Å; V33-I49 HydrophobicContact CB-CD1 4.48Å; V33-I49 HydrophobicContact CB-CG1 4.42Å; V33-I49 HydrophobicContact CG1-CD1 4.28Å; V33-I49 HydrophobicContact CG1-CG1 3.93Å; V33-I49 HydrophobicContact CG2-CD1 3.41Å; V33-I49 VanDerWaalsContact CG2-CD1 3.41Å; V33-I49 HydrophobicContact CG2-CG1 3.72Å; G45-I49 VanDerWaalsContact O-CG1 3.31Å; G45-I49 WeakPolarHBondContact O-CG1 3.45Å; G45-I49 PolarHBondContact O-N 3.01Å; L46-I49 PolarHBondContact O-N 3.26Å; I49-F52 PolarHBondContact O-N 2.81Å; I49-A53 VanDerWaalsContact O-CB 3.29Å; I49-A53 WeakPolarHBondContact O-CB 3.49Å; I49-A53 PolarHBondContact O-N 2.8Å; I49-I68 HydrophobicContact CG2-CB 4.01Å; I49-I68 HydrophobicContact CG2-CD1 4.2Å; I49-I68 HydrophobicContact CG2-CG2 4.34Å; I49-V139 HydrophobicContact CD1-CB 4.18Å; I49-V139 HydrophobicContact CD1-CG1 4.43Å; I49-V139 HydrophobicContact CD1-CG2 4.01Å
50S85.8Confident79.5Confident4 Ų442.5 Ų42.53%0.02824%0.235CC..Hα-helixtrans-62.8-43.9173.8-62.30000111.8L46 A47 A53 G54 L55L46-S50 PolarHBondContact O-N 3.16Å; L46-S50 PolarHBondContact O-OG 2.81Å; L46-S50 VanDerWaalsContact O-OG 3.11Å; A47-S50 PolarHBondContact O-N 3.04Å; S50-A53 PolarHBondContact O-N 3.18Å; S50-G54 PolarHBondContact O-N 3.48Å; S50-L55 WeakPolarHBondContact O-CB 3.43Å; S50-L55 PolarHBondContact O-N 3.03Å
51G86.8Confident78Confident0 Ų036.4 Ų36.40%022%0.216CC..Hα-helixtrans-62.9-40.6173.100000113C9 A47 T48 G54C9-G51 WeakPolarHBondContact O-CA 3.34Å; A47-G51 PolarHBondContact O-N 3.24Å; T48-G51 PolarHBondContact O-N 3.18Å; G51-G54 PolarHBondContact O-N 3.49Å; G51-G54 VanDerWaalsContact O-N 3.13Å
52F85.6Confident76.5Confident6 Ų642.6 Ų42.63%0.02624%0.243CC..Hα-helixtrans-65-44178.6-168.9-91.3000112.3G12 L15 R16 M23 Y26 I31 T48 I49 G54G12-F52 WeakPolarHBondContact O-CA 3.08Å; G12-F52 WeakPolarHBondContact O-CD2 3.37Å; L15-F52 HydrophobicContact CB-CD2 3.65Å; L15-F52 HydrophobicContact CB-CE2 3.77Å; R16-F52 HydrophobicContact CB-CD2 4.13Å; R16-F52 HydrophobicContact CB-CE2 4.3Å; R16-F52 WeakPolarHBondContact CD-O 3.19Å; R16-F52 WeakPolarHBondContact CG-O 3.39Å; R16-F52 PolarHBondContact NH1-O 2.54Å; M23-F52 HydrophobicContact CE-CE1 4.46Å; M23-F52 HydrophobicContact CE-CE2 3.98Å; M23-F52 HydrophobicContact CE-CZ 3.42Å; M23-F52 VanDerWaalsContact CE-CZ 3.42Å; M23-F52 HydrophobicContact SD-CE1 4.14Å; M23-F52 HydrophobicContact SD-CZ 3.63Å; Y26-F52 HydrophobicContact CD1-CD1 4.22Å; Y26-F52 AromaticContact CD1-CE1 3.5Å; Y26-F52 HydrophobicContact CD1-CE1 3.5Å; Y26-F52 VanDerWaalsContact CD1-CE1 3.5Å; Y26-F52 HydrophobicContact CD1-CZ 4.35Å; Y26-F52 HydrophobicContact CE1-CD1 4.36Å; Y26-F52 AromaticContact CE1-CE1 3.51Å; Y26-F52 HydrophobicContact CE1-CE1 3.51Å; Y26-F52 AromaticContact CE1-CZ 3.97Å; Y26-F52 HydrophobicContact CE1-CZ 3.97Å; Y26-F52 HydrophobicContact CG-CE1 4.44Å; I31-F52 HydrophobicContact CD1-CD1 3.99Å; I31-F52 HydrophobicContact CD1-CE1 3.52Å; T48-F52 VanDerWaalsContact O-CB 3.28Å; T48-F52 WeakPolarHBondContact O-CB 3.49Å; T48-F52 PolarHBondContact O-N 3.17Å; I49-F52 PolarHBondContact O-N 2.81Å; F52-G54 PolarHBondContact O-N 3.29Å; F52-G54 VanDerWaalsContact O-N 3.13Å
53A81.3Confident74.8Confident40 Ų4045 Ų4533%0.33126%0.263SS..Hα-helixtrans-66.3-10.4174.500000113.2R16 I49 S50 L55R16-A53 PolarHBondContact NH1-O 3.3Å; I49-A53 VanDerWaalsContact O-CB 3.29Å; I49-A53 WeakPolarHBondContact O-CB 3.49Å; I49-A53 PolarHBondContact O-N 2.8Å; S50-A53 PolarHBondContact O-N 3.18Å; A53-L55 HydrophobicContact CB-CG 4.35Å
54G79.7Confident73Confident31 Ų3144.4 Ų44.432%0.3226%0.262SS..THydrogen-bonded Turntrans85.722176.200000113.9S50 G51 F52S50-G54 PolarHBondContact O-N 3.48Å; G51-G54 PolarHBondContact O-N 3.49Å; G51-G54 VanDerWaalsContact O-N 3.13Å; F52-G54 PolarHBondContact O-N 3.29Å; F52-G54 VanDerWaalsContact O-N 3.13Å
55L72.4Confident71.3Confident35 Ų3550.4 Ų50.418%0.18329%0.293CS..  trans-72.1136.7174.1-53.6177.6000109.1S50 A53 V64S50-L55 WeakPolarHBondContact O-CB 3.43Å; S50-L55 PolarHBondContact O-N 3.03Å; A53-L55 HydrophobicContact CB-CG 4.35Å; L55-V64 HydrophobicContact CD1-CB 3.63Å; L55-V64 HydrophobicContact CD1-CG1 3.68Å; L55-V64 HydrophobicContact CD1-CG2 3.71Å; L55-V64 HydrophobicContact CD2-CB 4.34Å; L55-V64 HydrophobicContact CD2-CG1 3.61Å; L55-V64 HydrophobicContact CD2-CG2 4.18Å; L55-V64 HydrophobicContact CG-CG1 4.29Å; L55-V64 HydrophobicContact CG-CG2 4.42Å
56N63.1Low70Confident90 Ų9053.4 Ų53.448%0.48131%0.307SS..  trans-83.3147.1173.6-74.8-42.1000108.5S58 D59N56-S58 PolarHBondContact O-N 3.4Å; N56-D59 PolarHBondContact N-OD2 3.5Å; N56-D59 WeakPolarHBondContact O-CA 3.47Å; N56-D59 VanDerWaalsContact O-CB 3.25Å; N56-D59 WeakPolarHBondContact O-CB 3.23Å; N56-D59 PolarHBondContact O-N 3.42Å
57M56.9Low69Low97 Ų9756.3 Ų56.348%0.47833%0.326SS..THydrogen-bonded Turntrans-64.3-12.7-177.3-57.9-160.1-29.400114Q6 C9 D59Q6-M57 HydrophobicContact CB-SD 4.15Å; Q6-M57 HydrophobicContact CG-CE 3.73Å; Q6-M57 HydrophobicContact CG-SD 3.72Å; C9-M57 HydrophobicContact CB-SD 4.46Å; M57-D59 VanDerWaalsContact C-N 3.28Å
58S57.8Low68.4Low105 Ų10556.3 Ų56.373%0.73433%0.325SS*.THydrogen-bonded Turntrans-72.4-24.9170.753.40000112.7N56 D60N56-S58 PolarHBondContact O-N 3.4Å; S58-D60 PolarHBondContact O-N 3.38Å
59D57.5Low68.1Low67 Ų6758.4 Ų58.436%0.35834%0.339SS..SBendtrans-74.3121.3171.8-50.1-34.3000105.2N56 M57 V61 V64N56-D59 PolarHBondContact N-OD2 3.5Å; N56-D59 WeakPolarHBondContact O-CA 3.47Å; N56-D59 VanDerWaalsContact O-CB 3.25Å; N56-D59 WeakPolarHBondContact O-CB 3.23Å; N56-D59 PolarHBondContact O-N 3.42Å; M57-D59 VanDerWaalsContact C-N 3.28Å; D59-V61 PolarHBondContact O-N 2.81Å; D59-V64 HydrophobicContact CB-CG2 4.02Å
60D60.3Low68Low82 Ų8259.8 Ų59.844%0.43935%0.348SS..  trans-52.9116.5175162.827.2000107.1S58 F62 S63S58-D60 PolarHBondContact O-N 3.38Å; D60-F62 PolarHBondContact O-N 2.92Å; D60-F62 PolarHBondContact OD1-N 2.89Å; D60-F62 VanDerWaalsContact OD1-N 3.08Å; D60-S63 WeakPolarHBondContact CB-OG 3.42Å; D60-S63 VanDerWaalsContact CG-OG 3.27Å; D60-S63 WeakPolarHBondContact O-CA 3.37Å; D60-S63 WeakPolarHBondContact O-CB 3.31Å; D60-S63 PolarHBondContact O-N 3.08Å; D60-S63 WeakPolarHBondContact OD2-CB 3.5Å; D60-S63 PolarHBondContact OD2-N 2.85Å; D60-S63 PolarHBondContact OD2-OG 2.79Å
61V55.8Low68Low34 Ų3465 Ų6521%0.20637%0.367CS..THydrogen-bonded Turntrans-53.5-23.8-174.3175.80000110.4D59D59-V61 PolarHBondContact O-N 2.81Å
62F55.4Low67.9Low136 Ų13667.7 Ų67.760%0.59639%0.386SS*.THydrogen-bonded Turntrans-97.8-13.2176.6-59-76.5000115.2M43 L46 D60M43-F62 HydrophobicContact CE-CE1 4.45Å; M43-F62 HydrophobicContact CE-CE2 4.23Å; M43-F62 HydrophobicContact CE-CZ 3.53Å; M43-F62 HydrophobicContact SD-CE1 4.35Å; M43-F62 HydrophobicContact SD-CZ 3.88Å; L46-F62 HydrophobicContact CD1-CE1 4.46Å; D60-F62 PolarHBondContact O-N 2.92Å; D60-F62 PolarHBondContact OD1-N 2.89Å; D60-F62 VanDerWaalsContact OD1-N 3.08Å
63S51.6Low67.4Low91 Ų9169.2 Ų69.264%0.63640%0.396SS*.THydrogen-bonded Turntrans-83.7-9.7178.7-79.30000113.9D60D60-S63 WeakPolarHBondContact CB-OG 3.42Å; D60-S63 VanDerWaalsContact CG-OG 3.27Å; D60-S63 WeakPolarHBondContact O-CA 3.37Å; D60-S63 WeakPolarHBondContact O-CB 3.31Å; D60-S63 PolarHBondContact O-N 3.08Å; D60-S63 WeakPolarHBondContact OD2-CB 3.5Å; D60-S63 PolarHBondContact OD2-N 2.85Å; D60-S63 PolarHBondContact OD2-OG 2.79Å
64V51.7Low67.2Low45 Ų4570.9 Ų70.927%0.27340%0.403SS..SBendtrans-94.2136.3-177.7-162.20000109.6L55 D59 Q66L55-V64 HydrophobicContact CD1-CB 3.63Å; L55-V64 HydrophobicContact CD1-CG1 3.68Å; L55-V64 HydrophobicContact CD1-CG2 3.71Å; L55-V64 HydrophobicContact CD2-CB 4.34Å; L55-V64 HydrophobicContact CD2-CG1 3.61Å; L55-V64 HydrophobicContact CD2-CG2 4.18Å; L55-V64 HydrophobicContact CG-CG1 4.29Å; L55-V64 HydrophobicContact CG-CG2 4.42Å; D59-V64 HydrophobicContact CB-CG2 4.02Å; V64-Q66 PolarHBondContact O-N 3.34Å
65N54.4Low66.6Low155 Ų15571.9 Ų71.983%0.82940%0.401SS*.  trans-50.280.3166.7-90.4-21.6000110.4T67N65-T67 VanDerWaalsContact C-N 3.28Å; N65-T67 PolarHBondContact O-N 3.48Å
66Q59.9Low66.2Low63 Ų6376.8 Ų76.829%0.29442%0.423SS..  trans-73.391.5178-173.4160.67.400107V64 I68V64-Q66 PolarHBondContact O-N 3.34Å; Q66-I68 PolarHBondContact O-N 3.05Å
67T66.9Low66.4Low91 Ų9176.3 Ų76.356%0.55843%0.427SS*.  trans-72.6-13.1-17652.80000112.8N65N65-T67 VanDerWaalsContact C-N 3.28Å; N65-T67 PolarHBondContact O-N 3.48Å
68I77.2Confident66.9Low3 Ų371.9 Ų71.92%0.01541%0.405CS..SBendtrans-107.5107.4-177.9-55.9169000108.6I31 V33 I49 Q66I31-I68 HydrophobicContact CB-CD1 4.08Å; I31-I68 HydrophobicContact CB-CG2 4.21Å; I31-I68 HydrophobicContact CD1-CD1 3.69Å; I31-I68 HydrophobicContact CG1-CD1 4.47Å; I31-I68 HydrophobicContact CG2-CD1 4.31Å; I31-I68 HydrophobicContact CG2-CG2 3.93Å; V33-I68 HydrophobicContact CG2-CG2 3.44Å; V33-I68 VanDerWaalsContact CG2-CG2 3.44Å; I49-I68 HydrophobicContact CG2-CB 4.01Å; I49-I68 HydrophobicContact CG2-CD1 4.2Å; I49-I68 HydrophobicContact CG2-CG2 4.34Å; Q66-I68 PolarHBondContact O-N 3.05Å
69P82.4Confident67.2Low48 Ų4875.1 Ų75.131%0.31240%0.401SS..  trans-72.1147.8179.929.5-34.2000111.9Y71P69-Y71 HydrophobicContact CB-CE2 4.28Å; P69-Y71 HydrophobicContact CG-CE1 4.37Å; P69-Y71 HydrophobicContact CG-CE2 3.63Å; P69-Y71 VanDerWaalsContact CG-OH 3.32Å; P69-Y71 WeakPolarHBondContact CG-OH 3.43Å
70V84.7Confident67.5Low33 Ų3372.9 Ų72.920%0.239%0.39CS..EExtended strand (participates in β ladder)trans-98.5113.3167.8-178.70000108.4V33 L46V33-V70 HydrophobicContact CB-CG2 4.36Å; V33-V70 HydrophobicContact CG1-CB 4.41Å; V33-V70 HydrophobicContact CG1-CG1 4.25Å; V33-V70 HydrophobicContact CG1-CG2 3.87Å; L46-V70 HydrophobicContact CD2-CB 4.37Å; L46-V70 HydrophobicContact CD2-CG2 3.64Å; L46-V70 HydrophobicContact CG-CG2 4.07Å
71Y85.9Confident67.7Low114 Ų11469.6 Ų69.645%0.44737%0.372SS..EExtended strand (participates in β ladder)trans-85.5142.9177.2-61.1-80.2000110.7Y32 V33 R34 S35 P69Y32-Y71 AromaticContact CD2-CD2 3.78Å; Y32-Y71 HydrophobicContact CD2-CD2 3.78Å; Y32-Y71 AromaticContact CD2-CE2 3.8Å; Y32-Y71 HydrophobicContact CD2-CE2 3.8Å; Y32-Y71 AromaticContact CE2-CD2 3.27Å; Y32-Y71 HydrophobicContact CE2-CD2 3.27Å; Y32-Y71 AromaticContact CE2-CE2 3.62Å; Y32-Y71 HydrophobicContact CE2-CE2 3.62Å; Y32-Y71 HydrophobicContact CE2-CG 4.02Å; V33-Y71 VanDerWaalsContact O-CD2 3.32Å; V33-Y71 WeakPolarHBondContact O-CD2 3.33Å; V33-Y71 PolarHBondContact O-N 2.89Å; R34-Y71 CarbonylContact C-O 3.56Å; R34-Y71 VanDerWaalsContact CA-O 3.32Å; R34-Y71 WeakPolarHBondContact CA-O 3.22Å; S35-Y71 PolarHBondContact N-O 3.48Å; P69-Y71 HydrophobicContact CB-CE2 4.28Å; P69-Y71 HydrophobicContact CG-CE1 4.37Å; P69-Y71 HydrophobicContact CG-CE2 3.63Å; P69-Y71 VanDerWaalsContact CG-OH 3.32Å; P69-Y71 WeakPolarHBondContact CG-OH 3.43Å
72S84.8Confident68Low55 Ų5568.1 Ų68.139%0.38536%0.363SS..EExtended strand (participates in β ladder)trans-128.8157.3168.368.50000111S35 D37S35-S72 WeakPolarHBondContact O-CA 3.46Å; D37-S72 PolarHBondContact OD1-OG 3.06Å
73T76.8Confident68.2Low38 Ų3862.1 Ų62.123%0.23334%0.337CS..EExtended strand (participates in β ladder)trans-114129.2168.9-54.20000107.1R34 D37 L75 D78R34-T73 PolarHBondContact NH2-OG1 3.36Å; R34-T73 VanDerWaalsContact NH2-OG1 3.15Å; D37-T73 VanDerWaalsContact CB-O 3.23Å; D37-T73 WeakPolarHBondContact CB-O 3.5Å; T73-L75 PolarHBondContact O-N 3.21Å; T73-D78 HydrophobicContact CG2-CB 4.35Å
74P76.4Confident68.1Low75 Ų7558.8 Ų58.849%0.48731%0.313SS..  trans-48.5136.5178.1-28.734.9000111.2D37 E76 S77 D78D37-P74 WeakPolarHBondContact OD2-CA 3.37Å; P74-E76 PolarHBondContact O-N 2.91Å; P74-S77 PolarHBondContact O-N 2.99Å; P74-D78 PolarHBondContact O-N 2.84Å; P74-D78 VanDerWaalsContact O-N 3.09Å
75L67.6Low68Low52 Ų5261.1 Ų61.127%0.27232%0.318SS..THydrogen-bonded Turntrans-48.8-32.6-173.5-67.1174.9000113.1D37 T73 S77 D82D37-L75 HydrophobicContact CB-CD2 4.22Å; D37-L75 HydrophobicContact CB-CG 4.1Å; D37-L75 WeakPolarHBondContact O-CG 3.44Å; T73-L75 PolarHBondContact O-N 3.21Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 2.82Å; L75-D82 WeakPolarHBondContact CD2-OD2 3.23Å
76E63.5Low67.8Low138 Ų13854.4 Ų54.465%0.64528%0.284SS*.THydrogen-bonded Turntrans-68.4-25.3-179.1-58.4-158.5146.200114.7P74 R93P74-E76 PolarHBondContact O-N 2.91Å; E76-R93 VanDerWaalsContact C-NH2 3.27Å; E76-R93 PolarHBondContact O-NH2 3.42Å; E76-R93 IonicContact OE1-NH1 3.03Å
77S67.7Low67.7Low80 Ų8052.7 Ų52.756%0.55928%0.277SS*.THydrogen-bonded Turntrans-111.2-7.5-176.3-60.50000112.5P74 L75 R79P74-S77 PolarHBondContact O-N 2.99Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 2.82Å; S77-R79 PolarHBondContact O-N 3.19Å
78D66.1Low67Low4 Ų448.7 Ų48.72%0.02125%0.252CS..  trans-74.6107.1178.8-164.2-18.6000110.8R34 T73 P74 T80 L81R34-D78 IonicContact NH2-OD1 3.79Å; T73-D78 HydrophobicContact CG2-CB 4.35Å; P74-D78 PolarHBondContact O-N 2.84Å; P74-D78 VanDerWaalsContact O-N 3.09Å; D78-T80 WeakPolarHBondContact OD1-CA 3.34Å; D78-T80 PolarHBondContact OD1-N 2.82Å; D78-T80 PolarHBondContact OD1-OG1 2.9Å; D78-L81 PolarHBondContact OD1-N 2.99Å; D78-L81 WeakPolarHBondContact OD2-CB 3.48Å
79R64Low65.8Low174 Ų17450.8 Ų50.866%0.65727%0.266SS*.SBendtrans-98.47.4177.6-61.2-176.7-179.1-177.9-0.1112.9S77S77-R79 PolarHBondContact O-N 3.19Å
80T64.7Low64.1Low20 Ų2052.1 Ų52.112%0.12328%0.275CS..SBendtrans-129.3-55.5-163.743.20000113.2R34 D78R34-T80 PolarHBondContact NH1-OG1 2.99Å; R34-T80 PolarHBondContact NH2-OG1 2.96Å; D78-T80 WeakPolarHBondContact OD1-CA 3.34Å; D78-T80 PolarHBondContact OD1-N 2.82Å; D78-T80 PolarHBondContact OD1-OG1 2.9Å
81L64.3Low62.6Low12 Ų1255 Ų556%0.06329%0.294CS..SBendtrans-94.7-28.2-170.2-56.7-174000112.8R34 D78 V83 I140 T146R34-L81 HydrophobicContact CB-CD1 4.32Å; R34-L81 HydrophobicContact CG-CD1 3.75Å; D78-L81 PolarHBondContact OD1-N 2.99Å; D78-L81 WeakPolarHBondContact OD2-CB 3.48Å; L81-V83 PolarHBondContact O-N 3.31Å; L81-I140 HydrophobicContact CD1-CG2 3.72Å; L81-I140 HydrophobicContact CD2-CG2 3.28Å; L81-I140 HydrophobicContact CG-CG2 4.14Å; L81-T146 PolarHBondContact O-OG1 3.25Å
82D62.9Low61Low4 Ų452 Ų522%0.02128%0.282CS..  trans-99.580.1176.4-159.8-23.6000111.8L75 T84 Y85 A86 H143L75-D82 WeakPolarHBondContact CD2-OD2 3.23Å; D82-T84 PolarHBondContact O-N 3.14Å; D82-T84 WeakPolarHBondContact OD1-CB 3.33Å; D82-T84 PolarHBondContact OD1-N 3.47Å; D82-T84 PolarHBondContact OD1-OG1 2.87Å; D82-Y85 HydrophobicContact CB-CD2 4.44Å; D82-Y85 CarbonylContact O-C 2.91Å; D82-Y85 PolarHBondContact O-N 3.23Å; D82-Y85 WeakPolarHBondContact OD1-CD2 3.18Å; D82-Y85 PolarHBondContact OD1-N 2.84Å; D82-Y85 WeakPolarHBondContact OD2-CD2 3.34Å; D82-Y85 WeakPolarHBondContact OD2-CE2 3.47Å; D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 3.3Å; D82-H143 IonicContact OD1-CD2 3.85Å; D82-H143 IonicContact OD2-NE2 2.76Å
83V58.6Low59.6Low9 Ų952.1 Ų52.16%0.05527%0.274CS..THydrogen-bonded Turntrans-61.8-13.5177.3-60.30000113.5L81 N87 R125 L127 M145 T146L81-V83 PolarHBondContact O-N 3.31Å; V83-N87 VanDerWaalsContact O-CG 3.32Å; V83-N87 PolarHBondContact O-ND2 2.8Å; V83-N87 PolarHBondContact O-OD1 2.83Å; V83-N87 VanDerWaalsContact O-OD1 3.08Å; V83-R125 PolarHBondContact O-NH1 3.19Å; V83-L127 HydrophobicContact CG1-CD1 4.21Å; V83-M145 HydrophobicContact CG2-CB 3.56Å; V83-T146 HydrophobicContact CG1-CG2 4.01Å
84T50.7Low58.4Low21 Ų2151.3 Ų51.313%0.12927%0.27CS..THydrogen-bonded Turntrans-78-31.5175.569.70000111.4D82 N87 I96 M145D82-T84 PolarHBondContact O-N 3.14Å; D82-T84 WeakPolarHBondContact OD1-CB 3.33Å; D82-T84 PolarHBondContact OD1-N 3.47Å; D82-T84 PolarHBondContact OD1-OG1 2.87Å; T84-N87 PolarHBondContact O-ND2 2.71Å; T84-I96 HydrophobicContact CG2-CG2 3.8Å; T84-M145 HydrophobicContact CG2-CB 4.41Å; T84-M145 HydrophobicContact CG2-CG 4.3Å
85Y47.7Very low56.9Low95 Ų9552.5 Ų52.537%0.37327%0.267SS..THydrogen-bonded Turntrans-105.1-18.9178-64.2-97.5000114.1D82 N87D82-Y85 HydrophobicContact CB-CD2 4.44Å; D82-Y85 CarbonylContact O-C 2.91Å; D82-Y85 PolarHBondContact O-N 3.23Å; D82-Y85 WeakPolarHBondContact OD1-CD2 3.18Å; D82-Y85 PolarHBondContact OD1-N 2.84Å; D82-Y85 WeakPolarHBondContact OD2-CD2 3.34Å; D82-Y85 WeakPolarHBondContact OD2-CE2 3.47Å; Y85-N87 PolarHBondContact O-N 2.87Å
86A52.1Low56Low13 Ų1351.4 Ų51.411%0.10726%0.261CS..THydrogen-bonded Turntrans-64.4-0.3-178.500000114.2D82 I223D82-A86 WeakPolarHBondContact O-CB 3.28Å; D82-A86 PolarHBondContact O-N 3.3Å; A86-I223 WeakPolarHBondContact O-CD1 3.14Å
87N56.2Low55.1Low28 Ų2846.4 Ų46.415%0.1524%0.242CC..THydrogen-bonded Turntrans-81.6-31.1-161.3-59.6-41.4000113.3V83 T84 Y85 I96 R125 C227V83-N87 VanDerWaalsContact O-CG 3.32Å; V83-N87 PolarHBondContact O-ND2 2.8Å; V83-N87 PolarHBondContact O-OD1 2.83Å; V83-N87 VanDerWaalsContact O-OD1 3.08Å; T84-N87 PolarHBondContact O-ND2 2.71Å; Y85-N87 PolarHBondContact O-N 2.87Å; N87-I96 WeakPolarHBondContact ND2-CD1 3.39Å; N87-R125 VanDerWaalsContact CG-NH1 3.29Å; N87-R125 PolarHBondContact ND2-NH1 3.03Å; N87-R125 PolarHBondContact ND2-NH2 2.03Å; N87-R125 PolarHBondContact OD1-NE 3.46Å; N87-R125 PolarHBondContact OD1-NH1 3.45Å; N87-R125 PolarHBondContact OD1-NH2 2.83Å; N87-C227 PolarHBondContact O-SG 3.16Å
88C52.3Low54.3Low7 Ų747.8 Ų47.85%0.04724%0.239CC..SBendtrans-159.6143.2169.3-63.90000109.6Y92 C227C88-Y92 HydrophobicContact CB-CD2 3.96Å; C88-Y92 HydrophobicContact CB-CG 3.94Å; C88-Y92 WeakPolarHBondContact CB-O 3.4Å; C88-C227 WeakPolarHBondContact CA-SG 3.26Å; C88-C227 HydrophobicContact CB-CB 3.76Å; C88-C227 WeakPolarHBondContact CB-SG 3.47Å; C88-C227 WeakPolarHBondContact SG-CA 3.32Å; C88-C227 WeakPolarHBondContact SG-CB 3.32Å; C88-C227 CovalentContact SG-SG 2.01Å; C88-C227 PolarHBondContact SG-SG 3.34Å
89P52.5Low53.3Low47 Ų4749.1 Ų49.131%0.30525%0.248SC..SBendtrans-60.1161.9173.126.5-33.3000110.9Y92P89-Y92 HydrophobicContact CG-CD2 4.39Å; P89-Y92 WeakPolarHBondContact O-CB 3.14Å; P89-Y92 WeakPolarHBondContact O-CD2 3.24Å; P89-Y92 PolarHBondContact O-N 3.05Å
90P47Very low52.2Low76 Ų7642 Ų4249%0.49423%0.227SC..THydrogen-bonded Turntrans-46.1136168.9-27.435.5000111.1
91P52.8Low51.3Low93 Ų9345.8 Ų45.860%0.60424%0.241SC*.THydrogen-bonded Turncis-91.510.29.235.1-35.5000116.5R93P91-R93 PolarHBondContact O-N 2.69Å
92Y51.8Low50.4Low51 Ų5148 Ų4820%0.226%0.258CS..  trans-9232-157.9-53.1-59.8000116.4C88 P89 C227 F237C88-Y92 HydrophobicContact CB-CD2 3.96Å; C88-Y92 HydrophobicContact CB-CG 3.94Å; C88-Y92 WeakPolarHBondContact CB-O 3.4Å; P89-Y92 HydrophobicContact CG-CD2 4.39Å; P89-Y92 WeakPolarHBondContact O-CB 3.14Å; P89-Y92 WeakPolarHBondContact O-CD2 3.24Å; P89-Y92 PolarHBondContact O-N 3.05Å; Y92-C227 HydrophobicContact CD2-CB 4.43Å; Y92-F237 VanDerWaalsContact CB-CZ 3.48Å; Y92-F237 AromaticContact CD1-CD2 3.94Å; Y92-F237 HydrophobicContact CD1-CD2 3.94Å; Y92-F237 AromaticContact CD1-CE2 3.35Å; Y92-F237 HydrophobicContact CD1-CE2 3.35Å; Y92-F237 AromaticContact CD1-CZ 3.77Å; Y92-F237 HydrophobicContact CD1-CZ 3.77Å; Y92-F237 HydrophobicContact CE1-CE2 4.31Å; Y92-F237 HydrophobicContact CG-CE2 4.05Å; Y92-F237 HydrophobicContact CG-CZ 4.03Å; Y92-F237 WeakPolarHBondContact O-CD1 3.48Å; Y92-F237 WeakPolarHBondContact O-CE1 3.22Å
93R56Low49.4Very low57 Ų5749.3 Ų49.322%0.21527%0.266CS..  trans-86.8-26-165.1-71.6-178.2176.4153.74.4122.3E76 P91 F95E76-R93 VanDerWaalsContact C-NH2 3.27Å; E76-R93 PolarHBondContact O-NH2 3.42Å; E76-R93 IonicContact OE1-NH1 3.03Å; P91-R93 PolarHBondContact O-N 2.69Å; R93-F95 PolarHBondContact O-N 3.1Å
94P50.9Low48.4Very low21 Ų2153.3 Ų53.314%0.13629%0.294CS..THydrogen-bonded Turntrans-92.1-2.3-146.1-16.635.6000121.4F237 V238P94-F237 HydrophobicContact CG-CB 3.95Å; P94-V238 HydrophobicContact CB-CB 4.11Å; P94-V238 WeakPolarHBondContact CB-O 3.22Å; P94-V238 WeakPolarHBondContact CG-O 3.36Å
95F46.3Very low48Very low100 Ų10058.9 Ų58.944%0.43932%0.323SS..Hα-helixtrans-74-30.3-168.9-175.5-92.3000115.6R93 V99 L118 K122R93-F95 PolarHBondContact O-N 3.1Å; F95-V99 HydrophobicContact CE1-CG2 4.44Å; F95-L118 HydrophobicContact CE1-CD2 4.41Å; F95-K122 HydrophobicContact CD1-CD 4.27Å; F95-K122 HydrophobicContact CE1-CD 3.92Å
96I46.9Very low47.5Very low29 Ų2960.9 Ų60.915%0.14933%0.334CS..Hα-helixtrans-86.8-26.3-174.3-79.7162.9000113.7T84 N87 E98 V99 A100T84-I96 HydrophobicContact CG2-CG2 3.8Å; N87-I96 WeakPolarHBondContact ND2-CD1 3.39Å; I96-E98 PolarHBondContact O-N 3.1Å; I96-V99 PolarHBondContact O-N 3.15Å; I96-A100 WeakPolarHBondContact O-CB 3.43Å; I96-A100 PolarHBondContact O-N 2.98Å
97S46.7Very low46.6Very low33 Ų3364.9 Ų64.923%0.23136%0.361CS..Hα-helixtrans-59.6-33.9179.681.10000112K101S97-K101 WeakPolarHBondContact O-CB 3.33Å; S97-K101 WeakPolarHBondContact O-CG 3.24Å; S97-K101 PolarHBondContact O-N 2.97Å
98E48.9Very low45.6Very low109 Ų10967.7 Ų67.751%0.50939%0.388SS..Hα-helixtrans-72.8-40-180-165.6168.1-169.100112I96 S102I96-E98 PolarHBondContact O-N 3.1Å; E98-S102 WeakPolarHBondContact O-CB 3.3Å; E98-S102 PolarHBondContact O-N 3.11Å
99V45.9Very low44.9Very low32 Ų3272.2 Ų72.219%0.19442%0.42CS..Hα-helixtrans-65.5-45.3174.2-179.10000110.6F95 I96 S102 T103 L115F95-V99 HydrophobicContact CE1-CG2 4.44Å; I96-V99 PolarHBondContact O-N 3.15Å; V99-S102 PolarHBondContact O-N 3Å; V99-S102 PolarHBondContact O-OG 3.16Å; V99-T103 PolarHBondContact O-N 3.12Å; V99-T103 PolarHBondContact O-OG1 3.42Å; V99-L115 HydrophobicContact CG1-CD1 3.63Å
100A40.4Very low44.2Very low26 Ų2677.5 Ų77.522%0.21544%0.441CS..Hα-helixtrans-65.3-40.1179.400000112.9I96 S102 T103 S104I96-A100 WeakPolarHBondContact O-CB 3.43Å; I96-A100 PolarHBondContact O-N 2.98Å; A100-S102 VanDerWaalsContact C-N 3.35Å; A100-T103 WeakPolarHBondContact CA-OG1 3.47Å; A100-T103 PolarHBondContact O-N 2.92Å; A100-T103 PolarHBondContact O-OG1 3.23Å; A100-S104 PolarHBondContact O-N 2.92Å; A100-S104 VanDerWaalsContact O-N 3.14Å; A100-S104 PolarHBondContact O-OG 3.02Å
101K46.9Very low44Very low98 Ų9876.4 Ų76.443%0.42643%0.433SS..Hα-helixtrans-61.5-42.1172.5-76.2171.2-176.5179.50111.7S97 T103 S104 D105S97-K101 WeakPolarHBondContact O-CB 3.33Å; S97-K101 WeakPolarHBondContact O-CG 3.24Å; S97-K101 PolarHBondContact O-N 2.97Å; K101-T103 PolarHBondContact O-N 3.2Å; K101-S104 PolarHBondContact O-N 2.79Å; K101-S104 PolarHBondContact O-OG 2.99Å; K101-D105 PolarHBondContact O-N 3.13Å
102S44.8Very low43.5Very low60 Ų6075.5 Ų75.542%0.4242%0.422SS..Hα-helixtrans-65.7-22.5179.779.20000114E98 V99 A100E98-S102 WeakPolarHBondContact O-CB 3.3Å; E98-S102 PolarHBondContact O-N 3.11Å; V99-S102 PolarHBondContact O-N 3Å; V99-S102 PolarHBondContact O-OG 3.16Å; A100-S102 VanDerWaalsContact C-N 3.35Å
103T41.2Very low43.2Very low31 Ų3177.2 Ų77.219%0.1944%0.44CS..Hα-helixtrans-91.1-30.3178.946.80000112.8V99 A100 K101 D105 K106 L115V99-T103 PolarHBondContact O-N 3.12Å; V99-T103 PolarHBondContact O-OG1 3.42Å; A100-T103 WeakPolarHBondContact CA-OG1 3.47Å; A100-T103 PolarHBondContact O-N 2.92Å; A100-T103 PolarHBondContact O-OG1 3.23Å; K101-T103 PolarHBondContact O-N 3.2Å; T103-D105 VanDerWaalsContact C-N 3.25Å; T103-D105 PolarHBondContact O-N 3.49Å; T103-K106 PolarHBondContact O-N 2.54Å; T103-L115 HydrophobicContact CG2-CD2 3.82Å
104S38.8Very low42.6Very low92 Ų9281.2 Ų81.264%0.64346%0.459SS*.Hα-helixtrans-66.8-27173.351.90000113.2A100 K101 K106A100-S104 PolarHBondContact O-N 2.92Å; A100-S104 VanDerWaalsContact O-N 3.14Å; A100-S104 PolarHBondContact O-OG 3.02Å; K101-S104 PolarHBondContact O-N 2.79Å; K101-S104 PolarHBondContact O-OG 2.99Å; S104-K106 VanDerWaalsContact C-N 3.32Å
105D43Very low42.2Very low138 Ų13880.7 Ų80.774%0.73846%0.455SS*.THydrogen-bonded Turntrans-82.2-9.7177.2-70.5-18.9000113.4K101 T103K101-D105 PolarHBondContact O-N 3.13Å; T103-D105 VanDerWaalsContact C-N 3.25Å; T103-D105 PolarHBondContact O-N 3.49Å
106K35.3Very low41.9Very low137 Ų13778.6 Ų78.660%0.59645%0.448SS*.SBendtrans-109.2111.5176.1-67-173.1-178-174.60108.7T103 S104 A108T103-K106 PolarHBondContact O-N 2.54Å; S104-K106 VanDerWaalsContact C-N 3.32Å; K106-A108 PolarHBondContact O-N 3.13Å
107S33.9Very low41.7Very low97 Ų9783.1 Ų83.168%0.67847%0.468SS*.  trans-31.2133167.5-27.60000110.7S109S107-S109 PolarHBondContact O-N 2.79Å
108A35.5Very low41.4Very low88 Ų8884 Ų8473%0.72747%0.47SS*.THydrogen-bonded Turntrans-54.916.7-172.800000117.2K106K106-A108 PolarHBondContact O-N 3.13Å
109S36.7Very low41.1Very low102 Ų10279.9 Ų79.971%0.71345%0.451SS*.THydrogen-bonded Turntrans-102.8-1.3-176.555.60000115S107S107-S109 PolarHBondContact O-N 2.79Å
110Q39.4Very low40.9Very low158 Ų15885.2 Ų85.274%0.73847%0.474SS*.  trans-139.283.3175.4-68.9-174.85.900111.2N112Q110-N112 PolarHBondContact O-N 3.4Å; Q110-N112 VanDerWaalsContact O-N 3.07Å
111V42.6Very low40.9Very low53 Ų5391.8 Ų91.832%0.32150%0.495SS..  trans-59.4115.1167.1179.20000107.6P113 L116 Y162V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 2.93Å; V111-L116 HydrophobicContact CG1-CD1 3.71Å; V111-L116 HydrophobicContact CG1-CD2 4.3Å; V111-L116 HydrophobicContact CG1-CG 3.67Å; V111-Y162 HydrophobicContact CG2-CD2 4.02Å; V111-Y162 HydrophobicContact CG2-CE2 4.21Å
112N41.5Very low40.6Very low73 Ų7390 Ų9039%0.3949%0.487SS..  trans-64.5120176.5-173.6-16.8000107.6Q110 K114 L115 L116Q110-N112 PolarHBondContact O-N 3.4Å; Q110-N112 VanDerWaalsContact O-N 3.07Å; N112-K114 PolarHBondContact O-N 3.27Å; N112-K114 VanDerWaalsContact O-N 3.07Å; N112-K114 VanDerWaalsContact OD1-CB 3.29Å; N112-K114 WeakPolarHBondContact OD1-CB 3.47Å; N112-K114 PolarHBondContact OD1-N 3.39Å; N112-L115 HydrophobicContact CB-CB 4.19Å; N112-L115 WeakPolarHBondContact O-CA 3.14Å; N112-L115 VanDerWaalsContact O-CB 3.23Å; N112-L115 WeakPolarHBondContact O-CB 3.1Å; N112-L115 PolarHBondContact O-N 3.43Å; N112-L116 PolarHBondContact O-N 3.38Å
113P46.3Very low40.6Very low87 Ų8788 Ų8857%0.56547%0.472SS*.Hα-helixtrans-58.9-24177.520.4-30.8000112V111 L115 L116 Q117V111-P113 VanDerWaalsContact O-CD 3.28Å; V111-P113 WeakPolarHBondContact O-CD 2.93Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 3.17Å; P113-L116 PolarHBondContact O-N 3.08Å; P113-Q117 WeakPolarHBondContact O-CB 3.46Å; P113-Q117 WeakPolarHBondContact O-CG 3.32Å; P113-Q117 PolarHBondContact O-N 3.29Å
114K43.3Very low40.8Very low142 Ų14294.2 Ų94.262%0.61750%0.496SS*.Hα-helixtrans-65.6-31.6168.6-72.8-179.7173.6176.80112.9N112 L118N112-K114 PolarHBondContact O-N 3.27Å; N112-K114 VanDerWaalsContact O-N 3.07Å; N112-K114 VanDerWaalsContact OD1-CB 3.29Å; N112-K114 WeakPolarHBondContact OD1-CB 3.47Å; N112-K114 PolarHBondContact OD1-N 3.39Å; K114-L118 WeakPolarHBondContact O-CA 3.14Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 VanDerWaalsContact O-CD1 3.26Å; K114-L118 WeakPolarHBondContact O-CD1 3.38Å; K114-L118 WeakPolarHBondContact O-CG 3.13Å; K114-L118 PolarHBondContact O-N 2.9Å
115L41.4Very low40.9Very low9 Ų992.3 Ų92.35%0.04748%0.475CS..Hα-helixtrans-68.3-46.8175.5179.165.4000110.3V99 T103 N112 P113 L118 L119 M145V99-L115 HydrophobicContact CG1-CD1 3.63Å; T103-L115 HydrophobicContact CG2-CD2 3.82Å; N112-L115 HydrophobicContact CB-CB 4.19Å; N112-L115 WeakPolarHBondContact O-CA 3.14Å; N112-L115 VanDerWaalsContact O-CB 3.23Å; N112-L115 WeakPolarHBondContact O-CB 3.1Å; N112-L115 PolarHBondContact O-N 3.43Å; P113-L115 VanDerWaalsContact C-N 3.31Å; P113-L115 PolarHBondContact O-N 3.17Å; L115-L118 CarbonylContact O-C 3.59Å; L115-L118 PolarHBondContact O-N 3.28Å; L115-L119 HydrophobicContact CD1-CD1 4.31Å; L115-L119 HydrophobicContact CD1-CG 4.25Å; L115-L119 HydrophobicContact CG-CD1 4.01Å; L115-L119 HydrophobicContact CG-CG 4.37Å; L115-L119 WeakPolarHBondContact O-CB 3.11Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 2.93Å; L115-M145 HydrophobicContact CD1-CE 4.17Å; L115-M145 HydrophobicContact CD2-CE 4.18Å
116L40.9Very low40.8Very low57 Ų5788.4 Ų88.430%0.29845%0.451SS..Hα-helixtrans-61-46.1174.4-71.7171.1000111.2V111 N112 P113 L118 L119 E120V111-L116 HydrophobicContact CG1-CD1 3.71Å; V111-L116 HydrophobicContact CG1-CD2 4.3Å; V111-L116 HydrophobicContact CG1-CG 3.67Å; N112-L116 PolarHBondContact O-N 3.38Å; P113-L116 PolarHBondContact O-N 3.08Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.06Å; L116-L119 PolarHBondContact O-N 3.25Å; L116-E120 WeakPolarHBondContact O-CB 3.28Å; L116-E120 VanDerWaalsContact O-CG 3.31Å; L116-E120 WeakPolarHBondContact O-CG 3.07Å; L116-E120 PolarHBondContact O-N 3.08Å
117Q42.5Very low40.8Very low123 Ų12384.6 Ų84.658%0.57544%0.437SS*.Hα-helixtrans-63.6-34.8174-74.2176.60.500113P113 Y121P113-Q117 WeakPolarHBondContact O-CB 3.46Å; P113-Q117 WeakPolarHBondContact O-CG 3.32Å; P113-Q117 PolarHBondContact O-N 3.29Å; Q117-Y121 WeakPolarHBondContact O-CA 3.45Å; Q117-Y121 WeakPolarHBondContact O-CB 3.32Å; Q117-Y121 PolarHBondContact O-N 2.98Å
118L40.5Very low40.8Very low51 Ų5181.4 Ų81.427%0.26742%0.42SS..Hα-helixtrans-70.6-37.5175.1-84.3161.1000110.8F95 K114 L115 L116 K122F95-L118 HydrophobicContact CE1-CD2 4.41Å; K114-L118 WeakPolarHBondContact O-CA 3.14Å; K114-L118 WeakPolarHBondContact O-CB 3.45Å; K114-L118 VanDerWaalsContact O-CD1 3.26Å; K114-L118 WeakPolarHBondContact O-CD1 3.38Å; K114-L118 WeakPolarHBondContact O-CG 3.13Å; K114-L118 PolarHBondContact O-N 2.9Å; L115-L118 CarbonylContact O-C 3.59Å; L115-L118 PolarHBondContact O-N 3.28Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 3.06Å; L118-K122 HydrophobicContact CD2-CD 3.64Å; L118-K122 HydrophobicContact CD2-CG 4.15Å; L118-K122 WeakPolarHBondContact O-CA 3.47Å; L118-K122 WeakPolarHBondContact O-CB 3.17Å; L118-K122 VanDerWaalsContact O-CG 3.29Å; L118-K122 WeakPolarHBondContact O-CG 3.46Å; L118-K122 PolarHBondContact O-N 3.16Å
119L42.3Very low40.6Very low23 Ų2382.3 Ų82.312%0.1242%0.421CS..Hα-helixtrans-65.6-52.1173.4-70.8170000108.7L115 L116 Y121 K122 L123 M145 L148L115-L119 HydrophobicContact CD1-CD1 4.31Å; L115-L119 HydrophobicContact CD1-CG 4.25Å; L115-L119 HydrophobicContact CG-CD1 4.01Å; L115-L119 HydrophobicContact CG-CG 4.37Å; L115-L119 WeakPolarHBondContact O-CB 3.11Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 2.93Å; L116-L119 PolarHBondContact O-N 3.25Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-Y121 PolarHBondContact O-N 3.34Å; L119-K122 PolarHBondContact O-N 3.15Å; L119-L123 HydrophobicContact CB-CD1 3.7Å; L119-L123 HydrophobicContact CB-CG 4.21Å; L119-L123 HydrophobicContact CD2-CD1 3.88Å; L119-L123 HydrophobicContact CD2-CD2 4.32Å; L119-L123 HydrophobicContact CD2-CG 4.11Å; L119-L123 HydrophobicContact CG-CD1 4.36Å; L119-L123 WeakPolarHBondContact O-CA 3.29Å; L119-L123 WeakPolarHBondContact O-CB 3.35Å; L119-L123 WeakPolarHBondContact O-CD1 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.9Å; L119-M145 HydrophobicContact CD2-SD 4.07Å; L119-L148 HydrophobicContact CD1-CB 4.49Å; L119-L148 HydrophobicContact CD1-CD1 4.18Å
120E41.4Very low40.3Very low145 Ų14581.8 Ų81.868%0.67841%0.413SS*.Hα-helixtrans-58.1-40.7175.6-70.7171.9169.100113.3L116L116-E120 WeakPolarHBondContact O-CB 3.28Å; L116-E120 VanDerWaalsContact O-CG 3.31Å; L116-E120 WeakPolarHBondContact O-CG 3.07Å; L116-E120 PolarHBondContact O-N 3.08Å
121Y40.2Very low40.1Very low164 Ų16477.4 Ų77.464%0.64339%0.393SS*.Hα-helixtrans-79.8-36.9-179-178.5-100.5000113.3Q117 L119Q117-Y121 WeakPolarHBondContact O-CA 3.45Å; Q117-Y121 WeakPolarHBondContact O-CB 3.32Å; Q117-Y121 PolarHBondContact O-N 2.98Å; L119-Y121 VanDerWaalsContact C-N 3.34Å; L119-Y121 PolarHBondContact O-N 3.34Å
122K41.6Very low39.6Very low60 Ų6078.8 Ų78.826%0.26140%0.397SS..Hα-helixtrans-101.7-14.5-173.7-60.1-172.4169.2-109.50114.6F95 L118 L119 K124 R125F95-K122 HydrophobicContact CD1-CD 4.27Å; F95-K122 HydrophobicContact CE1-CD 3.92Å; L118-K122 HydrophobicContact CD2-CD 3.64Å; L118-K122 HydrophobicContact CD2-CG 4.15Å; L118-K122 WeakPolarHBondContact O-CA 3.47Å; L118-K122 WeakPolarHBondContact O-CB 3.17Å; L118-K122 VanDerWaalsContact O-CG 3.29Å; L118-K122 WeakPolarHBondContact O-CG 3.46Å; L118-K122 PolarHBondContact O-N 3.16Å; L119-K122 PolarHBondContact O-N 3.15Å; K122-K124 PolarHBondContact O-N 2.93Å; K122-R125 WeakPolarHBondContact O-CG 3.49Å; K122-R125 PolarHBondContact O-NE 3.41Å
123L44.7Very low38.9Very low19 Ų1986.3 Ų86.310%0.09942%0.422CS..  trans-8122.2171-63.2171.6000112.2L119 R125 A149 A152L119-L123 HydrophobicContact CB-CD1 3.7Å; L119-L123 HydrophobicContact CB-CG 4.21Å; L119-L123 HydrophobicContact CD2-CD1 3.88Å; L119-L123 HydrophobicContact CD2-CD2 4.32Å; L119-L123 HydrophobicContact CD2-CG 4.11Å; L119-L123 HydrophobicContact CG-CD1 4.36Å; L119-L123 WeakPolarHBondContact O-CA 3.29Å; L119-L123 WeakPolarHBondContact O-CB 3.35Å; L119-L123 WeakPolarHBondContact O-CD1 3.32Å; L119-L123 WeakPolarHBondContact O-CG 3.4Å; L119-L123 PolarHBondContact O-N 2.9Å; L123-R125 PolarHBondContact O-N 3.09Å; L123-A149 HydrophobicContact CD1-CB 4.19Å; L123-A149 HydrophobicContact CD2-CB 3.98Å; L123-A152 HydrophobicContact CD1-CB 4.06Å
124K44.6Very low38.2Very low160 Ų16085.9 Ų85.970%0.69642%0.415SS*.  trans-62.453.8154.6-65.1-173.7179-176.10110.7K122K122-K124 PolarHBondContact O-N 2.93Å
125R42.2Very low37.8Very low53 Ų5382.2 Ų82.220%0.240%0.402CS..  trans-116142.4-167.5-73.2175.6-170.9-152.8-34.2109.4V83 N87 K122 L123V83-R125 PolarHBondContact O-NH1 3.19Å; N87-R125 VanDerWaalsContact CG-NH1 3.29Å; N87-R125 PolarHBondContact ND2-NH1 3.03Å; N87-R125 PolarHBondContact ND2-NH2 2.03Å; N87-R125 PolarHBondContact OD1-NE 3.46Å; N87-R125 PolarHBondContact OD1-NH1 3.45Å; N87-R125 PolarHBondContact OD1-NH2 2.83Å; K122-R125 WeakPolarHBondContact O-CG 3.49Å; K122-R125 PolarHBondContact O-NE 3.41Å; L123-R125 PolarHBondContact O-N 3.09Å
126K40.8Very low37.6Very low56 Ų5685.4 Ų85.424%0.24343%0.429CS..PPolyproline II helixtrans-77.9117.9160.2-138.6-163.6-143.8119.10108.1A219 S220 V221K126-A219 WeakPolarHBondContact CD-O 2.91Å; K126-A219 VanDerWaalsContact CE-C 3.47Å; K126-A219 WeakPolarHBondContact CE-O 3.46Å; K126-A219 WeakPolarHBondContact CG-O 3.3Å; K126-S220 WeakPolarHBondContact CE-O 3.44Å; K126-S220 PolarHBondContact NZ-O 3.2Å; K126-V221 HydrophobicContact CB-CB 3.66Å; K126-V221 HydrophobicContact CB-CG1 4.22Å; K126-V221 WeakPolarHBondContact CB-O 3.36Å; K126-V221 WeakPolarHBondContact CD-O 3.4Å; K126-V221 VanDerWaalsContact CE-C 3.43Å; K126-V221 WeakPolarHBondContact CE-O 3.45Å; K126-V221 HydrophobicContact CG-CB 3.72Å; K126-V221 VanDerWaalsContact CG-N 3.33Å; K126-V221 WeakPolarHBondContact CG-O 3.05Å; K126-V221 PolarHBondContact NZ-O 2.01Å
127L35Very low38.3Very low56 Ų5685.1 Ų85.129%0.29343%0.426SS..PPolyproline II helixtrans-77.7128.5147.3-142.672.7000106.3V83 S129 L150V83-L127 HydrophobicContact CG1-CD1 4.21Å; L127-S129 PolarHBondContact O-N 2.94Å; L127-L150 HydrophobicContact CD2-CD2 4.32Å
128G33.5Very low39Very low31 Ų3180.6 Ų80.632%0.3241%0.41SS..PPolyproline II helixtrans-54.914117800000110.4V130G128-V130 PolarHBondContact O-N 2.96Å
129S30.8Very low39.8Very low107 Ų10779.5 Ų79.575%0.74841%0.405SS*.SBendtrans-65.730.1177.1440000114.1L127L127-S129 PolarHBondContact O-N 2.94Å
130V30.3Very low40.9Very low91 Ų9181.4 Ų81.455%0.55242%0.415SS*.  trans-96.2107.3-175.6-178.70000106.6G128G128-V130 PolarHBondContact O-N 2.96Å
131E36.6Very low42Very low66 Ų6675.2 Ų75.231%0.30839%0.387SS..  trans96.823.9159.2-62.1174.4167.100119.8Y133 L134E131-Y133 PolarHBondContact O-N 3.28Å; E131-Y133 VanDerWaalsContact O-N 3.13Å; E131-L134 HydrophobicContact CB-CB 3.77Å; E131-L134 HydrophobicContact CB-CD1 4.33Å; E131-L134 HydrophobicContact CG-CB 3.97Å; E131-L134 HydrophobicContact CG-CD1 3.55Å; E131-L134 HydrophobicContact CG-CG 4.39Å; E131-L134 PolarHBondContact O-N 3.07Å; E131-L134 WeakPolarHBondContact OE1-CD1 2.96Å
132L30.7Very low43.6Very low81 Ų8169.7 Ų69.742%0.42437%0.366SS..G310 helixtrans-60.4-21.4161.9-135.8107.3000112.2L135 F211 V212L132-L135 HydrophobicContact CG-CD1 4.43Å; L132-F211 HydrophobicContact CD1-CE1 4.23Å; L132-F211 HydrophobicContact CD2-CD1 4.2Å; L132-F211 HydrophobicContact CD2-CE1 3.95Å; L132-F211 HydrophobicContact CG-CE1 4.46Å; L132-V212 HydrophobicContact CD2-CG2 3.93Å
133Y28Very low45.2Very low231 Ų23167.4 Ų67.491%0.90636%0.356SS*.G310 helixtrans-82.3-6.9174.8-72.4-81.1000114.7E131E131-Y133 PolarHBondContact O-N 3.28Å; E131-Y133 VanDerWaalsContact O-N 3.13Å
134L30Very low46.3Very low78 Ų7869.7 Ų69.741%0.40837%0.368SS..G310 helixtrans-110.110.2-173.9-108.4152.6000113.3E131 A136 A138E131-L134 HydrophobicContact CB-CB 3.77Å; E131-L134 HydrophobicContact CB-CD1 4.33Å; E131-L134 HydrophobicContact CG-CB 3.97Å; E131-L134 HydrophobicContact CG-CD1 3.55Å; E131-L134 HydrophobicContact CG-CG 4.39Å; E131-L134 PolarHBondContact O-N 3.07Å; E131-L134 WeakPolarHBondContact OE1-CD1 2.96Å; L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 2.87Å; L134-A138 WeakPolarHBondContact O-CB 3.44Å
135L35.7Very low47.4Very low66 Ų6662.6 Ų62.635%0.34634%0.338SS..THydrogen-bonded Turntrans-77.3-2.6-176.6-82166.3000115.2L132 E137 V171L132-L135 HydrophobicContact CG-CD1 4.43Å; L135-E137 PolarHBondContact O-N 2.84Å; L135-V171 HydrophobicContact CD1-CB 4.15Å; L135-V171 HydrophobicContact CD1-CG1 3.98Å; L135-V171 HydrophobicContact CD2-CB 4.41Å
136A37.3Very low49Very low75 Ų7560.4 Ų60.462%0.6233%0.33SS*.THydrogen-bonded Turntrans-61.3-33.7-178.300000111.8L134L134-A136 VanDerWaalsContact C-N 3.27Å; L134-A136 PolarHBondContact O-N 2.87Å
137E55.1Low50.9Low51 Ų5157.8 Ų57.824%0.23832%0.319CS..SBendtrans-153.734-171.7-62.2-177.6128.100112.6F22 T30 I31 Y32 L135F22-E137 HydrophobicContact CE1-CG 4.3Å; T30-E137 WeakPolarHBondContact CA-OE2 3.46Å; T30-E137 WeakPolarHBondContact CB-OE1 3.43Å; T30-E137 WeakPolarHBondContact CB-OE2 3.43Å; T30-E137 WeakPolarHBondContact O-CB 3.44Å; I31-E137 WeakPolarHBondContact CA-O 3.35Å; Y32-E137 PolarHBondContact N-O 3.18Å; L135-E137 PolarHBondContact O-N 2.84Å
138A57.3Low52.9Low28 Ų2855.9 Ų55.923%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-97.8122.9-178.100000112.9Y32 L134 I140Y32-A138 HydrophobicContact CD1-CB 4.34Å; Y32-A138 CarbonylContact O-C 3.57Å; Y32-A138 VanDerWaalsContact O-CA 3.26Å; Y32-A138 WeakPolarHBondContact O-CA 3.47Å; L134-A138 WeakPolarHBondContact O-CB 3.44Å; A138-I140 HydrophobicContact CB-CG1 4.44Å
139V58.7Low54.8Low29 Ų2954.7 Ų54.718%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-100.3118.4167.4178.50000108.7Y32 V33 R34 T48 I49Y32-V139 PolarHBondContact O-N 3.47Å; V33-V139 WeakPolarHBondContact CA-O 3.43Å; V33-V139 HydrophobicContact CG1-CB 4.18Å; V33-V139 HydrophobicContact CG1-CG1 4.4Å; V33-V139 WeakPolarHBondContact CG1-O 3.44Å; V33-V139 HydrophobicContact CG2-CB 4.36Å; R34-V139 PolarHBondContact N-O 3.35Å; T48-V139 HydrophobicContact CG2-CG1 4.12Å; I49-V139 HydrophobicContact CD1-CB 4.18Å; I49-V139 HydrophobicContact CD1-CG1 4.43Å; I49-V139 HydrophobicContact CD1-CG2 4.01Å
140I65.2Low57.2Low63 Ų6351 Ų5132%0.32327%0.268SS..EExtended strand (participates in β ladder)trans-115.1124.4-177.2-48.2-178.3000109.5R34 L81 A138 Y142R34-I140 CarbonylContact O-C 3.6Å; R34-I140 VanDerWaalsContact O-CA 3.29Å; R34-I140 WeakPolarHBondContact O-CA 3.38Å; L81-I140 HydrophobicContact CD1-CG2 3.72Å; L81-I140 HydrophobicContact CD2-CG2 3.28Å; L81-I140 HydrophobicContact CG-CG2 4.14Å; A138-I140 HydrophobicContact CB-CG1 4.44Å; I140-Y142 HydrophobicContact CB-CD1 4.02Å; I140-Y142 HydrophobicContact CB-CE1 4.19Å; I140-Y142 HydrophobicContact CG2-CD1 3.65Å; I140-Y142 HydrophobicContact CG2-CE1 4.24Å; I140-Y142 WeakPolarHBondContact O-CD1 3.25Å; I140-Y142 WeakPolarHBondContact O-CE1 3.47Å
141S64.7Low59.8Low14 Ų1446.8 Ų46.810%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-109.2120.1175.7-173.10000111.3R34 S35 S36 T41R34-S141 PolarHBondContact O-N 3.33Å; S35-S141 WeakPolarHBondContact CA-O 3.35Å; S35-S141 PolarHBondContact OG-O 3.42Å; S36-S141 PolarHBondContact N-O 3.01Å; T41-S141 PolarHBondContact O-OG 3.48Å; T41-S141 VanDerWaalsContact O-OG 3.1Å
142Y74Confident62Low48 Ų4845.3 Ų45.319%0.18824%0.242CC..  trans-147.5-165.1-16954.3-95.9000112I140 T146 L147 I169I140-Y142 HydrophobicContact CB-CD1 4.02Å; I140-Y142 HydrophobicContact CB-CE1 4.19Å; I140-Y142 HydrophobicContact CG2-CD1 3.65Å; I140-Y142 HydrophobicContact CG2-CE1 4.24Å; I140-Y142 WeakPolarHBondContact O-CD1 3.25Å; I140-Y142 WeakPolarHBondContact O-CE1 3.47Å; Y142-T146 VanDerWaalsContact CD2-CB 3.41Å; Y142-T146 HydrophobicContact CD2-CG2 3.79Å; Y142-T146 HydrophobicContact CE2-CG2 3.92Å; Y142-T146 HydrophobicContact CG-CG2 4.24Å; Y142-L147 HydrophobicContact CD2-CG 4.46Å; Y142-L147 HydrophobicContact CE2-CB 4.14Å; Y142-L147 HydrophobicContact CE2-CD1 4.47Å; Y142-L147 HydrophobicContact CE2-CD2 3.86Å; Y142-L147 HydrophobicContact CE2-CG 3.44Å; Y142-L147 VanDerWaalsContact CE2-CG 3.44Å; Y142-L147 WeakPolarHBondContact OH-CD2 3.45Å; Y142-I169 WeakPolarHBondContact OH-CG2 3.37Å
143H73.5Confident64.3Low12 Ų1242.6 Ų42.66%0.05623%0.227CC..  trans-99.2151-174.9-54.1-52000112.3S36 R40 T41 D82 M145 T146S36-H143 PolarHBondContact OG-CE1 2.87Å; S36-H143 VanDerWaalsContact OG-CE1 3.28Å; S36-H143 PolarHBondContact OG-NE2 3.15Å; R40-H143 VanDerWaalsContact CZ-CE1 3.47Å; R40-H143 PolarHBondContact NH2-CE1 2.81Å; R40-H143 PolarHBondContact NH2-ND1 2.98Å; T41-H143 VanDerWaalsContact CG2-CE1 3.46Å; T41-H143 WeakPolarHBondContact CG2-CE1 3.47Å; D82-H143 IonicContact OD1-CD2 3.85Å; D82-H143 IonicContact OD2-NE2 2.76Å; H143-M145 PolarHBondContact O-N 3.03Å; H143-M145 VanDerWaalsContact O-N 3.08Å; H143-T146 WeakPolarHBondContact O-CB 3.43Å; H143-T146 PolarHBondContact O-N 2.7Å
144D68.2Low67.1Low67 Ų6732.5 Ų32.536%0.35819%0.188SC..Hα-helixtrans-42-42.3171.655.9-12.9000113.8T146 L147 L148 P163D144-T146 VanDerWaalsContact C-N 3.28Å; D144-T146 PolarHBondContact O-N 3.35Å; D144-L147 WeakPolarHBondContact O-CB 3.49Å; D144-L147 PolarHBondContact O-N 2.76Å; D144-L147 VanDerWaalsContact O-N 3.15Å; D144-L148 WeakPolarHBondContact O-CG 3.38Å; D144-L148 PolarHBondContact O-N 3Å; D144-P163 HydrophobicContact CB-CB 4.25Å; D144-P163 HydrophobicContact CB-CG 4.43Å
145M68.9Low69.7Low12 Ų1230.9 Ų30.96%0.05919%0.189CC..Hα-helixtrans-61-32.2178.6-67.8-67.3174.300113.8V83 T84 L115 L119 H143 L148 A149V83-M145 HydrophobicContact CG2-CB 3.56Å; T84-M145 HydrophobicContact CG2-CB 4.41Å; T84-M145 HydrophobicContact CG2-CG 4.3Å; L115-M145 HydrophobicContact CD1-CE 4.17Å; L115-M145 HydrophobicContact CD2-CE 4.18Å; L119-M145 HydrophobicContact CD2-SD 4.07Å; H143-M145 PolarHBondContact O-N 3.03Å; H143-M145 VanDerWaalsContact O-N 3.08Å; M145-L148 HydrophobicContact SD-CD1 4.3Å; M145-A149 WeakPolarHBondContact O-CB 3.49Å; M145-A149 PolarHBondContact O-N 3.14Å
146T74Confident72.2Confident6 Ų628.9 Ų28.94%0.03718%0.18CC..Hα-helixtrans-73.5-36.3178-48.70000110.4L81 V83 Y142 H143 D144 A149 L150L81-T146 PolarHBondContact O-OG1 3.25Å; V83-T146 HydrophobicContact CG1-CG2 4.01Å; Y142-T146 VanDerWaalsContact CD2-CB 3.41Å; Y142-T146 HydrophobicContact CD2-CG2 3.79Å; Y142-T146 HydrophobicContact CE2-CG2 3.92Å; Y142-T146 HydrophobicContact CG-CG2 4.24Å; H143-T146 WeakPolarHBondContact O-CB 3.43Å; H143-T146 PolarHBondContact O-N 2.7Å; D144-T146 VanDerWaalsContact C-N 3.28Å; D144-T146 PolarHBondContact O-N 3.35Å; T146-A149 PolarHBondContact O-N 2.77Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 2.64Å; T146-L150 VanDerWaalsContact O-N 3.09Å
147L80.5Confident74.4Confident2 Ų228 Ų281%0.0117%0.173CC..Hα-helixtrans-64-48.3172.6-88.1177.7000110.5Y142 D144 A149 L150 L151 P163 S167 I169 Y186Y142-L147 HydrophobicContact CD2-CG 4.46Å; Y142-L147 HydrophobicContact CE2-CB 4.14Å; Y142-L147 HydrophobicContact CE2-CD1 4.47Å; Y142-L147 HydrophobicContact CE2-CD2 3.86Å; Y142-L147 HydrophobicContact CE2-CG 3.44Å; Y142-L147 VanDerWaalsContact CE2-CG 3.44Å; Y142-L147 WeakPolarHBondContact OH-CD2 3.45Å; D144-L147 WeakPolarHBondContact O-CB 3.49Å; D144-L147 PolarHBondContact O-N 2.76Å; D144-L147 VanDerWaalsContact O-N 3.15Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.4Å; L147-L150 PolarHBondContact O-N 3.46Å; L147-L150 VanDerWaalsContact O-N 3.16Å; L147-L151 WeakPolarHBondContact O-CG 3.5Å; L147-L151 PolarHBondContact O-N 3.36Å; L147-P163 HydrophobicContact CB-CB 4.44Å; L147-P163 HydrophobicContact CB-CG 3.66Å; L147-P163 HydrophobicContact CD1-CB 3.69Å; L147-P163 HydrophobicContact CD1-CG 3.79Å; L147-P163 HydrophobicContact CG-CG 4.38Å; L147-S167 VanDerWaalsContact CD1-CB 3.42Å; L147-S167 WeakPolarHBondContact CD1-OG 3Å; L147-I169 HydrophobicContact CD2-CB 3.69Å; L147-I169 HydrophobicContact CD2-CD1 4.11Å; L147-I169 HydrophobicContact CD2-CG2 3.87Å; L147-Y186 HydrophobicContact CD1-CE2 3.9Å; L147-Y186 HydrophobicContact CD2-CD2 4.4Å; L147-Y186 HydrophobicContact CD2-CE2 3.9Å; L147-Y186 HydrophobicContact CG-CE2 4.45Å
148L77Confident75.8Confident15 Ų1529.5 Ų29.58%0.07918%0.183CC..Hα-helixtrans-59-38.8177.8-70.7171.6000112L119 D144 M145 L151 A152 Y162 P163L119-L148 HydrophobicContact CD1-CB 4.49Å; L119-L148 HydrophobicContact CD1-CD1 4.18Å; D144-L148 WeakPolarHBondContact O-CG 3.38Å; D144-L148 PolarHBondContact O-N 3Å; M145-L148 HydrophobicContact SD-CD1 4.3Å; L148-L151 PolarHBondContact O-N 3.42Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.27Å; L148-Y162 HydrophobicContact CD1-CD2 4.24Å; L148-Y162 HydrophobicContact CD1-CE2 3.73Å; L148-Y162 HydrophobicContact CD2-CD2 4.05Å; L148-Y162 HydrophobicContact CD2-CE2 4.38Å; L148-P163 HydrophobicContact CD2-CG 4.23Å; L148-P163 HydrophobicContact CG-CG 4.06Å
149A75.3Confident77.1Confident6 Ų632.6 Ų32.65%0.0520%0.2CC..Hα-helixtrans-62.4-46.6174.900000112.1L123 M145 T146 L147 L151 A152 D153L123-A149 HydrophobicContact CD1-CB 4.19Å; L123-A149 HydrophobicContact CD2-CB 3.98Å; M145-A149 WeakPolarHBondContact O-CB 3.49Å; M145-A149 PolarHBondContact O-N 3.14Å; T146-A149 PolarHBondContact O-N 2.77Å; L147-A149 VanDerWaalsContact C-N 3.25Å; L147-A149 PolarHBondContact O-N 3.4Å; A149-L151 PolarHBondContact O-N 3.19Å; A149-A152 PolarHBondContact O-N 3.41Å; A149-D153 PolarHBondContact O-N 3.36Å
150L81.3Confident78.4Confident31 Ų3135.6 Ų35.616%0.16222%0.222CC..Hα-helixtrans-62.1-42.4176.5-70.2171.4000112.4L127 T146 L147 A152 D153 W154 I169L127-L150 HydrophobicContact CD2-CD2 4.32Å; T146-L150 WeakPolarHBondContact O-CG 3.23Å; T146-L150 PolarHBondContact O-N 2.64Å; T146-L150 VanDerWaalsContact O-N 3.09Å; L147-L150 PolarHBondContact O-N 3.46Å; L147-L150 VanDerWaalsContact O-N 3.16Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 2.96Å; L150-D153 PolarHBondContact O-N 3.47Å; L150-W154 HydrophobicContact CB-CH2 4.5Å; L150-W154 HydrophobicContact CB-CZ3 4.49Å; L150-W154 HydrophobicContact CD2-CZ2 4.19Å; L150-W154 PolarHBondContact O-N 3.07Å; L150-I169 HydrophobicContact CB-CD1 4.47Å; L150-I169 HydrophobicContact CD1-CG2 4.41Å
151L84.8Confident79.4Confident1 Ų133.4 Ų33.41%0.00521%0.211CC..Hα-helixtrans-61.2-39.7175.7-66.1174.4000111.4L147 L148 A149 G155 V156 A157 L161 Y186 L197L147-L151 WeakPolarHBondContact O-CG 3.5Å; L147-L151 PolarHBondContact O-N 3.36Å; L148-L151 PolarHBondContact O-N 3.42Å; A149-L151 PolarHBondContact O-N 3.19Å; L151-G155 PolarHBondContact O-N 2.97Å; L151-V156 HydrophobicContact CB-CG2 4.23Å; L151-V156 HydrophobicContact CD2-CG2 3.77Å; L151-V156 WeakPolarHBondContact O-CG2 3.36Å; L151-V156 PolarHBondContact O-N 2.89Å; L151-A157 HydrophobicContact CB-CB 4.18Å; L151-A157 PolarHBondContact O-N 2.88Å; L151-A157 VanDerWaalsContact O-N 3.07Å; L151-L161 HydrophobicContact CD1-CB 4.16Å; L151-Y186 HydrophobicContact CD1-CE1 4.44Å; L151-L197 HydrophobicContact CD2-CD1 3.49Å; L151-L197 VanDerWaalsContact CD2-CD1 3.49Å; L151-L197 HydrophobicContact CD2-CD2 4.33Å
152A81.9Confident80.4Confident36 Ų3635.1 Ų35.130%0.29822%0.216SC..Hα-helixtrans-68.3-45.4176.900000112L123 L148 A149 L150 W154 G155 A157L123-A152 HydrophobicContact CD1-CB 4.06Å; L148-A152 WeakPolarHBondContact O-CB 3.37Å; L148-A152 PolarHBondContact O-N 3.27Å; A149-A152 PolarHBondContact O-N 3.41Å; L150-A152 VanDerWaalsContact C-N 3.29Å; L150-A152 PolarHBondContact O-N 2.96Å; A152-W154 VanDerWaalsContact C-N 3.28Å; A152-W154 PolarHBondContact O-N 3.42Å; A152-G155 WeakPolarHBondContact O-CA 3.26Å; A152-G155 PolarHBondContact O-N 2.95Å; A152-A157 HydrophobicContact CB-CB 4.35Å
153D79.5Confident81.1Confident23 Ų2333.2 Ų33.212%0.12321%0.209CC..Hα-helixtrans-61.3-37.1178.8-73.4-13.2000111.8A149 L150 G155 F218A149-D153 PolarHBondContact O-N 3.36Å; L150-D153 PolarHBondContact O-N 3.47Å; D153-G155 PolarHBondContact O-N 3.37Å; D153-F218 HydrophobicContact CB-CG 4.34Å; D153-F218 WeakPolarHBondContact O-CE2 2.87Å; D153-F218 VanDerWaalsContact O-CZ 3.26Å; D153-F218 WeakPolarHBondContact O-CZ 3.09Å
154W86Confident81.9Confident20 Ų2035.9 Ų35.98%0.07622%0.224CC..THydrogen-bonded Turntrans-82.80.3175.9-62.1-21.2000113.9L150 A152 V156 I169 V171 I184 L197 V199 K200 F211L150-W154 HydrophobicContact CB-CH2 4.5Å; L150-W154 HydrophobicContact CB-CZ3 4.49Å; L150-W154 HydrophobicContact CD2-CZ2 4.19Å; L150-W154 PolarHBondContact O-N 3.07Å; A152-W154 VanDerWaalsContact C-N 3.28Å; A152-W154 PolarHBondContact O-N 3.42Å; W154-V156 VanDerWaalsContact C-N 3.28Å; W154-V156 HydrophobicContact CB-CG2 4.1Å; W154-V156 PolarHBondContact O-N 2.87Å; W154-I169 HydrophobicContact CE3-CD1 4.22Å; W154-I169 HydrophobicContact CH2-CD1 3.97Å; W154-I169 HydrophobicContact CZ3-CD1 3.32Å; W154-I169 HydrophobicContact CZ3-CG1 4.04Å; W154-V171 HydrophobicContact CH2-CG2 3.71Å; W154-V171 HydrophobicContact CZ2-CG2 4.41Å; W154-I184 HydrophobicContact CD2-CD1 3.92Å; W154-I184 HydrophobicContact CE3-CD1 3.7Å; W154-I184 HydrophobicContact CE3-CG2 4.05Å; W154-I184 HydrophobicContact CH2-CD1 3.86Å; W154-I184 HydrophobicContact CH2-CG2 4.15Å; W154-I184 HydrophobicContact CZ2-CD1 4.08Å; W154-I184 HydrophobicContact CZ3-CD1 3.64Å; W154-I184 HydrophobicContact CZ3-CG1 4.48Å; W154-I184 HydrophobicContact CZ3-CG2 3.44Å; W154-I184 VanDerWaalsContact CZ3-CG2 3.44Å; W154-L197 HydrophobicContact CE3-CD1 4.42Å; W154-V199 HydrophobicContact CB-CG1 4.19Å; W154-V199 HydrophobicContact CB-CG2 4.26Å; W154-V199 HydrophobicContact CG-CG1 4.42Å; W154-V199 HydrophobicContact CG-CG2 4.22Å; W154-K200 WeakPolarHBondContact O-CB 3.22Å; W154-K200 PolarHBondContact O-N 2.76Å; W154-F211 HydrophobicContact CZ2-CE2 4.46Å; W154-F211 HydrophobicContact CZ2-CZ 4.08Å; W154-F211 AromaticContact NE1-CE2 3.84Å; W154-F211 AromaticContact NE1-CZ 3.97Å
155G85.7Confident82.9Confident43 Ų4341.3 Ų41.344%0.44325%0.245SC..THydrogen-bonded Turntrans67.326.7177.900000113.9L151 A152 D153L151-G155 PolarHBondContact O-N 2.97Å; A152-G155 WeakPolarHBondContact O-CA 3.26Å; A152-G155 PolarHBondContact O-N 2.95Å; D153-G155 PolarHBondContact O-N 3.37Å
156V87.5Confident83.9Confident25 Ų2541 Ų4115%0.15224%0.244CC..  trans-116.76.1-177-61.50000113.1L151 W154 D158 L161 L197 K198L151-V156 HydrophobicContact CB-CG2 4.23Å; L151-V156 HydrophobicContact CD2-CG2 3.77Å; L151-V156 WeakPolarHBondContact O-CG2 3.36Å; L151-V156 PolarHBondContact O-N 2.89Å; W154-V156 VanDerWaalsContact C-N 3.28Å; W154-V156 HydrophobicContact CB-CG2 4.1Å; W154-V156 PolarHBondContact O-N 2.87Å; V156-D158 PolarHBondContact O-N 3.02Å; V156-D158 VanDerWaalsContact O-N 3.17Å; V156-L161 WeakPolarHBondContact O-CD1 3.44Å; V156-L197 HydrophobicContact CG2-CD1 4.19Å; V156-L197 HydrophobicContact CG2-CD2 4.31Å; V156-K198 WeakPolarHBondContact CG1-O 3.31Å
157A83.6Confident84.8Confident57 Ų5742.1 Ų42.147%0.47125%0.252SS..  trans-60.3118.6178.700000111.1L151 A152L151-A157 HydrophobicContact CB-CB 4.18Å; L151-A157 PolarHBondContact O-N 2.88Å; L151-A157 VanDerWaalsContact O-N 3.07Å; A152-A157 HydrophobicContact CB-CB 4.35Å
158D84.5Confident85.4Confident82 Ų8242.9 Ų42.944%0.43926%0.257SS..  trans-136.7142.9177.9-177.5-86.1000109.3V156 S160 L161V156-D158 PolarHBondContact O-N 3.02Å; V156-D158 VanDerWaalsContact O-N 3.17Å; D158-S160 PolarHBondContact O-N 3.46Å; D158-S160 VanDerWaalsContact O-N 3.13Å; D158-S160 WeakPolarHBondContact OD1-CA 3.38Å; D158-S160 WeakPolarHBondContact OD1-CB 3.3Å; D158-S160 PolarHBondContact OD1-N 2.85Å; D158-S160 PolarHBondContact OD1-OG 3.11Å; D158-L161 HydrophobicContact CB-CD1 4.17Å; D158-L161 HydrophobicContact CB-CG 4.17Å; D158-L161 WeakPolarHBondContact O-CB 3.36Å; D158-L161 PolarHBondContact O-N 3.32Å
159P83.6Confident86.1Confident92 Ų9243.5 Ų43.560%0.59726%0.26SS*.G310 helixtrans-55.3-29.1178.9-27.735.8000114.8L161 Y162P159-L161 PolarHBondContact O-N 3.34Å; P159-Y162 PolarHBondContact O-N 2.79Å
160S85.8Confident86.9Confident92 Ų9243.7 Ų43.764%0.64326%0.26SS*.G310 helixtrans-71.1-16.1175.969.80000113.6D158D158-S160 PolarHBondContact O-N 3.46Å; D158-S160 VanDerWaalsContact O-N 3.13Å; D158-S160 WeakPolarHBondContact OD1-CA 3.38Å; D158-S160 WeakPolarHBondContact OD1-CB 3.3Å; D158-S160 PolarHBondContact OD1-N 2.85Å; D158-S160 PolarHBondContact OD1-OG 3.11Å
161L87.7Confident87.3Confident17 Ų1743.7 Ų43.79%0.08926%0.261CS..G310 helixtrans-98.310.7179.4-58.3-179.6000112.8L151 V156 D158 P159 Y186 V195 L197L151-L161 HydrophobicContact CD1-CB 4.16Å; V156-L161 WeakPolarHBondContact O-CD1 3.44Å; D158-L161 HydrophobicContact CB-CD1 4.17Å; D158-L161 HydrophobicContact CB-CG 4.17Å; D158-L161 WeakPolarHBondContact O-CB 3.36Å; D158-L161 PolarHBondContact O-N 3.32Å; P159-L161 PolarHBondContact O-N 3.34Å; L161-Y186 HydrophobicContact CB-CD1 4.4Å; L161-Y186 HydrophobicContact CB-CE1 3.94Å; L161-Y186 HydrophobicContact CD2-CD1 4.07Å; L161-Y186 HydrophobicContact CD2-CE1 4.27Å; L161-Y186 VanDerWaalsContact O-CE1 3.24Å; L161-Y186 WeakPolarHBondContact O-CE1 2.98Å; L161-Y186 PolarHBondContact O-OH 3.26Å; L161-V195 HydrophobicContact CD2-CG1 4.35Å; L161-V195 HydrophobicContact CD2-CG2 4.26Å; L161-L197 HydrophobicContact CD1-CD2 3.94Å
162Y86.1Confident87.4Confident51 Ų5144.7 Ų44.720%0.227%0.266CS..PPolyproline II helixtrans-55.4130.7177-167.1-92.1000110.8V111 L148 P159 D164V111-Y162 HydrophobicContact CG2-CD2 4.02Å; V111-Y162 HydrophobicContact CG2-CE2 4.21Å; L148-Y162 HydrophobicContact CD1-CD2 4.24Å; L148-Y162 HydrophobicContact CD1-CE2 3.73Å; L148-Y162 HydrophobicContact CD2-CD2 4.05Å; L148-Y162 HydrophobicContact CD2-CE2 4.38Å; P159-Y162 PolarHBondContact O-N 2.79Å; Y162-D164 PolarHBondContact O-N 3.18Å
163P88.2Confident87.6Confident8 Ų848 Ų485%0.05228%0.278CS..PPolyproline II helixtrans-65.9119.5-178.6-20.631.1000112.8D144 L147 L148 Y186D144-P163 HydrophobicContact CB-CB 4.25Å; D144-P163 HydrophobicContact CB-CG 4.43Å; L147-P163 HydrophobicContact CB-CB 4.44Å; L147-P163 HydrophobicContact CB-CG 3.66Å; L147-P163 HydrophobicContact CD1-CB 3.69Å; L147-P163 HydrophobicContact CD1-CG 3.79Å; L147-P163 HydrophobicContact CG-CG 4.38Å; L148-P163 HydrophobicContact CD2-CG 4.23Å; L148-P163 HydrophobicContact CG-CG 4.06Å; P163-Y186 WeakPolarHBondContact CA-OH 3.39Å; P163-Y186 WeakPolarHBondContact CG-OH 3.25Å
164D90.2Very high87.8Confident67 Ų6749.7 Ų49.736%0.35829%0.285SS..PPolyproline II helixtrans-83.1172.2161.3-73.2-30.7000109.9Y162 S166 S167 P188 K192Y162-D164 PolarHBondContact O-N 3.18Å; D164-S166 PolarHBondContact O-N 3.16Å; D164-S167 VanDerWaalsContact O-CB 3.22Å; D164-S167 WeakPolarHBondContact O-CB 3.4Å; D164-S167 PolarHBondContact O-N 3.29Å; D164-S167 VanDerWaalsContact O-N 3.14Å; D164-S167 PolarHBondContact O-OG 3.45Å; D164-P188 WeakPolarHBondContact CA-O 3.44Å; D164-P188 WeakPolarHBondContact CB-O 3.02Å; D164-P188 PolarHBondContact N-O 2.89Å; D164-K192 WeakPolarHBondContact OD2-CE 3.33Å; D164-K192 IonicContact OD2-NZ 3.41Å
165F89.1Confident87.8Confident181 Ų18154.7 Ų54.779%0.79431%0.309SS*.THydrogen-bonded Turntrans-55.7142.7171.2-65.1-64.7000111.2S167F165-S167 PolarHBondContact O-N 2.76Å
166S90.4Very high87.9Confident6 Ų658.4 Ų58.44%0.04231%0.31CS..THydrogen-bonded Turntrans61.619.2-174.774.20000115.7D164 H190D164-S166 PolarHBondContact O-N 3.16Å; S166-H190 WeakPolarHBondContact OG-CB 3.13Å; S166-H190 PolarHBondContact OG-N 2.69Å
167S92.7Very high88.2Confident29 Ų2963 Ų6320%0.20334%0.343CS..  trans-52.5142.6166.355.80000111.7L147 D164 F165 R187 P188L147-S167 VanDerWaalsContact CD1-CB 3.42Å; L147-S167 WeakPolarHBondContact CD1-OG 3Å; D164-S167 VanDerWaalsContact O-CB 3.22Å; D164-S167 WeakPolarHBondContact O-CB 3.4Å; D164-S167 PolarHBondContact O-N 3.29Å; D164-S167 VanDerWaalsContact O-N 3.14Å; D164-S167 PolarHBondContact O-OG 3.45Å; F165-S167 PolarHBondContact O-N 2.76Å; S167-R187 CarbonylContact C-O 3.53Å; S167-R187 WeakPolarHBondContact CA-O 3.47Å; S167-P188 VanDerWaalsContact CB-O 3.24Å; S167-P188 WeakPolarHBondContact CB-O 3.09Å
168C92.9Very high88.4Confident18 Ų1865.1 Ų65.112%0.12236%0.355CS..EExtended strand (participates in β ladder)trans-141.7133.8-176.5-179.20000110.8L11 M170 Y186 R187L11-C168 HydrophobicContact CD1-CB 3.66Å; L11-C168 HydrophobicContact CD2-CB 4.05Å; L11-C168 HydrophobicContact CG-CB 4.49Å; C168-M170 HydrophobicContact CB-CE 4.4Å; C168-Y186 WeakPolarHBondContact O-CA 3.46Å; C168-Y186 VanDerWaalsContact O-CD2 3.3Å; C168-Y186 WeakPolarHBondContact O-CD2 3.05Å; C168-R187 HydrophobicContact CB-CB 4.42Å; C168-R187 PolarHBondContact N-O 3.25Å; C168-R187 PolarHBondContact O-N 3.06Å
169I91.7Very high88.5Confident29 Ų2963.9 Ų63.915%0.14935%0.35CS..EExtended strand (participates in β ladder)trans-111.3134.3169.5-152161.4000108.4Y142 L147 L150 W154 I184 W185 Y186 L197Y142-I169 WeakPolarHBondContact OH-CG2 3.37Å; L147-I169 HydrophobicContact CD2-CB 3.69Å; L147-I169 HydrophobicContact CD2-CD1 4.11Å; L147-I169 HydrophobicContact CD2-CG2 3.87Å; L150-I169 HydrophobicContact CB-CD1 4.47Å; L150-I169 HydrophobicContact CD1-CG2 4.41Å; W154-I169 HydrophobicContact CE3-CD1 4.22Å; W154-I169 HydrophobicContact CH2-CD1 3.97Å; W154-I169 HydrophobicContact CZ3-CD1 3.32Å; W154-I169 HydrophobicContact CZ3-CG1 4.04Å; I169-I184 HydrophobicContact CG1-CG2 4.15Å; I169-W185 CarbonylContact C-O 3.51Å; I169-W185 WeakPolarHBondContact CA-O 3.45Å; I169-Y186 HydrophobicContact CB-CD2 4.16Å; I169-Y186 HydrophobicContact CD1-CD2 4.41Å; I169-Y186 HydrophobicContact CG1-CD2 4.18Å; I169-L197 HydrophobicContact CD1-CD1 4.09Å; I169-L197 HydrophobicContact CG1-CD1 4.42Å
170M90.9Very high88.7Confident9 Ų963.2 Ų63.24%0.04434%0.339CS..EExtended strand (participates in β ladder)trans-122.9118.3-177.6-69.9142.9-73.100107.2F14 L15 Y19 C168 I184 W185 R187 L194F14-M170 HydrophobicContact CE1-SD 3.93Å; L15-M170 HydrophobicContact CD2-CG 4.1Å; L15-M170 HydrophobicContact CD2-SD 3.93Å; Y19-M170 WeakPolarHBondContact OH-CB 3.47Å; Y19-M170 VanDerWaalsContact OH-CG 3.3Å; Y19-M170 WeakPolarHBondContact OH-CG 3.41Å; C168-M170 HydrophobicContact CB-CE 4.4Å; M170-I184 CarbonylContact O-C 3.6Å; M170-I184 WeakPolarHBondContact O-CA 3.21Å; M170-W185 HydrophobicContact CB-CB 4.22Å; M170-W185 HydrophobicContact CE-CB 4.1Å; M170-W185 WeakPolarHBondContact CE-O 3.48Å; M170-W185 PolarHBondContact N-O 3.03Å; M170-W185 PolarHBondContact O-N 2.84Å; M170-R187 HydrophobicContact CE-CB 4.31Å; M170-L194 HydrophobicContact CE-CD1 3.48Å; M170-L194 VanDerWaalsContact CE-CD1 3.48Å; M170-L194 HydrophobicContact SD-CD1 4.34Å
171V89.7Confident88.9Confident31 Ų3160.6 Ų60.619%0.18832%0.315CS..EExtended strand (participates in β ladder)trans-107.8115.1175.7-177.20000107L135 W154 V182 I184L135-V171 HydrophobicContact CD1-CB 4.15Å; L135-V171 HydrophobicContact CD1-CG1 3.98Å; L135-V171 HydrophobicContact CD2-CB 4.41Å; W154-V171 HydrophobicContact CH2-CG2 3.71Å; W154-V171 HydrophobicContact CZ2-CG2 4.41Å; V171-V182 HydrophobicContact CG1-CG1 3.9Å; V171-I184 HydrophobicContact CG1-CG1 4.47Å; V171-I184 HydrophobicContact CG2-CG2 4.49Å
172E87.3Confident89Confident22 Ų2260.4 Ų60.410%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-115.5131-170-63.6174.4176.300110.1R18 Y19 H174 V182 E183 W185R18-E172 IonicContact CZ-OE1 3.17Å; R18-E172 IonicContact NE-OE1 2.74Å; R18-E172 PolarHBondContact NE-OE1 2.82Å; R18-E172 VanDerWaalsContact NH2-CD 3.27Å; R18-E172 IonicContact NH2-OE1 3.74Å; R18-E172 PolarHBondContact NH2-OE1 2.85Å; R18-E172 IonicContact NH2-OE2 3.73Å; R18-E172 PolarHBondContact NH2-OE2 2.76Å; Y19-E172 HydrophobicContact CE1-CG 4.3Å; Y19-E172 VanDerWaalsContact CE1-OE1 3.29Å; Y19-E172 WeakPolarHBondContact CE1-OE1 3.28Å; Y19-E172 PolarHBondContact OH-OE1 2.76Å; E172-H174 WeakPolarHBondContact CB-NE2 3.23Å; E172-H174 IonicContact OE2-NE2 2.71Å; E172-H174 PolarHBondContact OE2-NE2 3.46Å; E172-V182 WeakPolarHBondContact O-CA 3.33Å; E172-E183 PolarHBondContact N-O 2.73Å; E172-E183 PolarHBondContact O-N 3.46Å; E172-W185 PolarHBondContact OE2-NE1 3.23Å
173L85.8Confident89.3Confident107 Ų10759.8 Ų59.856%0.5631%0.313SS*.EExtended strand (participates in β ladder)trans-99.9120.3174.7-175.165.3000109.4H180 V182 L208L173-H180 HydrophobicContact CD1-CB 4.09Å; L173-V182 HydrophobicContact CD1-CG2 4.33Å; L173-L208 HydrophobicContact CD1-CB 4.48Å; L173-L208 HydrophobicContact CD1-CD1 4.1Å; L173-L208 HydrophobicContact CD1-CD2 4.15Å; L173-L208 HydrophobicContact CD1-CG 4.48Å
174H84.9Confident89.5Confident57 Ų5759.5 Ų59.526%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-114.1146.6-179.9-66.4-101.3000110.3E172 H180 Y181 E183E172-H174 WeakPolarHBondContact CB-NE2 3.23Å; E172-H174 IonicContact OE2-NE2 2.71Å; E172-H174 PolarHBondContact OE2-NE2 3.46Å; H174-H180 CarbonylContact O-C 3.53Å; H174-H180 VanDerWaalsContact O-CA 3.28Å; H174-H180 WeakPolarHBondContact O-CA 3.2Å; H174-Y181 PolarHBondContact N-O 3.07Å; H174-Y181 PolarHBondContact O-N 3.18Å; H174-E183 IonicContact NE2-OE2 3.92Å
175E85.2Confident89.7Confident125 Ų12558.9 Ų58.958%0.58430%0.304SS*.EExtended strand (participates in β ladder)trans-114.5127.6171.1-171.3-175.1177.100109.8S178 V179E175-S178 WeakPolarHBondContact OE1-CA 3.42Å; E175-V179 WeakPolarHBondContact CA-O 3.37Å
176R89.1Confident89.9Confident122 Ų12250.3 Ų50.346%0.4627%0.266SS..EExtended strand (participates in β ladder)trans-134.7121.3171.4-52.6179.3-176.3159.99.5109S178 V179 Y181 E183R176-S178 VanDerWaalsContact C-N 3.29Å; R176-S178 PolarHBondContact O-N 2.8Å; R176-V179 PolarHBondContact N-O 2.9Å; R176-V179 WeakPolarHBondContact O-CB 3.48Å; R176-V179 PolarHBondContact O-N 3.36Å; R176-Y181 HydrophobicContact CB-CD2 4.25Å; R176-Y181 HydrophobicContact CB-CE2 3.82Å; R176-Y181 HydrophobicContact CG-CD2 4.24Å; R176-Y181 HydrophobicContact CG-CE2 4.27Å; R176-E183 IonicContact NH2-OE1 3.93Å; R176-E183 PolarHBondContact NH2-OE1 3.07Å
177S91.9Very high90Very high121 Ų12151.2 Ų51.285%0.84627%0.269SS*.THydrogen-bonded Turntrans50.645.8180-56.90000113.5V179S177-V179 PolarHBondContact O-N 3.09Å
178S88.7Confident90Very high102 Ų10250.4 Ų50.471%0.71326%0.263SS*.THydrogen-bonded Turntrans64.313.6-177.8-52.20000115.5E175 R176E175-S178 WeakPolarHBondContact OE1-CA 3.42Å; R176-S178 VanDerWaalsContact C-N 3.29Å; R176-S178 PolarHBondContact O-N 2.8Å
179V87.4Confident90Very high55 Ų5549.5 Ų49.533%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-109.1134.1172.4-174.70000109.1E175 R176 S177 Y181 K207E175-V179 WeakPolarHBondContact CA-O 3.37Å; R176-V179 PolarHBondContact N-O 2.9Å; R176-V179 WeakPolarHBondContact O-CB 3.48Å; R176-V179 PolarHBondContact O-N 3.36Å; S177-V179 PolarHBondContact O-N 3.09Å; V179-Y181 HydrophobicContact CB-CE2 3.68Å; V179-Y181 HydrophobicContact CG1-CD2 4.48Å; V179-Y181 HydrophobicContact CG1-CE1 3.97Å; V179-Y181 HydrophobicContact CG1-CE2 3.71Å; V179-Y181 VanDerWaalsContact CG1-CZ 3.44Å; V179-Y181 WeakPolarHBondContact CG1-OH 3.15Å; V179-Y181 VanDerWaalsContact O-CD2 3.31Å; V179-Y181 WeakPolarHBondContact O-CD2 3.44Å; V179-Y181 VanDerWaalsContact O-CE2 3.22Å; V179-Y181 WeakPolarHBondContact O-CE2 3.31Å; V179-K207 HydrophobicContact CG1-CG 4.45Å
180H86.6Confident90Very high78 Ų7852 Ų5236%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-95.3135.7179.9-69.676.7000111.4L173 H174 L208L173-H180 HydrophobicContact CD1-CB 4.09Å; H174-H180 CarbonylContact O-C 3.53Å; H174-H180 VanDerWaalsContact O-CA 3.28Å; H174-H180 WeakPolarHBondContact O-CA 3.2Å; H180-L208 HydrophobicContact CB-CB 3.93Å; H180-L208 HydrophobicContact CB-CD2 4.09Å; H180-L208 PolarHBondContact O-N 2.99Å
181Y89.7Confident90Very high37 Ų3754.7 Ų54.715%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-128.8146.2-178.4-56.7-85.7000110.6H174 R176 V179 P205 C206 K207H174-Y181 PolarHBondContact N-O 3.07Å; H174-Y181 PolarHBondContact O-N 3.18Å; R176-Y181 HydrophobicContact CB-CD2 4.25Å; R176-Y181 HydrophobicContact CB-CE2 3.82Å; R176-Y181 HydrophobicContact CG-CD2 4.24Å; R176-Y181 HydrophobicContact CG-CE2 4.27Å; V179-Y181 HydrophobicContact CB-CE2 3.68Å; V179-Y181 HydrophobicContact CG1-CD2 4.48Å; V179-Y181 HydrophobicContact CG1-CE1 3.97Å; V179-Y181 HydrophobicContact CG1-CE2 3.71Å; V179-Y181 VanDerWaalsContact CG1-CZ 3.44Å; V179-Y181 WeakPolarHBondContact CG1-OH 3.15Å; V179-Y181 VanDerWaalsContact O-CD2 3.31Å; V179-Y181 WeakPolarHBondContact O-CD2 3.44Å; V179-Y181 VanDerWaalsContact O-CE2 3.22Å; V179-Y181 WeakPolarHBondContact O-CE2 3.31Å; Y181-P205 HydrophobicContact CD1-CB 3.66Å; Y181-P205 HydrophobicContact CD1-CG 3.72Å; Y181-P205 WeakPolarHBondContact CD1-O 3.36Å; Y181-P205 HydrophobicContact CE1-CB 4.03Å; Y181-P205 HydrophobicContact CE1-CG 3.52Å; Y181-P205 HydrophobicContact CG-CB 4.35Å; Y181-C206 CarbonylContact C-O 3.59Å; Y181-C206 VanDerWaalsContact CA-O 3.28Å; Y181-C206 WeakPolarHBondContact CA-O 3.06Å; Y181-K207 HydrophobicContact CD1-CG 4.11Å; Y181-K207 HydrophobicContact CE1-CG 3.84Å
182V90Very high90.1Very high13 Ų1358.3 Ų58.38%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-106.5126.2176.1178.20000108.5V171 E172 L173 I184 C206 L208 F211V171-V182 HydrophobicContact CG1-CG1 3.9Å; E172-V182 WeakPolarHBondContact O-CA 3.33Å; L173-V182 HydrophobicContact CD1-CG2 4.33Å; V182-I184 HydrophobicContact CG1-CD1 4.45Å; V182-I184 HydrophobicContact CG1-CG1 3.98Å; V182-C206 PolarHBondContact N-O 3.35Å; V182-L208 HydrophobicContact CG2-CB 4.42Å; V182-L208 HydrophobicContact CG2-CD1 3.75Å; V182-F211 HydrophobicContact CB-CB 4.37Å; V182-F211 HydrophobicContact CB-CD1 4.44Å; V182-F211 HydrophobicContact CB-CG 4.24Å; V182-F211 HydrophobicContact CG1-CD1 4.22Å; V182-F211 HydrophobicContact CG1-CD2 4.31Å; V182-F211 HydrophobicContact CG1-CE1 4.34Å; V182-F211 HydrophobicContact CG1-CE2 4.46Å; V182-F211 HydrophobicContact CG1-CG 4.19Å; V182-F211 HydrophobicContact CG1-CZ 4.46Å; V182-F211 HydrophobicContact CG2-CB 4.11Å; V182-F211 HydrophobicContact CG2-CD1 3.94Å; V182-F211 HydrophobicContact CG2-CG 4.09Å
183E92Very high90.4Very high38 Ų3865.4 Ų65.418%0.17835%0.345CS..EExtended strand (participates in β ladder)trans-113.1137166.9-66-170.6-175.400109E172 H174 R176 W185E172-E183 PolarHBondContact N-O 2.73Å; E172-E183 PolarHBondContact O-N 3.46Å; H174-E183 IonicContact NE2-OE2 3.92Å; R176-E183 IonicContact NH2-OE1 3.93Å; R176-E183 PolarHBondContact NH2-OE1 3.07Å; E183-W185 PolarHBondContact OE2-NE1 3.3Å
184I92.7Very high90.8Very high3 Ų362.8 Ų62.82%0.01533%0.331CS..EExtended strand (participates in β ladder)trans-119.5124.6179.1-54-177.9000108W154 I169 M170 V171 V182 Q196 L197 V199 F211W154-I184 HydrophobicContact CD2-CD1 3.92Å; W154-I184 HydrophobicContact CE3-CD1 3.7Å; W154-I184 HydrophobicContact CE3-CG2 4.05Å; W154-I184 HydrophobicContact CH2-CD1 3.86Å; W154-I184 HydrophobicContact CH2-CG2 4.15Å; W154-I184 HydrophobicContact CZ2-CD1 4.08Å; W154-I184 HydrophobicContact CZ3-CD1 3.64Å; W154-I184 HydrophobicContact CZ3-CG1 4.48Å; W154-I184 HydrophobicContact CZ3-CG2 3.44Å; W154-I184 VanDerWaalsContact CZ3-CG2 3.44Å; I169-I184 HydrophobicContact CG1-CG2 4.15Å; M170-I184 CarbonylContact O-C 3.6Å; M170-I184 WeakPolarHBondContact O-CA 3.21Å; V171-I184 HydrophobicContact CG1-CG1 4.47Å; V171-I184 HydrophobicContact CG2-CG2 4.49Å; V182-I184 HydrophobicContact CG1-CD1 4.45Å; V182-I184 HydrophobicContact CG1-CG1 3.98Å; I184-Q196 CarbonylContact O-C 3.5Å; I184-L197 HydrophobicContact CB-CB 4.08Å; I184-L197 HydrophobicContact CG2-CB 3.92Å; I184-L197 HydrophobicContact CG2-CD1 3.81Å; I184-L197 HydrophobicContact CG2-CG 4.23Å; I184-L197 PolarHBondContact O-N 2.92Å; I184-V199 HydrophobicContact CD1-CG2 3.53Å; I184-F211 HydrophobicContact CD1-CE2 3.72Å; I184-F211 HydrophobicContact CD1-CZ 4.21Å
185W94.1Very high91.3Very high54 Ų5462.7 Ų62.721%0.20533%0.334CS..EExtended strand (participates in β ladder)trans-118.7140.2177.9-65.992.2000109.7I169 M170 E172 E183 L194 V195 Q196I169-W185 CarbonylContact C-O 3.51Å; I169-W185 WeakPolarHBondContact CA-O 3.45Å; M170-W185 HydrophobicContact CB-CB 4.22Å; M170-W185 HydrophobicContact CE-CB 4.1Å; M170-W185 WeakPolarHBondContact CE-O 3.48Å; M170-W185 PolarHBondContact N-O 3.03Å; M170-W185 PolarHBondContact O-N 2.84Å; E172-W185 PolarHBondContact OE2-NE1 3.23Å; E183-W185 PolarHBondContact OE2-NE1 3.3Å; W185-L194 HydrophobicContact CB-CD1 4.11Å; W185-L194 HydrophobicContact CB-CD2 4.14Å; W185-L194 HydrophobicContact CB-CG 4.19Å; W185-L194 HydrophobicContact CD2-CD2 3.83Å; W185-L194 HydrophobicContact CD2-CG 4.33Å; W185-L194 HydrophobicContact CE3-CD2 3.4Å; W185-L194 VanDerWaalsContact CE3-CD2 3.4Å; W185-L194 HydrophobicContact CE3-CG 3.62Å; W185-L194 HydrophobicContact CG-CD2 4.19Å; W185-L194 HydrophobicContact CZ3-CD2 3.96Å; W185-L194 HydrophobicContact CZ3-CG 4.31Å; W185-V195 CarbonylContact C-O 3.59Å; W185-V195 WeakPolarHBondContact CA-O 3.01Å; W185-Q196 HydrophobicContact CD2-CB 4.2Å; W185-Q196 HydrophobicContact CD2-CG 4.05Å; W185-Q196 HydrophobicContact CE3-CB 3.71Å; W185-Q196 HydrophobicContact CE3-CG 4.08Å; W185-Q196 HydrophobicContact CH2-CB 3.9Å; W185-Q196 HydrophobicContact CH2-CG 4.07Å; W185-Q196 HydrophobicContact CZ2-CB 4.3Å; W185-Q196 HydrophobicContact CZ2-CG 3.96Å; W185-Q196 HydrophobicContact CZ3-CB 3.59Å; W185-Q196 HydrophobicContact CZ3-CG 4.13Å
186Y93.8Very high91.8Very high0 Ų059.8 Ų59.80%032%0.321CS..EExtended strand (participates in β ladder)trans-131.3130.4-178.9179.3-117.5000110.7L147 L151 L161 P163 C168 I169 P188 V195 L197L147-Y186 HydrophobicContact CD1-CE2 3.9Å; L147-Y186 HydrophobicContact CD2-CD2 4.4Å; L147-Y186 HydrophobicContact CD2-CE2 3.9Å; L147-Y186 HydrophobicContact CG-CE2 4.45Å; L151-Y186 HydrophobicContact CD1-CE1 4.44Å; L161-Y186 HydrophobicContact CB-CD1 4.4Å; L161-Y186 HydrophobicContact CB-CE1 3.94Å; L161-Y186 HydrophobicContact CD2-CD1 4.07Å; L161-Y186 HydrophobicContact CD2-CE1 4.27Å; L161-Y186 VanDerWaalsContact O-CE1 3.24Å; L161-Y186 WeakPolarHBondContact O-CE1 2.98Å; L161-Y186 PolarHBondContact O-OH 3.26Å; P163-Y186 WeakPolarHBondContact CA-OH 3.39Å; P163-Y186 WeakPolarHBondContact CG-OH 3.25Å; C168-Y186 WeakPolarHBondContact O-CA 3.46Å; C168-Y186 VanDerWaalsContact O-CD2 3.3Å; C168-Y186 WeakPolarHBondContact O-CD2 3.05Å; I169-Y186 HydrophobicContact CB-CD2 4.16Å; I169-Y186 HydrophobicContact CD1-CD2 4.41Å; I169-Y186 HydrophobicContact CG1-CD2 4.18Å; Y186-P188 HydrophobicContact CD1-CG 3.95Å; Y186-P188 HydrophobicContact CE1-CB 3.92Å; Y186-P188 HydrophobicContact CE1-CG 3.68Å; Y186-V195 PolarHBondContact N-O 3.39Å; Y186-V195 PolarHBondContact O-N 3.19Å; Y186-L197 HydrophobicContact CG-CD1 4.31Å
187R93.8Very high92.1Very high25 Ų2554.5 Ų54.59%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-111.8109.4172.4-174.4-177.9-178.1-161.55.8107.2S167 C168 M170 G189 L194S167-R187 CarbonylContact C-O 3.53Å; S167-R187 WeakPolarHBondContact CA-O 3.47Å; C168-R187 HydrophobicContact CB-CB 4.42Å; C168-R187 PolarHBondContact N-O 3.25Å; C168-R187 PolarHBondContact O-N 3.06Å; M170-R187 HydrophobicContact CE-CB 4.31Å; R187-G189 WeakPolarHBondContact CG-O 2.72Å; R187-G189 PolarHBondContact NE-O 2.79Å; R187-G189 PolarHBondContact O-N 3.23Å; R187-L194 HydrophobicContact CB-CD1 3.99Å
188P91.9Very high92.2Very high12 Ų1252.7 Ų52.78%0.07828%0.278CS..  trans-62.9-23.2-176.8-23.632.2000114.2D164 S167 Y186 K192 E193D164-P188 WeakPolarHBondContact CA-O 3.44Å; D164-P188 WeakPolarHBondContact CB-O 3.02Å; D164-P188 PolarHBondContact N-O 2.89Å; S167-P188 VanDerWaalsContact CB-O 3.24Å; S167-P188 WeakPolarHBondContact CB-O 3.09Å; Y186-P188 HydrophobicContact CD1-CG 3.95Å; Y186-P188 HydrophobicContact CE1-CB 3.92Å; Y186-P188 HydrophobicContact CE1-CG 3.68Å; P188-K192 HydrophobicContact CB-CB 4.33Å; P188-K192 HydrophobicContact CB-CG 4.3Å; P188-K192 HydrophobicContact CG-CB 4.41Å; P188-E193 WeakPolarHBondContact CD-O 2.69Å
189G91.9Very high92.3Very high0 Ų048.2 Ų48.20%025%0.247CC..SBendtrans173.9-174.3176.600000113.6R187 G191 K192R187-G189 WeakPolarHBondContact CG-O 2.72Å; R187-G189 PolarHBondContact NE-O 2.79Å; R187-G189 PolarHBondContact O-N 3.23Å; G189-G191 PolarHBondContact O-N 2.75Å; G189-K192 WeakPolarHBondContact O-CB 2.98Å; G189-K192 PolarHBondContact O-N 3.19Å
190H91.7Very high92.5Very high80 Ų8051.8 Ų51.837%0.3726%0.258SS..THydrogen-bonded Turntrans-59134.9176.6-171.574.2000111.4E7 L10 S166 K192E7-H190 HydrophobicContact CB-CB 4.34Å; E7-H190 HydrophobicContact CG-CB 3.88Å; L10-H190 VanDerWaalsContact CD1-CE1 3.41Å; L10-H190 WeakPolarHBondContact CD1-CE1 3.15Å; S166-H190 WeakPolarHBondContact OG-CB 3.13Å; S166-H190 PolarHBondContact OG-N 2.69Å; H190-K192 PolarHBondContact O-N 2.79Å; H190-K192 VanDerWaalsContact O-N 3.16Å
191G91.4Very high92.8Very high67 Ų6754.5 Ų54.569%0.69128%0.275SS*.THydrogen-bonded Turntrans69.8-0.6-17800000116.3G189G189-G191 PolarHBondContact O-N 2.75Å
192K92.6Very high93Very high107 Ų10753.4 Ų53.447%0.46527%0.273SS..PPolyproline II helixtrans-85.6149.4176.1-56.8-69.3-174.2165.50111.5D164 P188 G189 H190D164-K192 WeakPolarHBondContact OD2-CE 3.33Å; D164-K192 IonicContact OD2-NZ 3.41Å; P188-K192 HydrophobicContact CB-CB 4.33Å; P188-K192 HydrophobicContact CB-CG 4.3Å; P188-K192 HydrophobicContact CG-CB 4.41Å; G189-K192 WeakPolarHBondContact O-CB 2.98Å; G189-K192 PolarHBondContact O-N 3.19Å; H190-K192 PolarHBondContact O-N 2.79Å; H190-K192 VanDerWaalsContact O-N 3.16Å
193E93.1Very high93.1Very high170 Ų17060.2 Ų60.279%0.79430%0.301SS*.PPolyproline II helixtrans-66.6152175.3-66.4-173.5163.500111.8P188P188-E193 WeakPolarHBondContact CD-O 2.69Å
194L94.7Very high93.2Very high53 Ų5363.3 Ų63.328%0.27732%0.316SS..PPolyproline II helixtrans-81.4126.8176.6-167.174.1000109.4F14 M170 W185 R187F14-L194 HydrophobicContact CZ-CD1 4.27Å; M170-L194 HydrophobicContact CE-CD1 3.48Å; M170-L194 VanDerWaalsContact CE-CD1 3.48Å; M170-L194 HydrophobicContact SD-CD1 4.34Å; W185-L194 HydrophobicContact CB-CD1 4.11Å; W185-L194 HydrophobicContact CB-CD2 4.14Å; W185-L194 HydrophobicContact CB-CG 4.19Å; W185-L194 HydrophobicContact CD2-CD2 3.83Å; W185-L194 HydrophobicContact CD2-CG 4.33Å; W185-L194 HydrophobicContact CE3-CD2 3.4Å; W185-L194 VanDerWaalsContact CE3-CD2 3.4Å; W185-L194 HydrophobicContact CE3-CG 3.62Å; W185-L194 HydrophobicContact CG-CD2 4.19Å; W185-L194 HydrophobicContact CZ3-CD2 3.96Å; W185-L194 HydrophobicContact CZ3-CG 4.31Å; R187-L194 HydrophobicContact CB-CD1 3.99Å
195V95.4Very high93.2Very high54 Ų5466 Ų6633%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-108.5128.5179.8-176.10000109.1L161 W185 Y186 L197L161-V195 HydrophobicContact CD2-CG1 4.35Å; L161-V195 HydrophobicContact CD2-CG2 4.26Å; W185-V195 CarbonylContact C-O 3.59Å; W185-V195 WeakPolarHBondContact CA-O 3.01Å; Y186-V195 PolarHBondContact N-O 3.39Å; Y186-V195 PolarHBondContact O-N 3.19Å; V195-L197 HydrophobicContact CG1-CD2 4.32Å; V195-L197 PolarHBondContact O-N 2.94Å
196Q95.6Very high93.2Very high65 Ų6563.7 Ų63.730%0.30433%0.326SS..EExtended strand (participates in β ladder)trans-80.1118.4170.3-159.5179.430.300109.2I184 W185 K198I184-Q196 CarbonylContact O-C 3.5Å; W185-Q196 HydrophobicContact CD2-CB 4.2Å; W185-Q196 HydrophobicContact CD2-CG 4.05Å; W185-Q196 HydrophobicContact CE3-CB 3.71Å; W185-Q196 HydrophobicContact CE3-CG 4.08Å; W185-Q196 HydrophobicContact CH2-CB 3.9Å; W185-Q196 HydrophobicContact CH2-CG 4.07Å; W185-Q196 HydrophobicContact CZ2-CB 4.3Å; W185-Q196 HydrophobicContact CZ2-CG 3.96Å; W185-Q196 HydrophobicContact CZ3-CB 3.59Å; W185-Q196 HydrophobicContact CZ3-CG 4.13Å; Q196-K198 VanDerWaalsContact OE1-CE 3.26Å
197L94.2Very high93.2Very high10 Ų1068.2 Ų68.25%0.05235%0.345CS..EExtended strand (participates in β ladder)trans-83.8136.4177-58.4-177.4000110.2L151 W154 V156 L161 I169 I184 Y186 V195L151-L197 HydrophobicContact CD2-CD1 3.49Å; L151-L197 VanDerWaalsContact CD2-CD1 3.49Å; L151-L197 HydrophobicContact CD2-CD2 4.33Å; W154-L197 HydrophobicContact CE3-CD1 4.42Å; V156-L197 HydrophobicContact CG2-CD1 4.19Å; V156-L197 HydrophobicContact CG2-CD2 4.31Å; L161-L197 HydrophobicContact CD1-CD2 3.94Å; I169-L197 HydrophobicContact CD1-CD1 4.09Å; I169-L197 HydrophobicContact CG1-CD1 4.42Å; I184-L197 HydrophobicContact CB-CB 4.08Å; I184-L197 HydrophobicContact CG2-CB 3.92Å; I184-L197 HydrophobicContact CG2-CD1 3.81Å; I184-L197 HydrophobicContact CG2-CG 4.23Å; I184-L197 PolarHBondContact O-N 2.92Å; Y186-L197 HydrophobicContact CG-CD1 4.31Å; V195-L197 HydrophobicContact CG1-CD2 4.32Å; V195-L197 PolarHBondContact O-N 2.94Å
198K94.6Very high92.9Very high83 Ų8369.7 Ų69.736%0.36135%0.354SS..  trans-115103.8-179.6-59.6-65.8175.8-170.60108.7V156 Q196 K200 E204V156-K198 WeakPolarHBondContact CG1-O 3.31Å; Q196-K198 VanDerWaalsContact OE1-CE 3.26Å; K198-K200 PolarHBondContact O-N 3.41Å; K198-E204 HydrophobicContact CD-CG 4.04Å; K198-E204 WeakPolarHBondContact CD-OE1 3.33Å; K198-E204 IonicContact NZ-OE1 3.54Å; K198-E204 IonicContact NZ-OE2 3.68Å; K198-E204 PolarHBondContact NZ-OE2 2.78Å
199V91.7Very high92.8Very high9 Ų977 Ų776%0.05539%0.388CS..  trans-60.7126.7-175.5-177.80000109.2W154 I184 D201 C202 F211 I214W154-V199 HydrophobicContact CB-CG1 4.19Å; W154-V199 HydrophobicContact CB-CG2 4.26Å; W154-V199 HydrophobicContact CG-CG1 4.42Å; W154-V199 HydrophobicContact CG-CG2 4.22Å; I184-V199 HydrophobicContact CD1-CG2 3.53Å; V199-D201 PolarHBondContact O-N 3.19Å; V199-C202 HydrophobicContact CB-CB 3.99Å; V199-C202 HydrophobicContact CG1-CB 4.38Å; V199-C202 PolarHBondContact O-N 3.21Å; V199-C202 VanDerWaalsContact O-N 3.08Å; V199-F211 HydrophobicContact CG2-CD2 4.06Å; V199-F211 HydrophobicContact CG2-CE2 3.98Å; V199-I214 HydrophobicContact CG1-CD1 4.15Å; V199-I214 HydrophobicContact CG1-CG2 3.97Å
200K91.4Very high92.8Very high130 Ų13079.7 Ų79.757%0.56540%0.4SS*.THydrogen-bonded Turntrans-56.5134.9178.2-173.2179.6176.1-179.90109.9W154 K198 C202W154-K200 WeakPolarHBondContact O-CB 3.22Å; W154-K200 PolarHBondContact O-N 2.76Å; K198-K200 PolarHBondContact O-N 3.41Å; K200-C202 PolarHBondContact O-N 2.66Å
201D92Very high92.7Very high135 Ų13576 Ų7672%0.72238%0.383SS*.THydrogen-bonded Turntrans66.48.5-178.5-49.3-41.4000115.8V199V199-D201 PolarHBondContact O-N 3.19Å
202C93.5Very high92.4Very high14 Ų1474.8 Ų74.810%0.09536%0.362CS..PPolyproline II helixtrans-94131.2167.6-157.10000110.9V199 K200 C206 I214V199-C202 HydrophobicContact CB-CB 3.99Å; V199-C202 HydrophobicContact CG1-CB 4.38Å; V199-C202 PolarHBondContact O-N 3.21Å; V199-C202 VanDerWaalsContact O-N 3.08Å; K200-C202 PolarHBondContact O-N 2.66Å; C202-C206 HydrophobicContact CB-CB 3.98Å; C202-C206 WeakPolarHBondContact CB-SG 3.05Å; C202-C206 WeakPolarHBondContact SG-CA 3.39Å; C202-C206 WeakPolarHBondContact SG-CB 3.26Å; C202-C206 CovalentContact SG-SG 2.03Å; C202-C206 PolarHBondContact SG-SG 3Å; C202-I214 HydrophobicContact CB-CD1 3.59Å
203K93.4Very high92.1Very high155 Ų15572 Ų7267%0.67436%0.359SS*.PPolyproline II helixtrans-78.1135.2-179.3-66.5177.1-178.8173.20110.5P205 C206 E210K203-P205 CarbonylContact O-C 3.55Å; K203-C206 WeakPolarHBondContact O-CA 3.29Å; K203-C206 PolarHBondContact O-N 2.98Å; K203-E210 WeakPolarHBondContact CB-OE2 3.17Å; K203-E210 PolarHBondContact N-OE2 2.59Å
204E93.2Very high91.7Very high103 Ų10364.6 Ų64.648%0.48133%0.325SS..SBendtrans-81.4131.5178.2-70.7-65.8137.400112.3K198K198-E204 HydrophobicContact CD-CG 4.04Å; K198-E204 WeakPolarHBondContact CD-OE1 3.33Å; K198-E204 IonicContact NZ-OE1 3.54Å; K198-E204 IonicContact NZ-OE2 3.68Å; K198-E204 PolarHBondContact NZ-OE2 2.78Å
205P93Very high90.9Very high61 Ų6163 Ų6340%0.39632%0.319SS..SBendcis-71.3133.7-6.829.5-34.7000112.6Y181 K203 K207Y181-P205 HydrophobicContact CD1-CB 3.66Å; Y181-P205 HydrophobicContact CD1-CG 3.72Å; Y181-P205 WeakPolarHBondContact CD1-O 3.36Å; Y181-P205 HydrophobicContact CE1-CB 4.03Å; Y181-P205 HydrophobicContact CE1-CG 3.52Å; Y181-P205 HydrophobicContact CG-CB 4.35Å; K203-P205 CarbonylContact O-C 3.55Å; P205-K207 PolarHBondContact O-N 3.21Å
206C93.9Very high89.9Confident5 Ų565.7 Ų65.73%0.03433%0.328CS..  trans-63.7106.1-172.4-175.60000111.5Y181 V182 C202 K203Y181-C206 CarbonylContact C-O 3.59Å; Y181-C206 VanDerWaalsContact CA-O 3.28Å; Y181-C206 WeakPolarHBondContact CA-O 3.06Å; V182-C206 PolarHBondContact N-O 3.35Å; C202-C206 HydrophobicContact CB-CB 3.98Å; C202-C206 WeakPolarHBondContact CB-SG 3.05Å; C202-C206 WeakPolarHBondContact SG-CA 3.39Å; C202-C206 WeakPolarHBondContact SG-CB 3.26Å; C202-C206 CovalentContact SG-SG 2.03Å; C202-C206 PolarHBondContact SG-SG 3Å; K203-C206 WeakPolarHBondContact O-CA 3.29Å; K203-C206 PolarHBondContact O-N 2.98Å
207K93.7Very high88.8Confident94 Ų9469.7 Ų69.741%0.40934%0.344SS..BIsolated β-bridgetrans-68.3142.6178.7-70.4178.5180177.70110.3V179 Y181 P205 Q209 E210 F211V179-K207 HydrophobicContact CG1-CG 4.45Å; Y181-K207 HydrophobicContact CD1-CG 4.11Å; Y181-K207 HydrophobicContact CE1-CG 3.84Å; P205-K207 PolarHBondContact O-N 3.21Å; K207-Q209 PolarHBondContact O-N 3.08Å; K207-Q209 VanDerWaalsContact O-N 3.15Å; K207-E210 HydrophobicContact CB-CB 4.48Å; K207-E210 HydrophobicContact CB-CG 4.24Å; K207-E210 PolarHBondContact O-N 3.05Å; K207-F211 PolarHBondContact O-N 3.04Å
208L88.9Confident87.5Confident56 Ų5673.1 Ų73.129%0.29336%0.359SS..Hα-helixtrans-51.7-42.7179.4177.463000112.7L173 H180 V182 E210 F211 V212L173-L208 HydrophobicContact CD1-CB 4.48Å; L173-L208 HydrophobicContact CD1-CD1 4.1Å; L173-L208 HydrophobicContact CD1-CD2 4.15Å; L173-L208 HydrophobicContact CD1-CG 4.48Å; H180-L208 HydrophobicContact CB-CB 3.93Å; H180-L208 HydrophobicContact CB-CD2 4.09Å; H180-L208 PolarHBondContact O-N 2.99Å; V182-L208 HydrophobicContact CG2-CB 4.42Å; V182-L208 HydrophobicContact CG2-CD1 3.75Å; L208-E210 PolarHBondContact O-N 3.39Å; L208-F211 PolarHBondContact O-N 3.34Å; L208-V212 HydrophobicContact CD1-CG2 4.01Å; L208-V212 HydrophobicContact CG-CG2 4.33Å; L208-V212 WeakPolarHBondContact O-CB 3.44Å; L208-V212 VanDerWaalsContact O-CG2 3.25Å; L208-V212 WeakPolarHBondContact O-CG2 3.01Å; L208-V212 PolarHBondContact O-N 2.69Å
209Q88.2Confident86Confident167 Ų16770.2 Ų70.278%0.7835%0.35SS*.Hα-helixtrans-65.4-37.5179.4-68.1178.1-10.900113K207 A213K207-Q209 PolarHBondContact O-N 3.08Å; K207-Q209 VanDerWaalsContact O-N 3.15Å; Q209-A213 WeakPolarHBondContact O-CB 3.5Å; Q209-A213 PolarHBondContact O-N 2.76Å
210E91.9Very high84.2Confident55 Ų5573.8 Ų73.826%0.25738%0.376SS..Hα-helixtrans-68.7-43.9176.1-66.4-177.3-167.300110.3K203 K207 L208 A213 I214K203-E210 WeakPolarHBondContact CB-OE2 3.17Å; K203-E210 PolarHBondContact N-OE2 2.59Å; K207-E210 HydrophobicContact CB-CB 4.48Å; K207-E210 HydrophobicContact CB-CG 4.24Å; K207-E210 PolarHBondContact O-N 3.05Å; L208-E210 PolarHBondContact O-N 3.39Å; E210-A213 PolarHBondContact O-N 2.9Å; E210-I214 VanDerWaalsContact O-CG1 3.31Å; E210-I214 WeakPolarHBondContact O-CG1 3.48Å; E210-I214 PolarHBondContact O-N 3.34Å
211F90.5Very high82.7Confident4 Ų469.7 Ų69.72%0.01836%0.362CS..Hα-helixtrans-58.6-48.9175.2-179.7-107.6000112.2L132 W154 V182 I184 V199 K207 L208 A213 I214 A215L132-F211 HydrophobicContact CD1-CE1 4.23Å; L132-F211 HydrophobicContact CD2-CD1 4.2Å; L132-F211 HydrophobicContact CD2-CE1 3.95Å; L132-F211 HydrophobicContact CG-CE1 4.46Å; W154-F211 HydrophobicContact CZ2-CE2 4.46Å; W154-F211 HydrophobicContact CZ2-CZ 4.08Å; W154-F211 AromaticContact NE1-CE2 3.84Å; W154-F211 AromaticContact NE1-CZ 3.97Å; V182-F211 HydrophobicContact CB-CB 4.37Å; V182-F211 HydrophobicContact CB-CD1 4.44Å; V182-F211 HydrophobicContact CB-CG 4.24Å; V182-F211 HydrophobicContact CG1-CD1 4.22Å; V182-F211 HydrophobicContact CG1-CD2 4.31Å; V182-F211 HydrophobicContact CG1-CE1 4.34Å; V182-F211 HydrophobicContact CG1-CE2 4.46Å; V182-F211 HydrophobicContact CG1-CG 4.19Å; V182-F211 HydrophobicContact CG1-CZ 4.46Å; V182-F211 HydrophobicContact CG2-CB 4.11Å; V182-F211 HydrophobicContact CG2-CD1 3.94Å; V182-F211 HydrophobicContact CG2-CG 4.09Å; I184-F211 HydrophobicContact CD1-CE2 3.72Å; I184-F211 HydrophobicContact CD1-CZ 4.21Å; V199-F211 HydrophobicContact CG2-CD2 4.06Å; V199-F211 HydrophobicContact CG2-CE2 3.98Å; K207-F211 PolarHBondContact O-N 3.04Å; L208-F211 PolarHBondContact O-N 3.34Å; F211-A213 PolarHBondContact O-N 3.36Å; F211-I214 PolarHBondContact O-N 2.88Å; F211-A215 WeakPolarHBondContact O-CB 3.29Å; F211-A215 PolarHBondContact O-N 3.09Å
212V84.3Confident81.4Confident41 Ų4167.9 Ų67.925%0.24835%0.352CS..Hα-helixtrans-60.1-45.6177.9170.50000110.5L132 L208 I214 A215 E216L132-V212 HydrophobicContact CD2-CG2 3.93Å; L208-V212 HydrophobicContact CD1-CG2 4.01Å; L208-V212 HydrophobicContact CG-CG2 4.33Å; L208-V212 WeakPolarHBondContact O-CB 3.44Å; L208-V212 VanDerWaalsContact O-CG2 3.25Å; L208-V212 WeakPolarHBondContact O-CG2 3.01Å; L208-V212 PolarHBondContact O-N 2.69Å; V212-I214 VanDerWaalsContact C-N 3.25Å; V212-I214 PolarHBondContact O-N 2.73Å; V212-A215 PolarHBondContact O-N 2.99Å; V212-E216 HydrophobicContact CG1-CG 4.07Å; V212-E216 WeakPolarHBondContact O-CB 3.45Å; V212-E216 VanDerWaalsContact O-CG 3.3Å; V212-E216 WeakPolarHBondContact O-CG 3.01Å; V212-E216 PolarHBondContact O-N 3.31Å
213A86.6Confident80Confident48 Ų4869.3 Ų69.340%0.39736%0.358SS..Hα-helixtrans-62.4-31.8178.100000113Q209 E210 F211 K217Q209-A213 WeakPolarHBondContact O-CB 3.5Å; Q209-A213 PolarHBondContact O-N 2.76Å; E210-A213 PolarHBondContact O-N 2.9Å; F211-A213 PolarHBondContact O-N 3.36Å; A213-K217 WeakPolarHBondContact O-CG 3.34Å
214I85.1Confident78.5Confident15 Ų1565 Ų658%0.07735%0.345CS..Hα-helixtrans-71.8-50.7172.5-66.8162.2000109.9V199 C202 E210 F211 V212 E216 K217 F218V199-I214 HydrophobicContact CG1-CD1 4.15Å; V199-I214 HydrophobicContact CG1-CG2 3.97Å; C202-I214 HydrophobicContact CB-CD1 3.59Å; E210-I214 VanDerWaalsContact O-CG1 3.31Å; E210-I214 WeakPolarHBondContact O-CG1 3.48Å; E210-I214 PolarHBondContact O-N 3.34Å; F211-I214 PolarHBondContact O-N 2.88Å; V212-I214 VanDerWaalsContact C-N 3.25Å; V212-I214 PolarHBondContact O-N 2.73Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.02Å; I214-K217 WeakPolarHBondContact O-CB 2.88Å; I214-K217 PolarHBondContact O-N 3.49Å; I214-K217 VanDerWaalsContact O-N 3.16Å; I214-F218 HydrophobicContact CG2-CE2 4.04Å; I214-F218 VanDerWaalsContact O-CD2 3.22Å; I214-F218 WeakPolarHBondContact O-CD2 3.13Å
215A77.9Confident77.3Confident18 Ų1862 Ų6215%0.14934%0.338CS..Hα-helixtrans-59.1-39.4-179.600000112.3F211 V212 K217 F218 A219F211-A215 WeakPolarHBondContact O-CB 3.29Å; F211-A215 PolarHBondContact O-N 3.09Å; V212-A215 PolarHBondContact O-N 2.99Å; A215-K217 VanDerWaalsContact C-N 3.28Å; A215-K217 PolarHBondContact O-N 2.93Å; A215-F218 PolarHBondContact O-N 2.73Å; A215-F218 VanDerWaalsContact O-N 3.11Å; A215-A219 WeakPolarHBondContact O-CB 2.84Å; A215-A219 PolarHBondContact O-N 2.8Å
216E73.7Confident75.9Confident112 Ų11261.5 Ų61.552%0.52333%0.332SS..Hα-helixtrans-62.7-30.7178.5-79.4-178.8162.800113.3V212 I214 F218 A219 S220V212-E216 HydrophobicContact CG1-CG 4.07Å; V212-E216 WeakPolarHBondContact O-CB 3.45Å; V212-E216 VanDerWaalsContact O-CG 3.3Å; V212-E216 WeakPolarHBondContact O-CG 3.01Å; V212-E216 PolarHBondContact O-N 3.31Å; I214-E216 VanDerWaalsContact C-N 3.3Å; I214-E216 PolarHBondContact O-N 3.02Å; E216-F218 PolarHBondContact O-N 3.25Å; E216-A219 PolarHBondContact O-N 3.5Å; E216-S220 WeakPolarHBondContact O-CB 2.84Å; E216-S220 PolarHBondContact O-N 3.02Å; E216-S220 VanDerWaalsContact O-N 3.09Å; E216-S220 PolarHBondContact O-OG 3.22Å
217K73.7Confident74.5Confident148 Ų14861.4 Ų61.464%0.64333%0.331SS*.Hα-helixtrans-60.8-37.4174.9-68.2170-174.7175.10111.3A213 I214 A215A213-K217 WeakPolarHBondContact O-CG 3.34Å; I214-K217 WeakPolarHBondContact O-CB 2.88Å; I214-K217 PolarHBondContact O-N 3.49Å; I214-K217 VanDerWaalsContact O-N 3.16Å; A215-K217 VanDerWaalsContact C-N 3.28Å; A215-K217 PolarHBondContact O-N 2.93Å
218F67.1Low73.1Confident82 Ų8260.9 Ų60.936%0.3633%0.33SS..Hα-helixtrans-85.8-34.1178.1-57.5-76.9000111.5D153 I214 A215 E216 S220D153-F218 HydrophobicContact CB-CG 4.34Å; D153-F218 WeakPolarHBondContact O-CE2 2.87Å; D153-F218 VanDerWaalsContact O-CZ 3.26Å; D153-F218 WeakPolarHBondContact O-CZ 3.09Å; I214-F218 HydrophobicContact CG2-CE2 4.04Å; I214-F218 VanDerWaalsContact O-CD2 3.22Å; I214-F218 WeakPolarHBondContact O-CD2 3.13Å; A215-F218 PolarHBondContact O-N 2.73Å; A215-F218 VanDerWaalsContact O-N 3.11Å; E216-F218 PolarHBondContact O-N 3.25Å; F218-S220 VanDerWaalsContact C-N 3.32Å; F218-S220 PolarHBondContact O-N 2.75Å
219A62.5Low72.1Confident22 Ų2263.9 Ų63.918%0.18234%0.341CS..Hα-helixtrans-79.6-0.2-179.200000115.2K126 A215 E216K126-A219 WeakPolarHBondContact CD-O 2.91Å; K126-A219 VanDerWaalsContact CE-C 3.47Å; K126-A219 WeakPolarHBondContact CE-O 3.46Å; K126-A219 WeakPolarHBondContact CG-O 3.3Å; A215-A219 WeakPolarHBondContact O-CB 2.84Å; A215-A219 PolarHBondContact O-N 2.8Å; E216-A219 PolarHBondContact O-N 3.5Å
220S54.2Low70.8Confident84 Ų8460.1 Ų60.159%0.58732%0.322SS*.THydrogen-bonded Turntrans-103.64.9-172.9-64.30000117.5K126 E216 F218K126-S220 WeakPolarHBondContact CE-O 3.44Å; K126-S220 PolarHBondContact NZ-O 3.2Å; E216-S220 WeakPolarHBondContact O-CB 2.84Å; E216-S220 PolarHBondContact O-N 3.02Å; E216-S220 VanDerWaalsContact O-N 3.09Å; E216-S220 PolarHBondContact O-OG 3.22Å; F218-S220 VanDerWaalsContact C-N 3.32Å; F218-S220 PolarHBondContact O-N 2.75Å
221V60.1Low69.3Low44 Ų4462.5 Ų62.527%0.26733%0.333SS..  trans-75.1119.4176.7176.90000118.6K126 I223 D226K126-V221 HydrophobicContact CB-CB 3.66Å; K126-V221 HydrophobicContact CB-CG1 4.22Å; K126-V221 WeakPolarHBondContact CB-O 3.36Å; K126-V221 WeakPolarHBondContact CD-O 3.4Å; K126-V221 VanDerWaalsContact CE-C 3.43Å; K126-V221 WeakPolarHBondContact CE-O 3.45Å; K126-V221 HydrophobicContact CG-CB 3.72Å; K126-V221 VanDerWaalsContact CG-N 3.33Å; K126-V221 WeakPolarHBondContact CG-O 3.05Å; K126-V221 PolarHBondContact NZ-O 2.01Å; V221-I223 PolarHBondContact O-N 2.97Å; V221-D226 WeakPolarHBondContact CG1-OD2 3.27Å
222N64.4Low68.1Low97 Ų9770.4 Ų70.452%0.51937%0.367SS..  trans-72.696-177.8-175.4-7.6000113.2T224 A225 D226N222-T224 VanDerWaalsContact C-N 3.3Å; N222-T224 PolarHBondContact O-N 3.1Å; N222-T224 PolarHBondContact OD1-N 2.71Å; N222-A225 HydrophobicContact CB-CB 3.98Å; N222-A225 WeakPolarHBondContact O-CB 3.47Å; N222-A225 PolarHBondContact O-N 3.32Å; N222-A225 PolarHBondContact OD1-N 3Å; N222-D226 PolarHBondContact O-N 3.46Å; N222-D226 VanDerWaalsContact O-N 3.07Å
223I63Low67.1Low45 Ų4574 Ų7423%0.23138%0.381CS..Hα-helixtrans-55.9-40.1-174.1-162.2163.3000113.8A86 V221 A225 D226 C227A86-I223 WeakPolarHBondContact O-CD1 3.14Å; V221-I223 PolarHBondContact O-N 2.97Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 3.07Å; I223-D226 PolarHBondContact O-N 3.02Å; I223-C227 PolarHBondContact O-N 3.21Å; I223-C227 PolarHBondContact O-SG 3.34Å
224T63Low65.3Low63 Ų6374.3 Ų74.339%0.38739%0.39SS..Hα-helixtrans-63.3-43.1178.6-53.30000110.9N222 D226 C227 E228N222-T224 VanDerWaalsContact C-N 3.3Å; N222-T224 PolarHBondContact O-N 3.1Å; N222-T224 PolarHBondContact OD1-N 2.71Å; T224-D226 PolarHBondContact O-N 2.94Å; T224-C227 WeakPolarHBondContact O-CB 3.5Å; T224-C227 PolarHBondContact O-N 3.07Å; T224-E228 WeakPolarHBondContact O-CG 3.4Å; T224-E228 PolarHBondContact O-N 3.06Å; T224-E228 VanDerWaalsContact O-N 3.12Å
225A67.1Low63.6Low41 Ų4177.3 Ų77.334%0.33941%0.406SS..Hα-helixtrans-67.1-36178.800000112.4N222 I223 E228 K229N222-A225 HydrophobicContact CB-CB 3.98Å; N222-A225 WeakPolarHBondContact O-CB 3.47Å; N222-A225 PolarHBondContact O-N 3.32Å; N222-A225 PolarHBondContact OD1-N 3Å; I223-A225 VanDerWaalsContact C-N 3.34Å; I223-A225 PolarHBondContact O-N 3.07Å; A225-E228 PolarHBondContact O-N 2.95Å; A225-K229 PolarHBondContact O-N 2.81Å; A225-K229 VanDerWaalsContact O-N 3.11Å
226D65.1Low62.2Low51 Ų5185.7 Ų85.727%0.27344%0.439SS..Hα-helixtrans-68.6-37.9176-69.7-36.9000112.1V221 N222 I223 T224 K229 F230V221-D226 WeakPolarHBondContact CG1-OD2 3.27Å; N222-D226 PolarHBondContact O-N 3.46Å; N222-D226 VanDerWaalsContact O-N 3.07Å; I223-D226 PolarHBondContact O-N 3.02Å; T224-D226 PolarHBondContact O-N 2.94Å; D226-K229 WeakPolarHBondContact O-CB 3.37Å; D226-K229 PolarHBondContact O-N 3.37Å; D226-K229 VanDerWaalsContact O-N 3.14Å; D226-F230 HydrophobicContact CB-CE2 4.49Å; D226-F230 VanDerWaalsContact O-CD2 3.27Å; D226-F230 WeakPolarHBondContact O-CD2 3.41Å; D226-F230 WeakPolarHBondContact O-CG 3.35Å; D226-F230 PolarHBondContact O-N 3.47Å
227C63.2Low60.9Low2 Ų283.1 Ų83.11%0.01443%0.426CS..Hα-helixtrans-58.8-47173-70.30000112.8N87 C88 Y92 I223 T224 K229 F230 E231N87-C227 PolarHBondContact O-SG 3.16Å; C88-C227 WeakPolarHBondContact CA-SG 3.26Å; C88-C227 HydrophobicContact CB-CB 3.76Å; C88-C227 WeakPolarHBondContact CB-SG 3.47Å; C88-C227 WeakPolarHBondContact SG-CA 3.32Å; C88-C227 WeakPolarHBondContact SG-CB 3.32Å; C88-C227 CovalentContact SG-SG 2.01Å; C88-C227 PolarHBondContact SG-SG 3.34Å; Y92-C227 HydrophobicContact CD2-CB 4.43Å; I223-C227 PolarHBondContact O-N 3.21Å; I223-C227 PolarHBondContact O-SG 3.34Å; T224-C227 WeakPolarHBondContact O-CB 3.5Å; T224-C227 PolarHBondContact O-N 3.07Å; C227-K229 PolarHBondContact O-N 2.85Å; C227-F230 PolarHBondContact O-N 3.07Å; C227-F230 VanDerWaalsContact O-N 3.16Å; C227-E231 PolarHBondContact O-N 3.2Å
228E65.9Low59.3Low84 Ų8479.4 Ų79.439%0.39342%0.415SS..Hα-helixtrans-60.8-34.8175.2-69.7172.4-172.500111.8T224 A225 E231 K232T224-E228 WeakPolarHBondContact O-CG 3.4Å; T224-E228 PolarHBondContact O-N 3.06Å; T224-E228 VanDerWaalsContact O-N 3.12Å; A225-E228 PolarHBondContact O-N 2.95Å; E228-E231 PolarHBondContact O-N 3.11Å; E228-K232 WeakPolarHBondContact O-CG 3.03Å; E228-K232 PolarHBondContact O-N 3.12Å; E228-K232 VanDerWaalsContact O-N 3.13Å
229K66.6Low57.9Low118 Ų11882.6 Ų82.651%0.51344%0.436SS..Hα-helixtrans-66.4-39.4176-171.1-179.5-179.6178.60112A225 D226 C227 E231 K232 Q233A225-K229 PolarHBondContact O-N 2.81Å; A225-K229 VanDerWaalsContact O-N 3.11Å; D226-K229 WeakPolarHBondContact O-CB 3.37Å; D226-K229 PolarHBondContact O-N 3.37Å; D226-K229 VanDerWaalsContact O-N 3.14Å; C227-K229 PolarHBondContact O-N 2.85Å; K229-E231 VanDerWaalsContact C-N 3.34Å; K229-K232 PolarHBondContact O-N 2.93Å; K229-Q233 WeakPolarHBondContact O-CG 3.36Å; K229-Q233 PolarHBondContact O-N 3.14Å; K229-Q233 VanDerWaalsContact O-N 3.13Å
230F62Low56.9Low89 Ų8986.9 Ų86.939%0.3945%0.453SS..Hα-helixtrans-64.7-39.2176.9-64.6-43.6000112.2D226 C227 Q233 L235D226-F230 HydrophobicContact CB-CE2 4.49Å; D226-F230 VanDerWaalsContact O-CD2 3.27Å; D226-F230 WeakPolarHBondContact O-CD2 3.41Å; D226-F230 WeakPolarHBondContact O-CG 3.35Å; D226-F230 PolarHBondContact O-N 3.47Å; C227-F230 PolarHBondContact O-N 3.07Å; C227-F230 VanDerWaalsContact O-N 3.16Å; F230-Q233 WeakPolarHBondContact O-CB 3.44Å; F230-Q233 PolarHBondContact O-N 3.48Å; F230-Q233 VanDerWaalsContact O-N 3.16Å; F230-L235 HydrophobicContact CB-CD1 3.98Å; F230-L235 HydrophobicContact CD1-CD1 3.9Å; F230-L235 HydrophobicContact CG-CD1 4.24Å; F230-L235 WeakPolarHBondContact O-CB 3.5Å; F230-L235 PolarHBondContact O-N 3.34Å
231E58.8Low55.8Low105 Ų10592 Ų9249%0.49146%0.464SS..Hα-helixtrans-61.3-46.4174.1-175.6178.3-15400111.4C227 E228 K229 Q233 G234C227-E231 PolarHBondContact O-N 3.2Å; E228-E231 PolarHBondContact O-N 3.11Å; K229-E231 VanDerWaalsContact C-N 3.34Å; E231-Q233 PolarHBondContact O-N 3.47Å; E231-Q233 VanDerWaalsContact O-N 3.15Å; E231-G234 PolarHBondContact O-N 3.39Å
232K66.2Low54.3Low169 Ų16997.2 Ų97.274%0.73549%0.49SS*.Hα-helixtrans-60.2-24.3175.9-71.1171.9-174.9171.50113.2E228 K229 G234E228-K232 WeakPolarHBondContact O-CG 3.03Å; E228-K232 PolarHBondContact O-N 3.12Å; E228-K232 VanDerWaalsContact O-N 3.13Å; K229-K232 PolarHBondContact O-N 2.93Å; K232-G234 VanDerWaalsContact C-N 3.26Å; K232-G234 PolarHBondContact O-N 3.32Å
233Q62.2Low52.6Low116 Ų116102.2 Ų102.254%0.54252%0.524SS..THydrogen-bonded Turntrans-84.15.6174.8-70.4177.6-1600113.5K229 F230 E231 L235K229-Q233 WeakPolarHBondContact O-CG 3.36Å; K229-Q233 PolarHBondContact O-N 3.14Å; K229-Q233 VanDerWaalsContact O-N 3.13Å; F230-Q233 WeakPolarHBondContact O-CB 3.44Å; F230-Q233 PolarHBondContact O-N 3.48Å; F230-Q233 VanDerWaalsContact O-N 3.16Å; E231-Q233 PolarHBondContact O-N 3.47Å; E231-Q233 VanDerWaalsContact O-N 3.15Å; Q233-L235 VanDerWaalsContact C-N 3.27Å; Q233-L235 PolarHBondContact O-N 3.13Å
234G49.8Very low52.1Low56 Ų56105.1 Ų105.158%0.57754%0.539SS*.THydrogen-bonded Turntrans75.213.6177.200000114.1E231 K232 K236E231-G234 PolarHBondContact O-N 3.39Å; K232-G234 VanDerWaalsContact C-N 3.26Å; K232-G234 PolarHBondContact O-N 3.32Å; G234-K236 VanDerWaalsContact C-N 3.34Å; G234-K236 PolarHBondContact O-N 3.47Å
235L49.4Very low51.5Low78 Ų78107.3 Ų107.341%0.40855%0.547SS..  trans-72.391.1173.3-65.6169000108.5F230 Q233F230-L235 HydrophobicContact CB-CD1 3.98Å; F230-L235 HydrophobicContact CD1-CD1 3.9Å; F230-L235 HydrophobicContact CG-CD1 4.24Å; F230-L235 WeakPolarHBondContact O-CB 3.5Å; F230-L235 PolarHBondContact O-N 3.34Å; Q233-L235 VanDerWaalsContact C-N 3.27Å; Q233-L235 PolarHBondContact O-N 3.13Å
236K48.2Very low50.7Low193 Ų193110.9 Ų110.984%0.83956%0.558SS**  trans-75.5128.3176.4-71.3-173178-178.30110.6G234G234-K236 VanDerWaalsContact C-N 3.34Å; G234-K236 PolarHBondContact O-N 3.47Å
237F45.8Very low49.8Very low58 Ų58114.5 Ų114.525%0.25458%0.575SS.*  trans-70.8122.9177.7-65.6-72.4000110.8Y92 P94 N239Y92-F237 VanDerWaalsContact CB-CZ 3.48Å; Y92-F237 AromaticContact CD1-CD2 3.94Å; Y92-F237 HydrophobicContact CD1-CD2 3.94Å; Y92-F237 AromaticContact CD1-CE2 3.35Å; Y92-F237 HydrophobicContact CD1-CE2 3.35Å; Y92-F237 AromaticContact CD1-CZ 3.77Å; Y92-F237 HydrophobicContact CD1-CZ 3.77Å; Y92-F237 HydrophobicContact CE1-CE2 4.31Å; Y92-F237 HydrophobicContact CG-CE2 4.05Å; Y92-F237 HydrophobicContact CG-CZ 4.03Å; Y92-F237 WeakPolarHBondContact O-CD1 3.48Å; Y92-F237 WeakPolarHBondContact O-CE1 3.22Å; P94-F237 HydrophobicContact CG-CB 3.95Å; F237-N239 PolarHBondContact O-N 3.16Å
238V40.8Very low49Very low70 Ų70121.5 Ų121.542%0.42461%0.61SS.*  trans-74.195.5179.7-173.20000110.1P94 Q240P94-V238 HydrophobicContact CB-CB 4.11Å; P94-V238 WeakPolarHBondContact CB-O 3.22Å; P94-V238 WeakPolarHBondContact CG-O 3.36Å; V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 HydrophobicContact CG1-CG 4.09Å; V238-Q240 PolarHBondContact O-N 3.13Å
239N38.3Very low47.8Very low150 Ų150124 Ų12480%0.80263%0.625SS**  trans-65.889.3165.9-97.7-19.4000109.4F237 K241F237-N239 PolarHBondContact O-N 3.16Å; N239-K241 VanDerWaalsContact C-N 3.27Å; N239-K241 PolarHBondContact O-N 2.9Å; N239-K241 VanDerWaalsContact O-N 3.07Å
240Q40.1Very low46.5Very low111 Ų111124.4 Ų124.452%0.51963%0.633SS.*  trans-76.387.1159.4-82-173.2-10.900107.9V238 L242V238-Q240 VanDerWaalsContact C-N 3.28Å; V238-Q240 HydrophobicContact CG1-CG 4.09Å; V238-Q240 PolarHBondContact O-N 3.13Å; Q240-L242 VanDerWaalsContact C-N 3.32Å; Q240-L242 PolarHBondContact O-N 3.49Å
241K32Very low45.3Very low192 Ų192127.2 Ų127.284%0.83565%0.651SS**  trans-63.7106.1140.7-88.7-176173.3-177.90105.4N239 T243N239-K241 VanDerWaalsContact C-N 3.27Å; N239-K241 PolarHBondContact O-N 2.9Å; N239-K241 VanDerWaalsContact O-N 3.07Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 3.15Å
242L28.7Very low44.2Very low154 Ų154129 Ų12981%0.80667%0.665SS**  trans-61.399.4160.1-78.7154.8000106.9Q240Q240-L242 VanDerWaalsContact C-N 3.32Å; Q240-L242 PolarHBondContact O-N 3.49Å
243T28.8Very low42.2Very low201 Ų201125.4 Ų125.4100%1.23366%0.658SS**  trans-102.80143.946.20000107.4K241K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 PolarHBondContact O-N 3.15Å

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