A0A077ZJL0_TRITR Loading...

Guanine nucleotide exchange factor for Ras-like G TPases N-terminal motif family protein

AlphaFold DB , UniProt , Accession A0A077ZJL0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 450 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
1M58.4Low81.6Confident199 Ų19996.3 Ų96.398%0.9848%0.482SS*.  0-65.10-76.3178142.400111.7N3 S4 D5M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.07Å; M1-S4 WeakPolarHBondContact O-CA 3.39Å; M1-S4 WeakPolarHBondContact O-CB 3.28Å; M1-S4 PolarHBondContact O-N 2.8Å; M1-D5 PolarHBondContact O-N 3Å
2Q63.2Low82.7Confident164 Ų16494.1 Ų94.177%0.76647%0.467SS*.Hα-helixtrans-49-41.9-178.4-76180-12.200115.4D5 Q6Q2-D5 PolarHBondContact O-N 3.26Å; Q2-Q6 WeakPolarHBondContact O-CG 3.41Å; Q2-Q6 PolarHBondContact O-N 2.9Å; Q2-Q6 VanDerWaalsContact O-N 3.08Å
3N72.9Confident83.7Confident131 Ų13197.5 Ų97.570%0.70147%0.472SS*.Hα-helixtrans-69.5-33.4179.6-142.56.8000112.7M1 H7M1-N3 VanDerWaalsContact C-N 3.29Å; M1-N3 PolarHBondContact O-N 3.25Å; M1-N3 VanDerWaalsContact O-N 3.07Å; N3-H7 WeakPolarHBondContact O-CB 3.39Å; N3-H7 PolarHBondContact O-N 3.38Å
4S78Confident84.5Confident53 Ų5394.4 Ų94.437%0.37146%0.461SS..Hα-helixtrans-69.4-44.1175.8-169.30000111.1M1 Q6 H7 V8 Q53M1-S4 WeakPolarHBondContact O-CA 3.39Å; M1-S4 WeakPolarHBondContact O-CB 3.28Å; M1-S4 PolarHBondContact O-N 2.8Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.24Å; S4-H7 PolarHBondContact O-N 2.98Å; S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.38Å; S4-Q53 PolarHBondContact OG-NE2 3.15Å
5D82.9Confident85.2Confident85 Ų8588.3 Ų88.346%0.45543%0.431SS..Hα-helixtrans-65.2-38.5179.9-60.3-32.9000111.3M1 Q2 S9M1-D5 PolarHBondContact O-N 3Å; Q2-D5 PolarHBondContact O-N 3.26Å; D5-S9 WeakPolarHBondContact O-CB 3.3Å; D5-S9 PolarHBondContact O-N 3.27Å
6Q87.8Confident85.9Confident112 Ų11285.1 Ų85.152%0.52342%0.423SS..Hα-helixtrans-61.8-48.4172.2-76.3-178.1-1.200111.2Q2 S4 V8 S9 F10Q2-Q6 WeakPolarHBondContact O-CG 3.41Å; Q2-Q6 PolarHBondContact O-N 2.9Å; Q2-Q6 VanDerWaalsContact O-N 3.08Å; S4-Q6 VanDerWaalsContact C-N 3.32Å; S4-Q6 PolarHBondContact O-N 3.24Å; Q6-V8 PolarHBondContact O-N 3.01Å; Q6-S9 WeakPolarHBondContact O-CB 3.33Å; Q6-S9 PolarHBondContact O-N 2.97Å; Q6-S9 VanDerWaalsContact O-N 3.15Å; Q6-F10 HydrophobicContact CB-CD2 4.46Å; Q6-F10 HydrophobicContact CB-CE2 4.18Å; Q6-F10 WeakPolarHBondContact O-CD2 3.42Å; Q6-F10 PolarHBondContact O-N 3.06Å
7H87.4Confident86.4Confident70 Ų7087 Ų8732%0.32443%0.429SS..Hα-helixtrans-57.7-48.3179.3-169.4-98.8000112.3N3 S4 S9 F10 R11 D49N3-H7 WeakPolarHBondContact O-CB 3.39Å; N3-H7 PolarHBondContact O-N 3.38Å; S4-H7 PolarHBondContact O-N 2.98Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 2.74Å; H7-F10 WeakPolarHBondContact O-CB 3.38Å; H7-F10 PolarHBondContact O-N 3.13Å; H7-F10 VanDerWaalsContact O-N 3.16Å; H7-R11 PolarHBondContact O-N 3.21Å; H7-D49 IonicContact CE1-OD2 3.42Å; H7-D49 PolarHBondContact CE1-OD2 3.03Å
8V90.6Very high86.9Confident5 Ų582.2 Ų82.23%0.0341%0.405CS..Hα-helixtrans-56-49.3174.5171.80000110.2S4 Q6 F10 R11 K12 Q53 Q55 L56S4-V8 WeakPolarHBondContact O-CG2 3.48Å; S4-V8 PolarHBondContact O-N 3.38Å; Q6-V8 PolarHBondContact O-N 3.01Å; V8-F10 VanDerWaalsContact C-N 3.31Å; V8-F10 PolarHBondContact O-N 3.23Å; V8-R11 WeakPolarHBondContact O-CB 3.39Å; V8-R11 PolarHBondContact O-N 3.18Å; V8-R11 VanDerWaalsContact O-N 3.13Å; V8-K12 HydrophobicContact CG1-CD 4.27Å; V8-K12 HydrophobicContact CG1-CG 4.4Å; V8-K12 WeakPolarHBondContact O-CG 3.39Å; V8-K12 PolarHBondContact O-N 3.4Å; V8-Q53 HydrophobicContact CG2-CB 4.32Å; V8-Q53 HydrophobicContact CG2-CG 4.38Å; V8-Q53 VanDerWaalsContact CG2-OE1 3.24Å; V8-Q55 HydrophobicContact CG1-CB 4.14Å; V8-L56 HydrophobicContact CG1-CD2 3.89Å; V8-L56 HydrophobicContact CG1-CG 4.3Å
9S92.6Very high87.3Confident55 Ų5581.9 Ų81.939%0.38540%0.403SS..Hα-helixtrans-59.3-37.1178.2178.40000113.5D5 Q6 H7 R13D5-S9 WeakPolarHBondContact O-CB 3.3Å; D5-S9 PolarHBondContact O-N 3.27Å; Q6-S9 WeakPolarHBondContact O-CB 3.33Å; Q6-S9 PolarHBondContact O-N 2.97Å; Q6-S9 VanDerWaalsContact O-N 3.15Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 2.74Å; S9-R13 WeakPolarHBondContact O-CG 3.26Å; S9-R13 PolarHBondContact O-N 3.13Å; S9-R13 PolarHBondContact O-NE 3.39Å
10F92.3Very high87.6Confident112 Ų11284.8 Ų84.849%0.49142%0.415SS..Hα-helixtrans-63.8-47.9172.9-75.7-71.8000111.6Q6 H7 V8 K12 R13 V14Q6-F10 HydrophobicContact CB-CD2 4.46Å; Q6-F10 HydrophobicContact CB-CE2 4.18Å; Q6-F10 WeakPolarHBondContact O-CD2 3.42Å; Q6-F10 PolarHBondContact O-N 3.06Å; H7-F10 WeakPolarHBondContact O-CB 3.38Å; H7-F10 PolarHBondContact O-N 3.13Å; H7-F10 VanDerWaalsContact O-N 3.16Å; V8-F10 VanDerWaalsContact C-N 3.31Å; V8-F10 PolarHBondContact O-N 3.23Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.87Å; F10-R13 PolarHBondContact O-N 3.19Å; F10-R13 VanDerWaalsContact O-N 3.17Å; F10-V14 WeakPolarHBondContact O-CG2 3.46Å; F10-V14 PolarHBondContact O-N 3.4Å
11R91.8Very high87.9Confident73 Ų7384.7 Ų84.728%0.27541%0.41SS..Hα-helixtrans-56.8-46.3177.2-68.7-56.5-166.4-148.7-0.4112.3H7 V8 R13 V14 V15 I46 D49 L56H7-R11 PolarHBondContact O-N 3.21Å; V8-R11 WeakPolarHBondContact O-CB 3.39Å; V8-R11 PolarHBondContact O-N 3.18Å; V8-R11 VanDerWaalsContact O-N 3.13Å; R11-R13 VanDerWaalsContact C-N 3.3Å; R11-R13 PolarHBondContact O-N 2.98Å; R11-V14 PolarHBondContact O-N 3.13Å; R11-V14 VanDerWaalsContact O-N 3.15Å; R11-V15 PolarHBondContact O-N 2.99Å; R11-I46 HydrophobicContact CB-CD1 3.75Å; R11-I46 HydrophobicContact CG-CD1 4.09Å; R11-D49 IonicContact CZ-OD2 3.35Å; R11-D49 IonicContact NE-OD2 2.73Å; R11-D49 PolarHBondContact NE-OD2 3.41Å; R11-D49 IonicContact NH2-OD2 3.08Å; R11-D49 PolarHBondContact NH2-OD2 2.98Å; R11-D49 VanDerWaalsContact NH2-OD2 3.08Å; R11-L56 HydrophobicContact CB-CD1 4.4Å; R11-L56 HydrophobicContact CB-CD2 3.79Å; R11-L56 HydrophobicContact CG-CD1 4.36Å
12K94.9Very high89.5Confident70 Ų7075.5 Ų75.530%0.30437%0.365SS..Hα-helixtrans-57-42.8177-63.8-169.1175.6-109.30112.5V8 F10 V15 A16 Q55 L56 E59V8-K12 HydrophobicContact CG1-CD 4.27Å; V8-K12 HydrophobicContact CG1-CG 4.4Å; V8-K12 WeakPolarHBondContact O-CG 3.39Å; V8-K12 PolarHBondContact O-N 3.4Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 2.87Å; K12-V15 PolarHBondContact O-N 3.03Å; K12-A16 WeakPolarHBondContact O-CB 3.43Å; K12-A16 PolarHBondContact O-N 2.98Å; K12-Q55 WeakPolarHBondContact CE-O 3.46Å; K12-Q55 PolarHBondContact NZ-O 3.46Å; K12-L56 HydrophobicContact CG-CD2 4.13Å; K12-E59 HydrophobicContact CB-CG 4.38Å; K12-E59 VanDerWaalsContact CD-OE1 3.28Å; K12-E59 WeakPolarHBondContact CD-OE1 3.37Å; K12-E59 WeakPolarHBondContact CE-OE1 3.1Å; K12-E59 HydrophobicContact CG-CG 3.94Å; K12-E59 VanDerWaalsContact CG-OE1 3.27Å; K12-E59 WeakPolarHBondContact CG-OE1 3.4Å; K12-E59 VanDerWaalsContact NZ-CD 3.27Å; K12-E59 IonicContact NZ-OE1 2.76Å; K12-E59 PolarHBondContact NZ-OE1 3.24Å; K12-E59 IonicContact NZ-OE2 3.07Å; K12-E59 PolarHBondContact NZ-OE2 3.23Å; K12-E59 VanDerWaalsContact NZ-OE2 3.07Å
13R95.3Very high90.8Very high139 Ų13971.8 Ų71.853%0.52536%0.362SS..Hα-helixtrans-67.5-36.8178.3-74.4-176.4-71.8173.2-3.9112.9S9 F10 R11 F17S9-R13 WeakPolarHBondContact O-CG 3.26Å; S9-R13 PolarHBondContact O-N 3.13Å; S9-R13 PolarHBondContact O-NE 3.39Å; F10-R13 PolarHBondContact O-N 3.19Å; F10-R13 VanDerWaalsContact O-N 3.17Å; R11-R13 VanDerWaalsContact C-N 3.3Å; R11-R13 PolarHBondContact O-N 2.98Å; R13-F17 WeakPolarHBondContact O-CB 3.47Å; R13-F17 PolarHBondContact O-N 2.83Å
14V94.9Very high91.6Very high53 Ų5368.4 Ų68.432%0.32134%0.344SS..Hα-helixtrans-66-44.1176.2174.90000110.9F10 R11 F17 L18 F38 I42F10-V14 WeakPolarHBondContact O-CG2 3.46Å; F10-V14 PolarHBondContact O-N 3.4Å; R11-V14 PolarHBondContact O-N 3.13Å; R11-V14 VanDerWaalsContact O-N 3.15Å; V14-F17 WeakPolarHBondContact O-CB 3.41Å; V14-F17 PolarHBondContact O-N 3.41Å; V14-L18 PolarHBondContact O-N 2.88Å; V14-F38 HydrophobicContact CG1-CZ 4.44Å; V14-I42 HydrophobicContact CG1-CD1 3.6Å; V14-I42 HydrophobicContact CG1-CG1 4.41Å
15V95.4Very high92.1Very high3 Ų366 Ų662%0.01833%0.327CS..Hα-helixtrans-64.4-43.2176.7174.70000111.2R11 K12 F17 L18 Q19 I42 I46 E59 A62 V63R11-V15 PolarHBondContact O-N 2.99Å; K12-V15 PolarHBondContact O-N 3.03Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.88Å; V15-L18 WeakPolarHBondContact O-CB 3.45Å; V15-L18 PolarHBondContact O-N 3.34Å; V15-Q19 WeakPolarHBondContact O-CG 3.45Å; V15-Q19 PolarHBondContact O-N 2.78Å; V15-I42 HydrophobicContact CG2-CG2 4.11Å; V15-I46 HydrophobicContact CG2-CD1 3.98Å; V15-I46 HydrophobicContact CG2-CG1 4Å; V15-E59 HydrophobicContact CB-CB 4.34Å; V15-E59 HydrophobicContact CB-CG 4.32Å; V15-E59 HydrophobicContact CG1-CB 4.21Å; V15-E59 HydrophobicContact CG1-CG 4.38Å; V15-E59 HydrophobicContact CG2-CB 4.14Å; V15-A62 HydrophobicContact CG1-CB 4.11Å; V15-V63 HydrophobicContact CB-CG2 4.49Å; V15-V63 HydrophobicContact CG1-CG2 3.85Å; V15-V63 HydrophobicContact CG2-CG2 3.87Å
16A95.8Very high92.2Very high37 Ų3763.3 Ų63.331%0.30632%0.32SS..Hα-helixtrans-59.7-43174.300000111.8K12 Q19 H20K12-A16 WeakPolarHBondContact O-CB 3.43Å; K12-A16 PolarHBondContact O-N 2.98Å; A16-Q19 PolarHBondContact O-N 3.18Å; A16-H20 PolarHBondContact O-N 2.55Å; A16-H20 VanDerWaalsContact O-N 3.09Å; A16-H20 PolarHBondContact O-ND1 3.28Å
17F95.1Very high91.9Very high118 Ų11861 Ų6152%0.51831%0.309SS..Hα-helixtrans-59.9-45.9174.7168.9-98.7000111.8R13 V14 V15 Q19 H20 W21R13-F17 WeakPolarHBondContact O-CB 3.47Å; R13-F17 PolarHBondContact O-N 2.83Å; V14-F17 WeakPolarHBondContact O-CB 3.41Å; V14-F17 PolarHBondContact O-N 3.41Å; V15-F17 VanDerWaalsContact C-N 3.32Å; V15-F17 PolarHBondContact O-N 2.88Å; F17-Q19 PolarHBondContact O-N 3.43Å; F17-H20 PolarHBondContact O-N 3.27Å; F17-W21 HydrophobicContact CE1-CD2 4.45Å; F17-W21 AromaticContact CE1-CE3 3.59Å; F17-W21 HydrophobicContact CE1-CE3 3.59Å; F17-W21 HydrophobicContact CE1-CZ3 4.15Å; F17-W21 HydrophobicContact CZ-CD2 4.41Å; F17-W21 AromaticContact CZ-CE3 3.9Å; F17-W21 HydrophobicContact CZ-CE3 3.9Å; F17-W21 PolarHBondContact O-N 3.3Å
18L95Very high91.5Very high0 Ų059 Ų590%030%0.303CS..Hα-helixtrans-58.9-45.9177.7176.260.6000111.5V14 V15 H20 W21 V22 F29 F38 I39 I42 L66V14-L18 PolarHBondContact O-N 2.88Å; V15-L18 WeakPolarHBondContact O-CB 3.45Å; V15-L18 PolarHBondContact O-N 3.34Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 3.19Å; L18-W21 PolarHBondContact O-N 2.91Å; L18-V22 HydrophobicContact CD1-CG2 4.07Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 2.97Å; L18-F29 HydrophobicContact CD1-CE1 4.33Å; L18-F29 HydrophobicContact CD1-CE2 4.24Å; L18-F29 HydrophobicContact CD1-CZ 3.64Å; L18-F38 HydrophobicContact CB-CE1 4.5Å; L18-F38 HydrophobicContact CD1-CD1 3.81Å; L18-F38 HydrophobicContact CD1-CE1 3.92Å; L18-I39 HydrophobicContact CD1-CG1 3.89Å; L18-I39 HydrophobicContact CD2-CG1 4.13Å; L18-I39 HydrophobicContact CG-CG1 4.48Å; L18-I42 HydrophobicContact CD2-CB 4.27Å; L18-I42 HydrophobicContact CD2-CG1 4.46Å; L18-I42 HydrophobicContact CD2-CG2 4.07Å; L18-L66 HydrophobicContact CD2-CD1 3.85Å; L18-L66 HydrophobicContact CG-CD1 3.74Å
19Q95Very high91.4Very high77 Ų7759 Ų5936%0.3630%0.303SS..Hα-helixtrans-58.7-43.9175.9-70.7177.8-5900112.2V15 A16 F17 W21 A23 L66V15-Q19 WeakPolarHBondContact O-CG 3.45Å; V15-Q19 PolarHBondContact O-N 2.78Å; A16-Q19 PolarHBondContact O-N 3.18Å; F17-Q19 PolarHBondContact O-N 3.43Å; Q19-W21 VanDerWaalsContact C-N 3.33Å; Q19-W21 PolarHBondContact O-N 2.92Å; Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.27Å; Q19-A23 PolarHBondContact O-N 2.93Å; Q19-L66 HydrophobicContact CG-CD1 4.04Å
20H93.4Very high91Very high140 Ų14057 Ų5765%0.64829%0.287SS*.Hα-helixtrans-65.6-38177.6-75.778000112A16 F17 L18 L24A16-H20 PolarHBondContact O-N 2.55Å; A16-H20 VanDerWaalsContact O-N 3.09Å; A16-H20 PolarHBondContact O-ND1 3.28Å; F17-H20 PolarHBondContact O-N 3.27Å; L18-H20 VanDerWaalsContact C-N 3.33Å; L18-H20 PolarHBondContact O-N 3.19Å; H20-L24 VanDerWaalsContact O-CB 3.26Å; H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 PolarHBondContact O-N 2.97Å
21W92.6Very high90.2Very high83 Ų8353.9 Ų53.931%0.31427%0.274SS..Hα-helixtrans-68.4-45.7178.5-1704.8000111.4F17 L18 Q19 A23 L24 A25 F29 F38F17-W21 HydrophobicContact CE1-CD2 4.45Å; F17-W21 AromaticContact CE1-CE3 3.59Å; F17-W21 HydrophobicContact CE1-CE3 3.59Å; F17-W21 HydrophobicContact CE1-CZ3 4.15Å; F17-W21 HydrophobicContact CZ-CD2 4.41Å; F17-W21 AromaticContact CZ-CE3 3.9Å; F17-W21 HydrophobicContact CZ-CE3 3.9Å; F17-W21 PolarHBondContact O-N 3.3Å; L18-W21 PolarHBondContact O-N 2.91Å; Q19-W21 VanDerWaalsContact C-N 3.33Å; Q19-W21 PolarHBondContact O-N 2.92Å; W21-A23 PolarHBondContact O-N 3.16Å; W21-L24 PolarHBondContact O-N 2.69Å; W21-A25 WeakPolarHBondContact O-CB 3.24Å; W21-A25 PolarHBondContact O-N 3.22Å; W21-F29 HydrophobicContact CB-CE2 4.46Å; W21-F29 AromaticContact CD1-CD2 3.98Å; W21-F29 HydrophobicContact CD2-CD2 4Å; W21-F29 AromaticContact CD2-CE2 3.51Å; W21-F29 HydrophobicContact CD2-CE2 3.51Å; W21-F29 AromaticContact CE2-CD2 3.96Å; W21-F29 AromaticContact CE2-CE2 3.74Å; W21-F29 AromaticContact CE3-CE2 3.7Å; W21-F29 HydrophobicContact CE3-CE2 3.7Å; W21-F29 HydrophobicContact CG-CD2 4.01Å; W21-F29 AromaticContact CG-CE2 3.87Å; W21-F29 HydrophobicContact CG-CE2 3.87Å; W21-F29 HydrophobicContact CH2-CE2 4.3Å; W21-F29 HydrophobicContact CZ2-CE2 4.15Å; W21-F29 HydrophobicContact CZ3-CE2 4.09Å; W21-F29 AromaticContact NE1-CD2 3.94Å; W21-F38 HydrophobicContact CZ3-CD1 4.22Å; W21-F38 HydrophobicContact CZ3-CE1 4.36Å
22V92.9Very high89.7Confident5 Ų552.8 Ų52.83%0.0327%0.274CS..Hα-helixtrans-60.6-45.3175.1174.90000110.9L18 L24 A25 G26 F29 F30 I39 L66L18-V22 HydrophobicContact CD1-CG2 4.07Å; L18-V22 WeakPolarHBondContact O-CG2 3.29Å; L18-V22 PolarHBondContact O-N 2.97Å; V22-L24 PolarHBondContact O-N 3.12Å; V22-A25 PolarHBondContact O-N 2.9Å; V22-G26 WeakPolarHBondContact O-CA 3.18Å; V22-G26 PolarHBondContact O-N 3.16Å; V22-F29 HydrophobicContact CG2-CD1 3.74Å; V22-F29 HydrophobicContact CG2-CD2 4.14Å; V22-F29 HydrophobicContact CG2-CE1 3.9Å; V22-F29 HydrophobicContact CG2-CE2 4.24Å; V22-F29 HydrophobicContact CG2-CG 3.9Å; V22-F29 HydrophobicContact CG2-CZ 4.13Å; V22-F30 HydrophobicContact CG1-CE1 4.06Å; V22-F30 HydrophobicContact CG1-CE2 4.11Å; V22-F30 HydrophobicContact CG1-CZ 3.47Å; V22-F30 VanDerWaalsContact CG1-CZ 3.47Å; V22-I39 HydrophobicContact CG2-CD1 4.25Å; V22-L66 HydrophobicContact CB-CD2 4.15Å; V22-L66 HydrophobicContact CG1-CD2 3.99Å; V22-L66 HydrophobicContact CG2-CD1 4.46Å; V22-L66 HydrophobicContact CG2-CD2 4.25Å
23A90.3Very high89.2Confident86 Ų8654.3 Ų54.371%0.71129%0.291SS*.Hα-helixtrans-62.1-31.8177.800000113.1Q19 W21Q19-A23 VanDerWaalsContact O-CB 3.3Å; Q19-A23 WeakPolarHBondContact O-CB 3.27Å; Q19-A23 PolarHBondContact O-N 2.93Å; W21-A23 PolarHBondContact O-N 3.16Å
24L89.6Confident88.8Confident61 Ų6152.6 Ų52.632%0.31930%0.295SS..Hα-helixtrans-78-47.3178.6177.366.9000112.7H20 W21 V22 E232 Y233 R402H20-L24 VanDerWaalsContact O-CB 3.26Å; H20-L24 WeakPolarHBondContact O-CB 3.41Å; H20-L24 PolarHBondContact O-N 2.97Å; W21-L24 PolarHBondContact O-N 2.69Å; V22-L24 PolarHBondContact O-N 3.12Å; L24-E232 VanDerWaalsContact CD1-OE1 3.27Å; L24-E232 WeakPolarHBondContact CD1-OE1 3.39Å; L24-Y233 HydrophobicContact CG-CE1 4.46Å; L24-R402 VanDerWaalsContact CD1-CZ 3.45Å
25A88.4Confident88.5Confident2 Ų250.1 Ų50.12%0.01728%0.28CS..Hα-helixtrans-83.2-20.4-175.300000112.7W21 V22 S28 F29 Y233W21-A25 WeakPolarHBondContact O-CB 3.24Å; W21-A25 PolarHBondContact O-N 3.22Å; V22-A25 PolarHBondContact O-N 2.9Å; A25-S28 WeakPolarHBondContact O-CB 3.5Å; A25-S28 PolarHBondContact O-N 2.99Å; A25-F29 HydrophobicContact CB-CB 3.8Å; A25-F29 HydrophobicContact CB-CD2 4.38Å; A25-Y233 HydrophobicContact CB-CE2 3.64Å
26G85.4Confident88Confident29 Ų2950.5 Ų50.530%0.29928%0.284SS..THydrogen-bonded Turntrans55.4-138.5-177.500000112.1V22 S28 F29V22-G26 WeakPolarHBondContact O-CA 3.18Å; V22-G26 PolarHBondContact O-N 3.16Å; G26-S28 PolarHBondContact O-N 3.4Å; G26-F29 VanDerWaalsContact O-CB 3.32Å; G26-F29 WeakPolarHBondContact O-CB 3.47Å; G26-F29 PolarHBondContact O-N 2.95Å
27H80.2Confident87.8Confident62 Ų6251.2 Ų51.229%0.28729%0.29SS..Hα-helixtrans-56.1-34-178.3-171.7-84000113.3F29 F30 E31 A73H27-F29 PolarHBondContact O-N 3.07Å; H27-F29 VanDerWaalsContact O-N 3.13Å; H27-F30 PolarHBondContact O-N 3.15Å; H27-E31 IonicContact CE1-OE1 3.71Å; H27-E31 PolarHBondContact CE1-OE1 3.21Å; H27-E31 IonicContact ND1-OE1 3Å; H27-E31 PolarHBondContact ND1-OE1 3.22Å; H27-E31 PolarHBondContact O-N 3.34Å; H27-A73 PolarHBondContact NE2-O 3.15Å
28S80.8Confident87.6Confident30 Ų3048.1 Ų48.121%0.2128%0.276CS..Hα-helixtrans-61.1-25.5179.3-58.20000113.6A25 G26 D32 R248A25-S28 WeakPolarHBondContact O-CB 3.5Å; A25-S28 PolarHBondContact O-N 2.99Å; G26-S28 PolarHBondContact O-N 3.4Å; S28-D32 PolarHBondContact O-N 2.73Å; S28-R248 PolarHBondContact O-NH2 2.64Å
29F86.7Confident87.5Confident5 Ų548.1 Ų48.12%0.02228%0.276CS..Hα-helixtrans-62.1-45.5173.9-173.9-81.6000111.4L18 W21 V22 A25 G26 H27 D32 G35 I39L18-F29 HydrophobicContact CD1-CE1 4.33Å; L18-F29 HydrophobicContact CD1-CE2 4.24Å; L18-F29 HydrophobicContact CD1-CZ 3.64Å; W21-F29 HydrophobicContact CB-CE2 4.46Å; W21-F29 AromaticContact CD1-CD2 3.98Å; W21-F29 HydrophobicContact CD2-CD2 4Å; W21-F29 AromaticContact CD2-CE2 3.51Å; W21-F29 HydrophobicContact CD2-CE2 3.51Å; W21-F29 AromaticContact CE2-CD2 3.96Å; W21-F29 AromaticContact CE2-CE2 3.74Å; W21-F29 AromaticContact CE3-CE2 3.7Å; W21-F29 HydrophobicContact CE3-CE2 3.7Å; W21-F29 HydrophobicContact CG-CD2 4.01Å; W21-F29 AromaticContact CG-CE2 3.87Å; W21-F29 HydrophobicContact CG-CE2 3.87Å; W21-F29 HydrophobicContact CH2-CE2 4.3Å; W21-F29 HydrophobicContact CZ2-CE2 4.15Å; W21-F29 HydrophobicContact CZ3-CE2 4.09Å; W21-F29 AromaticContact NE1-CD2 3.94Å; V22-F29 HydrophobicContact CG2-CD1 3.74Å; V22-F29 HydrophobicContact CG2-CD2 4.14Å; V22-F29 HydrophobicContact CG2-CE1 3.9Å; V22-F29 HydrophobicContact CG2-CE2 4.24Å; V22-F29 HydrophobicContact CG2-CG 3.9Å; V22-F29 HydrophobicContact CG2-CZ 4.13Å; A25-F29 HydrophobicContact CB-CB 3.8Å; A25-F29 HydrophobicContact CB-CD2 4.38Å; G26-F29 VanDerWaalsContact O-CB 3.32Å; G26-F29 WeakPolarHBondContact O-CB 3.47Å; G26-F29 PolarHBondContact O-N 2.95Å; H27-F29 PolarHBondContact O-N 3.07Å; H27-F29 VanDerWaalsContact O-N 3.13Å; F29-D32 VanDerWaalsContact O-CB 3.28Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 2.77Å; F29-G35 VanDerWaalsContact CE1-C 3.43Å; F29-G35 WeakPolarHBondContact CE1-O 3.3Å; F29-G35 WeakPolarHBondContact CZ-O 3.35Å; F29-I39 HydrophobicContact CD1-CD1 3.82Å; F29-I39 HydrophobicContact CE1-CD1 3.25Å; F29-I39 HydrophobicContact CE1-CG1 3.55Å; F29-I39 HydrophobicContact CZ-CD1 4.2Å; F29-I39 HydrophobicContact CZ-CG1 4.08Å
30F84.2Confident87.4Confident12 Ų1248.4 Ų48.45%0.05328%0.278CS..Hα-helixtrans-75.1-28-175.2-56.9-56.7000112.8V22 H27 D32 I39 E69 R70 A73V22-F30 HydrophobicContact CG1-CE1 4.06Å; V22-F30 HydrophobicContact CG1-CE2 4.11Å; V22-F30 HydrophobicContact CG1-CZ 3.47Å; V22-F30 VanDerWaalsContact CG1-CZ 3.47Å; H27-F30 PolarHBondContact O-N 3.15Å; F30-D32 PolarHBondContact O-N 3.11Å; F30-I39 HydrophobicContact CD1-CD1 3.94Å; F30-I39 HydrophobicContact CE1-CD1 3.62Å; F30-E69 HydrophobicContact CE2-CB 4.16Å; F30-E69 HydrophobicContact CZ-CB 3.7Å; F30-R70 HydrophobicContact CB-CG 4.24Å; F30-R70 HydrophobicContact CD1-CB 3.41Å; F30-R70 VanDerWaalsContact CD1-CB 3.41Å; F30-R70 HydrophobicContact CD1-CG 3.78Å; F30-R70 HydrophobicContact CE1-CB 3.67Å; F30-R70 HydrophobicContact CG-CB 4.08Å; F30-R70 HydrophobicContact CG-CG 4.27Å; F30-A73 HydrophobicContact CB-CB 4.05Å; F30-A73 HydrophobicContact CD2-CB 3.39Å; F30-A73 HydrophobicContact CE2-CB 4.08Å; F30-A73 HydrophobicContact CG-CB 3.98Å
31E76.9Confident87.4Confident47 Ų4748.1 Ų48.122%0.2228%0.277CS..THydrogen-bonded Turntrans-74.1-14.5171.4-65.6-171.414900113H27 P33 R248H27-E31 IonicContact CE1-OE1 3.71Å; H27-E31 PolarHBondContact CE1-OE1 3.21Å; H27-E31 IonicContact ND1-OE1 3Å; H27-E31 PolarHBondContact ND1-OE1 3.22Å; H27-E31 PolarHBondContact O-N 3.34Å; E31-P33 WeakPolarHBondContact O-CD 3.37Å; E31-R248 IonicContact OE2-NH1 3.86Å; E31-R248 PolarHBondContact OE2-NH1 2.97Å
32D80.8Confident87.5Confident50 Ų5045 Ų4527%0.26727%0.266SS..  trans-77.4120.5176-158.6-31.5000109.9S28 F29 F30 V34 G35 A36 R248S28-D32 PolarHBondContact O-N 2.73Å; F29-D32 VanDerWaalsContact O-CB 3.28Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 2.77Å; F30-D32 PolarHBondContact O-N 3.11Å; D32-V34 PolarHBondContact O-N 3.47Å; D32-V34 WeakPolarHBondContact OD1-CB 3.38Å; D32-V34 PolarHBondContact OD1-N 3.48Å; D32-G35 PolarHBondContact O-N 3.03Å; D32-A36 VanDerWaalsContact O-CB 3.25Å; D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.08Å; D32-R248 IonicContact OD2-NH2 3.54Å
33P83.8Confident87.6Confident102 Ų10247.5 Ų47.566%0.66228%0.275SS*.Hα-helixtrans-56.2-34.5172.6-24.234.8000112.5E31 A37E31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-A37 VanDerWaalsContact O-CB 3.26Å; P33-A37 WeakPolarHBondContact O-CB 3.5Å; P33-A37 PolarHBondContact O-N 3.3Å
34V87.9Confident87.8Confident102 Ų10247 Ų4762%0.61827%0.266SS*.Hα-helixtrans-70.5-46.6178.5-179.20000110.6D32 F38D32-V34 PolarHBondContact O-N 3.47Å; D32-V34 WeakPolarHBondContact OD1-CB 3.38Å; D32-V34 PolarHBondContact OD1-N 3.48Å; V34-F38 VanDerWaalsContact O-CB 3.25Å; V34-F38 WeakPolarHBondContact O-CB 3.05Å; V34-F38 PolarHBondContact O-N 3.25Å
35G88.1Confident88Confident1 Ų145.3 Ų45.31%0.0126%0.261CS..Hα-helixtrans-63.6-44.2177.300000112.1F29 D32 F38 I39F29-G35 VanDerWaalsContact CE1-C 3.43Å; F29-G35 WeakPolarHBondContact CE1-O 3.3Å; F29-G35 WeakPolarHBondContact CZ-O 3.35Å; D32-G35 PolarHBondContact O-N 3.03Å; G35-F38 PolarHBondContact O-N 3.05Å; G35-I39 PolarHBondContact O-N 2.6Å
36A85.9Confident88.3Confident11 Ų1145.3 Ų45.39%0.09126%0.26CS..Hα-helixtrans-60-48.9176.900000112.1D32 F38 I39 E40D32-A36 VanDerWaalsContact O-CB 3.25Å; D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.08Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.08Å; A36-I39 PolarHBondContact O-N 3.1Å; A36-E40 PolarHBondContact O-N 3.42Å
37A90.4Very high88.8Confident52 Ų5246.4 Ų46.443%0.4326%0.259SS..Hα-helixtrans-63.2-38.1176.300000111.9P33 I39 E40 E41P33-A37 VanDerWaalsContact O-CB 3.26Å; P33-A37 WeakPolarHBondContact O-CB 3.5Å; P33-A37 PolarHBondContact O-N 3.3Å; A37-I39 PolarHBondContact O-N 2.85Å; A37-E40 PolarHBondContact O-N 3.17Å; A37-E41 PolarHBondContact O-N 3.24Å
38F92.2Very high89.4Confident53 Ų5349.7 Ų49.723%0.23228%0.275CS..Hα-helixtrans-63.8-39.9179.1-174.8-115.5000112.6V14 L18 W21 V34 G35 A36 E40 E41 I42V14-F38 HydrophobicContact CG1-CZ 4.44Å; L18-F38 HydrophobicContact CB-CE1 4.5Å; L18-F38 HydrophobicContact CD1-CD1 3.81Å; L18-F38 HydrophobicContact CD1-CE1 3.92Å; W21-F38 HydrophobicContact CZ3-CD1 4.22Å; W21-F38 HydrophobicContact CZ3-CE1 4.36Å; V34-F38 VanDerWaalsContact O-CB 3.25Å; V34-F38 WeakPolarHBondContact O-CB 3.05Å; V34-F38 PolarHBondContact O-N 3.25Å; G35-F38 PolarHBondContact O-N 3.05Å; A36-F38 VanDerWaalsContact C-N 3.31Å; A36-F38 PolarHBondContact O-N 3.08Å; F38-E40 VanDerWaalsContact C-N 3.35Å; F38-E40 PolarHBondContact O-N 3.16Å; F38-E41 PolarHBondContact O-N 3.08Å; F38-I42 HydrophobicContact CD2-CG1 4.31Å; F38-I42 HydrophobicContact CE1-CG1 4.17Å; F38-I42 HydrophobicContact CE2-CD1 4.02Å; F38-I42 HydrophobicContact CE2-CG1 3.96Å; F38-I42 HydrophobicContact CZ-CD1 4.04Å; F38-I42 HydrophobicContact CZ-CG1 3.88Å; F38-I42 VanDerWaalsContact O-CG1 3.28Å; F38-I42 WeakPolarHBondContact O-CG1 3.25Å; F38-I42 PolarHBondContact O-N 3Å
39I92.8Very high90Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-61.4-44.6173.9-72.4175000110.9L18 V22 F29 F30 G35 A36 A37 I42 Y43 L66 M67L18-I39 HydrophobicContact CD1-CG1 3.89Å; L18-I39 HydrophobicContact CD2-CG1 4.13Å; L18-I39 HydrophobicContact CG-CG1 4.48Å; V22-I39 HydrophobicContact CG2-CD1 4.25Å; F29-I39 HydrophobicContact CD1-CD1 3.82Å; F29-I39 HydrophobicContact CE1-CD1 3.25Å; F29-I39 HydrophobicContact CE1-CG1 3.55Å; F29-I39 HydrophobicContact CZ-CD1 4.2Å; F29-I39 HydrophobicContact CZ-CG1 4.08Å; F30-I39 HydrophobicContact CD1-CD1 3.94Å; F30-I39 HydrophobicContact CE1-CD1 3.62Å; G35-I39 PolarHBondContact O-N 2.6Å; A36-I39 PolarHBondContact O-N 3.1Å; A37-I39 PolarHBondContact O-N 2.85Å; I39-I42 PolarHBondContact O-N 3.38Å; I39-Y43 WeakPolarHBondContact O-CB 3.28Å; I39-Y43 PolarHBondContact O-N 2.99Å; I39-L66 HydrophobicContact CD1-CB 4.49Å; I39-M67 HydrophobicContact CG2-CG 3.62Å
40E91.9Very high90.3Very high83 Ų8350.2 Ų50.239%0.38828%0.276SS..Hα-helixtrans-63.9-40.7-179.3-70.5172.7-160.700111.9A36 A37 F38 Y43 C44 R70A36-E40 PolarHBondContact O-N 3.42Å; A37-E40 PolarHBondContact O-N 3.17Å; F38-E40 VanDerWaalsContact C-N 3.35Å; F38-E40 PolarHBondContact O-N 3.16Å; E40-Y43 PolarHBondContact O-N 2.97Å; E40-C44 PolarHBondContact O-N 3.42Å; E40-C44 PolarHBondContact O-SG 3.24Å; E40-R70 IonicContact OE1-CZ 3.47Å; E40-R70 VanDerWaalsContact OE1-CZ 3.25Å; E40-R70 IonicContact OE1-NE 3.48Å; E40-R70 IonicContact OE1-NH1 3.62Å; E40-R70 IonicContact OE1-NH2 2.62Å; E40-R70 PolarHBondContact OE1-NH2 2.87Å
41E94.5Very high90.7Very high134 Ų13458.3 Ų58.363%0.62631%0.306SS*.Hα-helixtrans-63.6-46.8176.2-171.8-179.4165.400111.4A37 F38 Y43 C44 A45A37-E41 PolarHBondContact O-N 3.24Å; F38-E41 PolarHBondContact O-N 3.08Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 3.23Å; E41-C44 PolarHBondContact O-N 3.42Å; E41-A45 WeakPolarHBondContact O-CB 3.28Å; E41-A45 PolarHBondContact O-N 2.86Å
42I94.3Very high91.4Very high17 Ų1763 Ų639%0.08733%0.332CS..Hα-helixtrans-64.9-38.5177.9-65.8-58.6000111.3V14 V15 L18 F38 I39 A45 I46 V63V14-I42 HydrophobicContact CG1-CD1 3.6Å; V14-I42 HydrophobicContact CG1-CG1 4.41Å; V15-I42 HydrophobicContact CG2-CG2 4.11Å; L18-I42 HydrophobicContact CD2-CB 4.27Å; L18-I42 HydrophobicContact CD2-CG1 4.46Å; L18-I42 HydrophobicContact CD2-CG2 4.07Å; F38-I42 HydrophobicContact CD2-CG1 4.31Å; F38-I42 HydrophobicContact CE1-CG1 4.17Å; F38-I42 HydrophobicContact CE2-CD1 4.02Å; F38-I42 HydrophobicContact CE2-CG1 3.96Å; F38-I42 HydrophobicContact CZ-CD1 4.04Å; F38-I42 HydrophobicContact CZ-CG1 3.88Å; F38-I42 VanDerWaalsContact O-CG1 3.28Å; F38-I42 WeakPolarHBondContact O-CG1 3.25Å; F38-I42 PolarHBondContact O-N 3Å; I39-I42 PolarHBondContact O-N 3.38Å; I42-A45 PolarHBondContact O-N 3.4Å; I42-I46 HydrophobicContact CG2-CG1 4.1Å; I42-I46 WeakPolarHBondContact O-CB 3.3Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.35Å; I42-I46 PolarHBondContact O-N 3.44Å; I42-V63 HydrophobicContact CG2-CG1 4.46Å; I42-V63 HydrophobicContact CG2-CG2 3.93Å
43Y94.9Very high91.9Very high58 Ų5862.2 Ų62.223%0.22733%0.327CS..Hα-helixtrans-59.6-51.8175.1172.9-107.4000111.6I39 E40 E41 A45 I46 L47 L60 V63 E64 M67I39-Y43 WeakPolarHBondContact O-CB 3.28Å; I39-Y43 PolarHBondContact O-N 2.99Å; E40-Y43 PolarHBondContact O-N 2.97Å; E41-Y43 VanDerWaalsContact C-N 3.34Å; E41-Y43 PolarHBondContact O-N 3.23Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; Y43-A45 PolarHBondContact O-N 2.88Å; Y43-I46 PolarHBondContact O-N 3.15Å; Y43-L47 HydrophobicContact CE1-CD2 4.1Å; Y43-L47 WeakPolarHBondContact O-CB 3.46Å; Y43-L47 PolarHBondContact O-N 2.96Å; Y43-L60 HydrophobicContact CD2-CD1 4.04Å; Y43-L60 HydrophobicContact CE2-CD1 3.85Å; Y43-V63 HydrophobicContact CD2-CG1 4.22Å; Y43-V63 HydrophobicContact CG-CG1 4.45Å; Y43-E64 HydrophobicContact CD2-CG 4.27Å; Y43-E64 HydrophobicContact CE2-CG 3.7Å; Y43-M67 HydrophobicContact CD1-CE 4.2Å; Y43-M67 HydrophobicContact CD1-SD 3.59Å; Y43-M67 VanDerWaalsContact CD1-SD 3.59Å; Y43-M67 HydrophobicContact CD2-SD 3.5Å; Y43-M67 VanDerWaalsContact CD2-SD 3.5Å; Y43-M67 HydrophobicContact CE1-SD 4.1Å; Y43-M67 HydrophobicContact CE2-SD 4.03Å; Y43-M67 HydrophobicContact CG-CE 4.4Å; Y43-M67 HydrophobicContact CG-SD 3.25Å
44C95Very high92.3Very high77 Ų7761.5 Ų61.552%0.5232%0.323SS..Hα-helixtrans-58.4-46.1179.3-690000111.7E40 E41 L47 E48E40-C44 PolarHBondContact O-N 3.42Å; E40-C44 PolarHBondContact O-SG 3.24Å; E41-C44 PolarHBondContact O-N 3.42Å; C44-L47 PolarHBondContact O-N 3.36Å; C44-E48 PolarHBondContact O-N 3.43Å
45A93.7Very high92.6Very high25 Ų2562.2 Ų62.221%0.20732%0.319CS..Hα-helixtrans-63.5-45.1-179.500000112.5E41 I42 Y43 D49E41-A45 WeakPolarHBondContact O-CB 3.28Å; E41-A45 PolarHBondContact O-N 2.86Å; I42-A45 PolarHBondContact O-N 3.4Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; Y43-A45 PolarHBondContact O-N 2.88Å; A45-D49 WeakPolarHBondContact O-CB 3.46Å; A45-D49 VanDerWaalsContact O-CG 3.3Å; A45-D49 PolarHBondContact O-N 3.48Å
46I94.9Very high92.9Very high2 Ų262.1 Ų62.11%0.0132%0.319CS..Hα-helixtrans-70.6-37.5179.4-65-67.1000111.2R11 V15 I42 Y43 E48 D49 S50 E59 L60R11-I46 HydrophobicContact CB-CD1 3.75Å; R11-I46 HydrophobicContact CG-CD1 4.09Å; V15-I46 HydrophobicContact CG2-CD1 3.98Å; V15-I46 HydrophobicContact CG2-CG1 4Å; I42-I46 HydrophobicContact CG2-CG1 4.1Å; I42-I46 WeakPolarHBondContact O-CB 3.3Å; I42-I46 VanDerWaalsContact O-CG1 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.35Å; I42-I46 PolarHBondContact O-N 3.44Å; Y43-I46 PolarHBondContact O-N 3.15Å; I46-E48 VanDerWaalsContact C-N 3.34Å; I46-E48 PolarHBondContact O-N 3.45Å; I46-D49 PolarHBondContact O-N 3.23Å; I46-S50 WeakPolarHBondContact O-CB 3.35Å; I46-S50 PolarHBondContact O-N 3.15Å; I46-S50 PolarHBondContact O-OG 3.02Å; I46-E59 HydrophobicContact CG2-CB 4.46Å; I46-L60 HydrophobicContact CG2-CB 3.81Å; I46-L60 HydrophobicContact CG2-CD1 4.2Å
47L94.9Very high93.4Very high52 Ų5266.2 Ų66.227%0.27234%0.339SS..Hα-helixtrans-60.7-44.8176.2178.865000111.1Y43 C44 S50 L60Y43-L47 HydrophobicContact CE1-CD2 4.1Å; Y43-L47 WeakPolarHBondContact O-CB 3.46Å; Y43-L47 PolarHBondContact O-N 2.96Å; C44-L47 PolarHBondContact O-N 3.36Å; L47-S50 PolarHBondContact O-OG 3.04Å; L47-L60 HydrophobicContact CB-CD1 4.03Å; L47-L60 HydrophobicContact CD1-CD1 4.16Å; L47-L60 HydrophobicContact CD1-CD2 3.89Å
48E93.7Very high93.6Very high131 Ų13167.1 Ų67.161%0.61235%0.346SS*.Hα-helixtrans-64.8-53.1176.8-170.4169.4-164.200111.4C44 I46 S50 R51C44-E48 PolarHBondContact O-N 3.43Å; I46-E48 VanDerWaalsContact C-N 3.34Å; I46-E48 PolarHBondContact O-N 3.45Å; E48-S50 VanDerWaalsContact C-N 3.26Å; E48-S50 PolarHBondContact O-N 2.53Å; E48-R51 WeakPolarHBondContact O-CB 3.42Å; E48-R51 PolarHBondContact O-N 3.25Å
49D92.3Very high93.8Very high34 Ų3466 Ų6618%0.18234%0.341CS..Hα-helixtrans-61-34.2-179-72.1-18.6000112.2H7 R11 A45 I46 R51 D52 Q53 L56H7-D49 IonicContact CE1-OD2 3.42Å; H7-D49 PolarHBondContact CE1-OD2 3.03Å; R11-D49 IonicContact CZ-OD2 3.35Å; R11-D49 IonicContact NE-OD2 2.73Å; R11-D49 PolarHBondContact NE-OD2 3.41Å; R11-D49 IonicContact NH2-OD2 3.08Å; R11-D49 PolarHBondContact NH2-OD2 2.98Å; R11-D49 VanDerWaalsContact NH2-OD2 3.08Å; A45-D49 WeakPolarHBondContact O-CB 3.46Å; A45-D49 VanDerWaalsContact O-CG 3.3Å; A45-D49 PolarHBondContact O-N 3.48Å; I46-D49 PolarHBondContact O-N 3.23Å; D49-R51 PolarHBondContact O-N 2.81Å; D49-D52 PolarHBondContact O-N 3.03Å; D49-Q53 WeakPolarHBondContact O-CB 3.18Å; D49-Q53 PolarHBondContact O-N 2.89Å; D49-L56 HydrophobicContact CB-CD1 3.64Å
50S93.4Very high94Very high11 Ų1166.7 Ų66.78%0.07735%0.345CS..Hα-helixtrans-65.9-20-178.572.10000114.4I46 L47 E48 D52 Q53I46-S50 WeakPolarHBondContact O-CB 3.35Å; I46-S50 PolarHBondContact O-N 3.15Å; I46-S50 PolarHBondContact O-OG 3.02Å; L47-S50 PolarHBondContact O-OG 3.04Å; E48-S50 VanDerWaalsContact C-N 3.26Å; E48-S50 PolarHBondContact O-N 2.53Å; S50-D52 VanDerWaalsContact C-N 3.35Å; S50-Q53 CarbonylContact O-C 3.57Å
51R92.4Very high94.2Very high183 Ų18365.2 Ų65.269%0.69134%0.344SS*.Hα-helixtrans-65.6-40.3177.1-65.4175.1-179.81790.8111.5E48 D49E48-R51 WeakPolarHBondContact O-CB 3.42Å; E48-R51 PolarHBondContact O-N 3.25Å; D49-R51 PolarHBondContact O-N 2.81Å
52D90.9Very high94.3Very high144 Ų14459.4 Ų59.477%0.7732%0.319SS*.Hα-helixtrans-97.3-21.4179.8-62-40000112.2D49 S50 P54D49-D52 PolarHBondContact O-N 3.03Å; S50-D52 VanDerWaalsContact C-N 3.35Å; D52-P54 WeakPolarHBondContact O-CD 3.34Å
53Q91.9Very high94.4Very high34 Ų3458.6 Ų58.616%0.15932%0.315CS..  trans-123.683.3-176.2-57.6-176-2700111.5S4 V8 D49 S50 Q55 L56S4-Q53 PolarHBondContact OG-NE2 3.15Å; V8-Q53 HydrophobicContact CG2-CB 4.32Å; V8-Q53 HydrophobicContact CG2-CG 4.38Å; V8-Q53 VanDerWaalsContact CG2-OE1 3.24Å; D49-Q53 WeakPolarHBondContact O-CB 3.18Å; D49-Q53 PolarHBondContact O-N 2.89Å; S50-Q53 CarbonylContact O-C 3.57Å; Q53-Q55 PolarHBondContact O-N 3.14Å; Q53-L56 HydrophobicContact CB-CD1 4.14Å; Q53-L56 HydrophobicContact CB-CG 4.42Å; Q53-L56 PolarHBondContact O-N 3.28Å
54P92Very high94.5Very high88 Ų8859.3 Ų59.357%0.57132%0.32SS*.G310 helixtrans-57.9-18.1-179-2634.1000114.8D52 L56 L57D52-P54 WeakPolarHBondContact O-CD 3.34Å; P54-L56 PolarHBondContact O-N 3.37Å; P54-L57 HydrophobicContact CB-CD1 4.23Å; P54-L57 WeakPolarHBondContact O-CB 3.34Å; P54-L57 WeakPolarHBondContact O-CD1 3.37Å; P54-L57 VanDerWaalsContact O-CG 3.28Å; P54-L57 WeakPolarHBondContact O-CG 3.49Å; P54-L57 PolarHBondContact O-N 3.37Å
55Q93.8Very high94.5Very high116 Ų11660.5 Ų60.554%0.54232%0.318SS..G310 helixtrans-62.8-16.8174.9-60.3-178.918.600113.5V8 K12 Q53 E59V8-Q55 HydrophobicContact CG1-CB 4.14Å; K12-Q55 WeakPolarHBondContact CE-O 3.46Å; K12-Q55 PolarHBondContact NZ-O 3.46Å; Q53-Q55 PolarHBondContact O-N 3.14Å; Q55-E59 VanDerWaalsContact O-OE2 3.14Å
56L95.4Very high94.5Very high0 Ų059.8 Ų59.80%031%0.311CS..G310 helixtrans-93.20179.4-66.9175.5000113.9V8 R11 K12 D49 Q53 P54 A58 E59 L60V8-L56 HydrophobicContact CG1-CD2 3.89Å; V8-L56 HydrophobicContact CG1-CG 4.3Å; R11-L56 HydrophobicContact CB-CD1 4.4Å; R11-L56 HydrophobicContact CB-CD2 3.79Å; R11-L56 HydrophobicContact CG-CD1 4.36Å; K12-L56 HydrophobicContact CG-CD2 4.13Å; D49-L56 HydrophobicContact CB-CD1 3.64Å; Q53-L56 HydrophobicContact CB-CD1 4.14Å; Q53-L56 HydrophobicContact CB-CG 4.42Å; Q53-L56 PolarHBondContact O-N 3.28Å; P54-L56 PolarHBondContact O-N 3.37Å; L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.42Å; L56-E59 WeakPolarHBondContact CA-OE2 3.25Å; L56-E59 WeakPolarHBondContact O-CB 3.41Å; L56-E59 PolarHBondContact O-N 3.26Å; L56-E59 VanDerWaalsContact O-N 3.13Å; L56-L60 PolarHBondContact O-N 2.82Å
57L95.7Very high94.4Very high97 Ų9761.9 Ų61.951%0.50832%0.321SS..Hα-helixtrans-62.7-32.6-178.2-70.9171.7000113.2P54 L60 S61P54-L57 HydrophobicContact CB-CD1 4.23Å; P54-L57 WeakPolarHBondContact O-CB 3.34Å; P54-L57 WeakPolarHBondContact O-CD1 3.37Å; P54-L57 VanDerWaalsContact O-CG 3.28Å; P54-L57 WeakPolarHBondContact O-CG 3.49Å; P54-L57 PolarHBondContact O-N 3.37Å; L57-L60 PolarHBondContact O-N 3Å; L57-S61 PolarHBondContact O-N 3.37Å; L57-S61 VanDerWaalsContact O-N 3.08Å
58A95.8Very high94.2Very high70 Ų7064.8 Ų64.858%0.57933%0.333SS*.Hα-helixtrans-67.1-40.4175.400000111.2L56 S61 A62L56-A58 VanDerWaalsContact C-N 3.27Å; L56-A58 PolarHBondContact O-N 3.42Å; A58-S61 PolarHBondContact O-N 2.63Å; A58-A62 PolarHBondContact O-N 2.86Å
59E96.7Very high93.9Very high29 Ų2961.9 Ų61.914%0.13632%0.32CS..Hα-helixtrans-69.6-37176.7-70.273-165.400112K12 V15 I46 Q55 L56 A62 V63K12-E59 HydrophobicContact CB-CG 4.38Å; K12-E59 VanDerWaalsContact CD-OE1 3.28Å; K12-E59 WeakPolarHBondContact CD-OE1 3.37Å; K12-E59 WeakPolarHBondContact CE-OE1 3.1Å; K12-E59 HydrophobicContact CG-CG 3.94Å; K12-E59 VanDerWaalsContact CG-OE1 3.27Å; K12-E59 WeakPolarHBondContact CG-OE1 3.4Å; K12-E59 VanDerWaalsContact NZ-CD 3.27Å; K12-E59 IonicContact NZ-OE1 2.76Å; K12-E59 PolarHBondContact NZ-OE1 3.24Å; K12-E59 IonicContact NZ-OE2 3.07Å; K12-E59 PolarHBondContact NZ-OE2 3.23Å; K12-E59 VanDerWaalsContact NZ-OE2 3.07Å; V15-E59 HydrophobicContact CB-CB 4.34Å; V15-E59 HydrophobicContact CB-CG 4.32Å; V15-E59 HydrophobicContact CG1-CB 4.21Å; V15-E59 HydrophobicContact CG1-CG 4.38Å; V15-E59 HydrophobicContact CG2-CB 4.14Å; I46-E59 HydrophobicContact CG2-CB 4.46Å; Q55-E59 VanDerWaalsContact O-OE2 3.14Å; L56-E59 WeakPolarHBondContact CA-OE2 3.25Å; L56-E59 WeakPolarHBondContact O-CB 3.41Å; L56-E59 PolarHBondContact O-N 3.26Å; L56-E59 VanDerWaalsContact O-N 3.13Å; E59-A62 WeakPolarHBondContact O-CB 3.39Å; E59-A62 PolarHBondContact O-N 2.88Å; E59-V63 WeakPolarHBondContact O-CG2 3.19Å; E59-V63 PolarHBondContact O-N 2.9Å
60L96.3Very high93.7Very high15 Ų1561.9 Ų61.98%0.07932%0.317CS..Hα-helixtrans-58.4-50.4171.5179.659.1000110.6Y43 I46 L47 L56 L57 A62 V63 E64Y43-L60 HydrophobicContact CD2-CD1 4.04Å; Y43-L60 HydrophobicContact CE2-CD1 3.85Å; I46-L60 HydrophobicContact CG2-CB 3.81Å; I46-L60 HydrophobicContact CG2-CD1 4.2Å; L47-L60 HydrophobicContact CB-CD1 4.03Å; L47-L60 HydrophobicContact CD1-CD1 4.16Å; L47-L60 HydrophobicContact CD1-CD2 3.89Å; L56-L60 PolarHBondContact O-N 2.82Å; L57-L60 PolarHBondContact O-N 3Å; L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 3.29Å; L60-V63 PolarHBondContact O-N 3.13Å; L60-V63 VanDerWaalsContact O-N 3.1Å; L60-E64 HydrophobicContact CD1-CG 4.38Å; L60-E64 HydrophobicContact CG-CG 4.48Å; L60-E64 WeakPolarHBondContact O-CG 3.44Å; L60-E64 PolarHBondContact O-N 3.3Å
61S96.9Very high93.4Very high53 Ų5366.7 Ų66.737%0.37134%0.338SS..Hα-helixtrans-59.4-38.4178.1-174.50000112.3L57 A58 E64 Q65L57-S61 PolarHBondContact O-N 3.37Å; L57-S61 VanDerWaalsContact O-N 3.08Å; A58-S61 PolarHBondContact O-N 2.63Å; S61-E64 PolarHBondContact O-N 2.85Å; S61-Q65 WeakPolarHBondContact O-CG 3.24Å; S61-Q65 PolarHBondContact O-N 3.4Å
62A96.2Very high92.9Very high12 Ų1265 Ų6510%0.09933%0.332CS..Hα-helixtrans-62.4-44.2174.800000112.2V15 A58 E59 L60 Q65 L66V15-A62 HydrophobicContact CG1-CB 4.11Å; A58-A62 PolarHBondContact O-N 2.86Å; E59-A62 WeakPolarHBondContact O-CB 3.39Å; E59-A62 PolarHBondContact O-N 2.88Å; L60-A62 VanDerWaalsContact C-N 3.27Å; L60-A62 PolarHBondContact O-N 3.29Å; A62-Q65 WeakPolarHBondContact O-CB 3.37Å; A62-Q65 PolarHBondContact O-N 2.69Å; A62-L66 WeakPolarHBondContact O-CG 3.23Å; A62-L66 PolarHBondContact O-N 3.31Å; A62-L66 VanDerWaalsContact O-N 3.17Å
63V95.9Very high92.2Very high0 Ų058.6 Ų58.60%030%0.299CS..Hα-helixtrans-69.7-37.4178.6-1790000111.4V15 I42 Y43 E59 L60 Q65 L66 M67V15-V63 HydrophobicContact CB-CG2 4.49Å; V15-V63 HydrophobicContact CG1-CG2 3.85Å; V15-V63 HydrophobicContact CG2-CG2 3.87Å; I42-V63 HydrophobicContact CG2-CG1 4.46Å; I42-V63 HydrophobicContact CG2-CG2 3.93Å; Y43-V63 HydrophobicContact CD2-CG1 4.22Å; Y43-V63 HydrophobicContact CG-CG1 4.45Å; E59-V63 WeakPolarHBondContact O-CG2 3.19Å; E59-V63 PolarHBondContact O-N 2.9Å; L60-V63 PolarHBondContact O-N 3.13Å; L60-V63 VanDerWaalsContact O-N 3.1Å; V63-Q65 VanDerWaalsContact C-N 3.3Å; V63-Q65 PolarHBondContact O-N 3.39Å; V63-L66 WeakPolarHBondContact O-CB 3.32Å; V63-L66 PolarHBondContact O-N 3.5Å; V63-L66 VanDerWaalsContact O-N 3.12Å; V63-M67 PolarHBondContact O-N 2.94Å
64E96.3Very high91.4Very high72 Ų7260.1 Ų60.134%0.33631%0.308SS..Hα-helixtrans-58.9-41172.8-73.7173.7161.600111.9Y43 L60 S61 L66 M67 Q68Y43-E64 HydrophobicContact CD2-CG 4.27Å; Y43-E64 HydrophobicContact CE2-CG 3.7Å; L60-E64 HydrophobicContact CD1-CG 4.38Å; L60-E64 HydrophobicContact CG-CG 4.48Å; L60-E64 WeakPolarHBondContact O-CG 3.44Å; L60-E64 PolarHBondContact O-N 3.3Å; S61-E64 PolarHBondContact O-N 2.85Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-M67 PolarHBondContact O-N 3.5Å; E64-Q68 WeakPolarHBondContact O-CG 3.29Å; E64-Q68 PolarHBondContact O-N 2.98Å
65Q95.2Very high90.4Very high102 Ų10257.8 Ų57.848%0.47730%0.299SS..Hα-helixtrans-62-42.7173.9-73175.66.600111.6S61 A62 V63 M67 Q68 E69S61-Q65 WeakPolarHBondContact O-CG 3.24Å; S61-Q65 PolarHBondContact O-N 3.4Å; A62-Q65 WeakPolarHBondContact O-CB 3.37Å; A62-Q65 PolarHBondContact O-N 2.69Å; V63-Q65 VanDerWaalsContact C-N 3.3Å; V63-Q65 PolarHBondContact O-N 3.39Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; Q65-M67 PolarHBondContact O-N 3.21Å; Q65-Q68 WeakPolarHBondContact O-CB 3.22Å; Q65-Q68 PolarHBondContact O-N 3Å; Q65-E69 WeakPolarHBondContact O-CG 3.18Å; Q65-E69 PolarHBondContact O-N 3.46Å
66L94Very high88.8Confident11 Ų1156 Ų566%0.05830%0.3CS..Hα-helixtrans-63.9-37.4176-64.5178.2000112.2L18 Q19 V22 I39 A62 V63 E64 E69 R70L18-L66 HydrophobicContact CD2-CD1 3.85Å; L18-L66 HydrophobicContact CG-CD1 3.74Å; Q19-L66 HydrophobicContact CG-CD1 4.04Å; V22-L66 HydrophobicContact CB-CD2 4.15Å; V22-L66 HydrophobicContact CG1-CD2 3.99Å; V22-L66 HydrophobicContact CG2-CD1 4.46Å; V22-L66 HydrophobicContact CG2-CD2 4.25Å; I39-L66 HydrophobicContact CD1-CB 4.49Å; A62-L66 WeakPolarHBondContact O-CG 3.23Å; A62-L66 PolarHBondContact O-N 3.31Å; A62-L66 VanDerWaalsContact O-N 3.17Å; V63-L66 WeakPolarHBondContact O-CB 3.32Å; V63-L66 PolarHBondContact O-N 3.5Å; V63-L66 VanDerWaalsContact O-N 3.12Å; E64-L66 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 3.44Å; L66-R70 PolarHBondContact O-N 3.47Å
67M92Very high87.2Confident45 Ų4557 Ų5722%0.22231%0.307CS..Hα-helixtrans-63.9-42.3172.7-71-17275.600111.7I39 Y43 V63 E64 Q65 E69 R70 E71I39-M67 HydrophobicContact CG2-CG 3.62Å; Y43-M67 HydrophobicContact CD1-CE 4.2Å; Y43-M67 HydrophobicContact CD1-SD 3.59Å; Y43-M67 VanDerWaalsContact CD1-SD 3.59Å; Y43-M67 HydrophobicContact CD2-SD 3.5Å; Y43-M67 VanDerWaalsContact CD2-SD 3.5Å; Y43-M67 HydrophobicContact CE1-SD 4.1Å; Y43-M67 HydrophobicContact CE2-SD 4.03Å; Y43-M67 HydrophobicContact CG-CE 4.4Å; Y43-M67 HydrophobicContact CG-SD 3.25Å; V63-M67 PolarHBondContact O-N 2.94Å; E64-M67 PolarHBondContact O-N 3.5Å; Q65-M67 VanDerWaalsContact C-N 3.33Å; Q65-M67 PolarHBondContact O-N 3.21Å; M67-E69 VanDerWaalsContact C-N 3.31Å; M67-E69 PolarHBondContact O-N 2.91Å; M67-R70 WeakPolarHBondContact O-CB 3.22Å; M67-R70 PolarHBondContact O-N 3.05Å; M67-E71 WeakPolarHBondContact O-CG 3.37Å; M67-E71 PolarHBondContact O-N 3.19Å
68Q90.9Very high85.8Confident113 Ų11357.9 Ų57.953%0.52832%0.317SS..Hα-helixtrans-64.8-35.9175.1-68.6172.814.900112.3E64 Q65 R72E64-Q68 WeakPolarHBondContact O-CG 3.29Å; E64-Q68 PolarHBondContact O-N 2.98Å; Q65-Q68 WeakPolarHBondContact O-CB 3.22Å; Q65-Q68 PolarHBondContact O-N 3Å; Q68-R72 WeakPolarHBondContact O-CB 3.45Å; Q68-R72 WeakPolarHBondContact O-CG 3.44Å; Q68-R72 PolarHBondContact O-N 3.02Å; Q68-R72 PolarHBondContact O-NE 2.81Å
69E88.8Confident85.2Confident71 Ų7157.3 Ų57.333%0.33230%0.299SS..Hα-helixtrans-64.8-41.8172.2-74.4179.9-171.700111.8F30 Q65 L66 M67 R72 A73F30-E69 HydrophobicContact CE2-CB 4.16Å; F30-E69 HydrophobicContact CZ-CB 3.7Å; Q65-E69 WeakPolarHBondContact O-CG 3.18Å; Q65-E69 PolarHBondContact O-N 3.46Å; L66-E69 PolarHBondContact O-N 3.44Å; M67-E69 VanDerWaalsContact C-N 3.31Å; M67-E69 PolarHBondContact O-N 2.91Å; E69-R72 VanDerWaalsContact CG-NH2 3.3Å; E69-R72 CarbonylContact O-C 3.58Å; E69-R72 PolarHBondContact O-N 2.75Å; E69-A73 VanDerWaalsContact O-CB 3.24Å; E69-A73 WeakPolarHBondContact O-CB 3.35Å; E69-A73 PolarHBondContact O-N 2.86Å
70R87.8Confident84.6Confident33 Ų3359.7 Ų59.713%0.12532%0.324CS..Hα-helixtrans-58.4-50.4172.9178.4-177.2167.5-83.610.5111.3F30 E40 L66 M67 R72 A73 L74F30-R70 HydrophobicContact CB-CG 4.24Å; F30-R70 HydrophobicContact CD1-CB 3.41Å; F30-R70 VanDerWaalsContact CD1-CB 3.41Å; F30-R70 HydrophobicContact CD1-CG 3.78Å; F30-R70 HydrophobicContact CE1-CB 3.67Å; F30-R70 HydrophobicContact CG-CB 4.08Å; F30-R70 HydrophobicContact CG-CG 4.27Å; E40-R70 IonicContact OE1-CZ 3.47Å; E40-R70 VanDerWaalsContact OE1-CZ 3.25Å; E40-R70 IonicContact OE1-NE 3.48Å; E40-R70 IonicContact OE1-NH1 3.62Å; E40-R70 IonicContact OE1-NH2 2.62Å; E40-R70 PolarHBondContact OE1-NH2 2.87Å; L66-R70 PolarHBondContact O-N 3.47Å; M67-R70 WeakPolarHBondContact O-CB 3.22Å; M67-R70 PolarHBondContact O-N 3.05Å; R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact O-N 2.94Å; R70-A73 WeakPolarHBondContact O-CB 3.32Å; R70-A73 PolarHBondContact O-N 2.87Å; R70-A73 VanDerWaalsContact O-N 3.12Å; R70-L74 HydrophobicContact CG-CD1 3.79Å; R70-L74 HydrophobicContact CG-CG 4.29Å; R70-L74 WeakPolarHBondContact O-CB 3.24Å; R70-L74 WeakPolarHBondContact O-CG 3.33Å; R70-L74 PolarHBondContact O-N 3.4Å
71E85.6Confident84.3Confident112 Ų11262.1 Ų62.152%0.52334%0.341SS..Hα-helixtrans-60.4-41.5178.1-69.2-55.7139.700111.5M67 G75M67-E71 WeakPolarHBondContact O-CG 3.37Å; M67-E71 PolarHBondContact O-N 3.19Å; E71-G75 WeakPolarHBondContact O-CA 3.49Å; E71-G75 PolarHBondContact O-N 3.14Å
72R82.2Confident84Confident149 Ų14961.2 Ų61.256%0.56233%0.333SS*.Hα-helixtrans-64.4-40.3173-79.2-177.7-83.3132.8-7.6112.3Q68 E69 R70 S76Q68-R72 WeakPolarHBondContact O-CB 3.45Å; Q68-R72 WeakPolarHBondContact O-CG 3.44Å; Q68-R72 PolarHBondContact O-N 3.02Å; Q68-R72 PolarHBondContact O-NE 2.81Å; E69-R72 VanDerWaalsContact CG-NH2 3.3Å; E69-R72 CarbonylContact O-C 3.58Å; E69-R72 PolarHBondContact O-N 2.75Å; R70-R72 VanDerWaalsContact C-N 3.31Å; R70-R72 PolarHBondContact O-N 2.94Å; R72-S76 WeakPolarHBondContact O-CB 3.34Å; R72-S76 PolarHBondContact O-N 3.4Å; R72-S76 PolarHBondContact O-OG 3.41Å; R72-S76 VanDerWaalsContact O-OG 3.06Å
73A76.8Confident83.9Confident9 Ų963.3 Ų63.37%0.07434%0.342CS..Hα-helixtrans-66.9-48.1179.700000111.2H27 F30 E69 R70 S76 S77H27-A73 PolarHBondContact NE2-O 3.15Å; F30-A73 HydrophobicContact CB-CB 4.05Å; F30-A73 HydrophobicContact CD2-CB 3.39Å; F30-A73 HydrophobicContact CE2-CB 4.08Å; F30-A73 HydrophobicContact CG-CB 3.98Å; E69-A73 VanDerWaalsContact O-CB 3.24Å; E69-A73 WeakPolarHBondContact O-CB 3.35Å; E69-A73 PolarHBondContact O-N 2.86Å; R70-A73 WeakPolarHBondContact O-CB 3.32Å; R70-A73 PolarHBondContact O-N 2.87Å; R70-A73 VanDerWaalsContact O-N 3.12Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.33Å; A73-S77 WeakPolarHBondContact O-CB 3.45Å; A73-S77 PolarHBondContact O-N 2.91Å
74L74.8Confident83.8Confident66 Ų6663.4 Ų63.435%0.34634%0.342SS..Hα-helixtrans-65.1-40.5176.4-66.7175000111.3R70 S77R70-L74 HydrophobicContact CG-CD1 3.79Å; R70-L74 HydrophobicContact CG-CG 4.29Å; R70-L74 WeakPolarHBondContact O-CB 3.24Å; R70-L74 WeakPolarHBondContact O-CG 3.33Å; R70-L74 PolarHBondContact O-N 3.4Å; L74-S77 PolarHBondContact O-N 3.47Å
75G70.9Confident83.6Confident38 Ų3860 Ų6039%0.39233%0.327SS..Hα-helixtrans-68.7-37.1174.200000113.9E71 S77 T78E71-G75 WeakPolarHBondContact O-CA 3.49Å; E71-G75 PolarHBondContact O-N 3.14Å; G75-S77 VanDerWaalsContact C-N 3.3Å; G75-T78 WeakPolarHBondContact O-CB 3.38Å; G75-T78 VanDerWaalsContact O-CG2 3.23Å; G75-T78 WeakPolarHBondContact O-CG2 3.43Å; G75-T78 PolarHBondContact O-N 3.35Å; G75-T78 PolarHBondContact O-OG1 3.12Å
76S60.5Low83.5Confident79 Ų7957.3 Ų57.355%0.55232%0.315SS*.Hα-helixtrans-71.9-26.7175.269.30000112.6R72 A73 T78R72-S76 WeakPolarHBondContact O-CB 3.34Å; R72-S76 PolarHBondContact O-N 3.4Å; R72-S76 PolarHBondContact O-OG 3.41Å; R72-S76 VanDerWaalsContact O-OG 3.06Å; A73-S76 PolarHBondContact O-N 3.5Å; A73-S76 PolarHBondContact O-OG 3.33Å; S76-T78 PolarHBondContact O-N 2.82Å
77S61.6Low83.1Confident22 Ų2258.3 Ų58.315%0.15432%0.323CS..THydrogen-bonded Turntrans-70.3-5.3174.1-156.20000112.5A73 L74 G75 R79 F102A73-S77 WeakPolarHBondContact O-CB 3.45Å; A73-S77 PolarHBondContact O-N 2.91Å; L74-S77 PolarHBondContact O-N 3.47Å; G75-S77 VanDerWaalsContact C-N 3.3Å; S77-R79 PolarHBondContact O-N 2.58Å; S77-F102 WeakPolarHBondContact O-CZ 3.38Å; S77-F102 WeakPolarHBondContact OG-CE1 3.41Å
78T66.5Low82.6Confident115 Ų11557.4 Ų57.471%0.70633%0.325SS*.THydrogen-bonded Turntrans-74.712.7177.171.80000113.9G75 S76G75-T78 WeakPolarHBondContact O-CB 3.38Å; G75-T78 VanDerWaalsContact O-CG2 3.23Å; G75-T78 WeakPolarHBondContact O-CG2 3.43Å; G75-T78 PolarHBondContact O-N 3.35Å; G75-T78 PolarHBondContact O-OG1 3.12Å; S76-T78 PolarHBondContact O-N 2.82Å
79R82.3Confident82.4Confident58 Ų5854.5 Ų54.522%0.21932%0.315CS..SBendtrans-62.3146.717272.5165179.373.1-3.1109.9S77 S97 P98 D103S77-R79 PolarHBondContact O-N 2.58Å; R79-S97 PolarHBondContact NE-OG 3.18Å; R79-S97 PolarHBondContact NH2-OG 3.42Å; R79-P98 PolarHBondContact NH2-O 3.46Å; R79-D103 IonicContact CZ-OD1 2.62Å; R79-D103 IonicContact CZ-OD2 3.44Å; R79-D103 IonicContact NH1-OD1 2.74Å; R79-D103 PolarHBondContact NH1-OD1 3.43Å; R79-D103 IonicContact NH1-OD2 3.69Å; R79-D103 IonicContact NH2-OD1 2.94Å; R79-D103 PolarHBondContact NH2-OD1 3.4Å; R79-D103 IonicContact NH2-OD2 3.29Å; R79-D103 PolarHBondContact NH2-OD2 3.1Å
80A85.3Confident82.4Confident79 Ų7952 Ų5265%0.65331%0.305SS*.PPolyproline II helixtrans-57.7142172.400000110V82A80-V82 PolarHBondContact O-N 2.69Å
81P88.8Confident82.4Confident66 Ų6656.1 Ų56.143%0.42932%0.32SS..PPolyproline II helixtrans-57.3131.8174.1-22.230.9000110.6F102 L104P81-F102 HydrophobicContact CB-CD2 4.1Å; P81-F102 HydrophobicContact CG-CD2 3.96Å; P81-F102 HydrophobicContact CG-CE2 4.43Å; P81-L104 HydrophobicContact CB-CD1 4Å; P81-L104 HydrophobicContact CB-CG 3.86Å
82V91.5Very high82.3Confident33 Ų3355.7 Ų55.720%0.232%0.322CS..PPolyproline II helixtrans-95.8161.4174.4-61.50000110.3A80 L84 L93 P94 D103 L104A80-V82 PolarHBondContact O-N 2.69Å; V82-L84 HydrophobicContact CG2-CD2 3.96Å; V82-L93 HydrophobicContact CG2-CD2 3.97Å; V82-P94 HydrophobicContact CG1-CG 4.29Å; V82-D103 HydrophobicContact CG2-CB 4.4Å; V82-D103 WeakPolarHBondContact CG2-OD1 3.43Å; V82-D103 PolarHBondContact N-OD1 3.06Å; V82-L104 PolarHBondContact O-N 3.13Å
83I94Very high82.1Confident57 Ų5749.7 Ų49.729%0.29230%0.3SS..EExtended strand (participates in β ladder)trans-87.5114.8171.6-62.1164.7000107.2L85 R91 L104 I106I83-L85 WeakPolarHBondContact CG2-O 3.4Å; I83-R91 HydrophobicContact CG2-CG 4.08Å; I83-R91 VanDerWaalsContact O-CB 3.29Å; I83-R91 WeakPolarHBondContact O-CB 3.47Å; I83-L104 CarbonylContact C-O 3.48Å; I83-L104 VanDerWaalsContact CA-O 3.29Å; I83-L104 WeakPolarHBondContact CA-O 3.24Å; I83-I106 HydrophobicContact CD1-CD1 3.81Å; I83-I106 HydrophobicContact CG1-CD1 4.48Å; I83-I106 HydrophobicContact CG2-CD1 4.21Å; I83-I106 HydrophobicContact CG2-CG1 4.21Å
84L93.4Very high82.2Confident1 Ų152.2 Ų52.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-79.8-45.2177.4-54.6178.8000111.5V82 R91 L93 A99 D103 L104 V251V82-L84 HydrophobicContact CG2-CD2 3.96Å; L84-R91 PolarHBondContact O-N 2.93Å; L84-L93 HydrophobicContact CD2-CD2 3.44Å; L84-L93 VanDerWaalsContact CD2-CD2 3.44Å; L84-A99 HydrophobicContact CD1-CB 3.77Å; L84-A99 HydrophobicContact CD2-CB 3.64Å; L84-A99 HydrophobicContact CG-CB 4.37Å; L84-D103 HydrophobicContact CD1-CB 3.77Å; L84-D103 HydrophobicContact CD2-CB 3.75Å; L84-D103 HydrophobicContact CG-CB 3.61Å; L84-L104 PolarHBondContact N-O 3.28Å; L84-V251 HydrophobicContact CD1-CG1 3.71Å
85L93.1Very high82.3Confident2 Ų255.8 Ų55.81%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-131135.6-173.3-70.8164.4000109.8I83 T89 V90 C105 I106 P169 L255I83-L85 WeakPolarHBondContact CG2-O 3.4Å; L85-T89 CarbonylContact C-O 3.36Å; L85-T89 WeakPolarHBondContact CA-O 3.38Å; L85-V90 HydrophobicContact CD2-CB 4.42Å; L85-V90 HydrophobicContact CD2-CG2 3.81Å; L85-C105 HydrophobicContact CB-CB 4.28Å; L85-C105 WeakPolarHBondContact O-CA 3.25Å; L85-I106 PolarHBondContact O-N 2.94Å; L85-P169 HydrophobicContact CD1-CB 4.17Å; L85-P169 WeakPolarHBondContact CD1-O 3.49Å; L85-L255 HydrophobicContact CD1-CD2 4.35Å; L85-L255 HydrophobicContact CD2-CD2 3.94Å; L85-L255 HydrophobicContact CG-CD2 4.15Å
86D92.3Very high82.4Confident45 Ų4559.3 Ų59.324%0.24134%0.344CS..EExtended strand (participates in β ladder)trans-123.9102.6171.8-176.1-1000109.8G88 T89 R91D86-G88 PolarHBondContact O-N 3.24Å; D86-G88 VanDerWaalsContact O-N 3.15Å; D86-T89 PolarHBondContact N-O 3.08Å; D86-T89 WeakPolarHBondContact O-CB 3.43Å; D86-T89 PolarHBondContact O-N 3.27Å; D86-T89 PolarHBondContact O-OG1 3.39Å; D86-R91 HydrophobicContact CB-CG 4.13Å; D86-R91 IonicContact OD2-NH1 3.05Å; D86-R91 PolarHBondContact OD2-NH1 3.08Å
87S86.6Confident83.5Confident31 Ų3156.2 Ų56.222%0.21732%0.322CS..THydrogen-bonded Turntrans51.240.3179.6-49.70000112.4I106S87-I106 PolarHBondContact N-O 3.07Å
88G81.4Confident84.8Confident26 Ų2657.5 Ų57.527%0.26833%0.33SS..THydrogen-bonded Turntrans90.7-8.8-177.600000115.4D86 R258D86-G88 PolarHBondContact O-N 3.24Å; D86-G88 VanDerWaalsContact O-N 3.15Å; G88-R258 PolarHBondContact O-NE 2.98Å; G88-R258 PolarHBondContact O-NH2 3.14Å
89T86.4Confident85.9Confident53 Ų5352.3 Ų52.333%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-87.7126.3175.3-48.50000109.6L85 D86L85-T89 CarbonylContact C-O 3.36Å; L85-T89 WeakPolarHBondContact CA-O 3.38Å; D86-T89 PolarHBondContact N-O 3.08Å; D86-T89 WeakPolarHBondContact O-CB 3.43Å; D86-T89 PolarHBondContact O-N 3.27Å; D86-T89 PolarHBondContact O-OG1 3.39Å
90V88.2Confident86.1Confident17 Ų1750.6 Ų50.610%0.10329%0.294CS..EExtended strand (participates in β ladder)trans-69.4130.6173.2-1750000108.7L85 L255L85-V90 HydrophobicContact CD2-CB 4.42Å; L85-V90 HydrophobicContact CD2-CG2 3.81Å; V90-L255 HydrophobicContact CG1-CD2 4.11Å; V90-L255 HydrophobicContact CG2-CD2 3.88Å
91R88.3Confident86Confident121 Ų12148.3 Ų48.346%0.45727%0.273SS..PPolyproline II helixtrans-94.2155.4176.5-60-65-73.7-138.43.6110.2I83 L84 D86 L93I83-R91 HydrophobicContact CG2-CG 4.08Å; I83-R91 VanDerWaalsContact O-CB 3.29Å; I83-R91 WeakPolarHBondContact O-CB 3.47Å; L84-R91 PolarHBondContact O-N 2.93Å; D86-R91 HydrophobicContact CB-CG 4.13Å; D86-R91 IonicContact OD2-NH1 3.05Å; D86-R91 PolarHBondContact OD2-NH1 3.08Å; R91-L93 PolarHBondContact O-N 3.19Å; R91-L93 VanDerWaalsContact O-N 3.16Å
92D82.6Confident85.9Confident103 Ų10346.9 Ų46.955%0.55126%0.26SS*.PPolyproline II helixtrans-62.1118.6176.4-64.2-23000110.4H425D92-H425 IonicContact OD1-CE1 3.49Å; D92-H425 PolarHBondContact OD1-CE1 2.76Å; D92-H425 IonicContact OD1-CG 3.64Å; D92-H425 IonicContact OD1-ND1 2.67Å; D92-H425 PolarHBondContact OD1-ND1 3.07Å
93L79.7Confident85.9Confident22 Ų2245.3 Ų45.312%0.11525%0.25CS..PPolyproline II helixtrans-84145.9172.3-61177.4000109.3V82 L84 R91 Q225 L255V82-L93 HydrophobicContact CG2-CD2 3.97Å; L84-L93 HydrophobicContact CD2-CD2 3.44Å; L84-L93 VanDerWaalsContact CD2-CD2 3.44Å; R91-L93 PolarHBondContact O-N 3.19Å; R91-L93 VanDerWaalsContact O-N 3.16Å; L93-Q225 PolarHBondContact O-NE2 2.82Å; L93-L255 HydrophobicContact CD1-CD1 4.35Å
94P78.4Confident85.9Confident62 Ų6244.1 Ų44.140%0.40324%0.244SC..PPolyproline II helixtrans-53.1147.1170-21.231.1000111.1V82 N96 S97 Q225V82-P94 HydrophobicContact CG1-CG 4.29Å; P94-N96 PolarHBondContact O-N 3.43Å; P94-S97 WeakPolarHBondContact O-CB 3.37Å; P94-S97 PolarHBondContact O-N 3.06Å; P94-Q225 PolarHBondContact O-NE2 3.27Å
95I76.3Confident86Confident141 Ų14144.1 Ų44.172%0.72324%0.244SC*.THydrogen-bonded Turntrans-55.5131.3179.2-62.3172000109S97I95-S97 PolarHBondContact O-N 3.36Å; I95-S97 VanDerWaalsContact O-N 3.13Å
96N74Confident86.2Confident113 Ų11345.5 Ų45.560%0.60425%0.251SS*.THydrogen-bonded Turntrans55.624.7-179.2-55.4-26.3000114.7P94P94-N96 PolarHBondContact O-N 3.43Å
97S83.2Confident86.3Confident14 Ų1443.9 Ų43.910%0.09824%0.243CC..  trans-105.2106.4172.8178.40000110R79 P94 I95 N229R79-S97 PolarHBondContact NE-OG 3.18Å; R79-S97 PolarHBondContact NH2-OG 3.42Å; P94-S97 WeakPolarHBondContact O-CB 3.37Å; P94-S97 PolarHBondContact O-N 3.06Å; I95-S97 PolarHBondContact O-N 3.36Å; I95-S97 VanDerWaalsContact O-N 3.13Å; S97-N229 PolarHBondContact O-ND2 2.97Å; S97-N229 VanDerWaalsContact O-ND2 3.13Å
98P88.3Confident86.8Confident48 Ų4846.1 Ų46.131%0.31225%0.248SC..  trans-64.9156.9171.528.5-34000111.1R79 N229R79-P98 PolarHBondContact NH2-O 3.46Å; P98-N229 HydrophobicContact CB-CB 4Å
99A89.8Confident87.5Confident7 Ų744.9 Ų44.96%0.05824%0.236CC..  trans-66.6131.4166.900000109.2L84 V251 N252 L255L84-A99 HydrophobicContact CD1-CB 3.77Å; L84-A99 HydrophobicContact CD2-CB 3.64Å; L84-A99 HydrophobicContact CG-CB 4.37Å; A99-V251 HydrophobicContact CB-CB 4.4Å; A99-V251 HydrophobicContact CB-CG1 3.88Å; A99-N252 VanDerWaalsContact CB-OD1 3.32Å; A99-N252 WeakPolarHBondContact CB-OD1 3.42Å; A99-N252 PolarHBondContact N-OD1 2.95Å; A99-N252 PolarHBondContact O-ND2 2.93Å; A99-L255 HydrophobicContact CB-CD1 4.32Å
100L86.9Confident88Confident22 Ų2243 Ų4312%0.11522%0.223CC..  trans-112.4153180-62.6173.4000110.1F102 D103 S124L100-F102 HydrophobicContact CB-CD1 3.99Å; L100-F102 HydrophobicContact CB-CE1 3.66Å; L100-F102 HydrophobicContact CB-CE2 4.43Å; L100-F102 HydrophobicContact CB-CZ 3.93Å; L100-F102 HydrophobicContact CD1-CE1 3.53Å; L100-F102 HydrophobicContact CD1-CE2 4.26Å; L100-F102 HydrophobicContact CD1-CZ 3.32Å; L100-F102 HydrophobicContact CG-CE1 4.19Å; L100-F102 HydrophobicContact CG-CZ 4.25Å; L100-F102 PolarHBondContact O-N 3.22Å; L100-F102 VanDerWaalsContact O-N 3.08Å; L100-D103 PolarHBondContact N-OD2 3.5Å; L100-D103 VanDerWaalsContact O-CB 3.29Å; L100-D103 WeakPolarHBondContact O-CB 3.37Å; L100-D103 PolarHBondContact O-N 2.91Å; L100-S124 PolarHBondContact O-OG 2.82Å
101P83.1Confident88.3Confident31 Ų3142.3 Ų42.320%0.20122%0.219CC..THydrogen-bonded Turntrans-53.5-35-177.5-2936.1000114.3D103 S124 D125P101-D103 VanDerWaalsContact C-N 3.32Å; P101-D103 PolarHBondContact O-N 3.35Å; P101-S124 PolarHBondContact O-OG 3.39Å; P101-D125 HydrophobicContact CB-CB 4Å; P101-D125 VanDerWaalsContact O-CG 3.23Å; P101-D125 PolarHBondContact O-N 3.09Å
102F85.8Confident87.9Confident36 Ų3639.1 Ų39.116%0.15821%0.213CC..THydrogen-bonded Turntrans-80.2-7.5179.863.9-102000114.9S77 P81 L100S77-F102 WeakPolarHBondContact O-CZ 3.38Å; S77-F102 WeakPolarHBondContact OG-CE1 3.41Å; P81-F102 HydrophobicContact CB-CD2 4.1Å; P81-F102 HydrophobicContact CG-CD2 3.96Å; P81-F102 HydrophobicContact CG-CE2 4.43Å; L100-F102 HydrophobicContact CB-CD1 3.99Å; L100-F102 HydrophobicContact CB-CE1 3.66Å; L100-F102 HydrophobicContact CB-CE2 4.43Å; L100-F102 HydrophobicContact CB-CZ 3.93Å; L100-F102 HydrophobicContact CD1-CE1 3.53Å; L100-F102 HydrophobicContact CD1-CE2 4.26Å; L100-F102 HydrophobicContact CD1-CZ 3.32Å; L100-F102 HydrophobicContact CG-CE1 4.19Å; L100-F102 HydrophobicContact CG-CZ 4.25Å; L100-F102 PolarHBondContact O-N 3.22Å; L100-F102 VanDerWaalsContact O-N 3.08Å
103D91.4Very high87.5Confident0 Ų040.5 Ų40.50%022%0.216CC..  trans-64.4160.4173.7-72.5-39.3000111.2R79 V82 L84 L100 P101 R123 S124R79-D103 IonicContact CZ-OD1 2.62Å; R79-D103 IonicContact CZ-OD2 3.44Å; R79-D103 IonicContact NH1-OD1 2.74Å; R79-D103 PolarHBondContact NH1-OD1 3.43Å; R79-D103 IonicContact NH1-OD2 3.69Å; R79-D103 IonicContact NH2-OD1 2.94Å; R79-D103 PolarHBondContact NH2-OD1 3.4Å; R79-D103 IonicContact NH2-OD2 3.29Å; R79-D103 PolarHBondContact NH2-OD2 3.1Å; V82-D103 HydrophobicContact CG2-CB 4.4Å; V82-D103 WeakPolarHBondContact CG2-OD1 3.43Å; V82-D103 PolarHBondContact N-OD1 3.06Å; L84-D103 HydrophobicContact CD1-CB 3.77Å; L84-D103 HydrophobicContact CD2-CB 3.75Å; L84-D103 HydrophobicContact CG-CB 3.61Å; L100-D103 PolarHBondContact N-OD2 3.5Å; L100-D103 VanDerWaalsContact O-CB 3.29Å; L100-D103 WeakPolarHBondContact O-CB 3.37Å; L100-D103 PolarHBondContact O-N 2.91Å; P101-D103 VanDerWaalsContact C-N 3.32Å; P101-D103 PolarHBondContact O-N 3.35Å; D103-R123 CarbonylContact O-C 3.57Å; D103-R123 WeakPolarHBondContact O-CA 3.42Å; D103-S124 PolarHBondContact O-N 3.22Å
104L94.9Very high87.3Confident31 Ų3141.3 Ų41.316%0.16223%0.226CC..EExtended strand (participates in β ladder)trans-108.6147.6-165-55.7176.5000111.8P81 V82 I83 L84 K121 V122 R123P81-L104 HydrophobicContact CB-CD1 4Å; P81-L104 HydrophobicContact CB-CG 3.86Å; V82-L104 PolarHBondContact O-N 3.13Å; I83-L104 CarbonylContact C-O 3.48Å; I83-L104 VanDerWaalsContact CA-O 3.29Å; I83-L104 WeakPolarHBondContact CA-O 3.24Å; L84-L104 PolarHBondContact N-O 3.28Å; L104-K121 HydrophobicContact CB-CG 4.44Å; L104-K121 HydrophobicContact CD1-CD 4.13Å; L104-K121 HydrophobicContact CD1-CG 4.39Å; L104-V122 CarbonylContact C-O 3.53Å; L104-V122 VanDerWaalsContact CA-O 3.26Å; L104-V122 WeakPolarHBondContact CA-O 3.42Å; L104-R123 HydrophobicContact CD2-CG 3.9Å
105C96Very high87.6Confident1 Ų146.6 Ų46.61%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-121.6136.2169.4-63.30000108.6L85 I107 K121 V122 P169L85-C105 HydrophobicContact CB-CB 4.28Å; L85-C105 WeakPolarHBondContact O-CA 3.25Å; C105-I107 HydrophobicContact CB-CG1 4.22Å; C105-K121 WeakPolarHBondContact O-CA 3.49Å; C105-V122 HydrophobicContact CB-CG2 4.45Å; C105-V122 PolarHBondContact N-O 3.01Å; C105-V122 PolarHBondContact O-N 3.2Å; C105-P169 HydrophobicContact CB-CB 3.72Å; C105-P169 HydrophobicContact CB-CG 3.88Å
106I96.7Very high88.3Confident32 Ų3246.6 Ų46.616%0.16424%0.236CC..EExtended strand (participates in β ladder)trans-96121.2167.9-60.4174.5000107I83 L85 S87 T119 L120 K121I83-I106 HydrophobicContact CD1-CD1 3.81Å; I83-I106 HydrophobicContact CG1-CD1 4.48Å; I83-I106 HydrophobicContact CG2-CD1 4.21Å; I83-I106 HydrophobicContact CG2-CG1 4.21Å; L85-I106 PolarHBondContact O-N 2.94Å; S87-I106 PolarHBondContact N-O 3.07Å; I106-T119 HydrophobicContact CG2-CG2 3.43Å; I106-T119 VanDerWaalsContact CG2-CG2 3.43Å; I106-L120 CarbonylContact C-O 3.48Å; I106-L120 WeakPolarHBondContact CA-O 3.45Å; I106-K121 HydrophobicContact CG1-CG 4.29Å
107I95.5Very high89.3Confident11 Ų1145.1 Ų45.16%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-127.1132.9-176.2-48.9173.3000108.8C105 V109 T119 L120 V122 L131 P169 L178C105-I107 HydrophobicContact CB-CG1 4.22Å; I107-V109 HydrophobicContact CG2-CG2 4.38Å; I107-T119 WeakPolarHBondContact O-CA 3.29Å; I107-L120 PolarHBondContact N-O 2.79Å; I107-L120 PolarHBondContact O-N 2.89Å; I107-V122 HydrophobicContact CD1-CG2 3.61Å; I107-V122 HydrophobicContact CG1-CG2 4.23Å; I107-L131 HydrophobicContact CD1-CD2 4.34Å; I107-P169 HydrophobicContact CD1-CB 3.5Å; I107-P169 VanDerWaalsContact CD1-CB 3.5Å; I107-P169 HydrophobicContact CD1-CG 3.62Å; I107-P169 HydrophobicContact CG1-CB 3.95Å; I107-P169 HydrophobicContact CG1-CG 4.49Å; I107-L178 HydrophobicContact CG2-CB 4.41Å; I107-L178 HydrophobicContact CG2-CD2 3.96Å
108K95.9Very high89.8Confident77 Ų7745.3 Ų45.334%0.33523%0.232SC..EExtended strand (participates in β ladder)trans-90.4127.7167.7-67.8179.6-176.7178.40109.2T117 S118K108-T117 HydrophobicContact CB-CG2 4.11Å; K108-T117 HydrophobicContact CG-CG2 4.49Å; K108-S118 CarbonylContact C-O 3.49Å; K108-S118 WeakPolarHBondContact CA-O 3.32Å
109V96.8Very high90.3Very high0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-115.5126.8174.8-164.40000108.9I107 T117 S118 L120 A135 L139 L149 L178 A180I107-V109 HydrophobicContact CG2-CG2 4.38Å; V109-T117 WeakPolarHBondContact O-CA 3.37Å; V109-S118 PolarHBondContact N-O 3.4Å; V109-S118 PolarHBondContact O-N 2.68Å; V109-L120 HydrophobicContact CG2-CD1 3.71Å; V109-L120 HydrophobicContact CG2-CG 4.21Å; V109-A135 HydrophobicContact CB-CB 4.27Å; V109-A135 HydrophobicContact CG1-CB 3.94Å; V109-A135 HydrophobicContact CG2-CB 4.2Å; V109-L139 HydrophobicContact CB-CD1 4.22Å; V109-L139 HydrophobicContact CG1-CD1 3.93Å; V109-L149 HydrophobicContact CG1-CD2 4.28Å; V109-L178 WeakPolarHBondContact CA-O 3.4Å; V109-L178 HydrophobicContact CG1-CG 4.34Å; V109-L178 HydrophobicContact CG2-CD2 4.05Å; V109-A180 HydrophobicContact CG1-CB 3.75Å
110H96Very high90.6Very high13 Ų1347 Ų476%0.0624%0.241CC..EExtended strand (participates in β ladder)trans-105.5141.3-174.3-56.9-88.3000110.7T117 L178 F179 A180H110-T117 VanDerWaalsContact CE1-CG2 3.45Å; H110-T117 WeakPolarHBondContact CE1-CG2 3.37Å; H110-T117 WeakPolarHBondContact ND1-CG2 3.5Å; H110-T117 PolarHBondContact ND1-OG1 2.97Å; H110-L178 PolarHBondContact CD2-O 3.29Å; H110-L178 PolarHBondContact N-O 2.92Å; H110-F179 HydrophobicContact CB-CD1 3.55Å; H110-F179 HydrophobicContact CB-CE1 3.52Å; H110-F179 HydrophobicContact CB-CG 4.19Å; H110-F179 HydrophobicContact CB-CZ 4.13Å; H110-F179 CarbonylContact O-C 3.56Å; H110-F179 VanDerWaalsContact O-CA 3.24Å; H110-F179 WeakPolarHBondContact O-CA 3.47Å; H110-A180 PolarHBondContact O-N 3.05Å
111C94.2Very high91.1Very high3 Ų352.2 Ų52.22%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-123.2114.5168.8176.30000108A114 H115 R116 L139 L141C111-A114 HydrophobicContact CB-CB 4.37Å; C111-H115 PolarHBondContact O-N 2.87Å; C111-H115 VanDerWaalsContact O-N 3.15Å; C111-R116 PolarHBondContact N-O 2.7Å; C111-R116 PolarHBondContact O-N 3.49Å; C111-L139 HydrophobicContact CB-CB 4.24Å; C111-L139 HydrophobicContact CB-CD1 4.06Å; C111-L139 HydrophobicContact CB-CD2 3.98Å; C111-L139 HydrophobicContact CB-CG 4.31Å; C111-L141 HydrophobicContact CB-CD1 4.5Å
112V80Confident91.7Very high54 Ų5451.1 Ų51.133%0.32726%0.255SS..THydrogen-bonded Turntrans-69.8-46.8-174.8178.60000111.1A114 H115 F179 L189V112-A114 VanDerWaalsContact C-N 3.32Å; V112-A114 PolarHBondContact O-N 3.02Å; V112-H115 PolarHBondContact O-N 3.03Å; V112-H115 PolarHBondContact O-ND1 2.88Å; V112-F179 HydrophobicContact CG2-CD1 3.77Å; V112-F179 HydrophobicContact CG2-CE1 3.61Å; V112-L189 HydrophobicContact CB-CD2 4.46Å; V112-L189 HydrophobicContact CG2-CD2 3.62Å
113E75.8Confident92Very high132 Ų13254.9 Ų54.962%0.61727%0.269SS*.THydrogen-bonded Turntrans-58.1-45-178.2-175.4176-154.700112H115 Q185E113-H115 VanDerWaalsContact C-N 3.27Å; E113-H115 PolarHBondContact O-N 3.13Å; E113-Q185 PolarHBondContact OE2-NE2 2.92Å
114A74.4Confident91.9Very high40 Ų4055 Ų5533%0.33127%0.269SS..THydrogen-bonded Turntrans-80-6.8178.600000113.8C111 V112 R116C111-A114 HydrophobicContact CB-CB 4.37Å; V112-A114 VanDerWaalsContact C-N 3.32Å; V112-A114 PolarHBondContact O-N 3.02Å; A114-R116 HydrophobicContact CB-CB 4.04Å; A114-R116 HydrophobicContact CB-CG 3.87Å; A114-R116 WeakPolarHBondContact O-CG 3.38Å; A114-R116 PolarHBondContact O-N 2.67Å; A114-R116 VanDerWaalsContact O-N 3.15Å
115H83.7Confident91.6Very high172 Ų17255.4 Ų55.480%0.79627%0.272SS*.THydrogen-bonded Turntrans48.236.2-167.6-82.639.4000112.1C111 V112 E113C111-H115 PolarHBondContact O-N 2.87Å; C111-H115 VanDerWaalsContact O-N 3.15Å; V112-H115 PolarHBondContact O-N 3.03Å; V112-H115 PolarHBondContact O-ND1 2.88Å; E113-H115 VanDerWaalsContact C-N 3.27Å; E113-H115 PolarHBondContact O-N 3.13Å
116R91.2Very high91.5Very high142 Ų14256.7 Ų56.754%0.53628%0.278SS..EExtended strand (participates in β ladder)trans-108.4142.7-176.3-76173.3-166.6179.3-1110.2C111 A114 L139C111-R116 PolarHBondContact N-O 2.7Å; C111-R116 PolarHBondContact O-N 3.49Å; A114-R116 HydrophobicContact CB-CB 4.04Å; A114-R116 HydrophobicContact CB-CG 3.87Å; A114-R116 WeakPolarHBondContact O-CG 3.38Å; A114-R116 PolarHBondContact O-N 2.67Å; A114-R116 VanDerWaalsContact O-N 3.15Å; R116-L139 HydrophobicContact CB-CD2 3.85Å; R116-L139 WeakPolarHBondContact CD-O 3.37Å; R116-L139 PolarHBondContact NH1-O 2.92Å; R116-L139 VanDerWaalsContact NH1-O 3.12Å
117T94.9Very high91.3Very high81 Ų8161.6 Ų61.650%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-124.4131.2166.8-590000107.6K108 V109 H110K108-T117 HydrophobicContact CB-CG2 4.11Å; K108-T117 HydrophobicContact CG-CG2 4.49Å; V109-T117 WeakPolarHBondContact O-CA 3.37Å; H110-T117 VanDerWaalsContact CE1-CG2 3.45Å; H110-T117 WeakPolarHBondContact CE1-CG2 3.37Å; H110-T117 WeakPolarHBondContact ND1-CG2 3.5Å; H110-T117 PolarHBondContact ND1-OG1 2.97Å
118S95.7Very high91.2Very high18 Ų1861.1 Ų61.113%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-114.2140.1174.2-175.80000109.5K108 V109 K138K108-S118 CarbonylContact C-O 3.49Å; K108-S118 WeakPolarHBondContact CA-O 3.32Å; V109-S118 PolarHBondContact N-O 3.4Å; V109-S118 PolarHBondContact O-N 2.68Å; S118-K138 WeakPolarHBondContact OG-CB 3.39Å
119T96.8Very high91.2Very high84 Ų8459.1 Ų59.152%0.51529%0.289SS..EExtended strand (participates in β ladder)trans-102.9120.3173-56.90000108.5I106 I107I106-T119 HydrophobicContact CG2-CG2 3.43Å; I106-T119 VanDerWaalsContact CG2-CG2 3.43Å; I107-T119 WeakPolarHBondContact O-CA 3.29Å
120L96.9Very high91.1Very high7 Ų761.7 Ų61.74%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-109.4134.9-179.3-53.8-178.9000109.4I106 I107 V109 V122 L131 L134 A135 K138I106-L120 CarbonylContact C-O 3.48Å; I106-L120 WeakPolarHBondContact CA-O 3.45Å; I107-L120 PolarHBondContact N-O 2.79Å; I107-L120 PolarHBondContact O-N 2.89Å; V109-L120 HydrophobicContact CG2-CD1 3.71Å; V109-L120 HydrophobicContact CG2-CG 4.21Å; L120-V122 HydrophobicContact CB-CG1 4.06Å; L120-L131 HydrophobicContact CD1-CD1 3.87Å; L120-L134 HydrophobicContact CD1-CD2 4.2Å; L120-L134 HydrophobicContact CD1-CG 4.17Å; L120-L134 HydrophobicContact CD2-CD2 4.32Å; L120-L134 HydrophobicContact CD2-CG 4.11Å; L120-A135 HydrophobicContact CD1-CB 3.92Å; L120-K138 HydrophobicContact CD2-CB 4.19Å; L120-K138 HydrophobicContact CD2-CG 3.81Å
121K96.6Very high91.1Very high132 Ų13261.1 Ų61.157%0.57430%0.304SS*.EExtended strand (participates in β ladder)trans-103.7112167.9-167.9-174.4-164.1-1640107.7L104 C105 I106L104-K121 HydrophobicContact CB-CG 4.44Å; L104-K121 HydrophobicContact CD1-CD 4.13Å; L104-K121 HydrophobicContact CD1-CG 4.39Å; C105-K121 WeakPolarHBondContact O-CA 3.49Å; I106-K121 HydrophobicContact CG1-CG 4.29Å
122V95.7Very high91.2Very high7 Ų762.2 Ų62.24%0.04231%0.308CS..EExtended strand (participates in β ladder)trans-130.6158.9-172.1-62.90000110.5L104 C105 I107 L120 I126 L131 L134L104-V122 CarbonylContact C-O 3.53Å; L104-V122 VanDerWaalsContact CA-O 3.26Å; L104-V122 WeakPolarHBondContact CA-O 3.42Å; C105-V122 HydrophobicContact CB-CG2 4.45Å; C105-V122 PolarHBondContact N-O 3.01Å; C105-V122 PolarHBondContact O-N 3.2Å; I107-V122 HydrophobicContact CD1-CG2 3.61Å; I107-V122 HydrophobicContact CG1-CG2 4.23Å; L120-V122 HydrophobicContact CB-CG1 4.06Å; V122-I126 HydrophobicContact CB-CB 4.47Å; V122-I126 HydrophobicContact CB-CD1 3.86Å; V122-I126 HydrophobicContact CB-CG2 4.17Å; V122-I126 HydrophobicContact CG1-CD1 3.76Å; V122-I126 HydrophobicContact CG2-CG2 4.02Å; V122-L131 HydrophobicContact CG1-CD1 3.99Å; V122-L131 HydrophobicContact CG2-CD1 4.41Å; V122-L134 HydrophobicContact CG1-CD2 3.75Å
123R93.1Very high92Very high116 Ų11665.9 Ų65.944%0.43832%0.316SS..EExtended strand (participates in β ladder)trans-70.1151.8170.5-69.516856.4126.8-2.8110.6D103 L104 D125 I126D103-R123 CarbonylContact O-C 3.57Å; D103-R123 WeakPolarHBondContact O-CA 3.42Å; L104-R123 HydrophobicContact CD2-CG 3.9Å; R123-D125 WeakPolarHBondContact CB-OD1 3.38Å; R123-D125 IonicContact CZ-OD1 2.77Å; R123-D125 IonicContact CZ-OD2 2.71Å; R123-D125 IonicContact NE-OD1 3.49Å; R123-D125 PolarHBondContact NE-OD1 3.41Å; R123-D125 IonicContact NE-OD2 2.9Å; R123-D125 IonicContact NH2-OD1 3.33Å; R123-D125 IonicContact NH2-OD2 3.45Å; R123-D125 PolarHBondContact NH2-OD2 3.17Å; R123-D125 PolarHBondContact O-N 3.31Å; R123-I126 WeakPolarHBondContact O-CB 3.3Å; R123-I126 VanDerWaalsContact O-CG2 3.27Å; R123-I126 WeakPolarHBondContact O-CG2 3.37Å; R123-I126 PolarHBondContact O-N 3.38Å
124S90.1Very high93Very high1 Ų162.1 Ų62.11%0.00730%0.299CS..THydrogen-bonded Turntrans-61.2-28.2176.172.10000112.1L100 P101 D103L100-S124 PolarHBondContact O-OG 2.82Å; P101-S124 PolarHBondContact O-OG 3.39Å; D103-S124 PolarHBondContact O-N 3.22Å
125D88.6Confident94Very high41 Ų4160.2 Ų60.222%0.21928%0.284CS..THydrogen-bonded Turntrans-90.811179.370.4-7.2000116.2P101 R123 K127 L249P101-D125 HydrophobicContact CB-CB 4Å; P101-D125 VanDerWaalsContact O-CG 3.23Å; P101-D125 PolarHBondContact O-N 3.09Å; R123-D125 WeakPolarHBondContact CB-OD1 3.38Å; R123-D125 IonicContact CZ-OD1 2.77Å; R123-D125 IonicContact CZ-OD2 2.71Å; R123-D125 IonicContact NE-OD1 3.49Å; R123-D125 PolarHBondContact NE-OD1 3.41Å; R123-D125 IonicContact NE-OD2 2.9Å; R123-D125 IonicContact NH2-OD1 3.33Å; R123-D125 IonicContact NH2-OD2 3.45Å; R123-D125 PolarHBondContact NH2-OD2 3.17Å; R123-D125 PolarHBondContact O-N 3.31Å; D125-K127 PolarHBondContact O-N 3.33Å; D125-L249 VanDerWaalsContact CA-CD1 3.41Å; D125-L249 HydrophobicContact CB-CD1 3.75Å
126I92.5Very high94.6Very high27 Ų2752 Ų5214%0.13825%0.246CC..  trans-59.4131.8176.5-165168000111V122 R123 L131V122-I126 HydrophobicContact CB-CB 4.47Å; V122-I126 HydrophobicContact CB-CD1 3.86Å; V122-I126 HydrophobicContact CB-CG2 4.17Å; V122-I126 HydrophobicContact CG1-CD1 3.76Å; V122-I126 HydrophobicContact CG2-CG2 4.02Å; R123-I126 WeakPolarHBondContact O-CB 3.3Å; R123-I126 VanDerWaalsContact O-CG2 3.27Å; R123-I126 WeakPolarHBondContact O-CG2 3.37Å; R123-I126 PolarHBondContact O-N 3.38Å; I126-L131 HydrophobicContact CD1-CB 3.94Å; I126-L131 HydrophobicContact CD1-CD1 4.29Å; I126-L131 HydrophobicContact CG1-CB 4.22Å; I126-L131 HydrophobicContact CG2-CB 4.33Å
127K92.7Very high94.8Very high136 Ų13651.9 Ų51.959%0.59125%0.251SS*.BIsolated β-bridgetrans-70.4142.9170.1-66.6-171.4176.1-173.10110.4D125 D129 S130 L131 V166D125-K127 PolarHBondContact O-N 3.33Å; K127-D129 VanDerWaalsContact C-N 3.29Å; K127-D129 PolarHBondContact O-N 2.87Å; K127-S130 WeakPolarHBondContact O-CB 3.35Å; K127-S130 PolarHBondContact O-N 3.46Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-V166 HydrophobicContact CG-CG1 4.17Å
128C94.5Very high94.8Very high1 Ų154.5 Ų54.51%0.00726%0.256CS..Hα-helixtrans-53.5-45.4179.9-178.70000112.2S130 L131 R132 F161 S162 D165 V168C128-S130 VanDerWaalsContact C-N 3.31Å; C128-S130 PolarHBondContact O-N 3.16Å; C128-L131 WeakPolarHBondContact O-CB 3.43Å; C128-L131 PolarHBondContact O-N 2.84Å; C128-L131 VanDerWaalsContact O-N 3.15Å; C128-R132 WeakPolarHBondContact O-CB 3.44Å; C128-R132 PolarHBondContact O-N 3.3Å; C128-F161 WeakPolarHBondContact SG-CB 3.15Å; C128-S162 WeakPolarHBondContact CB-O 3.28Å; C128-S162 PolarHBondContact SG-O 3.24Å; C128-D165 HydrophobicContact CB-CB 3.98Å; C128-D165 WeakPolarHBondContact CB-O 3.5Å; C128-D165 PolarHBondContact N-O 2.8Å; C128-V168 HydrophobicContact CB-CG2 4.06Å
129D95.1Very high94.8Very high35 Ų3553.7 Ų53.719%0.18725%0.25CS..Hα-helixtrans-57.3-40.4176.7173.663.4000113.6K127 R132 R133 S163K127-D129 VanDerWaalsContact C-N 3.29Å; K127-D129 PolarHBondContact O-N 2.87Å; D129-R132 PolarHBondContact O-N 2.87Å; D129-R132 IonicContact OD1-CZ 3.56Å; D129-R132 IonicContact OD1-NE 2.73Å; D129-R132 IonicContact OD1-NH2 3.62Å; D129-R132 PolarHBondContact OD1-NH2 3.22Å; D129-R133 WeakPolarHBondContact O-CG 3.14Å; D129-R133 PolarHBondContact O-N 2.81Å; D129-R133 VanDerWaalsContact O-N 3.11Å; D129-R133 IonicContact OD1-CZ 2.93Å; D129-R133 IonicContact OD1-NE 3.25Å; D129-R133 IonicContact OD1-NH2 2.76Å; D129-R133 PolarHBondContact OD1-NH2 3.38Å; D129-R133 VanDerWaalsContact OD1-NH2 3.15Å; D129-R133 IonicContact OD2-CZ 2.71Å; D129-R133 IonicContact OD2-NE 2.93Å; D129-R133 IonicContact OD2-NH1 2.86Å; D129-R133 PolarHBondContact OD2-NH1 2.98Å; D129-R133 VanDerWaalsContact OD2-NH1 3.08Å; D129-R133 IonicContact OD2-NH2 2.79Å; D129-R133 PolarHBondContact OD2-NH2 2.89Å; D129-S163 PolarHBondContact N-O 3.08Å
130S95.2Very high94.6Very high54 Ų5452.2 Ų52.238%0.37825%0.251SS..Hα-helixtrans-70.6-40.4176.3-61.90000112K127 C128 R132 R133 L134K127-S130 WeakPolarHBondContact O-CB 3.35Å; K127-S130 PolarHBondContact O-N 3.46Å; C128-S130 VanDerWaalsContact C-N 3.31Å; C128-S130 PolarHBondContact O-N 3.16Å; S130-R132 VanDerWaalsContact C-N 3.32Å; S130-R132 PolarHBondContact O-N 2.71Å; S130-R133 PolarHBondContact O-N 2.56Å; S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 PolarHBondContact O-N 3.47Å; S130-L134 VanDerWaalsContact O-N 3.09Å
131L96.1Very high94.4Very high0 Ų052.8 Ų52.80%025%0.254CS..Hα-helixtrans-61.7-41.7174.3179.360.7000111.2I107 L120 V122 I126 K127 C128 L134 A135 L149 V168 L178I107-L131 HydrophobicContact CD1-CD2 4.34Å; L120-L131 HydrophobicContact CD1-CD1 3.87Å; V122-L131 HydrophobicContact CG1-CD1 3.99Å; V122-L131 HydrophobicContact CG2-CD1 4.41Å; I126-L131 HydrophobicContact CD1-CB 3.94Å; I126-L131 HydrophobicContact CD1-CD1 4.29Å; I126-L131 HydrophobicContact CG1-CB 4.22Å; I126-L131 HydrophobicContact CG2-CB 4.33Å; K127-L131 PolarHBondContact O-N 2.91Å; C128-L131 WeakPolarHBondContact O-CB 3.43Å; C128-L131 PolarHBondContact O-N 2.84Å; C128-L131 VanDerWaalsContact O-N 3.15Å; L131-L134 PolarHBondContact O-N 3.27Å; L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 3.29Å; L131-L149 HydrophobicContact CB-CD1 4.08Å; L131-L149 HydrophobicContact CD2-CD1 3.92Å; L131-L149 HydrophobicContact CG-CD1 3.76Å; L131-V168 HydrophobicContact CD2-CB 4.03Å; L131-V168 HydrophobicContact CD2-CG1 3.97Å; L131-V168 HydrophobicContact CD2-CG2 4.4Å; L131-L178 HydrophobicContact CD2-CD2 4.11Å
132R96.6Very high94.1Very high27 Ų2749 Ų4910%0.10225%0.253CS..Hα-helixtrans-59.9-51.2177.4174-179.649.8-154.90.1111.2C128 D129 S130 L134 A135 A136 V147 L149 S163C128-R132 WeakPolarHBondContact O-CB 3.44Å; C128-R132 PolarHBondContact O-N 3.3Å; D129-R132 PolarHBondContact O-N 2.87Å; D129-R132 IonicContact OD1-CZ 3.56Å; D129-R132 IonicContact OD1-NE 2.73Å; D129-R132 IonicContact OD1-NH2 3.62Å; D129-R132 PolarHBondContact OD1-NH2 3.22Å; S130-R132 VanDerWaalsContact C-N 3.32Å; S130-R132 PolarHBondContact O-N 2.71Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.06Å; R132-A135 PolarHBondContact O-N 2.83Å; R132-A136 VanDerWaalsContact O-CB 3.31Å; R132-A136 WeakPolarHBondContact O-CB 3.43Å; R132-A136 PolarHBondContact O-N 2.81Å; R132-V147 WeakPolarHBondContact CD-O 2.94Å; R132-V147 HydrophobicContact CG-CB 4.37Å; R132-V147 HydrophobicContact CG-CG1 4.37Å; R132-L149 HydrophobicContact CB-CD1 3.9Å; R132-L149 HydrophobicContact CB-CG 3.9Å; R132-L149 HydrophobicContact CG-CG 4.37Å; R132-S163 PolarHBondContact NH1-OG 3.32Å; R132-S163 PolarHBondContact NH2-OG 2.88Å
133R96.5Very high93.8Very high130 Ų13053.8 Ų53.849%0.49128%0.278SS..Hα-helixtrans-59.8-43.7178.5-68.1-176.8-166.4131.18111.8D129 S130 A136 Q137D129-R133 WeakPolarHBondContact O-CG 3.14Å; D129-R133 PolarHBondContact O-N 2.81Å; D129-R133 VanDerWaalsContact O-N 3.11Å; D129-R133 IonicContact OD1-CZ 2.93Å; D129-R133 IonicContact OD1-NE 3.25Å; D129-R133 IonicContact OD1-NH2 2.76Å; D129-R133 PolarHBondContact OD1-NH2 3.38Å; D129-R133 VanDerWaalsContact OD1-NH2 3.15Å; D129-R133 IonicContact OD2-CZ 2.71Å; D129-R133 IonicContact OD2-NE 2.93Å; D129-R133 IonicContact OD2-NH1 2.86Å; D129-R133 PolarHBondContact OD2-NH1 2.98Å; D129-R133 VanDerWaalsContact OD2-NH1 3.08Å; D129-R133 IonicContact OD2-NH2 2.79Å; D129-R133 PolarHBondContact OD2-NH2 2.89Å; S130-R133 PolarHBondContact O-N 2.56Å; R133-A136 PolarHBondContact O-N 3.15Å; R133-Q137 WeakPolarHBondContact O-CB 3.5Å; R133-Q137 PolarHBondContact O-N 3.45Å
134L96.2Very high93.5Very high53 Ų5348.5 Ų48.528%0.27726%0.26SS..Hα-helixtrans-62.7-44.7177.5-178.664.2000111.8L120 V122 S130 L131 R132 K138L120-L134 HydrophobicContact CD1-CD2 4.2Å; L120-L134 HydrophobicContact CD1-CG 4.17Å; L120-L134 HydrophobicContact CD2-CD2 4.32Å; L120-L134 HydrophobicContact CD2-CG 4.11Å; V122-L134 HydrophobicContact CG1-CD2 3.75Å; S130-L134 WeakPolarHBondContact O-CB 3.5Å; S130-L134 PolarHBondContact O-N 3.47Å; S130-L134 VanDerWaalsContact O-N 3.09Å; L131-L134 PolarHBondContact O-N 3.27Å; R132-L134 VanDerWaalsContact C-N 3.33Å; R132-L134 PolarHBondContact O-N 3.06Å; L134-K138 HydrophobicContact CD1-CG 4.48Å; L134-K138 WeakPolarHBondContact O-CB 3.29Å; L134-K138 VanDerWaalsContact O-CG 3.29Å; L134-K138 WeakPolarHBondContact O-CG 3.29Å; L134-K138 PolarHBondContact O-N 3.47Å; L134-K138 VanDerWaalsContact O-N 3.11Å
135A96.4Very high93.6Very high0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-63.2-48.6176.900000111.7V109 L120 L131 R132 Q137 K138 L139 L149 A180V109-A135 HydrophobicContact CB-CB 4.27Å; V109-A135 HydrophobicContact CG1-CB 3.94Å; V109-A135 HydrophobicContact CG2-CB 4.2Å; L120-A135 HydrophobicContact CD1-CB 3.92Å; L131-A135 VanDerWaalsContact O-CB 3.31Å; L131-A135 WeakPolarHBondContact O-CB 3.31Å; L131-A135 PolarHBondContact O-N 3.29Å; R132-A135 PolarHBondContact O-N 2.83Å; A135-Q137 PolarHBondContact O-N 2.79Å; A135-K138 PolarHBondContact O-N 3.1Å; A135-L139 HydrophobicContact CB-CD1 4.45Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.29Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.21Å; A135-L149 HydrophobicContact CB-CD2 4.29Å; A135-A180 HydrophobicContact CB-CB 4.37Å
136A95.7Very high93.7Very high0 Ų056 Ų560%031%0.306CS..Hα-helixtrans-58.1-48179.100000111.6R132 R133 K138 L139 G140 L141 V147R132-A136 VanDerWaalsContact O-CB 3.31Å; R132-A136 WeakPolarHBondContact O-CB 3.43Å; R132-A136 PolarHBondContact O-N 2.81Å; R133-A136 PolarHBondContact O-N 3.15Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 2.83Å; A136-L139 PolarHBondContact O-N 2.85Å; A136-G140 PolarHBondContact O-N 2.8Å; A136-L141 HydrophobicContact CB-CB 4.04Å; A136-L141 PolarHBondContact O-N 2.9Å; A136-V147 HydrophobicContact CB-CG2 4.28Å
137Q94.8Very high93.8Very high140 Ų14054.8 Ų54.865%0.65430%0.3SS*.Hα-helixtrans-59.2-44.5177.3-172.8-174.815.600111.8R133 A135 G140R133-Q137 WeakPolarHBondContact O-CB 3.5Å; R133-Q137 PolarHBondContact O-N 3.45Å; A135-Q137 PolarHBondContact O-N 2.79Å; Q137-G140 PolarHBondContact O-N 2.78Å
138K95.2Very high94Very high135 Ų13550.6 Ų50.659%0.58728%0.282SS*.Hα-helixtrans-72.4-27.8-179.2-69.7-69-175.4-1780113.5S118 L120 L134 A135 A136S118-K138 WeakPolarHBondContact OG-CB 3.39Å; L120-K138 HydrophobicContact CD2-CB 4.19Å; L120-K138 HydrophobicContact CD2-CG 3.81Å; L134-K138 HydrophobicContact CD1-CG 4.48Å; L134-K138 WeakPolarHBondContact O-CB 3.29Å; L134-K138 VanDerWaalsContact O-CG 3.29Å; L134-K138 WeakPolarHBondContact O-CG 3.29Å; L134-K138 PolarHBondContact O-N 3.47Å; L134-K138 VanDerWaalsContact O-N 3.11Å; A135-K138 PolarHBondContact O-N 3.1Å; A136-K138 VanDerWaalsContact C-N 3.34Å; A136-K138 PolarHBondContact O-N 2.83Å
139L95.8Very high94.2Very high2 Ų250.6 Ų50.61%0.0128%0.282CS..Hα-helixtrans-87.7-15178.4-68.5164.4000112.5V109 C111 R116 A135 A136 L141 A180V109-L139 HydrophobicContact CB-CD1 4.22Å; V109-L139 HydrophobicContact CG1-CD1 3.93Å; C111-L139 HydrophobicContact CB-CB 4.24Å; C111-L139 HydrophobicContact CB-CD1 4.06Å; C111-L139 HydrophobicContact CB-CD2 3.98Å; C111-L139 HydrophobicContact CB-CG 4.31Å; R116-L139 HydrophobicContact CB-CD2 3.85Å; R116-L139 WeakPolarHBondContact CD-O 3.37Å; R116-L139 PolarHBondContact NH1-O 2.92Å; R116-L139 VanDerWaalsContact NH1-O 3.12Å; A135-L139 HydrophobicContact CB-CD1 4.45Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 WeakPolarHBondContact O-CD1 3.29Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.21Å; A136-L139 PolarHBondContact O-N 2.85Å; L139-L141 HydrophobicContact CB-CD1 4.24Å; L139-L141 HydrophobicContact CB-CG 4.22Å; L139-A180 HydrophobicContact CD1-CB 3.73Å
140G92.7Very high94.3Very high52 Ų5248.9 Ų48.954%0.53627%0.273SS..THydrogen-bonded Turntrans8724.2-178.100000113.7A136 Q137 G142A136-G140 PolarHBondContact O-N 2.8Å; Q137-G140 PolarHBondContact O-N 2.78Å; G140-G142 VanDerWaalsContact C-N 3.27Å; G140-G142 PolarHBondContact O-N 2.98Å
141L91.9Very high94.4Very high20 Ų2046.7 Ų46.711%0.10526%0.257CS..  trans-92.731.5178.5-57.9172.1000112.1C111 A136 L139 V147 A180 F182C111-L141 HydrophobicContact CB-CD1 4.5Å; A136-L141 HydrophobicContact CB-CB 4.04Å; A136-L141 PolarHBondContact O-N 2.9Å; L139-L141 HydrophobicContact CB-CD1 4.24Å; L139-L141 HydrophobicContact CB-CG 4.22Å; L141-V147 HydrophobicContact CB-CG2 3.92Å; L141-V147 HydrophobicContact CD1-CG1 4.17Å; L141-V147 HydrophobicContact CD1-CG2 4.32Å; L141-A180 HydrophobicContact CD1-CB 4.1Å; L141-F182 HydrophobicContact CD2-CE2 4.02Å
142G90.7Very high94.5Very high52 Ų5246.8 Ų46.854%0.53626%0.257SS..THydrogen-bonded Turntrans69.4-142.9-178.800000114.1G140 G144G140-G142 VanDerWaalsContact C-N 3.27Å; G140-G142 PolarHBondContact O-N 2.98Å; G142-G144 VanDerWaalsContact C-N 3.26Å; G142-G144 PolarHBondContact O-N 2.96Å
143N88.8Confident94.5Very high108 Ų10847.7 Ų47.758%0.57826%0.262SS*.THydrogen-bonded Turntrans-80.4-1.9-178.664.8-7.4000113.6E145N143-E145 PolarHBondContact ND2-OE2 3.13Å; N143-E145 WeakPolarHBondContact OD1-CB 3.25Å; N143-E145 PolarHBondContact OD1-N 2.9Å
144G88.4Confident94.5Very high5 Ų542 Ų425%0.05224%0.242CC..SBendtrans87.75.2-17600000115.1G142 G146 V147G142-G144 VanDerWaalsContact C-N 3.26Å; G142-G144 PolarHBondContact O-N 2.96Å; G144-G146 PolarHBondContact O-N 2.78Å; G144-V147 PolarHBondContact O-N 2.78Å
145E90.5Very high94.4Very high152 Ų15241.7 Ų41.771%0.7124%0.241SC*.THydrogen-bonded Turntrans-66.1130.1172.3-169.2174.5178.200110.6N143 V147N143-E145 PolarHBondContact ND2-OE2 3.13Å; N143-E145 WeakPolarHBondContact OD1-CB 3.25Å; N143-E145 PolarHBondContact OD1-N 2.9Å; E145-V147 PolarHBondContact O-N 2.77Å; E145-V147 VanDerWaalsContact O-N 3.16Å
146G91.9Very high94.4Very high48 Ų4843 Ų4350%0.49525%0.254SS..THydrogen-bonded Turntrans73-5.7-175.700000115.6G144 F182G144-G146 PolarHBondContact O-N 2.78Å; G146-F182 WeakPolarHBondContact O-CD1 3.38Å
147V95.3Very high94.5Very high1 Ų147.3 Ų47.31%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-78.5141.1174.3-179.30000109.2R132 A136 L141 G144 E145 A180 F182R132-V147 WeakPolarHBondContact CD-O 2.94Å; R132-V147 HydrophobicContact CG-CB 4.37Å; R132-V147 HydrophobicContact CG-CG1 4.37Å; A136-V147 HydrophobicContact CB-CG2 4.28Å; L141-V147 HydrophobicContact CB-CG2 3.92Å; L141-V147 HydrophobicContact CD1-CG1 4.17Å; L141-V147 HydrophobicContact CD1-CG2 4.32Å; G144-V147 PolarHBondContact O-N 2.78Å; E145-V147 PolarHBondContact O-N 2.77Å; E145-V147 VanDerWaalsContact O-N 3.16Å; V147-A180 HydrophobicContact CG1-CB 3.97Å; V147-F182 HydrophobicContact CG2-CD1 4.21Å; V147-F182 HydrophobicContact CG2-CE1 3.76Å; V147-F182 HydrophobicContact CG2-CZ 4.15Å
148E96.3Very high94.6Very high47 Ų4743.8 Ų43.822%0.2226%0.257CS..EExtended strand (participates in β ladder)trans-115.6144.6174.1-62.4-63.9175.500109.7V150 T160 A180 C181 K183 I186E148-V150 HydrophobicContact CB-CG2 4.2Å; E148-T160 HydrophobicContact CB-CG2 4.08Å; E148-T160 HydrophobicContact CG-CG2 4.39Å; E148-A180 WeakPolarHBondContact O-CA 3.33Å; E148-C181 PolarHBondContact N-O 3.41Å; E148-C181 PolarHBondContact O-N 3.36Å; E148-K183 HydrophobicContact CG-CB 4.37Å; E148-I186 HydrophobicContact CB-CD1 4.25Å; E148-I186 HydrophobicContact CG-CD1 4.28Å
149L97.6Very high94.7Very high1 Ų139.6 Ų39.61%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-95.1122.7167.8-71.9-175.9000108.9V109 L131 R132 A135 F161 L178 F179 A180V109-L149 HydrophobicContact CG1-CD2 4.28Å; L131-L149 HydrophobicContact CB-CD1 4.08Å; L131-L149 HydrophobicContact CD2-CD1 3.92Å; L131-L149 HydrophobicContact CG-CD1 3.76Å; R132-L149 HydrophobicContact CB-CD1 3.9Å; R132-L149 HydrophobicContact CB-CG 3.9Å; R132-L149 HydrophobicContact CG-CG 4.37Å; A135-L149 HydrophobicContact CB-CD2 4.29Å; L149-F161 HydrophobicContact CB-CB 4.49Å; L149-F161 HydrophobicContact CB-CD2 4.33Å; L149-F161 PolarHBondContact O-N 3.02Å; L149-L178 HydrophobicContact CB-CD1 4.25Å; L149-L178 HydrophobicContact CD2-CG 4.49Å; L149-F179 WeakPolarHBondContact CA-O 3.28Å; L149-A180 HydrophobicContact CD2-CB 3.89Å
150V97.9Very high94.8Very high0 Ų042.5 Ų42.50%026%0.26CS..EExtended strand (participates in β ladder)trans-127.8122.7-174.5-174.40000109.6E148 L152 K158 V159 T160 F179 I186 L189E148-V150 HydrophobicContact CB-CG2 4.2Å; V150-L152 PolarHBondContact O-N 3.22Å; V150-K158 HydrophobicContact CG1-CB 4.05Å; V150-V159 CarbonylContact C-O 3.59Å; V150-V159 WeakPolarHBondContact CA-O 3.35Å; V150-T160 HydrophobicContact CG2-CG2 4.3Å; V150-F179 PolarHBondContact N-O 3.33Å; V150-F179 PolarHBondContact O-N 2.96Å; V150-I186 HydrophobicContact CG1-CG2 4.44Å; V150-I186 HydrophobicContact CG2-CD1 4.02Å; V150-I186 HydrophobicContact CG2-CG1 4.03Å; V150-I186 HydrophobicContact CG2-CG2 4.48Å; V150-L189 HydrophobicContact CB-CD1 4.09Å; V150-L189 HydrophobicContact CG1-CD1 3.97Å
151E97.7Very high94.9Very high8 Ų840.7 Ų40.74%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-77.1119161.9178.4-179.2-167.600109K153 K158 V159 F161 M172 S173 R177E151-K153 HydrophobicContact CG-CG 4.18Å; E151-K158 WeakPolarHBondContact O-CA 3.37Å; E151-V159 HydrophobicContact CB-CB 4.42Å; E151-V159 PolarHBondContact N-O 3.11Å; E151-V159 PolarHBondContact O-N 3.39Å; E151-F161 HydrophobicContact CB-CE2 3.79Å; E151-F161 HydrophobicContact CB-CZ 4.14Å; E151-M172 HydrophobicContact CG-CE 4.16Å; E151-M172 HydrophobicContact CG-CG 4.43Å; E151-S173 VanDerWaalsContact OE1-CB 3.27Å; E151-S173 WeakPolarHBondContact OE1-CB 3.48Å; E151-S173 PolarHBondContact OE1-N 3.4Å; E151-S173 PolarHBondContact OE1-OG 3.25Å; E151-R177 WeakPolarHBondContact CA-O 3.29Å
152L97.5Very high95Very high1 Ų142.2 Ų42.21%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-94.6113.916317964.8000108.2V150 K158 G176 R177 F179 L189 V190 I191 Q195V150-L152 PolarHBondContact O-N 3.22Å; L152-K158 HydrophobicContact CD1-CD 4.48Å; L152-K158 HydrophobicContact CD1-CG 3.63Å; L152-G176 WeakPolarHBondContact O-CA 3.36Å; L152-R177 PolarHBondContact N-O 3.31Å; L152-R177 PolarHBondContact O-N 3.42Å; L152-F179 HydrophobicContact CB-CD2 3.81Å; L152-F179 HydrophobicContact CB-CE2 3.67Å; L152-F179 HydrophobicContact CD2-CE2 3.91Å; L152-F179 HydrophobicContact CD2-CZ 4.22Å; L152-F179 HydrophobicContact CG-CE2 4.42Å; L152-L189 HydrophobicContact CD2-CB 4.27Å; L152-V190 VanDerWaalsContact CD2-O 3.24Å; L152-V190 WeakPolarHBondContact CD2-O 3.43Å; L152-I191 HydrophobicContact CD2-CG1 4.24Å; L152-I191 HydrophobicContact CG-CG1 4.46Å; L152-Q195 PolarHBondContact O-NE2 3.34Å
153K97.4Very high95.1Very high47 Ų4742.2 Ų42.220%0.20424%0.242CC..  trans-77.3160176.6-61.1-173-167.2163.40111E151 N155 G156 E157E151-K153 HydrophobicContact CG-CG 4.18Å; K153-N155 VanDerWaalsContact CB-OD1 3.27Å; K153-N155 WeakPolarHBondContact CB-OD1 3.46Å; K153-N155 PolarHBondContact O-N 3.25Å; K153-G156 PolarHBondContact O-N 3.46Å; K153-E157 HydrophobicContact CB-CB 4.32Å; K153-E157 HydrophobicContact CD-CB 4.18Å; K153-E157 WeakPolarHBondContact CD-OE2 3.38Å; K153-E157 HydrophobicContact CG-CB 4.49Å; K153-E157 PolarHBondContact N-O 3.45Å; K153-E157 IonicContact NZ-OE1 3.64Å; K153-E157 PolarHBondContact NZ-OE1 2.88Å; K153-E157 IonicContact NZ-OE2 3.75Å; K153-E157 PolarHBondContact NZ-OE2 2.86Å
154S96.2Very high95.2Very high9 Ų942.7 Ų42.76%0.06324%0.244CC..THydrogen-bonded Turntrans-62.9-22.5179.156.30000114.2G156 Q195 D431S154-G156 VanDerWaalsContact C-N 3.3Å; S154-Q195 VanDerWaalsContact CB-O 3.32Å; S154-Q195 WeakPolarHBondContact CB-O 3.25Å; S154-D431 VanDerWaalsContact CB-OD1 3.29Å; S154-D431 WeakPolarHBondContact CB-OD1 3.41Å; S154-D431 PolarHBondContact OG-OD1 2.83Å
155N95.1Very high95.4Very high48 Ų4844.9 Ų44.926%0.25726%0.255SS..THydrogen-bonded Turntrans-84-1.4174.268.30.8000113.5K153 E157 D432 R434K153-N155 VanDerWaalsContact CB-OD1 3.27Å; K153-N155 WeakPolarHBondContact CB-OD1 3.46Å; K153-N155 PolarHBondContact O-N 3.25Å; N155-E157 WeakPolarHBondContact OD1-CB 3.19Å; N155-E157 PolarHBondContact OD1-N 2.83Å; N155-D432 HydrophobicContact CB-CB 4.47Å; N155-D432 WeakPolarHBondContact CB-OD1 3.4Å; N155-R434 PolarHBondContact O-NH1 3.15Å; N155-R434 VanDerWaalsContact O-NH1 3.13Å
156G95.6Very high95.4Very high27 Ų2738.7 Ų38.728%0.27823%0.228SC..SBendtrans88.3-1.5-17900000115.6K153 S154K153-G156 PolarHBondContact O-N 3.46Å; S154-G156 VanDerWaalsContact C-N 3.3Å
157E96.9Very high95.3Very high91 Ų9136.4 Ų36.443%0.42520%0.204SC..  trans-65.7137.9172.7-171.5-167.1155.900110.3K153 N155 V159K153-E157 HydrophobicContact CB-CB 4.32Å; K153-E157 HydrophobicContact CD-CB 4.18Å; K153-E157 WeakPolarHBondContact CD-OE2 3.38Å; K153-E157 HydrophobicContact CG-CB 4.49Å; K153-E157 PolarHBondContact N-O 3.45Å; K153-E157 IonicContact NZ-OE1 3.64Å; K153-E157 PolarHBondContact NZ-OE1 2.88Å; K153-E157 IonicContact NZ-OE2 3.75Å; K153-E157 PolarHBondContact NZ-OE2 2.86Å; N155-E157 WeakPolarHBondContact OD1-CB 3.19Å; N155-E157 PolarHBondContact OD1-N 2.83Å; E157-V159 HydrophobicContact CG-CG2 4.45Å
158K97.3Very high95.3Very high66 Ų6636.4 Ų36.429%0.28720%0.204SC..EExtended strand (participates in β ladder)trans-113.6124-178.9-63.9169-170.9178.70108.9V150 E151 L152 I186 D187V150-K158 HydrophobicContact CG1-CB 4.05Å; E151-K158 WeakPolarHBondContact O-CA 3.37Å; L152-K158 HydrophobicContact CD1-CD 4.48Å; L152-K158 HydrophobicContact CD1-CG 3.63Å; K158-I186 HydrophobicContact CB-CG2 4.5Å; K158-I186 HydrophobicContact CD-CG2 4.06Å; K158-I186 VanDerWaalsContact CD-O 3.28Å; K158-I186 WeakPolarHBondContact CD-O 3.43Å; K158-I186 WeakPolarHBondContact CE-O 3.23Å; K158-I186 PolarHBondContact NZ-O 3.5Å; K158-D187 VanDerWaalsContact NZ-CA 3.29Å; K158-D187 PolarHBondContact NZ-O 3.26Å
159V97.3Very high95.1Very high46 Ų4634.5 Ų34.528%0.27920%0.196SC..EExtended strand (participates in β ladder)trans-120.3111.6179.3-178.10000108.4V150 E151 E157V150-V159 CarbonylContact C-O 3.59Å; V150-V159 WeakPolarHBondContact CA-O 3.35Å; E151-V159 HydrophobicContact CB-CB 4.42Å; E151-V159 PolarHBondContact N-O 3.11Å; E151-V159 PolarHBondContact O-N 3.39Å; E157-V159 HydrophobicContact CG-CG2 4.45Å
160T97.3Very high94.8Very high63 Ų6334.8 Ų34.839%0.38720%0.197SC..EExtended strand (participates in β ladder)trans-84.9129.5176.5-53.70000109.9E148 V150E148-T160 HydrophobicContact CB-CG2 4.08Å; E148-T160 HydrophobicContact CG-CG2 4.39Å; V150-T160 HydrophobicContact CG2-CG2 4.3Å
161F96.5Very high94.6Very high14 Ų1437 Ų376%0.06121%0.213CC..PPolyproline II helixtrans-83.1135.6175-65.8-80.9000110.9C128 L149 E151 D165 V168 M172 L178C128-F161 WeakPolarHBondContact SG-CB 3.15Å; L149-F161 HydrophobicContact CB-CB 4.49Å; L149-F161 HydrophobicContact CB-CD2 4.33Å; L149-F161 PolarHBondContact O-N 3.02Å; E151-F161 HydrophobicContact CB-CE2 3.79Å; E151-F161 HydrophobicContact CB-CZ 4.14Å; F161-D165 VanDerWaalsContact CA-OD2 3.27Å; F161-D165 WeakPolarHBondContact CA-OD2 3.36Å; F161-D165 HydrophobicContact CB-CB 4.42Å; F161-D165 HydrophobicContact CD1-CB 4.35Å; F161-V168 HydrophobicContact CD1-CG1 4.39Å; F161-V168 HydrophobicContact CD1-CG2 3.97Å; F161-V168 HydrophobicContact CD2-CG1 4.14Å; F161-V168 HydrophobicContact CE1-CB 4.5Å; F161-V168 HydrophobicContact CE1-CG1 4.11Å; F161-V168 HydrophobicContact CE1-CG2 4.28Å; F161-V168 HydrophobicContact CE2-CG1 3.84Å; F161-V168 HydrophobicContact CG-CG1 4.41Å; F161-V168 HydrophobicContact CG-CG2 4.2Å; F161-V168 HydrophobicContact CZ-CG1 3.84Å; F161-M172 HydrophobicContact CZ-CG 4.15Å; F161-L178 HydrophobicContact CD2-CD1 4.03Å; F161-L178 HydrophobicContact CE2-CD1 3.73Å
162S94.2Very high94.4Very high53 Ų5337.7 Ų37.737%0.37122%0.216SC..PPolyproline II helixtrans-73.7158.1172.591.40000111.2C128 D164 D165C128-S162 WeakPolarHBondContact CB-O 3.28Å; C128-S162 PolarHBondContact SG-O 3.24Å; S162-D164 PolarHBondContact O-N 3.24Å; S162-D164 PolarHBondContact OG-N 3.28Å; S162-D165 PolarHBondContact N-OD2 3.21Å; S162-D165 WeakPolarHBondContact O-CB 3.35Å; S162-D165 PolarHBondContact O-N 2.85Å; S162-D165 VanDerWaalsContact O-N 3.1Å; S162-D165 PolarHBondContact OG-N 2.77Å; S162-D165 PolarHBondContact OG-OD1 3.42Å
163S91.8Very high94.3Very high51 Ų5139 Ų3936%0.35723%0.225SC..THydrogen-bonded Turntrans-58.9-30.1176.8-600000113.2D129 R132D129-S163 PolarHBondContact N-O 3.08Å; R132-S163 PolarHBondContact NH1-OG 3.32Å; R132-S163 PolarHBondContact NH2-OG 2.88Å
164D90.3Very high94.2Very high118 Ų11837.6 Ų37.663%0.63122%0.22SC*.THydrogen-bonded Turntrans-88.3-4.3-178.4-65.3-37.9000113.1S162S162-D164 PolarHBondContact O-N 3.24Å; S162-D164 PolarHBondContact OG-N 3.28Å
165D92.7Very high94.2Very high52 Ų5238.1 Ų38.128%0.27822%0.222SC..  trans-66.7149.9177.8-69-8000111.1C128 F161 S162C128-D165 HydrophobicContact CB-CB 3.98Å; C128-D165 WeakPolarHBondContact CB-O 3.5Å; C128-D165 PolarHBondContact N-O 2.8Å; F161-D165 VanDerWaalsContact CA-OD2 3.27Å; F161-D165 WeakPolarHBondContact CA-OD2 3.36Å; F161-D165 HydrophobicContact CB-CB 4.42Å; F161-D165 HydrophobicContact CD1-CB 4.35Å; S162-D165 PolarHBondContact N-OD2 3.21Å; S162-D165 WeakPolarHBondContact O-CB 3.35Å; S162-D165 PolarHBondContact O-N 2.85Å; S162-D165 VanDerWaalsContact O-N 3.1Å; S162-D165 PolarHBondContact OG-N 2.77Å; S162-D165 PolarHBondContact OG-OD1 3.42Å
166V91.3Very high94.2Very high22 Ų2236 Ų3613%0.13321%0.212CC..BIsolated β-bridgetrans-140.7151.9-175.5-71.30000109.9K127 V168 R242 L249K127-V166 HydrophobicContact CG-CG1 4.17Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V166-R242 HydrophobicContact CG2-CB 3.74Å; V166-L249 HydrophobicContact CB-CD2 3.54Å; V166-L249 HydrophobicContact CG2-CD2 3.25Å
167G89.9Confident94.2Very high0 Ų036.4 Ų36.40%021%0.205CC..  trans70.427.1-178.200000113.8S170 S171G167-S170 PolarHBondContact O-N 3.16Å; G167-S170 PolarHBondContact O-OG 3.02Å; G167-S171 PolarHBondContact O-N 3.25Å; G167-S171 PolarHBondContact O-OG 2.97Å
168V93.8Very high94.3Very high1 Ų132.1 Ų32.11%0.00619%0.185CC..Hα-helixtrans-44-52.9178.5176.30000112.8C128 L131 F161 V166 S170 S171 M172 L178C128-V168 HydrophobicContact CB-CG2 4.06Å; L131-V168 HydrophobicContact CD2-CB 4.03Å; L131-V168 HydrophobicContact CD2-CG1 3.97Å; L131-V168 HydrophobicContact CD2-CG2 4.4Å; F161-V168 HydrophobicContact CD1-CG1 4.39Å; F161-V168 HydrophobicContact CD1-CG2 3.97Å; F161-V168 HydrophobicContact CD2-CG1 4.14Å; F161-V168 HydrophobicContact CE1-CB 4.5Å; F161-V168 HydrophobicContact CE1-CG1 4.11Å; F161-V168 HydrophobicContact CE1-CG2 4.28Å; F161-V168 HydrophobicContact CE2-CG1 3.84Å; F161-V168 HydrophobicContact CG-CG1 4.41Å; F161-V168 HydrophobicContact CG-CG2 4.2Å; F161-V168 HydrophobicContact CZ-CG1 3.84Å; V166-V168 VanDerWaalsContact C-N 3.32Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.43Å; V168-S171 PolarHBondContact O-N 3.49Å; V168-S171 PolarHBondContact O-OG 3.15Å; V168-M172 WeakPolarHBondContact O-CG 3.37Å; V168-M172 PolarHBondContact O-N 3.01Å; V168-L178 HydrophobicContact CG1-CD1 4.32Å; V168-L178 HydrophobicContact CG1-CD2 4.21Å
169P92.8Very high94.3Very high7 Ų729.1 Ų29.15%0.04517%0.172CC..Hα-helixtrans-57.7-39.9179.411.9-25.3000115L85 C105 I107L85-P169 HydrophobicContact CD1-CB 4.17Å; L85-P169 WeakPolarHBondContact CD1-O 3.49Å; C105-P169 HydrophobicContact CB-CB 3.72Å; C105-P169 HydrophobicContact CB-CG 3.88Å; I107-P169 HydrophobicContact CD1-CB 3.5Å; I107-P169 VanDerWaalsContact CD1-CB 3.5Å; I107-P169 HydrophobicContact CD1-CG 3.62Å; I107-P169 HydrophobicContact CG1-CB 3.95Å; I107-P169 HydrophobicContact CG1-CG 4.49Å
170S92.4Very high94.2Very high6 Ų626.9 Ų26.94%0.04216%0.158CC..Hα-helixtrans-80.9-23.7-176.460.70000112.8G167 V168 D254G167-S170 PolarHBondContact O-N 3.16Å; G167-S170 PolarHBondContact O-OG 3.02Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.43Å; S170-D254 WeakPolarHBondContact CB-OD2 3.38Å; S170-D254 PolarHBondContact OG-OD2 2.86Å
171S92Very high94.2Very high46 Ų4624 Ų2432%0.32214%0.141SC..Hα-helixtrans-83.3-16.7-179.561.80000115.5G167 V168G167-S171 PolarHBondContact O-N 3.25Å; G167-S171 PolarHBondContact O-OG 2.97Å; V168-S171 PolarHBondContact O-N 3.49Å; V168-S171 PolarHBondContact O-OG 3.15Å
172M94.5Very high94.1Very high23 Ų2326.5 Ų26.511%0.11315%0.151CC..SBendtrans-65161-178.2-73.7174.470.300112.4E151 F161 V168 L178 R258E151-M172 HydrophobicContact CG-CE 4.16Å; E151-M172 HydrophobicContact CG-CG 4.43Å; F161-M172 HydrophobicContact CZ-CG 4.15Å; V168-M172 WeakPolarHBondContact O-CG 3.37Å; V168-M172 PolarHBondContact O-N 3.01Å; M172-L178 HydrophobicContact CE-CB 3.86Å; M172-L178 HydrophobicContact SD-CB 4.17Å; M172-L178 HydrophobicContact SD-CD1 4.49Å; M172-R258 PolarHBondContact O-NH1 2.82Å
173S95.1Very high94Very high28 Ų2831.5 Ų31.520%0.19617%0.166CC..  trans-72.2178.9171.863.50000113.2E151 G176 R258E151-S173 VanDerWaalsContact OE1-CB 3.27Å; E151-S173 WeakPolarHBondContact OE1-CB 3.48Å; E151-S173 PolarHBondContact OE1-N 3.4Å; E151-S173 PolarHBondContact OE1-OG 3.25Å; S173-G176 WeakPolarHBondContact OG-CA 3.24Å; S173-G176 PolarHBondContact OG-N 2.89Å; S173-G176 VanDerWaalsContact OG-N 3.1Å; S173-R258 PolarHBondContact O-NH1 3.03Å; S173-R258 PolarHBondContact O-NH2 3.43Å
174H94.8Very high94.1Very high19 Ų1935.1 Ų35.19%0.08818%0.182CC..SBendtrans-70.5-52.6-174.4-69.680.3000111.5R258 E262 F265 V429 D431H174-R258 PolarHBondContact CE1-O 2.71Å; H174-R258 VanDerWaalsContact NE2-CG 3.28Å; H174-R258 WeakPolarHBondContact NE2-CG 3.44Å; H174-R258 PolarHBondContact NE2-O 2.59Å; H174-R258 VanDerWaalsContact NE2-O 3.1Å; H174-E262 VanDerWaalsContact NE2-CB 3.33Å; H174-E262 WeakPolarHBondContact NE2-CB 3.38Å; H174-F265 AromaticContact ND1-CD2 3.91Å; H174-F265 AromaticContact ND1-CE2 3.86Å; H174-V429 HydrophobicContact CB-CG2 4.05Å; H174-D431 HydrophobicContact CB-CB 4.33Å; H174-D431 WeakPolarHBondContact CB-OD2 3.46Å; H174-D431 PolarHBondContact N-OD2 3.24Å
175N96Very high94.2Very high20 Ų2031.3 Ų31.311%0.10716%0.16CC..SBendtrans-104.814.9178.1-57.7-49000112.8R177 Q195 V429 D431N175-R177 PolarHBondContact O-NH1 3.05Å; N175-Q195 HydrophobicContact CB-CB 4.41Å; N175-Q195 VanDerWaalsContact CB-O 3.24Å; N175-Q195 WeakPolarHBondContact CB-O 3.1Å; N175-Q195 WeakPolarHBondContact O-CB 3.27Å; N175-Q195 VanDerWaalsContact O-CG 3.23Å; N175-Q195 WeakPolarHBondContact O-CG 3.4Å; N175-Q195 PolarHBondContact O-NE2 3.38Å; N175-V429 PolarHBondContact ND2-O 3.2Å; N175-D431 VanDerWaalsContact CB-OD1 3.25Å; N175-D431 WeakPolarHBondContact CB-OD1 3.42Å; N175-D431 PolarHBondContact N-OD2 2.86Å; N175-D431 PolarHBondContact ND2-OD1 2.99Å
176G95.9Very high94.3Very high4 Ų429.8 Ų29.84%0.04115%0.152CC..  trans-62.6147.6168.600000112L152 S173L152-G176 WeakPolarHBondContact O-CA 3.36Å; S173-G176 WeakPolarHBondContact OG-CA 3.24Å; S173-G176 PolarHBondContact OG-N 2.89Å; S173-G176 VanDerWaalsContact OG-N 3.1Å
177R96.2Very high94.5Very high35 Ų3535.5 Ų35.513%0.13218%0.182CC..EExtended strand (participates in β ladder)trans-129.4140.3177-65.5-65.2179.9-89.4-3.2110.1E151 L152 N175 F179 L192 E194 Q195E151-R177 WeakPolarHBondContact CA-O 3.29Å; L152-R177 PolarHBondContact N-O 3.31Å; L152-R177 PolarHBondContact O-N 3.42Å; N175-R177 PolarHBondContact O-NH1 3.05Å; R177-F179 HydrophobicContact CB-CD2 4.45Å; R177-F179 HydrophobicContact CB-CE2 3.78Å; R177-F179 WeakPolarHBondContact O-CD2 3.48Å; R177-L192 HydrophobicContact CB-CD1 4.48Å; R177-L192 HydrophobicContact CG-CD1 4.3Å; R177-E194 IonicContact CZ-OE1 3.62Å; R177-E194 IonicContact NE-OE1 2.75Å; R177-E194 PolarHBondContact NE-OE1 3.38Å; R177-E194 IonicContact NH2-OE1 3.59Å; R177-Q195 HydrophobicContact CB-CG 4.45Å; R177-Q195 VanDerWaalsContact CG-CD 3.48Å; R177-Q195 HydrophobicContact CG-CG 3.49Å; R177-Q195 VanDerWaalsContact CG-CG 3.49Å
178L97.3Very high94.6Very high1 Ų139.6 Ų39.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-90.9126.3-177-168.863.4000109.5I107 V109 H110 L131 L149 F161 V168 M172I107-L178 HydrophobicContact CG2-CB 4.41Å; I107-L178 HydrophobicContact CG2-CD2 3.96Å; V109-L178 WeakPolarHBondContact CA-O 3.4Å; V109-L178 HydrophobicContact CG1-CG 4.34Å; V109-L178 HydrophobicContact CG2-CD2 4.05Å; H110-L178 PolarHBondContact CD2-O 3.29Å; H110-L178 PolarHBondContact N-O 2.92Å; L131-L178 HydrophobicContact CD2-CD2 4.11Å; L149-L178 HydrophobicContact CB-CD1 4.25Å; L149-L178 HydrophobicContact CD2-CG 4.49Å; F161-L178 HydrophobicContact CD2-CD1 4.03Å; F161-L178 HydrophobicContact CE2-CD1 3.73Å; V168-L178 HydrophobicContact CG1-CD1 4.32Å; V168-L178 HydrophobicContact CG1-CD2 4.21Å; M172-L178 HydrophobicContact CE-CB 3.86Å; M172-L178 HydrophobicContact SD-CB 4.17Å; M172-L178 HydrophobicContact SD-CD1 4.49Å
179F97.3Very high94.7Very high2 Ų240.2 Ų40.21%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-113.1145.3176.5-71.1-97.6000110.1H110 V112 L149 V150 L152 R177 L189 L192H110-F179 HydrophobicContact CB-CD1 3.55Å; H110-F179 HydrophobicContact CB-CE1 3.52Å; H110-F179 HydrophobicContact CB-CG 4.19Å; H110-F179 HydrophobicContact CB-CZ 4.13Å; H110-F179 CarbonylContact O-C 3.56Å; H110-F179 VanDerWaalsContact O-CA 3.24Å; H110-F179 WeakPolarHBondContact O-CA 3.47Å; V112-F179 HydrophobicContact CG2-CD1 3.77Å; V112-F179 HydrophobicContact CG2-CE1 3.61Å; L149-F179 WeakPolarHBondContact CA-O 3.28Å; V150-F179 PolarHBondContact N-O 3.33Å; V150-F179 PolarHBondContact O-N 2.96Å; L152-F179 HydrophobicContact CB-CD2 3.81Å; L152-F179 HydrophobicContact CB-CE2 3.67Å; L152-F179 HydrophobicContact CD2-CE2 3.91Å; L152-F179 HydrophobicContact CD2-CZ 4.22Å; L152-F179 HydrophobicContact CG-CE2 4.42Å; R177-F179 HydrophobicContact CB-CD2 4.45Å; R177-F179 HydrophobicContact CB-CE2 3.78Å; R177-F179 WeakPolarHBondContact O-CD2 3.48Å; F179-L189 HydrophobicContact CB-CD1 3.98Å; F179-L189 HydrophobicContact CB-CD2 4.16Å; F179-L189 HydrophobicContact CD1-CD2 3.77Å; F179-L189 HydrophobicContact CE1-CD2 4.4Å; F179-L189 HydrophobicContact CG-CD1 4.18Å; F179-L189 HydrophobicContact CG-CD2 4.04Å; F179-L192 HydrophobicContact CZ-CD1 3.97Å; F179-L192 HydrophobicContact CZ-CD2 4.22Å; F179-L192 HydrophobicContact CZ-CG 3.91Å
180A97.2Very high94.7Very high0 Ų044.6 Ų44.60%024%0.24CC..EExtended strand (participates in β ladder)trans-115.3116.7165.300000108V109 H110 A135 L139 L141 V147 E148 L149V109-A180 HydrophobicContact CG1-CB 3.75Å; H110-A180 PolarHBondContact O-N 3.05Å; A135-A180 HydrophobicContact CB-CB 4.37Å; L139-A180 HydrophobicContact CD1-CB 3.73Å; L141-A180 HydrophobicContact CD1-CB 4.1Å; V147-A180 HydrophobicContact CG1-CB 3.97Å; E148-A180 WeakPolarHBondContact O-CA 3.33Å; L149-A180 HydrophobicContact CD2-CB 3.89Å
181C96Very high94.8Very high2 Ų247.5 Ų47.51%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-151.7163.5-17863.30000110.8E148 Q185 L189E148-C181 PolarHBondContact N-O 3.41Å; E148-C181 PolarHBondContact O-N 3.36Å; C181-Q185 HydrophobicContact CB-CB 4.04Å; C181-L189 HydrophobicContact CB-CD2 4.47Å
182F94.8Very high94.9Very high66 Ų6647.4 Ų47.429%0.28925%0.25SS..EExtended strand (participates in β ladder)trans-72.1158.6171.5-63.7-75.8000110.9L141 G146 V147 D184 Q185L141-F182 HydrophobicContact CD2-CE2 4.02Å; G146-F182 WeakPolarHBondContact O-CD1 3.38Å; V147-F182 HydrophobicContact CG2-CD1 4.21Å; V147-F182 HydrophobicContact CG2-CE1 3.76Å; V147-F182 HydrophobicContact CG2-CZ 4.15Å; F182-D184 VanDerWaalsContact C-N 3.29Å; F182-D184 WeakPolarHBondContact CB-OD1 3.42Å; F182-D184 PolarHBondContact O-N 3.43Å; F182-Q185 HydrophobicContact CB-CG 4.25Å; F182-Q185 WeakPolarHBondContact O-CB 3.49Å; F182-Q185 PolarHBondContact O-N 2.97Å
183K92.5Very high94.8Very high158 Ų15851.9 Ų51.969%0.68728%0.281SS*.G310 helixtrans-58.7-37.5-172.5-174.6174.8-180175.90113.8E148 Q185 I186E148-K183 HydrophobicContact CG-CB 4.37Å; K183-Q185 PolarHBondContact O-N 3.34Å; K183-I186 HydrophobicContact CG-CD1 4.39Å; K183-I186 WeakPolarHBondContact O-CG1 3.37Å
184D93.3Very high94.6Very high128 Ų12855 Ų5568%0.68429%0.293SS*.G310 helixtrans-69.8-16.2177.162.1-44.9000113.4F182F182-D184 VanDerWaalsContact C-N 3.29Å; F182-D184 WeakPolarHBondContact CB-OD1 3.42Å; F182-D184 PolarHBondContact O-N 3.43Å
185Q92.9Very high94.6Very high37 Ų3754.1 Ų54.117%0.17329%0.288CS..G310 helixtrans-93.2-10.5-178.3-57.4177.1-26.800113.4E113 C181 F182 K183 D187 S188 L189E113-Q185 PolarHBondContact OE2-NE2 2.92Å; C181-Q185 HydrophobicContact CB-CB 4.04Å; F182-Q185 HydrophobicContact CB-CG 4.25Å; F182-Q185 WeakPolarHBondContact O-CB 3.49Å; F182-Q185 PolarHBondContact O-N 2.97Å; K183-Q185 PolarHBondContact O-N 3.34Å; Q185-D187 VanDerWaalsContact C-N 3.27Å; Q185-D187 PolarHBondContact O-N 2.91Å; Q185-S188 WeakPolarHBondContact O-CB 3.42Å; Q185-S188 PolarHBondContact O-N 3.07Å; Q185-L189 PolarHBondContact O-N 2.85Å
186I94.9Very high94.5Very high21 Ų2155.6 Ų55.611%0.10830%0.3CS..G310 helixtrans-57.5-42.5-175.2-63.2179000110.6E148 V150 K158 K183 S188 L189E148-I186 HydrophobicContact CB-CD1 4.25Å; E148-I186 HydrophobicContact CG-CD1 4.28Å; V150-I186 HydrophobicContact CG1-CG2 4.44Å; V150-I186 HydrophobicContact CG2-CD1 4.02Å; V150-I186 HydrophobicContact CG2-CG1 4.03Å; V150-I186 HydrophobicContact CG2-CG2 4.48Å; K158-I186 HydrophobicContact CB-CG2 4.5Å; K158-I186 HydrophobicContact CD-CG2 4.06Å; K158-I186 VanDerWaalsContact CD-O 3.28Å; K158-I186 WeakPolarHBondContact CD-O 3.43Å; K158-I186 WeakPolarHBondContact CE-O 3.23Å; K158-I186 PolarHBondContact NZ-O 3.5Å; K183-I186 HydrophobicContact CG-CD1 4.39Å; K183-I186 WeakPolarHBondContact O-CG1 3.37Å; I186-S188 PolarHBondContact O-N 3.43Å; I186-L189 WeakPolarHBondContact O-CG 3.43Å; I186-L189 PolarHBondContact O-N 3.24Å
187D94.5Very high94.3Very high141 Ų14156.6 Ų56.675%0.75431%0.311SS*.G310 helixtrans-67.4-21.9-179-70.6-30.7000113.4K158 Q185K158-D187 VanDerWaalsContact NZ-CA 3.29Å; K158-D187 PolarHBondContact NZ-O 3.26Å; Q185-D187 VanDerWaalsContact C-N 3.27Å; Q185-D187 PolarHBondContact O-N 2.91Å
188S93.5Very high94.3Very high87 Ų8756.1 Ų56.161%0.60831%0.312SS*.G310 helixtrans-89.1-4.4179.7-57.90000114.3Q185 I186 V190Q185-S188 WeakPolarHBondContact O-CB 3.42Å; Q185-S188 PolarHBondContact O-N 3.07Å; I186-S188 PolarHBondContact O-N 3.43Å; S188-V190 PolarHBondContact O-N 2.87Å
189L95.1Very high94Very high13 Ų1361 Ų617%0.06835%0.346CS..  trans-63.2135.2177.6-63.2179.1000111.8V112 V150 L152 F179 C181 Q185 I186V112-L189 HydrophobicContact CB-CD2 4.46Å; V112-L189 HydrophobicContact CG2-CD2 3.62Å; V150-L189 HydrophobicContact CB-CD1 4.09Å; V150-L189 HydrophobicContact CG1-CD1 3.97Å; L152-L189 HydrophobicContact CD2-CB 4.27Å; F179-L189 HydrophobicContact CB-CD1 3.98Å; F179-L189 HydrophobicContact CB-CD2 4.16Å; F179-L189 HydrophobicContact CD1-CD2 3.77Å; F179-L189 HydrophobicContact CE1-CD2 4.4Å; F179-L189 HydrophobicContact CG-CD1 4.18Å; F179-L189 HydrophobicContact CG-CD2 4.04Å; C181-L189 HydrophobicContact CB-CD2 4.47Å; Q185-L189 PolarHBondContact O-N 2.85Å; I186-L189 WeakPolarHBondContact O-CG 3.43Å; I186-L189 PolarHBondContact O-N 3.24Å
190V93.4Very high93.8Very high100 Ų10068 Ų6861%0.60638%0.379SS*.  trans-117.8141.6-176.9-176.50000110.5L152 S188 L192L152-V190 VanDerWaalsContact CD2-O 3.24Å; L152-V190 WeakPolarHBondContact CD2-O 3.43Å; S188-V190 PolarHBondContact O-N 2.87Å; V190-L192 PolarHBondContact O-N 3.18Å
191I94.6Very high93.3Very high67 Ų6769.2 Ų69.234%0.34439%0.387SS..  trans-63.3128.2178.6-58.9167.5000109.2L152 Q195L152-I191 HydrophobicContact CD2-CG1 4.24Å; L152-I191 HydrophobicContact CG-CG1 4.46Å; I191-Q195 HydrophobicContact CG2-CB 3.83Å; I191-Q195 HydrophobicContact CG2-CG 4.37Å
192L93.4Very high92.8Very high44 Ų4474.4 Ų74.423%0.2342%0.418CS..  trans-75.9146.1176.8-55.3177.1000110.4R177 F179 V190 E194 Q195R177-L192 HydrophobicContact CB-CD1 4.48Å; R177-L192 HydrophobicContact CG-CD1 4.3Å; F179-L192 HydrophobicContact CZ-CD1 3.97Å; F179-L192 HydrophobicContact CZ-CD2 4.22Å; F179-L192 HydrophobicContact CZ-CG 3.91Å; V190-L192 PolarHBondContact O-N 3.18Å; L192-E194 HydrophobicContact CB-CG 3.95Å; L192-E194 PolarHBondContact O-N 2.97Å; L192-E194 VanDerWaalsContact O-N 3.12Å; L192-Q195 HydrophobicContact CB-CG 4.16Å; L192-Q195 WeakPolarHBondContact O-CB 3.4Å; L192-Q195 PolarHBondContact O-N 3.35Å
193P92Very high92.4Very high116 Ų11671.8 Ų71.875%0.75341%0.407SS*.G310 helixtrans-52.4-39-179.8-28.935.3000113.8Q195 S196P193-Q195 PolarHBondContact O-N 2.95Å; P193-S196 VanDerWaalsContact O-CB 3.27Å; P193-S196 WeakPolarHBondContact O-CB 3.46Å; P193-S196 PolarHBondContact O-N 2.8Å; P193-S196 VanDerWaalsContact O-N 3.16Å; P193-S196 PolarHBondContact O-OG 2.62Å
194E90.3Very high92Very high95 Ų9566.7 Ų66.744%0.44439%0.392SS..G310 helixtrans-64.7-17.2178.956.7172.5-12700114.8R177 L192 S196R177-E194 IonicContact CZ-OE1 3.62Å; R177-E194 IonicContact NE-OE1 2.75Å; R177-E194 PolarHBondContact NE-OE1 3.38Å; R177-E194 IonicContact NH2-OE1 3.59Å; L192-E194 HydrophobicContact CB-CG 3.95Å; L192-E194 PolarHBondContact O-N 2.97Å; L192-E194 VanDerWaalsContact O-N 3.12Å; E194-S196 PolarHBondContact O-N 3.42Å
195Q94.6Very high91.7Very high0 Ų065.4 Ų65.40%039%0.388CS..G310 helixtrans-75.8-12.2176.3-59.4-171.8-107.600112.8L152 S154 N175 R177 I191 L192 P193 G197L152-Q195 PolarHBondContact O-NE2 3.34Å; S154-Q195 VanDerWaalsContact CB-O 3.32Å; S154-Q195 WeakPolarHBondContact CB-O 3.25Å; N175-Q195 HydrophobicContact CB-CB 4.41Å; N175-Q195 VanDerWaalsContact CB-O 3.24Å; N175-Q195 WeakPolarHBondContact CB-O 3.1Å; N175-Q195 WeakPolarHBondContact O-CB 3.27Å; N175-Q195 VanDerWaalsContact O-CG 3.23Å; N175-Q195 WeakPolarHBondContact O-CG 3.4Å; N175-Q195 PolarHBondContact O-NE2 3.38Å; R177-Q195 HydrophobicContact CB-CG 4.45Å; R177-Q195 VanDerWaalsContact CG-CD 3.48Å; R177-Q195 HydrophobicContact CG-CG 3.49Å; R177-Q195 VanDerWaalsContact CG-CG 3.49Å; I191-Q195 HydrophobicContact CG2-CB 3.83Å; I191-Q195 HydrophobicContact CG2-CG 4.37Å; L192-Q195 HydrophobicContact CB-CG 4.16Å; L192-Q195 WeakPolarHBondContact O-CB 3.4Å; L192-Q195 PolarHBondContact O-N 3.35Å; P193-Q195 PolarHBondContact O-N 2.95Å; Q195-G197 PolarHBondContact O-N 3.33Å
196S93.8Very high91.4Very high51 Ų5165.7 Ų65.736%0.35739%0.39SS..G310 helixtrans-68.4-14.6-177.2-58.10000113.1P193 E194 K435P193-S196 VanDerWaalsContact O-CB 3.27Å; P193-S196 WeakPolarHBondContact O-CB 3.46Å; P193-S196 PolarHBondContact O-N 2.8Å; P193-S196 VanDerWaalsContact O-N 3.16Å; P193-S196 PolarHBondContact O-OG 2.62Å; E194-S196 PolarHBondContact O-N 3.42Å; S196-K435 PolarHBondContact O-NZ 3.15Å
197G93.2Very high91.1Very high25 Ų2564.9 Ų64.926%0.25839%0.386SS..  trans71.3-172.6-169.700000112.7Q195Q195-G197 PolarHBondContact O-N 3.33Å
198P94.7Very high90.8Very high24 Ų2462.7 Ų62.716%0.15637%0.372CS..  trans-64.5148-17626.8-35.5000113.2T269 L273 R428 I430P198-T269 HydrophobicContact CG-CG2 3.79Å; P198-L273 HydrophobicContact CB-CD1 4.36Å; P198-L273 HydrophobicContact CG-CD1 4.13Å; P198-R428 HydrophobicContact CB-CB 4.38Å; P198-R428 HydrophobicContact CG-CB 4.04Å; P198-I430 HydrophobicContact CG-CG1 4.38Å
199S92.2Very high90.6Very high103 Ų10363.6 Ų63.672%0.7237%0.373SS*.SBendtrans-94.2-19.4169.6550000113.1L273S199-L273 VanDerWaalsContact O-CD2 3.28Å; S199-L273 WeakPolarHBondContact O-CD2 3.39Å
200E91.9Very high90.5Very high150 Ų15063.6 Ų63.670%0.70137%0.373SS*.SBendtrans-142.1154.6-179.3-63.5-176.4176.700109.9V202E200-V202 PolarHBondContact O-N 3.44Å
201S88.6Confident90.6Very high25 Ų2561.1 Ų61.118%0.17536%0.36CS..  trans-79.7108.1177.7173.30000110.3H203 S204 E270S201-H203 PolarHBondContact O-N 3.05Å; S201-S204 PolarHBondContact O-OG 2.88Å; S201-S204 WeakPolarHBondContact OG-CA 3.04Å; S201-S204 WeakPolarHBondContact OG-CB 3.31Å; S201-S204 PolarHBondContact OG-N 2.98Å; S201-E270 VanDerWaalsContact CB-OE2 3.26Å; S201-E270 WeakPolarHBondContact CB-OE2 3.27Å; S201-E270 PolarHBondContact OG-OE2 3.33Å
202V85Confident90.7Very high111 Ų11158.4 Ų58.467%0.67335%0.347SS*.THydrogen-bonded Turntrans-66.5-25.9175.1-173.80000111.4E200E200-V202 PolarHBondContact O-N 3.44Å
203H85Confident90.8Very high11 Ų1157 Ų575%0.05134%0.343CS..THydrogen-bonded Turntrans-109.78-171.1-62.7-55.9000113.9S201 V205 I206 L207 L423 N426S201-H203 PolarHBondContact O-N 3.05Å; H203-V205 VanDerWaalsContact C-N 3.32Å; H203-V205 PolarHBondContact O-N 3.5Å; H203-I206 PolarHBondContact O-N 3.19Å; H203-I206 VanDerWaalsContact O-N 3.13Å; H203-L207 WeakPolarHBondContact O-CB 3.49Å; H203-L207 PolarHBondContact O-N 3.38Å; H203-L423 HydrophobicContact CB-CD1 3.42Å; H203-L423 VanDerWaalsContact CB-CD1 3.42Å; H203-L423 VanDerWaalsContact CD2-CD1 3.46Å; H203-L423 WeakPolarHBondContact CD2-CD1 3.23Å; H203-N426 PolarHBondContact NE2-O 3.15Å
204S85.1Confident90.9Very high52 Ų5254 Ų5436%0.36432%0.318SS..Hα-helixtrans-53.3-45.5-174.452.10000113.2S201 L207 E208S201-S204 PolarHBondContact O-OG 2.88Å; S201-S204 WeakPolarHBondContact OG-CA 3.04Å; S201-S204 WeakPolarHBondContact OG-CB 3.31Å; S201-S204 PolarHBondContact OG-N 2.98Å; S204-L207 PolarHBondContact O-N 3.13Å; S204-E208 WeakPolarHBondContact O-CG 3.41Å; S204-E208 PolarHBondContact O-N 3.27Å
205V86.5Confident91.2Very high100 Ų10049.5 Ų49.561%0.60630%0.297SS*.Hα-helixtrans-63-48.8178.5179.10000111.1H203 L207 E208 T209H203-V205 VanDerWaalsContact C-N 3.32Å; H203-V205 PolarHBondContact O-N 3.5Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.46Å; V205-E208 PolarHBondContact O-N 3.04Å; V205-T209 HydrophobicContact CG1-CG2 4.5Å; V205-T209 WeakPolarHBondContact O-CG2 3.39Å; V205-T209 PolarHBondContact O-N 3.14Å; V205-T209 PolarHBondContact O-OG1 3.29Å
206I87.1Confident91.3Very high43 Ų4349.6 Ų49.622%0.22130%0.299CS..Hα-helixtrans-61.8-40.4-179.7-61173.8000110.5H203 T209 L210 L423H203-I206 PolarHBondContact O-N 3.19Å; H203-I206 VanDerWaalsContact O-N 3.13Å; I206-T209 PolarHBondContact O-N 3.04Å; I206-T209 PolarHBondContact O-OG1 3.43Å; I206-T209 VanDerWaalsContact O-OG1 3.13Å; I206-L210 HydrophobicContact CG2-CD1 3.4Å; I206-L210 HydrophobicContact CG2-CG 3.97Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.3Å; I206-L210 WeakPolarHBondContact O-CG 3.23Å; I206-L210 PolarHBondContact O-N 3.04Å; I206-L423 HydrophobicContact CG2-CB 4.18Å; I206-L423 HydrophobicContact CG2-CD2 3.84Å
207L89.2Confident91.4Very high5 Ų547.9 Ų47.93%0.02629%0.285CS..Hα-helixtrans-69.7-31.6178.6-172.954000112.7H203 S204 V205 L215 W266 E270 L283 K286 F287H203-L207 WeakPolarHBondContact O-CB 3.49Å; H203-L207 PolarHBondContact O-N 3.38Å; S204-L207 PolarHBondContact O-N 3.13Å; V205-L207 VanDerWaalsContact C-N 3.29Å; V205-L207 PolarHBondContact O-N 3.46Å; L207-L215 HydrophobicContact CD1-CD1 3.59Å; L207-W266 HydrophobicContact CD1-CH2 4.1Å; L207-W266 HydrophobicContact CD1-CZ2 3.99Å; L207-W266 HydrophobicContact CD2-CZ2 4.11Å; L207-E270 HydrophobicContact CD2-CB 4.19Å; L207-E270 HydrophobicContact CD2-CG 4.01Å; L207-L283 HydrophobicContact CD2-CD1 3.48Å; L207-L283 VanDerWaalsContact CD2-CD1 3.48Å; L207-L283 HydrophobicContact CG-CD1 3.86Å; L207-K286 WeakPolarHBondContact O-CE 3.41Å; L207-K286 PolarHBondContact O-NZ 3.33Å; L207-F287 HydrophobicContact CD2-CZ 4.23Å
208E87.9Confident91.5Very high95 Ų9547 Ų4744%0.44427%0.274SS..Hα-helixtrans-69.4-43.3172.2-75.9-177.9-178.300111.2S204 V205 K279 K286S204-E208 WeakPolarHBondContact O-CG 3.41Å; S204-E208 PolarHBondContact O-N 3.27Å; V205-E208 PolarHBondContact O-N 3.04Å; E208-K279 IonicContact OE1-NZ 2.8Å; E208-K279 PolarHBondContact OE1-NZ 3.34Å; E208-K279 IonicContact OE2-NZ 3.25Å; E208-K279 PolarHBondContact OE2-NZ 3.18Å; E208-K286 PolarHBondContact O-NZ 3.3Å
209T90.1Very high91.6Very high105 Ų10546 Ų4664%0.64427%0.267SS*.Hα-helixtrans-79.4-42.2-173.756.80000114.6V205 I206V205-T209 HydrophobicContact CG1-CG2 4.5Å; V205-T209 WeakPolarHBondContact O-CG2 3.39Å; V205-T209 PolarHBondContact O-N 3.14Å; V205-T209 PolarHBondContact O-OG1 3.29Å; I206-T209 PolarHBondContact O-N 3.04Å; I206-T209 PolarHBondContact O-OG1 3.43Å; I206-T209 VanDerWaalsContact O-OG1 3.13Å
210L92.6Very high91.8Very high13 Ų1341.2 Ų41.27%0.06823%0.234CC..SBendtrans-67.5140.6-176.5-71.7174.6000111.8I206 L215 K286 E419 A420 L423I206-L210 HydrophobicContact CG2-CD1 3.4Å; I206-L210 HydrophobicContact CG2-CG 3.97Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 VanDerWaalsContact O-CG 3.3Å; I206-L210 WeakPolarHBondContact O-CG 3.23Å; I206-L210 PolarHBondContact O-N 3.04Å; L210-L215 HydrophobicContact CB-CD1 4.27Å; L210-L215 HydrophobicContact CB-CD2 4.37Å; L210-L215 HydrophobicContact CB-CG 4.07Å; L210-L215 HydrophobicContact CD1-CD2 3.64Å; L210-L215 HydrophobicContact CD1-CG 4.24Å; L210-K286 WeakPolarHBondContact O-CE 3.49Å; L210-K286 PolarHBondContact O-NZ 3.13Å; L210-E419 HydrophobicContact CD2-CB 4.49Å; L210-A420 HydrophobicContact CD1-CB 3.62Å; L210-A420 HydrophobicContact CD2-CB 4.06Å; L210-A420 HydrophobicContact CG-CB 4.48Å; L210-L423 HydrophobicContact CD1-CD2 4.23Å
211S94.6Very high92Very high48 Ų4836.4 Ų36.434%0.33621%0.212SC..  trans-68.3154.1174.874.30000111.8A213 E214 L215S211-A213 PolarHBondContact O-N 3.24Å; S211-E214 WeakPolarHBondContact CA-OE2 3.05Å; S211-E214 WeakPolarHBondContact CB-OE2 3.22Å; S211-E214 PolarHBondContact N-OE2 3.04Å; S211-E214 PolarHBondContact O-N 3.5Å; S211-E214 WeakPolarHBondContact OG-CB 3.34Å; S211-E214 VanDerWaalsContact OG-CD 3.26Å; S211-E214 VanDerWaalsContact OG-CG 3.24Å; S211-E214 WeakPolarHBondContact OG-CG 3.28Å; S211-E214 PolarHBondContact OG-N 3.41Å; S211-E214 VanDerWaalsContact OG-N 3.11Å; S211-E214 PolarHBondContact OG-OE2 3.42Å; S211-L215 PolarHBondContact O-N 3.37Å
212S96.6Very high92.3Very high10 Ų1035.9 Ų35.97%0.0721%0.206CC..Hα-helixtrans-61.4-26173.8-63.30000112.8A216 K286 K289S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 2.98Å; S212-K286 WeakPolarHBondContact OG-CD 3.27Å; S212-K286 PolarHBondContact OG-O 3.33Å; S212-K289 WeakPolarHBondContact OG-CB 3.39Å
213A95.4Very high92.8Very high16 Ų1630.6 Ų30.613%0.13217%0.174CC..Hα-helixtrans-76.3-42.1179.200000111.8S211 A216 Q217 K415S211-A213 PolarHBondContact O-N 3.24Å; A213-A216 PolarHBondContact O-N 3.11Å; A213-Q217 WeakPolarHBondContact O-CB 3.33Å; A213-Q217 PolarHBondContact O-N 3.26Å; A213-K415 HydrophobicContact CB-CD 3.97Å
214E94.5Very high93.3Very high51 Ų5131.4 Ų31.424%0.23818%0.177CC..Hα-helixtrans-62.7-43.9175.3-72.1159.8133.500111.5S211 A216 Q217 H218 K415S211-E214 WeakPolarHBondContact CA-OE2 3.05Å; S211-E214 WeakPolarHBondContact CB-OE2 3.22Å; S211-E214 PolarHBondContact N-OE2 3.04Å; S211-E214 PolarHBondContact O-N 3.5Å; S211-E214 WeakPolarHBondContact OG-CB 3.34Å; S211-E214 VanDerWaalsContact OG-CD 3.26Å; S211-E214 VanDerWaalsContact OG-CG 3.24Å; S211-E214 WeakPolarHBondContact OG-CG 3.28Å; S211-E214 PolarHBondContact OG-N 3.41Å; S211-E214 VanDerWaalsContact OG-N 3.11Å; S211-E214 PolarHBondContact OG-OE2 3.42Å; E214-A216 PolarHBondContact O-N 3.36Å; E214-Q217 WeakPolarHBondContact O-CB 3.29Å; E214-Q217 PolarHBondContact O-N 2.97Å; E214-H218 PolarHBondContact O-N 3.28Å; E214-H218 VanDerWaalsContact O-N 3.09Å; E214-H218 PolarHBondContact O-ND1 2.86Å; E214-K415 HydrophobicContact CG-CB 4.09Å; E214-K415 HydrophobicContact CG-CG 4.41Å
215L95.9Very high93.7Very high1 Ų130.5 Ų30.51%0.00517%0.167CC..Hα-helixtrans-61.9-45.2176.3-72.7172000111.9L207 L210 S211 Q217 H218 L219 I290 L423L207-L215 HydrophobicContact CD1-CD1 3.59Å; L210-L215 HydrophobicContact CB-CD1 4.27Å; L210-L215 HydrophobicContact CB-CD2 4.37Å; L210-L215 HydrophobicContact CB-CG 4.07Å; L210-L215 HydrophobicContact CD1-CD2 3.64Å; L210-L215 HydrophobicContact CD1-CG 4.24Å; S211-L215 PolarHBondContact O-N 3.37Å; L215-Q217 VanDerWaalsContact C-N 3.28Å; L215-Q217 PolarHBondContact O-N 3.1Å; L215-H218 PolarHBondContact O-N 3.18Å; L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 3.33Å; L215-I290 HydrophobicContact CB-CD1 4.16Å; L215-I290 HydrophobicContact CB-CG1 4.29Å; L215-I290 HydrophobicContact CD1-CD1 3.77Å; L215-L423 HydrophobicContact CD2-CD2 3.74Å; L215-L423 HydrophobicContact CD2-CG 4.49Å
216A97.1Very high94.1Very high3 Ų326.1 Ų26.13%0.02514%0.14CC..Hα-helixtrans-62.6-35.7176.100000112.3S212 A213 E214 L220 I290 H293S212-A216 WeakPolarHBondContact O-CB 3.48Å; S212-A216 PolarHBondContact O-N 2.98Å; A213-A216 PolarHBondContact O-N 3.11Å; E214-A216 PolarHBondContact O-N 3.36Å; A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 PolarHBondContact O-N 2.88Å; A216-I290 HydrophobicContact CB-CG2 4.14Å; A216-H293 HydrophobicContact CB-CB 3.39Å
217Q96Very high94.6Very high14 Ų1424.1 Ų24.17%0.06513%0.13CC..Hα-helixtrans-64.4-43.9177.4-166.464.740.200111.9A213 E214 L215 L220 I221 I411 K415A213-Q217 WeakPolarHBondContact O-CB 3.33Å; A213-Q217 PolarHBondContact O-N 3.26Å; E214-Q217 WeakPolarHBondContact O-CB 3.29Å; E214-Q217 PolarHBondContact O-N 2.97Å; L215-Q217 VanDerWaalsContact C-N 3.28Å; L215-Q217 PolarHBondContact O-N 3.1Å; Q217-L220 PolarHBondContact O-N 3.05Å; Q217-I221 HydrophobicContact CG-CD1 4.35Å; Q217-I221 VanDerWaalsContact O-CG1 3.27Å; Q217-I221 WeakPolarHBondContact O-CG1 3.27Å; Q217-I221 PolarHBondContact O-N 2.93Å; Q217-I411 VanDerWaalsContact NE2-CA 3.33Å; Q217-K415 HydrophobicContact CB-CB 4.07Å; Q217-K415 HydrophobicContact CG-CB 4.03Å
218H95.4Very high94.8Very high8 Ų828 Ų284%0.03715%0.148CC..Hα-helixtrans-71.8-36178.5-71.782.6000112.8E214 L215 I221 Y222 K415 V416 S417 A420 Q421 V424E214-H218 PolarHBondContact O-N 3.28Å; E214-H218 VanDerWaalsContact O-N 3.09Å; E214-H218 PolarHBondContact O-ND1 2.86Å; L215-H218 PolarHBondContact O-N 3.18Å; H218-I221 PolarHBondContact O-N 2.74Å; H218-Y222 WeakPolarHBondContact O-CB 3.13Å; H218-Y222 PolarHBondContact O-N 2.87Å; H218-K415 PolarHBondContact CE1-O 3.25Å; H218-V416 VanDerWaalsContact CE1-CA 3.42Å; H218-V416 WeakPolarHBondContact CE1-CA 3.49Å; H218-S417 PolarHBondContact CE1-N 3.43Å; H218-S417 PolarHBondContact NE2-N 2.86Å; H218-S417 PolarHBondContact NE2-O 3.41Å; H218-A420 WeakPolarHBondContact CE1-CB 3.44Å; H218-A420 VanDerWaalsContact ND1-CB 3.31Å; H218-A420 WeakPolarHBondContact ND1-CB 3.33Å; H218-Q421 PolarHBondContact CD2-N 3.16Å; H218-V424 HydrophobicContact CB-CB 4.22Å; H218-V424 HydrophobicContact CB-CG1 4.38Å; H218-V424 HydrophobicContact CB-CG2 3.74Å
219L97Very high95Very high1 Ų124.1 Ų24.11%0.00513%0.13CC..Hα-helixtrans-58.4-50.4171.1-71.7169.9000110.5L215 I221 Y222 H223 L263 I290 I306 V424 F427L215-L219 VanDerWaalsContact O-CG 3.29Å; L215-L219 WeakPolarHBondContact O-CG 3.45Å; L215-L219 PolarHBondContact O-N 3.33Å; L219-I221 VanDerWaalsContact C-N 3.35Å; L219-I221 PolarHBondContact O-N 3.29Å; L219-Y222 PolarHBondContact O-N 2.92Å; L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-N 2.63Å; L219-H223 PolarHBondContact O-ND1 3.26Å; L219-L263 HydrophobicContact CD1-CD1 4.42Å; L219-L263 HydrophobicContact CD2-CD1 4.04Å; L219-L263 HydrophobicContact CD2-CD2 4.31Å; L219-I290 HydrophobicContact CD1-CG2 3.78Å; L219-I306 HydrophobicContact CD1-CD1 4.33Å; L219-V424 HydrophobicContact CD2-CG1 4.12Å; L219-V424 HydrophobicContact CD2-CG2 4.12Å; L219-V424 HydrophobicContact CG-CG2 4.17Å; L219-F427 HydrophobicContact CD2-CE2 4.31Å; L219-F427 HydrophobicContact CD2-CZ 4.1Å
220L96.9Very high95.2Very high4 Ų419.2 Ų19.22%0.02110%0.1CC..Hα-helixtrans-54.7-48.1176.8170.367.6000112A216 Q217 W224 D299 I361 P409A216-L220 WeakPolarHBondContact O-CB 3.33Å; A216-L220 PolarHBondContact O-N 2.88Å; Q217-L220 PolarHBondContact O-N 3.05Å; L220-W224 WeakPolarHBondContact O-CB 3.42Å; L220-W224 PolarHBondContact O-N 3.36Å; L220-D299 HydrophobicContact CD1-CB 3.92Å; L220-I361 HydrophobicContact CD1-CD1 3.95Å; L220-P409 HydrophobicContact CD1-CB 4.04Å; L220-P409 HydrophobicContact CD1-CG 4.39Å; L220-P409 HydrophobicContact CD2-CB 4.21Å; L220-P409 HydrophobicContact CG-CB 4.34Å
221I95Very high95.2Very high49 Ų4921 Ų2125%0.25111%0.108SC..Hα-helixtrans-59.4-51.2179.8-68.5164.2000110.4Q217 H218 L219 W224 Q225 I411 V416Q217-I221 HydrophobicContact CG-CD1 4.35Å; Q217-I221 VanDerWaalsContact O-CG1 3.27Å; Q217-I221 WeakPolarHBondContact O-CG1 3.27Å; Q217-I221 PolarHBondContact O-N 2.93Å; H218-I221 PolarHBondContact O-N 2.74Å; L219-I221 VanDerWaalsContact C-N 3.35Å; L219-I221 PolarHBondContact O-N 3.29Å; I221-W224 PolarHBondContact O-N 2.82Å; I221-Q225 PolarHBondContact O-N 2.79Å; I221-Q225 VanDerWaalsContact O-N 3.07Å; I221-I411 HydrophobicContact CD1-CG2 3.86Å; I221-I411 HydrophobicContact CG1-CD1 3.88Å; I221-I411 HydrophobicContact CG1-CG1 4.02Å; I221-I411 HydrophobicContact CG1-CG2 4.22Å; I221-V416 HydrophobicContact CD1-CG2 3.83Å
222Y94.8Very high95.1Very high13 Ų1319.3 Ų19.35%0.05110%0.095CC..Hα-helixtrans-69.3-43.4-174.7-175.5-154.6000112.1H218 L219 W224 Q225 L226 V424 H425H218-Y222 WeakPolarHBondContact O-CB 3.13Å; H218-Y222 PolarHBondContact O-N 2.87Å; L219-Y222 PolarHBondContact O-N 2.92Å; Y222-W224 VanDerWaalsContact C-N 3.33Å; Y222-W224 PolarHBondContact O-N 2.57Å; Y222-Q225 WeakPolarHBondContact O-CB 3.45Å; Y222-Q225 PolarHBondContact O-N 3.5Å; Y222-L226 HydrophobicContact CD2-CD1 4.39Å; Y222-L226 HydrophobicContact CD2-CG 4.31Å; Y222-L226 HydrophobicContact CE2-CD1 4.03Å; Y222-L226 HydrophobicContact CE2-CD2 4.23Å; Y222-L226 HydrophobicContact CE2-CG 4.03Å; Y222-L226 PolarHBondContact O-N 3.03Å; Y222-L226 VanDerWaalsContact O-N 3.14Å; Y222-V424 HydrophobicContact CD1-CG1 3.88Å; Y222-V424 HydrophobicContact CG-CG1 4.48Å; Y222-H425 AromaticContact CD2-CE1 3.83Å; Y222-H425 AromaticContact CE2-CE1 3.94Å; Y222-H425 AromaticContact CG-NE2 3.97Å
223H96.2Very high94.9Very high0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-69.4-32.6177.6-58.1151.5000112.4L219 Q225 L226 F227 F256 R259 D299 F301 S302 I361L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-N 2.63Å; L219-H223 PolarHBondContact O-ND1 3.26Å; H223-Q225 VanDerWaalsContact C-N 3.34Å; H223-L226 PolarHBondContact O-N 2.77Å; H223-F227 VanDerWaalsContact O-CB 3.24Å; H223-F227 WeakPolarHBondContact O-CB 3.27Å; H223-F227 PolarHBondContact O-N 2.76Å; H223-F256 HydrophobicContact CB-CE2 4.45Å; H223-R259 PolarHBondContact NE2-NE 3.03Å; H223-D299 IonicContact ND1-OD2 3.65Å; H223-F301 HydrophobicContact CB-CD1 4.16Å; H223-F301 HydrophobicContact CB-CE1 4.42Å; H223-F301 AromaticContact CD2-CE1 3.73Å; H223-F301 AromaticContact CE1-CD1 3.93Å; H223-F301 AromaticContact CE1-CE1 3.92Å; H223-F301 AromaticContact CG-CD1 3.73Å; H223-F301 AromaticContact CG-CE1 3.78Å; H223-F301 AromaticContact ND1-CD1 3.58Å; H223-F301 AromaticContact ND1-CE1 3.9Å; H223-F301 AromaticContact NE2-CE1 3.81Å; H223-S302 PolarHBondContact CE1-OG 3.07Å; H223-S302 PolarHBondContact ND1-OG 3.37Å; H223-I361 HydrophobicContact CB-CD1 3.9Å
224W95.8Very high94.9Very high29 Ų2920.3 Ų20.311%0.119%0.094CC..Hα-helixtrans-62.4-43172.1-177.8-99.9000111.2L220 I221 Y222 F227 H228 P359 I361 H407 P409L220-W224 WeakPolarHBondContact O-CB 3.42Å; L220-W224 PolarHBondContact O-N 3.36Å; I221-W224 PolarHBondContact O-N 2.82Å; Y222-W224 VanDerWaalsContact C-N 3.33Å; Y222-W224 PolarHBondContact O-N 2.57Å; W224-F227 HydrophobicContact CE3-CD1 4.12Å; W224-F227 AromaticContact CZ3-CD1 3.97Å; W224-F227 HydrophobicContact CZ3-CD1 3.97Å; W224-F227 HydrophobicContact CZ3-CE1 4.22Å; W224-F227 PolarHBondContact O-N 2.72Å; W224-H228 WeakPolarHBondContact O-CB 3.19Å; W224-H228 PolarHBondContact O-N 2.96Å; W224-P359 HydrophobicContact CH2-CB 3.57Å; W224-P359 HydrophobicContact CZ2-CB 4.48Å; W224-P359 HydrophobicContact CZ3-CB 3.63Å; W224-I361 HydrophobicContact CB-CD1 4.03Å; W224-I361 HydrophobicContact CE3-CD1 4.11Å; W224-I361 HydrophobicContact CE3-CG1 3.68Å; W224-I361 HydrophobicContact CZ3-CG1 4.24Å; W224-H407 WeakPolarHBondContact CH2-O 3.48Å; W224-H407 WeakPolarHBondContact CZ2-O 3.18Å; W224-P409 HydrophobicContact CB-CG 4.08Å; W224-P409 HydrophobicContact CD2-CG 3.64Å; W224-P409 HydrophobicContact CE3-CG 4.03Å; W224-P409 HydrophobicContact CG-CG 3.6Å
225Q94Very high95Very high33 Ų3318 Ų1815%0.1548%0.083CC..Hα-helixtrans-59.4-48.7176.9-176.7-179.5-700111.5L93 P94 I221 Y222 H223 F227 H228 N229L93-Q225 PolarHBondContact O-NE2 2.82Å; P94-Q225 PolarHBondContact O-NE2 3.27Å; I221-Q225 PolarHBondContact O-N 2.79Å; I221-Q225 VanDerWaalsContact O-N 3.07Å; Y222-Q225 WeakPolarHBondContact O-CB 3.45Å; Y222-Q225 PolarHBondContact O-N 3.5Å; H223-Q225 VanDerWaalsContact C-N 3.34Å; Q225-F227 PolarHBondContact O-N 2.86Å; Q225-H228 PolarHBondContact O-N 2.86Å; Q225-N229 WeakPolarHBondContact O-CB 3.41Å; Q225-N229 VanDerWaalsContact O-CG 3.25Å; Q225-N229 PolarHBondContact O-N 2.89Å
226L94.9Very high95Very high8 Ų819.4 Ų19.44%0.0429%0.091CC..Hα-helixtrans-62.2-43.2176.9-65.9174000112Y222 H223 N229 T230 L255 F256 R259Y222-L226 HydrophobicContact CD2-CD1 4.39Å; Y222-L226 HydrophobicContact CD2-CG 4.31Å; Y222-L226 HydrophobicContact CE2-CD1 4.03Å; Y222-L226 HydrophobicContact CE2-CD2 4.23Å; Y222-L226 HydrophobicContact CE2-CG 4.03Å; Y222-L226 PolarHBondContact O-N 3.03Å; Y222-L226 VanDerWaalsContact O-N 3.14Å; H223-L226 PolarHBondContact O-N 2.77Å; L226-N229 PolarHBondContact O-N 2.86Å; L226-T230 PolarHBondContact O-N 3.09Å; L226-T230 VanDerWaalsContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 3.43Å; L226-L255 HydrophobicContact CD2-CB 4.49Å; L226-F256 HydrophobicContact CB-CB 4.31Å; L226-F256 HydrophobicContact CB-CD2 3.74Å; L226-F256 HydrophobicContact CB-CE2 4.4Å; L226-F256 HydrophobicContact CB-CG 4.22Å; L226-F256 HydrophobicContact CD1-CD2 4.4Å; L226-R259 HydrophobicContact CD1-CB 3.75Å; L226-R259 HydrophobicContact CD1-CG 3.68Å
227F95.8Very high94.9Very high1 Ų120.4 Ų20.40%0.0049%0.094CC..Hα-helixtrans-64.2-47.4178.1178.7-134.4000111.6H223 W224 Q225 N229 T230 F256 V360 I361 P362 I364 L401 K405H223-F227 VanDerWaalsContact O-CB 3.24Å; H223-F227 WeakPolarHBondContact O-CB 3.27Å; H223-F227 PolarHBondContact O-N 2.76Å; W224-F227 HydrophobicContact CE3-CD1 4.12Å; W224-F227 AromaticContact CZ3-CD1 3.97Å; W224-F227 HydrophobicContact CZ3-CD1 3.97Å; W224-F227 HydrophobicContact CZ3-CE1 4.22Å; W224-F227 PolarHBondContact O-N 2.72Å; Q225-F227 PolarHBondContact O-N 2.86Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.39Å; F227-T230 WeakPolarHBondContact O-CB 3.36Å; F227-T230 PolarHBondContact O-N 3.46Å; F227-T230 VanDerWaalsContact O-N 3.12Å; F227-F256 HydrophobicContact CB-CE1 3.78Å; F227-F256 HydrophobicContact CB-CE2 4.24Å; F227-F256 HydrophobicContact CB-CZ 3.64Å; F227-F256 HydrophobicContact CD2-CD1 4.43Å; F227-F256 AromaticContact CD2-CE1 3.58Å; F227-F256 HydrophobicContact CD2-CE1 3.58Å; F227-F256 HydrophobicContact CD2-CZ 4.15Å; F227-F256 HydrophobicContact CG-CE1 4.03Å; F227-F256 HydrophobicContact CG-CZ 4.15Å; F227-V360 WeakPolarHBondContact CE1-O 3.43Å; F227-I361 HydrophobicContact CB-CG2 4.16Å; F227-I361 HydrophobicContact CD1-CG1 4.3Å; F227-I361 HydrophobicContact CD1-CG2 4.23Å; F227-I361 HydrophobicContact CG-CG2 4.18Å; F227-P362 HydrophobicContact CE2-CG 4.23Å; F227-P362 HydrophobicContact CZ-CG 4.11Å; F227-I364 HydrophobicContact CE2-CD1 4.39Å; F227-L401 HydrophobicContact CE2-CD1 3.67Å; F227-L401 HydrophobicContact CE2-CG 4.11Å; F227-L401 HydrophobicContact CZ-CD1 4.12Å; F227-L401 HydrophobicContact CZ-CG 4.39Å; F227-K405 HydrophobicContact CD1-CG 4.26Å; F227-K405 HydrophobicContact CE1-CD 4.47Å; F227-K405 HydrophobicContact CE1-CG 3.57Å; F227-K405 HydrophobicContact CE2-CG 4.45Å; F227-K405 HydrophobicContact CZ-CD 4.32Å; F227-K405 HydrophobicContact CZ-CG 3.68Å; F227-K405 WeakPolarHBondContact O-CE 3.49Å; F227-K405 PolarHBondContact O-NZ 2.95Å
228H93.8Very high94.8Very high87 Ų8723.2 Ų23.240%0.40311%0.107SC..Hα-helixtrans-57.1-46.2178.7-174.476.4000110.9W224 Q225 T230 K405W224-H228 WeakPolarHBondContact O-CB 3.19Å; W224-H228 PolarHBondContact O-N 2.96Å; Q225-H228 PolarHBondContact O-N 2.86Å; H228-T230 VanDerWaalsContact C-N 3.29Å; H228-T230 PolarHBondContact O-N 3.11Å; H228-K405 PolarHBondContact O-NZ 3.45Å
229N92.2Very high94.9Very high13 Ų1323.5 Ų23.57%0.0711%0.109CC..Hα-helixtrans-67.8-21.8178.1-72.6-6.1000114.3S97 P98 Q225 L226 F227 H231S97-N229 PolarHBondContact O-ND2 2.97Å; S97-N229 VanDerWaalsContact O-ND2 3.13Å; P98-N229 HydrophobicContact CB-CB 4Å; Q225-N229 WeakPolarHBondContact O-CB 3.41Å; Q225-N229 VanDerWaalsContact O-CG 3.25Å; Q225-N229 PolarHBondContact O-N 2.89Å; L226-N229 PolarHBondContact O-N 2.86Å; F227-N229 VanDerWaalsContact C-N 3.32Å; F227-N229 PolarHBondContact O-N 3.39Å; N229-H231 PolarHBondContact O-N 3.49Å
230T93.9Very high94.8Very high2 Ų225.4 Ų25.41%0.01212%0.119CC..SBendtrans-74.7108.7179.5-59.50000111.1L226 F227 H228 L235 L253 K405L226-T230 PolarHBondContact O-N 3.09Å; L226-T230 VanDerWaalsContact O-N 3.12Å; L226-T230 PolarHBondContact O-OG1 3.43Å; F227-T230 WeakPolarHBondContact O-CB 3.36Å; F227-T230 PolarHBondContact O-N 3.46Å; F227-T230 VanDerWaalsContact O-N 3.12Å; H228-T230 VanDerWaalsContact C-N 3.29Å; H228-T230 PolarHBondContact O-N 3.11Å; T230-L235 HydrophobicContact CG2-CD1 4.08Å; T230-L253 HydrophobicContact CG2-CB 3.86Å; T230-L253 HydrophobicContact CG2-CD1 4.12Å; T230-K405 PolarHBondContact O-NZ 3.2Å
231H92.8Very high94.6Very high50 Ų5026 Ų2623%0.23113%0.127CC..  trans-72.2149.1177.5-167.4-98.4000111.5N229 Y233 E234N229-H231 PolarHBondContact O-N 3.49Å; H231-Y233 AromaticContact CE1-CD1 3.74Å; H231-Y233 AromaticContact CE1-CD2 3.65Å; H231-Y233 AromaticContact CE1-CG 3.5Å; H231-Y233 WeakPolarHBondContact ND1-CB 3.35Å; H231-Y233 AromaticContact ND1-CD1 3.95Å; H231-Y233 AromaticContact ND1-CD2 3.78Å; H231-Y233 AromaticContact ND1-CG 3.42Å; H231-Y233 PolarHBondContact ND1-N 2.77Å; H231-Y233 VanDerWaalsContact ND1-N 3.17Å; H231-Y233 PolarHBondContact O-N 3.46Å; H231-E234 HydrophobicContact CB-CG 4.32Å; H231-E234 PolarHBondContact N-OE1 2.98Å; H231-E234 WeakPolarHBondContact O-CB 3.48Å; H231-E234 PolarHBondContact O-N 3.46Å
232E93.1Very high94.4Very high13 Ų1326 Ų266%0.06112%0.123CC..Hα-helixtrans-64.1-26.2-178.359.8176-133.700113.2L24 E234 L235 L398 L401 R402L24-E232 VanDerWaalsContact CD1-OE1 3.27Å; L24-E232 WeakPolarHBondContact CD1-OE1 3.39Å; E232-E234 VanDerWaalsContact C-N 3.27Å; E232-E234 PolarHBondContact O-N 3.16Å; E232-L235 PolarHBondContact O-N 3.28Å; E232-L398 HydrophobicContact CB-CB 4.27Å; E232-L398 HydrophobicContact CB-CD2 4.24Å; E232-L398 WeakPolarHBondContact O-CD2 3.47Å; E232-L401 HydrophobicContact CB-CD2 3.87Å; E232-R402 IonicContact OE1-CZ 3.7Å; E232-R402 IonicContact OE1-NH2 3.84Å; E232-R402 PolarHBondContact OE1-NH2 3.01Å; E232-R402 IonicContact OE2-CZ 3.08Å; E232-R402 VanDerWaalsContact OE2-CZ 3.29Å; E232-R402 IonicContact OE2-NE 3.16Å; E232-R402 PolarHBondContact OE2-NE 3.31Å; E232-R402 IonicContact OE2-NH2 2.74Å; E232-R402 PolarHBondContact OE2-NH2 3.13Å
233Y93.2Very high94Very high37 Ų3729.9 Ų29.915%0.14515%0.145CC..Hα-helixtrans-68.2-25.6174.7-66.3-5.6000113.1L24 A25 H231 L235 L236 Y237L24-Y233 HydrophobicContact CG-CE1 4.46Å; A25-Y233 HydrophobicContact CB-CE2 3.64Å; H231-Y233 AromaticContact CE1-CD1 3.74Å; H231-Y233 AromaticContact CE1-CD2 3.65Å; H231-Y233 AromaticContact CE1-CG 3.5Å; H231-Y233 WeakPolarHBondContact ND1-CB 3.35Å; H231-Y233 AromaticContact ND1-CD1 3.95Å; H231-Y233 AromaticContact ND1-CD2 3.78Å; H231-Y233 AromaticContact ND1-CG 3.42Å; H231-Y233 PolarHBondContact ND1-N 2.77Å; H231-Y233 VanDerWaalsContact ND1-N 3.17Å; H231-Y233 PolarHBondContact O-N 3.46Å; Y233-L235 PolarHBondContact O-N 3.37Å; Y233-L236 HydrophobicContact CD1-CD1 4.16Å; Y233-L236 WeakPolarHBondContact O-CA 3.34Å; Y233-L236 VanDerWaalsContact O-CB 3.31Å; Y233-L236 WeakPolarHBondContact O-CB 3.28Å; Y233-L236 PolarHBondContact O-N 3.18Å; Y233-Y237 WeakPolarHBondContact O-CD1 3.48Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.19Å; Y233-Y237 VanDerWaalsContact O-CG 3.25Å; Y233-Y237 PolarHBondContact O-N 3.2Å
234E95.1Very high93.7Very high10 Ų1038 Ų385%0.04718%0.176CC..Hα-helixtrans-63.6-32.3177.2-64.2-174.3-121.900111.4H231 E232 L236 Y237 Q238 P250 V251 N252 L253H231-E234 HydrophobicContact CB-CG 4.32Å; H231-E234 PolarHBondContact N-OE1 2.98Å; H231-E234 WeakPolarHBondContact O-CB 3.48Å; H231-E234 PolarHBondContact O-N 3.46Å; E232-E234 VanDerWaalsContact C-N 3.27Å; E232-E234 PolarHBondContact O-N 3.16Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 3.31Å; E234-Y237 HydrophobicContact CG-CD2 4.42Å; E234-Y237 PolarHBondContact O-N 3.22Å; E234-Q238 WeakPolarHBondContact O-CB 3.38Å; E234-Q238 PolarHBondContact O-N 3.5Å; E234-P250 HydrophobicContact CB-CB 3.93Å; E234-P250 WeakPolarHBondContact O-CB 3.46Å; E234-P250 VanDerWaalsContact OE2-CA 3.29Å; E234-P250 WeakPolarHBondContact OE2-CA 3.31Å; E234-V251 PolarHBondContact OE2-N 2.88Å; E234-V251 VanDerWaalsContact OE2-N 3.15Å; E234-N252 WeakPolarHBondContact OE1-CB 3.24Å; E234-N252 PolarHBondContact OE1-ND2 3.04Å; E234-N252 WeakPolarHBondContact OE2-CA 3.28Å; E234-N252 WeakPolarHBondContact OE2-CB 3.27Å; E234-N252 PolarHBondContact OE2-N 3.15Å; E234-L253 HydrophobicContact CB-CB 3.89Å; E234-L253 HydrophobicContact CB-CD2 4.42Å; E234-L253 WeakPolarHBondContact O-CD2 3.17Å; E234-L253 PolarHBondContact OE2-N 3.26Å
235L96.9Very high93.3Very high1 Ų139.3 Ų39.31%0.00518%0.183CC..Hα-helixtrans-64.5-36.9172.3-74.472.4000111T230 E232 Y233 T239 L253 L368 L371 L398 L401T230-L235 HydrophobicContact CG2-CD1 4.08Å; E232-L235 PolarHBondContact O-N 3.28Å; Y233-L235 PolarHBondContact O-N 3.37Å; L235-T239 VanDerWaalsContact O-CB 3.26Å; L235-T239 WeakPolarHBondContact O-CB 3.31Å; L235-T239 PolarHBondContact O-N 3.37Å; L235-T239 PolarHBondContact O-OG1 3.45Å; L235-L253 HydrophobicContact CD1-CD1 4.27Å; L235-L253 HydrophobicContact CD1-CD2 4.35Å; L235-L253 HydrophobicContact CG-CD2 4.26Å; L235-L368 HydrophobicContact CB-CD2 4.36Å; L235-L368 HydrophobicContact CG-CD2 4.07Å; L235-L371 HydrophobicContact CB-CD1 3.64Å; L235-L371 HydrophobicContact CD2-CD1 3.81Å; L235-L371 HydrophobicContact CG-CD1 4.29Å; L235-L398 HydrophobicContact CB-CD2 4.31Å; L235-L401 HydrophobicContact CD1-CD2 3.76Å; L235-L401 HydrophobicContact CD2-CD1 4.25Å; L235-L401 HydrophobicContact CD2-CD2 3.95Å
236L95.3Very high92.6Very high32 Ų3243.5 Ų43.517%0.16821%0.212CC..Hα-helixtrans-67.9-44.6175.6-59.2179000111.6Y233 E234 Q238 T239 I240 M394 L398Y233-L236 HydrophobicContact CD1-CD1 4.16Å; Y233-L236 WeakPolarHBondContact O-CA 3.34Å; Y233-L236 VanDerWaalsContact O-CB 3.31Å; Y233-L236 WeakPolarHBondContact O-CB 3.28Å; Y233-L236 PolarHBondContact O-N 3.18Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 3.31Å; L236-Q238 VanDerWaalsContact C-N 3.29Å; L236-Q238 PolarHBondContact O-N 3.38Å; L236-T239 PolarHBondContact O-N 2.97Å; L236-I240 HydrophobicContact CB-CD1 4.25Å; L236-I240 VanDerWaalsContact O-CB 3.3Å; L236-I240 WeakPolarHBondContact O-CB 3.37Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.18Å; L236-M394 HydrophobicContact CD2-CE 3.5Å; L236-M394 VanDerWaalsContact CD2-CE 3.5Å; L236-L398 HydrophobicContact CD1-CD1 3.72Å; L236-L398 HydrophobicContact CD2-CD1 3.86Å; L236-L398 HydrophobicContact CD2-CD2 4.36Å; L236-L398 HydrophobicContact CD2-CG 4.46Å; L236-L398 HydrophobicContact CG-CD1 3.83Å
237Y94.3Very high91.8Very high24 Ų2445.7 Ų45.79%0.09424%0.237CC..Hα-helixtrans-60.6-42.1178.5-53.3-29.5000111.1Y233 E234 G241 R242 F245 R248Y233-Y237 WeakPolarHBondContact O-CD1 3.48Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.19Å; Y233-Y237 VanDerWaalsContact O-CG 3.25Å; Y233-Y237 PolarHBondContact O-N 3.2Å; E234-Y237 HydrophobicContact CG-CD2 4.42Å; E234-Y237 PolarHBondContact O-N 3.22Å; Y237-G241 CarbonylContact O-C 3.45Å; Y237-G241 WeakPolarHBondContact O-CA 3.21Å; Y237-G241 PolarHBondContact O-N 3.2Å; Y237-G241 VanDerWaalsContact O-N 3.09Å; Y237-R242 PolarHBondContact O-N 3.25Å; Y237-F245 HydrophobicContact CD1-CB 3.85Å; Y237-F245 AromaticContact CD1-CD1 3.7Å; Y237-F245 HydrophobicContact CD1-CD1 3.7Å; Y237-F245 AromaticContact CD1-CD2 3.5Å; Y237-F245 HydrophobicContact CD1-CD2 3.5Å; Y237-F245 VanDerWaalsContact CD1-CD2 3.5Å; Y237-F245 HydrophobicContact CD1-CE1 4.08Å; Y237-F245 AromaticContact CD1-CE2 3.91Å; Y237-F245 HydrophobicContact CD1-CE2 3.91Å; Y237-F245 AromaticContact CD1-CG 3.38Å; Y237-F245 HydrophobicContact CD1-CG 3.38Å; Y237-F245 HydrophobicContact CD1-CZ 4.18Å; Y237-F245 HydrophobicContact CE1-CB 4.07Å; Y237-F245 AromaticContact CE1-CD1 3.66Å; Y237-F245 HydrophobicContact CE1-CD1 3.66Å; Y237-F245 HydrophobicContact CE1-CD2 4.3Å; Y237-F245 HydrophobicContact CE1-CE1 4.14Å; Y237-F245 AromaticContact CE1-CG 3.74Å; Y237-F245 HydrophobicContact CE1-CG 3.74Å; Y237-F245 HydrophobicContact CG-CD2 4.24Å; Y237-F245 HydrophobicContact CG-CG 4.34Å; Y237-R248 HydrophobicContact CD1-CB 4.42Å; Y237-R248 HydrophobicContact CD2-CB 4.01Å; Y237-R248 HydrophobicContact CE1-CB 4.07Å; Y237-R248 HydrophobicContact CE1-CG 4.43Å; Y237-R248 HydrophobicContact CE2-CB 3.64Å; Y237-R248 HydrophobicContact CE2-CG 4.36Å; Y237-R248 HydrophobicContact CG-CB 4.4Å
238Q95.3Very high91.4Very high72 Ų7247.2 Ų47.234%0.33624%0.243SC..Hα-helixtrans-66.5-44.9175.5179.962.512.900112.3E234 L236 R242 P250 L253 L368E234-Q238 WeakPolarHBondContact O-CB 3.38Å; E234-Q238 PolarHBondContact O-N 3.5Å; L236-Q238 VanDerWaalsContact C-N 3.29Å; L236-Q238 PolarHBondContact O-N 3.38Å; Q238-R242 VanDerWaalsContact OE1-CZ 3.3Å; Q238-P250 HydrophobicContact CB-CB 4.26Å; Q238-P250 HydrophobicContact CB-CG 4.34Å; Q238-L253 HydrophobicContact CB-CD2 3.65Å; Q238-L253 HydrophobicContact CG-CD2 4.07Å; Q238-L368 HydrophobicContact CG-CD2 4.43Å
239T96.4Very high91.1Very high14 Ų1444.1 Ų44.19%0.08623%0.229CC..Hα-helixtrans-72.4-42.9-176.3-69.10000113.4L235 L236 L371 H375 M394L235-T239 VanDerWaalsContact O-CB 3.26Å; L235-T239 WeakPolarHBondContact O-CB 3.31Å; L235-T239 PolarHBondContact O-N 3.37Å; L235-T239 PolarHBondContact O-OG1 3.45Å; L236-T239 PolarHBondContact O-N 2.97Å; T239-L371 HydrophobicContact CG2-CB 3.95Å; T239-L371 WeakPolarHBondContact CG2-O 3.35Å; T239-L371 WeakPolarHBondContact OG1-CB 3.36Å; T239-H375 HydrophobicContact CG2-CB 3.6Å; T239-M394 HydrophobicContact CG2-CE 4.25Å
240I95.1Very high91.2Very high41 Ų4143.5 Ų43.521%0.2123%0.226CC..Hα-helixtrans-84.3-29.1-174.4-66.1166.5000111.2L236 R244 F245 M394L236-I240 HydrophobicContact CB-CD1 4.25Å; L236-I240 VanDerWaalsContact O-CB 3.3Å; L236-I240 WeakPolarHBondContact O-CB 3.37Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 3.18Å; I240-R244 HydrophobicContact CG2-CB 4.47Å; I240-R244 WeakPolarHBondContact O-CD 3.48Å; I240-F245 HydrophobicContact CB-CE2 3.76Å; I240-F245 HydrophobicContact CB-CZ 4.02Å; I240-F245 HydrophobicContact CD1-CE2 4.36Å; I240-F245 HydrophobicContact CD1-CZ 3.78Å; I240-F245 HydrophobicContact CG2-CE2 3.7Å; I240-F245 HydrophobicContact CG2-CZ 3.83Å; I240-M394 HydrophobicContact CD1-CE 4.06Å; I240-M394 HydrophobicContact CG1-CE 4.11Å
241G92.5Very high91.2Very high18 Ų1843.7 Ų43.719%0.18623%0.227CC..  trans129.3126.3178.300000112.1Y237 N243 R244 F245Y237-G241 CarbonylContact O-C 3.45Å; Y237-G241 WeakPolarHBondContact O-CA 3.21Å; Y237-G241 PolarHBondContact O-N 3.2Å; Y237-G241 VanDerWaalsContact O-N 3.09Å; G241-N243 VanDerWaalsContact C-N 3.29Å; G241-N243 PolarHBondContact O-N 3.34Å; G241-R244 WeakPolarHBondContact O-CB 3.13Å; G241-R244 PolarHBondContact O-N 3.15Å; G241-F245 WeakPolarHBondContact O-CD2 3.42Å
242R90.5Very high91.2Very high47 Ų4742 Ų4218%0.17722%0.22CC..G310 helixtrans-58.9-37.9-173.4-59176.8175.3-130.8-7.7113.4V166 Y237 Q238 R244 P250 D254V166-R242 HydrophobicContact CG2-CB 3.74Å; Y237-R242 PolarHBondContact O-N 3.25Å; Q238-R242 VanDerWaalsContact OE1-CZ 3.3Å; R242-R244 VanDerWaalsContact C-N 3.27Å; R242-R244 PolarHBondContact O-N 3.17Å; R242-P250 HydrophobicContact CG-CG 4.24Å; R242-D254 IonicContact CZ-OD1 3.29Å; R242-D254 IonicContact CZ-OD2 3.15Å; R242-D254 IonicContact NH1-OD1 3.34Å; R242-D254 IonicContact NH1-OD2 3.78Å; R242-D254 PolarHBondContact NH1-OD2 3.45Å; R242-D254 VanDerWaalsContact NH2-CG 3.35Å; R242-D254 IonicContact NH2-OD1 3.72Å; R242-D254 PolarHBondContact NH2-OD1 3.48Å; R242-D254 IonicContact NH2-OD2 3.57Å; R242-D254 PolarHBondContact NH2-OD2 2.87Å
243N87Confident91.4Very high95 Ų9541.4 Ų41.451%0.50822%0.217SC..G310 helixtrans-78.7-7.118062.6-18.7000113.6G241 F245G241-N243 VanDerWaalsContact C-N 3.29Å; G241-N243 PolarHBondContact O-N 3.34Å; N243-F245 VanDerWaalsContact C-N 3.32Å
244R89Confident91.5Very high172 Ų17240.3 Ų40.365%0.64921%0.214SC*.G310 helixtrans-84.1-6.9177.9-60.2-164.2179.5-148.93.3113.7I240 G241 R242I240-R244 HydrophobicContact CG2-CB 4.47Å; I240-R244 WeakPolarHBondContact O-CD 3.48Å; G241-R244 WeakPolarHBondContact O-CB 3.13Å; G241-R244 PolarHBondContact O-N 3.15Å; R242-R244 VanDerWaalsContact C-N 3.27Å; R242-R244 PolarHBondContact O-N 3.17Å
245F87.7Confident91.5Very high56 Ų5639.9 Ų39.925%0.24621%0.212CC..SBendtrans-125.485.2178.9-56.7-89.4000109.9Y237 I240 G241 N243 G247 R248Y237-F245 HydrophobicContact CD1-CB 3.85Å; Y237-F245 AromaticContact CD1-CD1 3.7Å; Y237-F245 HydrophobicContact CD1-CD1 3.7Å; Y237-F245 AromaticContact CD1-CD2 3.5Å; Y237-F245 HydrophobicContact CD1-CD2 3.5Å; Y237-F245 VanDerWaalsContact CD1-CD2 3.5Å; Y237-F245 HydrophobicContact CD1-CE1 4.08Å; Y237-F245 AromaticContact CD1-CE2 3.91Å; Y237-F245 HydrophobicContact CD1-CE2 3.91Å; Y237-F245 AromaticContact CD1-CG 3.38Å; Y237-F245 HydrophobicContact CD1-CG 3.38Å; Y237-F245 HydrophobicContact CD1-CZ 4.18Å; Y237-F245 HydrophobicContact CE1-CB 4.07Å; Y237-F245 AromaticContact CE1-CD1 3.66Å; Y237-F245 HydrophobicContact CE1-CD1 3.66Å; Y237-F245 HydrophobicContact CE1-CD2 4.3Å; Y237-F245 HydrophobicContact CE1-CE1 4.14Å; Y237-F245 AromaticContact CE1-CG 3.74Å; Y237-F245 HydrophobicContact CE1-CG 3.74Å; Y237-F245 HydrophobicContact CG-CD2 4.24Å; Y237-F245 HydrophobicContact CG-CG 4.34Å; I240-F245 HydrophobicContact CB-CE2 3.76Å; I240-F245 HydrophobicContact CB-CZ 4.02Å; I240-F245 HydrophobicContact CD1-CE2 4.36Å; I240-F245 HydrophobicContact CD1-CZ 3.78Å; I240-F245 HydrophobicContact CG2-CE2 3.7Å; I240-F245 HydrophobicContact CG2-CZ 3.83Å; G241-F245 WeakPolarHBondContact O-CD2 3.42Å; N243-F245 VanDerWaalsContact C-N 3.32Å; F245-G247 PolarHBondContact O-N 3Å; F245-R248 HydrophobicContact CB-CB 3.79Å; F245-R248 HydrophobicContact CB-CG 4.24Å; F245-R248 PolarHBondContact O-N 3.37Å
246P80Confident91.5Very high120 Ų12039.9 Ų39.978%0.77921%0.212SC*.THydrogen-bonded Turntrans-53.3131-179.6-26.335000112.2R248P246-R248 PolarHBondContact O-N 3.14Å
247G78.9Confident91.5Very high55 Ų5540.4 Ų40.457%0.56722%0.216SC*.THydrogen-bonded Turntrans73.91.4-179.300000115.1F245F245-G247 PolarHBondContact O-N 3Å
248R85.7Confident91.6Very high33 Ų3339.9 Ų39.913%0.12521%0.214CC..  trans-117.5127.7179.6-53.6-57.9-175.6176.77.7110.5S28 E31 D32 Y237 F245 P246S28-R248 PolarHBondContact O-NH2 2.64Å; E31-R248 IonicContact OE2-NH1 3.86Å; E31-R248 PolarHBondContact OE2-NH1 2.97Å; D32-R248 IonicContact OD2-NH2 3.54Å; Y237-R248 HydrophobicContact CD1-CB 4.42Å; Y237-R248 HydrophobicContact CD2-CB 4.01Å; Y237-R248 HydrophobicContact CE1-CB 4.07Å; Y237-R248 HydrophobicContact CE1-CG 4.43Å; Y237-R248 HydrophobicContact CE2-CB 3.64Å; Y237-R248 HydrophobicContact CE2-CG 4.36Å; Y237-R248 HydrophobicContact CG-CB 4.4Å; F245-R248 HydrophobicContact CB-CB 3.79Å; F245-R248 HydrophobicContact CB-CG 4.24Å; F245-R248 PolarHBondContact O-N 3.37Å; P246-R248 PolarHBondContact O-N 3.14Å
249L88.4Confident91.7Very high22 Ų2236.6 Ų36.612%0.11520%0.198CC..  trans-134.8143.7-177.9-65176.6000111.3D125 V166 V251D125-L249 VanDerWaalsContact CA-CD1 3.41Å; D125-L249 HydrophobicContact CB-CD1 3.75Å; V166-L249 HydrophobicContact CB-CD2 3.54Å; V166-L249 HydrophobicContact CG2-CD2 3.25Å; L249-V251 HydrophobicContact CB-CG2 3.7Å; L249-V251 PolarHBondContact O-N 3.34Å
250P93.8Very high91.8Very high0 Ų036.1 Ų36.10%020%0.195CC..  trans-81.650178.436.2-37000111.9E234 Q238 R242 L253 D254E234-P250 HydrophobicContact CB-CB 3.93Å; E234-P250 WeakPolarHBondContact O-CB 3.46Å; E234-P250 VanDerWaalsContact OE2-CA 3.29Å; E234-P250 WeakPolarHBondContact OE2-CA 3.31Å; Q238-P250 HydrophobicContact CB-CB 4.26Å; Q238-P250 HydrophobicContact CB-CG 4.34Å; R242-P250 HydrophobicContact CG-CG 4.24Å; P250-L253 HydrophobicContact CB-CB 4.12Å; P250-L253 HydrophobicContact CB-CD2 4.22Å; P250-L253 PolarHBondContact O-N 2.76Å; P250-D254 WeakPolarHBondContact O-CB 3.24Å; P250-D254 PolarHBondContact O-N 3.32Å
251V93.5Very high91.9Very high6 Ų636.9 Ų36.94%0.03620%0.2CC..Hα-helixtrans-66.9-42.2-171.3-177.30000112.3L84 A99 E234 L249 L253 D254 L255L84-V251 HydrophobicContact CD1-CG1 3.71Å; A99-V251 HydrophobicContact CB-CB 4.4Å; A99-V251 HydrophobicContact CB-CG1 3.88Å; E234-V251 PolarHBondContact OE2-N 2.88Å; E234-V251 VanDerWaalsContact OE2-N 3.15Å; L249-V251 HydrophobicContact CB-CG2 3.7Å; L249-V251 PolarHBondContact O-N 3.34Å; V251-L253 VanDerWaalsContact C-N 3.34Å; V251-D254 WeakPolarHBondContact O-CB 3.39Å; V251-D254 PolarHBondContact O-N 3Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 3.31Å
252N94.4Very high92.1Very high13 Ų1337.1 Ų37.17%0.0720%0.196CC..Hα-helixtrans-68.5-39.1177.4-59.9-79.7000110.5A99 E234 D254 L255 F256A99-N252 VanDerWaalsContact CB-OD1 3.32Å; A99-N252 WeakPolarHBondContact CB-OD1 3.42Å; A99-N252 PolarHBondContact N-OD1 2.95Å; A99-N252 PolarHBondContact O-ND2 2.93Å; E234-N252 WeakPolarHBondContact OE1-CB 3.24Å; E234-N252 PolarHBondContact OE1-ND2 3.04Å; E234-N252 WeakPolarHBondContact OE2-CA 3.28Å; E234-N252 WeakPolarHBondContact OE2-CB 3.27Å; E234-N252 PolarHBondContact OE2-N 3.15Å; N252-D254 VanDerWaalsContact C-N 3.32Å; N252-D254 PolarHBondContact O-N 3.38Å; N252-L255 PolarHBondContact O-N 3.39Å; N252-F256 WeakPolarHBondContact O-CB 3.39Å; N252-F256 PolarHBondContact O-N 3.19Å
253L96.2Very high92.5Very high1 Ų134.9 Ų34.91%0.00519%0.188CC..Hα-helixtrans-61.6-41.1173.717863.1000111.5T230 E234 L235 Q238 P250 V251 F256 V257 I364 L368T230-L253 HydrophobicContact CG2-CB 3.86Å; T230-L253 HydrophobicContact CG2-CD1 4.12Å; E234-L253 HydrophobicContact CB-CB 3.89Å; E234-L253 HydrophobicContact CB-CD2 4.42Å; E234-L253 WeakPolarHBondContact O-CD2 3.17Å; E234-L253 PolarHBondContact OE2-N 3.26Å; L235-L253 HydrophobicContact CD1-CD1 4.27Å; L235-L253 HydrophobicContact CD1-CD2 4.35Å; L235-L253 HydrophobicContact CG-CD2 4.26Å; Q238-L253 HydrophobicContact CB-CD2 3.65Å; Q238-L253 HydrophobicContact CG-CD2 4.07Å; P250-L253 HydrophobicContact CB-CB 4.12Å; P250-L253 HydrophobicContact CB-CD2 4.22Å; P250-L253 PolarHBondContact O-N 2.76Å; V251-L253 VanDerWaalsContact C-N 3.34Å; L253-F256 PolarHBondContact O-N 2.96Å; L253-V257 HydrophobicContact CD1-CG2 3.93Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.05Å; L253-V257 WeakPolarHBondContact O-CG2 3.4Å; L253-V257 PolarHBondContact O-N 2.99Å; L253-I364 HydrophobicContact CD1-CG2 4.1Å; L253-L368 HydrophobicContact CD2-CD2 4.1Å
254D95.5Very high93Very high14 Ų1432 Ų328%0.07517%0.171CC..Hα-helixtrans-59.8-49.4176-77.7-8.8000111.2S170 R242 P250 V251 N252 F256 V257 R258S170-D254 WeakPolarHBondContact CB-OD2 3.38Å; S170-D254 PolarHBondContact OG-OD2 2.86Å; R242-D254 IonicContact CZ-OD1 3.29Å; R242-D254 IonicContact CZ-OD2 3.15Å; R242-D254 IonicContact NH1-OD1 3.34Å; R242-D254 IonicContact NH1-OD2 3.78Å; R242-D254 PolarHBondContact NH1-OD2 3.45Å; R242-D254 VanDerWaalsContact NH2-CG 3.35Å; R242-D254 IonicContact NH2-OD1 3.72Å; R242-D254 PolarHBondContact NH2-OD1 3.48Å; R242-D254 IonicContact NH2-OD2 3.57Å; R242-D254 PolarHBondContact NH2-OD2 2.87Å; P250-D254 WeakPolarHBondContact O-CB 3.24Å; P250-D254 PolarHBondContact O-N 3.32Å; V251-D254 WeakPolarHBondContact O-CB 3.39Å; V251-D254 PolarHBondContact O-N 3Å; N252-D254 VanDerWaalsContact C-N 3.32Å; N252-D254 PolarHBondContact O-N 3.38Å; D254-F256 VanDerWaalsContact C-N 3.26Å; D254-F256 PolarHBondContact O-N 3.41Å; D254-V257 PolarHBondContact O-N 3.43Å; D254-R258 WeakPolarHBondContact O-CB 3.39Å; D254-R258 PolarHBondContact O-N 2.86Å
255L95.1Very high93.4Very high2 Ų225.6 Ų25.61%0.0115%0.148CC..Hα-helixtrans-60-39176.3-65.9176000111.4L85 V90 L93 A99 L226 V251 N252 R259L85-L255 HydrophobicContact CD1-CD2 4.35Å; L85-L255 HydrophobicContact CD2-CD2 3.94Å; L85-L255 HydrophobicContact CG-CD2 4.15Å; V90-L255 HydrophobicContact CG1-CD2 4.11Å; V90-L255 HydrophobicContact CG2-CD2 3.88Å; L93-L255 HydrophobicContact CD1-CD1 4.35Å; A99-L255 HydrophobicContact CB-CD1 4.32Å; L226-L255 HydrophobicContact CD2-CB 4.49Å; V251-L255 VanDerWaalsContact O-CG 3.32Å; V251-L255 WeakPolarHBondContact O-CG 3.37Å; V251-L255 PolarHBondContact O-N 3.31Å; N252-L255 PolarHBondContact O-N 3.39Å; L255-R259 WeakPolarHBondContact O-CB 3.27Å; L255-R259 PolarHBondContact O-N 3.49Å
256F96.1Very high93.9Very high0 Ų023 Ų230%014%0.136CC..Hα-helixtrans-71-43.9-179.8-170.5-150.7000112.7H223 L226 F227 N252 L253 D254 R259 F260 F301 I361 I364H223-F256 HydrophobicContact CB-CE2 4.45Å; L226-F256 HydrophobicContact CB-CB 4.31Å; L226-F256 HydrophobicContact CB-CD2 3.74Å; L226-F256 HydrophobicContact CB-CE2 4.4Å; L226-F256 HydrophobicContact CB-CG 4.22Å; L226-F256 HydrophobicContact CD1-CD2 4.4Å; F227-F256 HydrophobicContact CB-CE1 3.78Å; F227-F256 HydrophobicContact CB-CE2 4.24Å; F227-F256 HydrophobicContact CB-CZ 3.64Å; F227-F256 HydrophobicContact CD2-CD1 4.43Å; F227-F256 AromaticContact CD2-CE1 3.58Å; F227-F256 HydrophobicContact CD2-CE1 3.58Å; F227-F256 HydrophobicContact CD2-CZ 4.15Å; F227-F256 HydrophobicContact CG-CE1 4.03Å; F227-F256 HydrophobicContact CG-CZ 4.15Å; N252-F256 WeakPolarHBondContact O-CB 3.39Å; N252-F256 PolarHBondContact O-N 3.19Å; L253-F256 PolarHBondContact O-N 2.96Å; D254-F256 VanDerWaalsContact C-N 3.26Å; D254-F256 PolarHBondContact O-N 3.41Å; F256-R259 PolarHBondContact O-N 3.2Å; F256-F260 PolarHBondContact O-N 3.22Å; F256-F260 VanDerWaalsContact O-N 3.14Å; F256-F301 HydrophobicContact CD2-CD2 4.28Å; F256-F301 AromaticContact CD2-CE2 3.53Å; F256-F301 HydrophobicContact CD2-CE2 3.53Å; F256-F301 AromaticContact CD2-CZ 3.65Å; F256-F301 HydrophobicContact CD2-CZ 3.65Å; F256-F301 HydrophobicContact CE1-CD2 4.3Å; F256-F301 HydrophobicContact CE1-CE2 4.24Å; F256-F301 HydrophobicContact CE2-CD1 4.22Å; F256-F301 AromaticContact CE2-CD2 3.41Å; F256-F301 HydrophobicContact CE2-CD2 3.41Å; F256-F301 VanDerWaalsContact CE2-CD2 3.41Å; F256-F301 HydrophobicContact CE2-CE1 4Å; F256-F301 AromaticContact CE2-CE2 3.1Å; F256-F301 HydrophobicContact CE2-CE2 3.1Å; F256-F301 AromaticContact CE2-CG 3.95Å; F256-F301 HydrophobicContact CE2-CG 3.95Å; F256-F301 AromaticContact CE2-CZ 3.41Å; F256-F301 HydrophobicContact CE2-CZ 3.41Å; F256-F301 VanDerWaalsContact CE2-CZ 3.41Å; F256-F301 HydrophobicContact CG-CE2 4.24Å; F256-F301 AromaticContact CZ-CD2 3.4Å; F256-F301 HydrophobicContact CZ-CD2 3.4Å; F256-F301 VanDerWaalsContact CZ-CD2 3.4Å; F256-F301 AromaticContact CZ-CE2 3.49Å; F256-F301 HydrophobicContact CZ-CE2 3.49Å; F256-F301 VanDerWaalsContact CZ-CE2 3.49Å; F256-F301 HydrophobicContact CZ-CG 4.09Å; F256-F301 HydrophobicContact CZ-CZ 4.25Å; F256-F301 WeakPolarHBondContact O-CZ 3.36Å; F256-I361 HydrophobicContact CE2-CG2 4.36Å; F256-I361 HydrophobicContact CZ-CG2 3.66Å; F256-I364 HydrophobicContact CD1-CD1 4.29Å; F256-I364 HydrophobicContact CD1-CG1 3.9Å; F256-I364 HydrophobicContact CE1-CD1 3.68Å; F256-I364 HydrophobicContact CE1-CG1 3.31Å; F256-I364 HydrophobicContact CZ-CG1 3.97Å
257V96.9Very high94.8Very high44 Ų4417.2 Ų17.227%0.26710%0.099SC..Hα-helixtrans-66.9-40.6174.8172.70000111L253 D254 R259 F260 N261 I364 L368L253-V257 HydrophobicContact CD1-CG2 3.93Å; L253-V257 HydrophobicContact CG-CG2 4.31Å; L253-V257 WeakPolarHBondContact O-CB 3.05Å; L253-V257 WeakPolarHBondContact O-CG2 3.4Å; L253-V257 PolarHBondContact O-N 2.99Å; D254-V257 PolarHBondContact O-N 3.43Å; V257-R259 VanDerWaalsContact C-N 3.3Å; V257-R259 PolarHBondContact O-N 3.04Å; V257-F260 WeakPolarHBondContact O-CB 3.44Å; V257-F260 PolarHBondContact O-N 3.36Å; V257-F260 VanDerWaalsContact O-N 3.16Å; V257-N261 PolarHBondContact O-N 3.48Å; V257-I364 HydrophobicContact CG2-CG2 4.16Å; V257-L368 HydrophobicContact CG2-CD1 4.05Å
258R95.7Very high95.8Very high12 Ų1214.6 Ų14.65%0.0457%0.072CC..Hα-helixtrans-54.5-49.6172.6-178.2-178.5-168.480.8-2110.1G88 M172 S173 H174 D254 F260 N261 E262G88-R258 PolarHBondContact O-NE 2.98Å; G88-R258 PolarHBondContact O-NH2 3.14Å; M172-R258 PolarHBondContact O-NH1 2.82Å; S173-R258 PolarHBondContact O-NH1 3.03Å; S173-R258 PolarHBondContact O-NH2 3.43Å; H174-R258 PolarHBondContact CE1-O 2.71Å; H174-R258 VanDerWaalsContact NE2-CG 3.28Å; H174-R258 WeakPolarHBondContact NE2-CG 3.44Å; H174-R258 PolarHBondContact NE2-O 2.59Å; H174-R258 VanDerWaalsContact NE2-O 3.1Å; D254-R258 WeakPolarHBondContact O-CB 3.39Å; D254-R258 PolarHBondContact O-N 2.86Å; R258-F260 VanDerWaalsContact C-N 3.28Å; R258-F260 PolarHBondContact O-N 3.13Å; R258-N261 PolarHBondContact O-N 3.12Å; R258-N261 VanDerWaalsContact O-N 3.16Å; R258-E262 PolarHBondContact O-N 3.49Å
259R96.8Very high96.4Very high3 Ų313 Ų131%0.0117%0.066CC..Hα-helixtrans-60.3-33.6178.7-17758176.2174.35.5113.7H223 L226 L255 F256 V257 E262 L263 F301 V424 F427H223-R259 PolarHBondContact NE2-NE 3.03Å; L226-R259 HydrophobicContact CD1-CB 3.75Å; L226-R259 HydrophobicContact CD1-CG 3.68Å; L255-R259 WeakPolarHBondContact O-CB 3.27Å; L255-R259 PolarHBondContact O-N 3.49Å; F256-R259 PolarHBondContact O-N 3.2Å; V257-R259 VanDerWaalsContact C-N 3.3Å; V257-R259 PolarHBondContact O-N 3.04Å; R259-E262 VanDerWaalsContact CD-OE2 3.23Å; R259-E262 WeakPolarHBondContact CD-OE2 3.35Å; R259-E262 IonicContact CZ-OE2 3.63Å; R259-E262 IonicContact NE-OE2 3.85Å; R259-E262 IonicContact NH1-OE2 2.68Å; R259-E262 PolarHBondContact NH1-OE2 2.91Å; R259-E262 PolarHBondContact O-N 3.39Å; R259-L263 PolarHBondContact O-N 2.8Å; R259-F301 HydrophobicContact CB-CZ 4.46Å; R259-F301 HydrophobicContact CG-CE1 4.44Å; R259-V424 PolarHBondContact NH1-O 2.99Å; R259-V424 VanDerWaalsContact NH2-CG1 3.33Å; R259-V424 PolarHBondContact NH2-O 2.83Å; R259-F427 VanDerWaalsContact NH2-CE2 3.29Å
260F98.1Very high96.8Very high5 Ų512.3 Ų12.32%0.0226%0.062CC..Hα-helixtrans-60.8-50.8175.7-175-93.7000110.5F256 V257 R258 L263 Q264 F301 A305 L308 F363 P365F256-F260 PolarHBondContact O-N 3.22Å; F256-F260 VanDerWaalsContact O-N 3.14Å; V257-F260 WeakPolarHBondContact O-CB 3.44Å; V257-F260 PolarHBondContact O-N 3.36Å; V257-F260 VanDerWaalsContact O-N 3.16Å; R258-F260 VanDerWaalsContact C-N 3.28Å; R258-F260 PolarHBondContact O-N 3.13Å; F260-L263 PolarHBondContact O-N 3.14Å; F260-Q264 PolarHBondContact O-N 2.82Å; F260-Q264 VanDerWaalsContact O-N 3.13Å; F260-F301 HydrophobicContact CB-CD2 4.49Å; F260-F301 HydrophobicContact CB-CE1 4.16Å; F260-F301 HydrophobicContact CB-CE2 3.55Å; F260-F301 HydrophobicContact CB-CZ 3.36Å; F260-F301 HydrophobicContact CD2-CD1 4.19Å; F260-F301 AromaticContact CD2-CD2 3.69Å; F260-F301 HydrophobicContact CD2-CD2 3.69Å; F260-F301 HydrophobicContact CD2-CE1 4.08Å; F260-F301 AromaticContact CD2-CE2 3.59Å; F260-F301 HydrophobicContact CD2-CE2 3.59Å; F260-F301 HydrophobicContact CD2-CG 4Å; F260-F301 AromaticContact CD2-CZ 3.81Å; F260-F301 HydrophobicContact CD2-CZ 3.81Å; F260-F301 WeakPolarHBondContact CE2-O 3.29Å; F260-F301 HydrophobicContact CG-CE2 4.02Å; F260-F301 HydrophobicContact CG-CZ 4.09Å; F260-F301 VanDerWaalsContact N-CZ 3.32Å; F260-A305 HydrophobicContact CD2-CB 3.88Å; F260-A305 HydrophobicContact CE1-CB 4.46Å; F260-A305 HydrophobicContact CE2-CB 3.61Å; F260-A305 HydrophobicContact CG-CB 4.42Å; F260-A305 HydrophobicContact CZ-CB 3.89Å; F260-L308 HydrophobicContact CE1-CD1 3.99Å; F260-L308 HydrophobicContact CZ-CD1 3.87Å; F260-F363 HydrophobicContact CE1-CE2 4.1Å; F260-F363 AromaticContact CE2-CD2 3.88Å; F260-F363 HydrophobicContact CE2-CD2 3.88Å; F260-F363 AromaticContact CE2-CE2 3.89Å; F260-F363 HydrophobicContact CE2-CE2 3.89Å; F260-F363 AromaticContact CZ-CD2 3.91Å; F260-F363 HydrophobicContact CZ-CD2 3.91Å; F260-F363 AromaticContact CZ-CE2 3.42Å; F260-F363 HydrophobicContact CZ-CE2 3.42Å; F260-F363 VanDerWaalsContact CZ-CE2 3.42Å; F260-P365 HydrophobicContact CD1-CG 4.29Å; F260-P365 HydrophobicContact CE1-CG 4.26Å
261N97.3Very high97Very high57 Ų5712.3 Ų12.331%0.3056%0.062SC..Hα-helixtrans-65.5-40.5179-67.3-28.3000111V257 R258 L263 Q264 F265V257-N261 PolarHBondContact O-N 3.48Å; R258-N261 PolarHBondContact O-N 3.12Å; R258-N261 VanDerWaalsContact O-N 3.16Å; N261-L263 VanDerWaalsContact C-N 3.33Å; N261-L263 PolarHBondContact O-N 2.81Å; N261-Q264 WeakPolarHBondContact O-CB 3.33Å; N261-Q264 PolarHBondContact O-N 2.79Å; N261-F265 HydrophobicContact CB-CD2 4.29Å; N261-F265 HydrophobicContact CB-CE2 3.9Å; N261-F265 WeakPolarHBondContact O-CB 3.32Å; N261-F265 WeakPolarHBondContact O-CD2 3.34Å; N261-F265 WeakPolarHBondContact O-CG 3.35Å; N261-F265 PolarHBondContact O-N 3.36Å
262E97.3Very high97.3Very high22 Ų2212.2 Ų12.210%0.1036%0.062CC..Hα-helixtrans-55.9-47.6175.5-163.4177-137.100111.7H174 R258 R259 Q264 F265 W266 F427 V429H174-E262 VanDerWaalsContact NE2-CB 3.33Å; H174-E262 WeakPolarHBondContact NE2-CB 3.38Å; R258-E262 PolarHBondContact O-N 3.49Å; R259-E262 VanDerWaalsContact CD-OE2 3.23Å; R259-E262 WeakPolarHBondContact CD-OE2 3.35Å; R259-E262 IonicContact CZ-OE2 3.63Å; R259-E262 IonicContact NE-OE2 3.85Å; R259-E262 IonicContact NH1-OE2 2.68Å; R259-E262 PolarHBondContact NH1-OE2 2.91Å; R259-E262 PolarHBondContact O-N 3.39Å; E262-Q264 PolarHBondContact O-N 3.28Å; E262-F265 PolarHBondContact O-N 3.16Å; E262-W266 VanDerWaalsContact O-CB 3.3Å; E262-W266 WeakPolarHBondContact O-CB 3.49Å; E262-W266 PolarHBondContact O-N 3.03Å; E262-F427 HydrophobicContact CG-CB 4.24Å; E262-F427 HydrophobicContact CG-CD2 4.29Å; E262-V429 HydrophobicContact CG-CG1 4.07Å
263L98.2Very high97.4Very high0 Ų012.8 Ų12.80%07%0.065CC..Hα-helixtrans-64.2-42.3179.3176.258.3000111.6L219 R259 F260 N261 W266 V267 A305 I306 F427L219-L263 HydrophobicContact CD1-CD1 4.42Å; L219-L263 HydrophobicContact CD2-CD1 4.04Å; L219-L263 HydrophobicContact CD2-CD2 4.31Å; R259-L263 PolarHBondContact O-N 2.8Å; F260-L263 PolarHBondContact O-N 3.14Å; N261-L263 VanDerWaalsContact C-N 3.33Å; N261-L263 PolarHBondContact O-N 2.81Å; L263-W266 HydrophobicContact CD1-CE3 3.6Å; L263-W266 HydrophobicContact CD1-CZ3 3.89Å; L263-W266 PolarHBondContact O-N 2.71Å; L263-V267 WeakPolarHBondContact O-CG2 3.23Å; L263-V267 PolarHBondContact O-N 3.41Å; L263-V267 VanDerWaalsContact O-N 3.17Å; L263-A305 HydrophobicContact CB-CB 4.01Å; L263-A305 HydrophobicContact CD2-CB 3.61Å; L263-A305 HydrophobicContact CG-CB 3.74Å; L263-I306 HydrophobicContact CD1-CG1 4.13Å; L263-I306 HydrophobicContact CD2-CG1 4.25Å; L263-I306 HydrophobicContact CG-CG1 4.17Å; L263-F427 HydrophobicContact CD1-CE2 3.97Å; L263-F427 HydrophobicContact CD1-CZ 4.42Å
264Q98.5Very high97.4Very high36 Ų3613.9 Ų13.917%0.1687%0.072CC..Hα-helixtrans-58.8-48.8174.3-177.8-176.8-15.500111.2F260 N261 E262 V267 I268 L308F260-Q264 PolarHBondContact O-N 2.82Å; F260-Q264 VanDerWaalsContact O-N 3.13Å; N261-Q264 WeakPolarHBondContact O-CB 3.33Å; N261-Q264 PolarHBondContact O-N 2.79Å; E262-Q264 PolarHBondContact O-N 3.28Å; Q264-V267 PolarHBondContact O-N 2.92Å; Q264-I268 HydrophobicContact CG-CD1 4.24Å; Q264-I268 WeakPolarHBondContact O-CD1 3.33Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.08Å; Q264-L308 HydrophobicContact CG-CB 4.33Å
265F98.4Very high97.4Very high36 Ų3618.7 Ų18.716%0.15810%0.102CC..Hα-helixtrans-66.7-35.6-180-66.5-39.5000112.8H174 N261 E262 I268 T269 V429 I430 D431 F436H174-F265 AromaticContact ND1-CD2 3.91Å; H174-F265 AromaticContact ND1-CE2 3.86Å; N261-F265 HydrophobicContact CB-CD2 4.29Å; N261-F265 HydrophobicContact CB-CE2 3.9Å; N261-F265 WeakPolarHBondContact O-CB 3.32Å; N261-F265 WeakPolarHBondContact O-CD2 3.34Å; N261-F265 WeakPolarHBondContact O-CG 3.35Å; N261-F265 PolarHBondContact O-N 3.36Å; E262-F265 PolarHBondContact O-N 3.16Å; F265-I268 HydrophobicContact CD1-CD1 4.41Å; F265-I268 PolarHBondContact O-N 3.34Å; F265-T269 WeakPolarHBondContact O-CB 3.41Å; F265-T269 PolarHBondContact O-N 3.32Å; F265-T269 PolarHBondContact O-OG1 2.87Å; F265-V429 HydrophobicContact CB-CB 3.82Å; F265-V429 HydrophobicContact CB-CG1 4.21Å; F265-V429 HydrophobicContact CB-CG2 4.13Å; F265-I430 WeakPolarHBondContact CB-O 3.42Å; F265-D431 HydrophobicContact CD2-CB 3.72Å; F265-D431 HydrophobicContact CE1-CB 4.44Å; F265-D431 HydrophobicContact CE2-CB 3.64Å; F265-D431 HydrophobicContact CG-CB 4.17Å; F265-D431 HydrophobicContact CZ-CB 4.03Å; F265-F436 AromaticContact CD1-CE2 3.87Å; F265-F436 HydrophobicContact CD1-CE2 3.87Å; F265-F436 HydrophobicContact CD1-CZ 4.25Å; F265-F436 HydrophobicContact CE1-CE2 4.42Å
266W97.9Very high97.5Very high1 Ų120.9 Ų20.90%0.00412%0.121CC..Hα-helixtrans-61.1-46.1175.5173.166.2000111.6L207 E262 L263 I268 T269 E270 F287 L423 F427 V429L207-W266 HydrophobicContact CD1-CH2 4.1Å; L207-W266 HydrophobicContact CD1-CZ2 3.99Å; L207-W266 HydrophobicContact CD2-CZ2 4.11Å; E262-W266 VanDerWaalsContact O-CB 3.3Å; E262-W266 WeakPolarHBondContact O-CB 3.49Å; E262-W266 PolarHBondContact O-N 3.03Å; L263-W266 HydrophobicContact CD1-CE3 3.6Å; L263-W266 HydrophobicContact CD1-CZ3 3.89Å; L263-W266 PolarHBondContact O-N 2.71Å; W266-I268 VanDerWaalsContact C-N 3.32Å; W266-I268 PolarHBondContact O-N 2.81Å; W266-T269 PolarHBondContact O-N 3.47Å; W266-E270 HydrophobicContact CD2-CG 4.43Å; W266-E270 HydrophobicContact CG-CG 4.32Å; W266-E270 VanDerWaalsContact NE1-CG 3.27Å; W266-E270 PolarHBondContact NE1-OE1 2.77Å; W266-E270 WeakPolarHBondContact O-CG 3.09Å; W266-E270 PolarHBondContact O-N 2.67Å; W266-F287 AromaticContact CE3-CE1 3.84Å; W266-F287 HydrophobicContact CE3-CE1 3.84Å; W266-F287 HydrophobicContact CE3-CZ 4.29Å; W266-F287 AromaticContact CH2-CE1 3.61Å; W266-F287 HydrophobicContact CH2-CE1 3.61Å; W266-F287 HydrophobicContact CH2-CZ 4.17Å; W266-F287 HydrophobicContact CZ2-CE1 4.25Å; W266-F287 HydrophobicContact CZ2-CZ 4.36Å; W266-F287 HydrophobicContact CZ3-CD1 4.33Å; W266-F287 AromaticContact CZ3-CE1 3.39Å; W266-F287 HydrophobicContact CZ3-CE1 3.39Å; W266-F287 HydrophobicContact CZ3-CZ 4.15Å; W266-L423 HydrophobicContact CZ2-CD1 4.4Å; W266-L423 HydrophobicContact CZ2-CD2 4.43Å; W266-F427 HydrophobicContact CB-CB 4.34Å; W266-F427 HydrophobicContact CB-CD2 3.94Å; W266-F427 HydrophobicContact CB-CE2 4.39Å; W266-F427 HydrophobicContact CB-CG 4.07Å; W266-F427 AromaticContact CD1-CD1 3.65Å; W266-F427 AromaticContact CD1-CG 3.82Å; W266-F427 AromaticContact CD2-CD1 3.89Å; W266-F427 HydrophobicContact CD2-CD1 3.89Å; W266-F427 HydrophobicContact CD2-CD2 4.21Å; W266-F427 AromaticContact CD2-CE1 3.64Å; W266-F427 HydrophobicContact CD2-CE1 3.64Å; W266-F427 AromaticContact CD2-CE2 3.99Å; W266-F427 HydrophobicContact CD2-CE2 3.99Å; W266-F427 HydrophobicContact CD2-CG 4.18Å; W266-F427 AromaticContact CD2-CZ 3.7Å; W266-F427 HydrophobicContact CD2-CZ 3.7Å; W266-F427 AromaticContact CE2-CD1 3.74Å; W266-F427 AromaticContact CE2-CE1 3.44Å; W266-F427 VanDerWaalsContact CE2-CE1 3.44Å; W266-F427 AromaticContact CE2-CZ 3.94Å; W266-F427 HydrophobicContact CE3-CE1 4.08Å; W266-F427 AromaticContact CE3-CE2 3.98Å; W266-F427 HydrophobicContact CE3-CE2 3.98Å; W266-F427 AromaticContact CE3-CZ 3.7Å; W266-F427 HydrophobicContact CE3-CZ 3.7Å; W266-F427 HydrophobicContact CG-CB 4.26Å; W266-F427 AromaticContact CG-CD1 3.82Å; W266-F427 HydrophobicContact CG-CD1 3.82Å; W266-F427 AromaticContact CG-CD2 3.93Å; W266-F427 HydrophobicContact CG-CD2 3.93Å; W266-F427 HydrophobicContact CG-CE1 4.08Å; W266-F427 HydrophobicContact CG-CE2 4.19Å; W266-F427 AromaticContact CG-CG 3.75Å; W266-F427 HydrophobicContact CG-CG 3.75Å; W266-F427 HydrophobicContact CG-CZ 4.26Å; W266-F427 HydrophobicContact CH2-CE1 4.05Å; W266-F427 HydrophobicContact CH2-CZ 4.05Å; W266-F427 HydrophobicContact CZ2-CD1 4.39Å; W266-F427 AromaticContact CZ2-CE1 3.7Å; W266-F427 HydrophobicContact CZ2-CE1 3.7Å; W266-F427 HydrophobicContact CZ2-CZ 4.15Å; W266-F427 HydrophobicContact CZ3-CE1 4.21Å; W266-F427 HydrophobicContact CZ3-CE2 4.46Å; W266-F427 AromaticContact CZ3-CZ 3.8Å; W266-F427 HydrophobicContact CZ3-CZ 3.8Å; W266-F427 AromaticContact NE1-CD1 3.6Å; W266-F427 AromaticContact NE1-CE1 3.81Å; W266-V429 HydrophobicContact CB-CG1 3.79Å
267V98.6Very high97.5Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-56.3-47.8175.9172.60000111.2L263 Q264 I271 F287 I306 L310L263-V267 WeakPolarHBondContact O-CG2 3.23Å; L263-V267 PolarHBondContact O-N 3.41Å; L263-V267 VanDerWaalsContact O-N 3.17Å; Q264-V267 PolarHBondContact O-N 2.92Å; V267-I271 HydrophobicContact CG1-CD1 3.93Å; V267-I271 WeakPolarHBondContact O-CD1 3.5Å; V267-I271 VanDerWaalsContact O-CG1 3.25Å; V267-I271 WeakPolarHBondContact O-CG1 3.44Å; V267-I271 PolarHBondContact O-N 3.04Å; V267-F287 HydrophobicContact CB-CE1 4.41Å; V267-F287 HydrophobicContact CB-CZ 4.39Å; V267-F287 HydrophobicContact CG1-CD1 4.31Å; V267-F287 HydrophobicContact CG1-CD2 3.94Å; V267-F287 HydrophobicContact CG1-CE2 4.17Å; V267-F287 HydrophobicContact CG1-CG 4.01Å; V267-F287 HydrophobicContact CG1-CZ 4.49Å; V267-F287 HydrophobicContact CG2-CD1 3.75Å; V267-F287 HydrophobicContact CG2-CE1 3.72Å; V267-F287 HydrophobicContact CG2-CG 4.28Å; V267-F287 HydrophobicContact CG2-CZ 4.17Å; V267-I306 HydrophobicContact CG2-CB 4.29Å; V267-I306 HydrophobicContact CG2-CG1 3.98Å; V267-I306 HydrophobicContact CG2-CG2 4.13Å; V267-L310 HydrophobicContact CG1-CD2 3.94Å; V267-L310 HydrophobicContact CG1-CG 4.04Å
268I98.7Very high97.5Very high0 Ų024.6 Ų24.60%015%0.145CC..Hα-helixtrans-64.9-45.8-179.9-57.9160.2000110.4Q264 F265 W266 I271 L272 G309 N312 I315 F436Q264-I268 HydrophobicContact CG-CD1 4.24Å; Q264-I268 WeakPolarHBondContact O-CD1 3.33Å; Q264-I268 WeakPolarHBondContact O-CG1 3.42Å; Q264-I268 PolarHBondContact O-N 3.08Å; F265-I268 HydrophobicContact CD1-CD1 4.41Å; F265-I268 PolarHBondContact O-N 3.34Å; W266-I268 VanDerWaalsContact C-N 3.32Å; W266-I268 PolarHBondContact O-N 2.81Å; I268-I271 PolarHBondContact O-N 3.05Å; I268-L272 HydrophobicContact CG2-CD1 3.65Å; I268-L272 HydrophobicContact CG2-CG 4.31Å; I268-L272 WeakPolarHBondContact O-CB 3.39Å; I268-L272 WeakPolarHBondContact O-CG 3.37Å; I268-L272 PolarHBondContact O-N 3.03Å; I268-G309 VanDerWaalsContact CG1-O 3.28Å; I268-G309 WeakPolarHBondContact CG1-O 3.32Å; I268-N312 HydrophobicContact CD1-CB 3.66Å; I268-N312 WeakPolarHBondContact CD1-ND2 3.46Å; I268-N312 HydrophobicContact CG1-CB 3.91Å; I268-I315 HydrophobicContact CB-CD1 4.46Å; I268-I315 HydrophobicContact CB-CG1 4.36Å; I268-I315 HydrophobicContact CG1-CG1 4.19Å; I268-I315 HydrophobicContact CG2-CD1 3.91Å; I268-I315 HydrophobicContact CG2-CG1 4.03Å; I268-F436 HydrophobicContact CB-CE1 3.99Å; I268-F436 HydrophobicContact CB-CE2 4.07Å; I268-F436 HydrophobicContact CB-CZ 3.7Å; I268-F436 HydrophobicContact CD1-CD2 4.44Å; I268-F436 HydrophobicContact CD1-CE2 3.9Å; I268-F436 HydrophobicContact CD1-CZ 4.3Å; I268-F436 HydrophobicContact CG2-CB 4.36Å; I268-F436 HydrophobicContact CG2-CD1 3.57Å; I268-F436 HydrophobicContact CG2-CD2 3.75Å; I268-F436 HydrophobicContact CG2-CE1 3.45Å; I268-F436 VanDerWaalsContact CG2-CE1 3.45Å; I268-F436 HydrophobicContact CG2-CE2 3.71Å; I268-F436 HydrophobicContact CG2-CG 3.67Å; I268-F436 HydrophobicContact CG2-CZ 3.52Å
269T98.3Very high97.5Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-59.9-52.4-178.1-61.20000111P198 F265 W266 I271 L272 L273 I430P198-T269 HydrophobicContact CG-CG2 3.79Å; F265-T269 WeakPolarHBondContact O-CB 3.41Å; F265-T269 PolarHBondContact O-N 3.32Å; F265-T269 PolarHBondContact O-OG1 2.87Å; W266-T269 PolarHBondContact O-N 3.47Å; T269-I271 VanDerWaalsContact C-N 3.33Å; T269-I271 PolarHBondContact O-N 3.32Å; T269-L272 PolarHBondContact O-N 3.38Å; T269-L273 HydrophobicContact CG2-CD1 3.56Å; T269-L273 HydrophobicContact CG2-CG 4.24Å; T269-L273 WeakPolarHBondContact O-CB 3.37Å; T269-L273 VanDerWaalsContact O-CG 3.23Å; T269-L273 WeakPolarHBondContact O-CG 3.38Å; T269-L273 PolarHBondContact O-N 3.26Å; T269-I430 HydrophobicContact CG2-CD1 4.18Å; T269-I430 HydrophobicContact CG2-CG1 4.06Å; T269-I430 PolarHBondContact OG1-N 3.23Å
270E97.9Very high97.6Very high7 Ų729.1 Ų29.13%0.03317%0.165CC..Hα-helixtrans-62.2-39.4-178.6-68.9-63158.800112.3S201 L207 W266 C274 L283 F287S201-E270 VanDerWaalsContact CB-OE2 3.26Å; S201-E270 WeakPolarHBondContact CB-OE2 3.27Å; S201-E270 PolarHBondContact OG-OE2 3.33Å; L207-E270 HydrophobicContact CD2-CB 4.19Å; L207-E270 HydrophobicContact CD2-CG 4.01Å; W266-E270 HydrophobicContact CD2-CG 4.43Å; W266-E270 HydrophobicContact CG-CG 4.32Å; W266-E270 VanDerWaalsContact NE1-CG 3.27Å; W266-E270 PolarHBondContact NE1-OE1 2.77Å; W266-E270 WeakPolarHBondContact O-CG 3.09Å; W266-E270 PolarHBondContact O-N 2.67Å; E270-C274 PolarHBondContact O-N 3.05Å; E270-L283 HydrophobicContact CB-CD2 4.01Å; E270-L283 WeakPolarHBondContact O-CD2 3.12Å; E270-F287 HydrophobicContact CB-CE2 4.27Å; E270-F287 HydrophobicContact CB-CZ 4.14Å
271I98.3Very high97.6Very high0 Ų029 Ų290%016%0.164CC..Hα-helixtrans-66.4-43.8177.6-65.3166.8000111V267 I268 T269 C274 R280 L283 V284 F287 L310 I315 L318V267-I271 HydrophobicContact CG1-CD1 3.93Å; V267-I271 WeakPolarHBondContact O-CD1 3.5Å; V267-I271 VanDerWaalsContact O-CG1 3.25Å; V267-I271 WeakPolarHBondContact O-CG1 3.44Å; V267-I271 PolarHBondContact O-N 3.04Å; I268-I271 PolarHBondContact O-N 3.05Å; T269-I271 VanDerWaalsContact C-N 3.33Å; T269-I271 PolarHBondContact O-N 3.32Å; I271-C274 PolarHBondContact O-N 3.42Å; I271-R280 HydrophobicContact CG2-CG 3.74Å; I271-R280 WeakPolarHBondContact O-CD 3.27Å; I271-R280 WeakPolarHBondContact O-CG 3.16Å; I271-L283 HydrophobicContact CG1-CD2 4.14Å; I271-L283 HydrophobicContact CG1-CG 4.18Å; I271-V284 HydrophobicContact CD1-CG2 4.05Å; I271-V284 HydrophobicContact CG1-CG2 4.39Å; I271-V284 HydrophobicContact CG2-CG2 4.29Å; I271-F287 HydrophobicContact CD1-CD2 3.87Å; I271-F287 HydrophobicContact CD1-CE2 4.15Å; I271-F287 HydrophobicContact CG1-CD2 3.98Å; I271-F287 HydrophobicContact CG1-CE2 3.86Å; I271-L310 HydrophobicContact CD1-CD2 3.5Å; I271-I315 HydrophobicContact CB-CD1 3.84Å; I271-I315 HydrophobicContact CD1-CD1 4.35Å; I271-I315 HydrophobicContact CD1-CG1 4.48Å; I271-I315 HydrophobicContact CD1-CG2 4.04Å; I271-I315 HydrophobicContact CG2-CD1 3.72Å; I271-I315 HydrophobicContact CG2-CG2 4.43Å; I271-L318 HydrophobicContact CG2-CD1 4.13Å
272L98.3Very high97.6Very high4 Ų431 Ų312%0.02117%0.172CC..Hα-helixtrans-76.2-22.2-177.5-67.5177.5000113.7I268 T269 C274 A314 I315 L318 F436 M439 L443I268-L272 HydrophobicContact CG2-CD1 3.65Å; I268-L272 HydrophobicContact CG2-CG 4.31Å; I268-L272 WeakPolarHBondContact O-CB 3.39Å; I268-L272 WeakPolarHBondContact O-CG 3.37Å; I268-L272 PolarHBondContact O-N 3.03Å; T269-L272 PolarHBondContact O-N 3.38Å; L272-C274 VanDerWaalsContact C-N 3.32Å; L272-A314 HydrophobicContact CD1-CB 4.04Å; L272-I315 HydrophobicContact CD1-CD1 4.27Å; L272-I315 HydrophobicContact CD2-CD1 3.88Å; L272-I315 HydrophobicContact CG-CD1 3.71Å; L272-L318 HydrophobicContact CD2-CD1 4.14Å; L272-F436 HydrophobicContact CD1-CB 3.84Å; L272-F436 HydrophobicContact CD1-CD1 3.52Å; L272-F436 HydrophobicContact CD1-CE1 4.31Å; L272-F436 HydrophobicContact CD1-CG 4.01Å; L272-M439 HydrophobicContact CB-CB 4.2Å; L272-M439 HydrophobicContact CB-CE 3.85Å; L272-M439 HydrophobicContact CB-SD 4.45Å; L272-M439 HydrophobicContact CD1-CB 4.29Å; L272-L443 HydrophobicContact CD2-CD1 3.96Å; L272-L443 WeakPolarHBondContact O-CD1 3.48Å
273L97.4Very high97.6Very high25 Ų2530.8 Ų30.813%0.13117%0.171CC..Hα-helixtrans-78.8-17.1171.2-68.9173.7000112.4P198 S199 T269 T275 M439P198-L273 HydrophobicContact CB-CD1 4.36Å; P198-L273 HydrophobicContact CG-CD1 4.13Å; S199-L273 VanDerWaalsContact O-CD2 3.28Å; S199-L273 WeakPolarHBondContact O-CD2 3.39Å; T269-L273 HydrophobicContact CG2-CD1 3.56Å; T269-L273 HydrophobicContact CG2-CG 4.24Å; T269-L273 WeakPolarHBondContact O-CB 3.37Å; T269-L273 VanDerWaalsContact O-CG 3.23Å; T269-L273 WeakPolarHBondContact O-CG 3.38Å; T269-L273 PolarHBondContact O-N 3.26Å; L273-T275 PolarHBondContact O-N 3.03Å; L273-M439 HydrophobicContact CD2-CE 3.61Å; L273-M439 HydrophobicContact CG-CE 4.12Å
274C96.6Very high97.6Very high24 Ų2430.8 Ų30.816%0.16217%0.171CC..  trans-82.294.5179.5-166.50000111.9E270 I271 L272 K279 R280 L283E270-C274 PolarHBondContact O-N 3.05Å; I271-C274 PolarHBondContact O-N 3.42Å; L272-C274 VanDerWaalsContact C-N 3.32Å; C274-K279 VanDerWaalsContact SG-CB 3.59Å; C274-R280 HydrophobicContact CB-CB 4.03Å; C274-R280 HydrophobicContact CB-CG 4.19Å; C274-R280 WeakPolarHBondContact O-CD 3.43Å; C274-R280 PolarHBondContact O-NH1 2.9Å; C274-R280 PolarHBondContact SG-N 2.79Å; C274-L283 HydrophobicContact CB-CD2 4.25Å
275T95.4Very high97.6Very high115 Ų11531.6 Ų31.671%0.70617%0.174SC*.  trans-68-39.2-176.756.90000113.7L273 L277 R280 L443L273-T275 PolarHBondContact O-N 3.03Å; T275-L277 PolarHBondContact O-N 3.33Å; T275-R280 PolarHBondContact O-NH1 2.9Å; T275-L443 HydrophobicContact CG2-CD2 4.41Å
276A96Very high97.6Very high48 Ų4830.7 Ų30.740%0.39717%0.17SC..SBendtrans-71.8112.7-178.100000112S278 K279 R280A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 2.82Å; A276-K279 HydrophobicContact CB-CB 4.16Å; A276-K279 HydrophobicContact CB-CD 4.31Å; A276-K279 HydrophobicContact CB-CG 4.25Å; A276-K279 PolarHBondContact O-N 2.99Å; A276-R280 PolarHBondContact O-N 3.31Å
277L97.3Very high97.6Very high44 Ų4430.6 Ų30.623%0.2317%0.17CC..Hα-helixtrans-49.9-46.7-174.8175.561.6000114.2T275 R280 A281 Q320 K324T275-L277 PolarHBondContact O-N 3.33Å; L277-R280 PolarHBondContact O-N 2.86Å; L277-A281 PolarHBondContact O-N 2.73Å; L277-Q320 HydrophobicContact CD1-CB 4.09Å; L277-Q320 HydrophobicContact CD2-CB 4.38Å; L277-K324 HydrophobicContact CD2-CD 4.18Å; L277-K324 HydrophobicContact CG-CD 3.99Å
278S96.8Very high97.6Very high78 Ų7830.6 Ų30.655%0.54517%0.17SC..Hα-helixtrans-66.4-39.3-179.4-60.50000112.4A276 H282 K324A276-S278 VanDerWaalsContact C-N 3.34Å; A276-S278 PolarHBondContact O-N 2.82Å; S278-H282 PolarHBondContact O-N 3.21Å; S278-H282 VanDerWaalsContact O-N 3.13Å; S278-K324 PolarHBondContact OG-NZ 3.26Å
279K96.1Very high97.6Very high104 Ų10434.9 Ų34.945%0.45219%0.188SC..Hα-helixtrans-68-42.5175.3-72.3-169.7163.8-1420110.9E208 C274 A276 A281 H282 L283E208-K279 IonicContact OE1-NZ 2.8Å; E208-K279 PolarHBondContact OE1-NZ 3.34Å; E208-K279 IonicContact OE2-NZ 3.25Å; E208-K279 PolarHBondContact OE2-NZ 3.18Å; C274-K279 VanDerWaalsContact SG-CB 3.59Å; A276-K279 HydrophobicContact CB-CB 4.16Å; A276-K279 HydrophobicContact CB-CD 4.31Å; A276-K279 HydrophobicContact CB-CG 4.25Å; A276-K279 PolarHBondContact O-N 2.99Å; K279-A281 VanDerWaalsContact C-N 3.35Å; K279-A281 PolarHBondContact O-N 3.15Å; K279-H282 CarbonylContact O-C 3.6Å; K279-H282 WeakPolarHBondContact O-CA 3.17Å; K279-H282 WeakPolarHBondContact O-CB 2.88Å; K279-H282 PolarHBondContact O-N 3.02Å; K279-L283 PolarHBondContact O-N 3.28Å
280R97.6Very high97.6Very high5 Ų534.9 Ų34.92%0.01919%0.188CC..Hα-helixtrans-59.9-43.3176.9-169.1171.556.3-106.88.3112.1I271 C274 T275 A276 L277 H282 L283 V284 T321 E444I271-R280 HydrophobicContact CG2-CG 3.74Å; I271-R280 WeakPolarHBondContact O-CD 3.27Å; I271-R280 WeakPolarHBondContact O-CG 3.16Å; C274-R280 HydrophobicContact CB-CB 4.03Å; C274-R280 HydrophobicContact CB-CG 4.19Å; C274-R280 WeakPolarHBondContact O-CD 3.43Å; C274-R280 PolarHBondContact O-NH1 2.9Å; C274-R280 PolarHBondContact SG-N 2.79Å; T275-R280 PolarHBondContact O-NH1 2.9Å; A276-R280 PolarHBondContact O-N 3.31Å; L277-R280 PolarHBondContact O-N 2.86Å; R280-H282 VanDerWaalsContact C-N 3.32Å; R280-H282 PolarHBondContact O-N 2.74Å; R280-L283 WeakPolarHBondContact O-CB 3.35Å; R280-L283 PolarHBondContact O-N 2.99Å; R280-V284 PolarHBondContact O-N 3.04Å; R280-T321 HydrophobicContact CB-CG2 4.4Å; R280-T321 HydrophobicContact CG-CG2 3.96Å; R280-T321 PolarHBondContact NE-OG1 2.86Å; R280-T321 PolarHBondContact NH2-OG1 3.08Å; R280-E444 IonicContact CZ-OE1 3.89Å; R280-E444 IonicContact NE-OE1 3.93Å; R280-E444 IonicContact NH2-OE1 2.98Å; R280-E444 PolarHBondContact NH2-OE1 2.89Å
281A98.3Very high97.7Very high2 Ų234.5 Ų34.52%0.01719%0.187CC..Hα-helixtrans-65.9-33.3174.400000112.9L277 K279 K285 T321 K324 V325L277-A281 PolarHBondContact O-N 2.73Å; K279-A281 VanDerWaalsContact C-N 3.35Å; K279-A281 PolarHBondContact O-N 3.15Å; A281-K285 WeakPolarHBondContact O-CG 3.45Å; A281-K285 PolarHBondContact O-N 3.21Å; A281-T321 HydrophobicContact CB-CG2 4.13Å; A281-K324 HydrophobicContact CB-CB 3.58Å; A281-V325 HydrophobicContact CB-CG2 4.29Å
282H97.1Very high97.7Very high99 Ų9936.8 Ų36.846%0.45820%0.199SC..Hα-helixtrans-65.4-41.1171.3-176.789.8000111.4S278 K279 R280 K285 K286S278-H282 PolarHBondContact O-N 3.21Å; S278-H282 VanDerWaalsContact O-N 3.13Å; K279-H282 CarbonylContact O-C 3.6Å; K279-H282 WeakPolarHBondContact O-CA 3.17Å; K279-H282 WeakPolarHBondContact O-CB 2.88Å; K279-H282 PolarHBondContact O-N 3.02Å; R280-H282 VanDerWaalsContact C-N 3.32Å; R280-H282 PolarHBondContact O-N 2.74Å; H282-K285 CarbonylContact O-C 3.6Å; H282-K285 WeakPolarHBondContact O-CB 3.37Å; H282-K285 PolarHBondContact O-N 3.32Å; H282-K285 VanDerWaalsContact O-N 3.16Å; H282-K286 PolarHBondContact O-N 3.43Å
283L97.2Very high97.7Very high19 Ų1939.9 Ų39.910%0.09921%0.213CC..Hα-helixtrans-64.3-41.3178.7-175.558000112.2L207 E270 I271 C274 K279 R280 K285 K286 F287L207-L283 HydrophobicContact CD2-CD1 3.48Å; L207-L283 VanDerWaalsContact CD2-CD1 3.48Å; L207-L283 HydrophobicContact CG-CD1 3.86Å; E270-L283 HydrophobicContact CB-CD2 4.01Å; E270-L283 WeakPolarHBondContact O-CD2 3.12Å; I271-L283 HydrophobicContact CG1-CD2 4.14Å; I271-L283 HydrophobicContact CG1-CG 4.18Å; C274-L283 HydrophobicContact CB-CD2 4.25Å; K279-L283 PolarHBondContact O-N 3.28Å; R280-L283 WeakPolarHBondContact O-CB 3.35Å; R280-L283 PolarHBondContact O-N 2.99Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.49Å; L283-K286 HydrophobicContact CD1-CB 4.48Å; L283-K286 VanDerWaalsContact O-CB 3.25Å; L283-K286 WeakPolarHBondContact O-CB 3.43Å; L283-K286 PolarHBondContact O-N 2.96Å; L283-K286 VanDerWaalsContact O-N 3.1Å; L283-F287 HydrophobicContact CD1-CD2 4.11Å; L283-F287 HydrophobicContact CD1-CE2 3.59Å; L283-F287 HydrophobicContact CD1-CZ 4.11Å; L283-F287 HydrophobicContact CD2-CE2 4.23Å; L283-F287 HydrophobicContact CG-CD2 4.04Å; L283-F287 HydrophobicContact CG-CE2 3.64Å; L283-F287 VanDerWaalsContact O-CD2 3.28Å; L283-F287 WeakPolarHBondContact O-CD2 3.46Å; L283-F287 PolarHBondContact O-N 3.5Å
284V98.6Very high97.7Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-56.8-46.8170.3173.30000111.1I271 R280 K286 F287 I288 L310 T321 W322 V325I271-V284 HydrophobicContact CD1-CG2 4.05Å; I271-V284 HydrophobicContact CG1-CG2 4.39Å; I271-V284 HydrophobicContact CG2-CG2 4.29Å; R280-V284 PolarHBondContact O-N 3.04Å; V284-K286 VanDerWaalsContact C-N 3.29Å; V284-K286 PolarHBondContact O-N 3.02Å; V284-F287 PolarHBondContact O-N 3.06Å; V284-I288 HydrophobicContact CG1-CD1 4.01Å; V284-I288 WeakPolarHBondContact O-CG1 3.12Å; V284-I288 PolarHBondContact O-N 2.64Å; V284-I288 VanDerWaalsContact O-N 3.07Å; V284-L310 HydrophobicContact CG1-CD2 4.28Å; V284-T321 HydrophobicContact CG2-CG2 3.96Å; V284-W322 HydrophobicContact CG1-CE3 4.13Å; V284-W322 HydrophobicContact CG1-CH2 3.7Å; V284-W322 HydrophobicContact CG1-CZ2 4.24Å; V284-W322 HydrophobicContact CG1-CZ3 3.62Å; V284-V325 HydrophobicContact CB-CG2 4.05Å; V284-V325 HydrophobicContact CG1-CG2 3.84Å
285K98.3Very high97.8Very high52 Ų5240.4 Ų40.423%0.22621%0.211CC..Hα-helixtrans-60.3-39.2175.3-66.7169-170.2171.80111.9A281 H282 L283 I288 K289 K324 V325 F329A281-K285 WeakPolarHBondContact O-CG 3.45Å; A281-K285 PolarHBondContact O-N 3.21Å; H282-K285 CarbonylContact O-C 3.6Å; H282-K285 WeakPolarHBondContact O-CB 3.37Å; H282-K285 PolarHBondContact O-N 3.32Å; H282-K285 VanDerWaalsContact O-N 3.16Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.49Å; K285-I288 PolarHBondContact O-N 3.09Å; K285-K289 WeakPolarHBondContact O-CG 3.33Å; K285-K289 PolarHBondContact O-N 2.87Å; K285-K324 WeakPolarHBondContact CE-O 3.28Å; K285-K324 PolarHBondContact NZ-O 2.72Å; K285-V325 HydrophobicContact CG-CG1 3.98Å; K285-V325 HydrophobicContact CG-CG2 4.45Å; K285-F329 HydrophobicContact CB-CD2 4.33Å; K285-F329 HydrophobicContact CD-CD2 4.1Å; K285-F329 HydrophobicContact CD-CE2 4.38Å; K285-F329 HydrophobicContact CG-CD2 3.82Å; K285-F329 HydrophobicContact CG-CE2 4.34Å; K285-F329 HydrophobicContact CG-CG 4.22Å
286K98Very high97.9Very high17 Ų1739.5 Ų39.57%0.07420%0.202CC..Hα-helixtrans-59.5-48.3177.4-167.285.4173.5-123.60110.5L207 E208 L210 S212 H282 L283 V284 K289 I290L207-K286 WeakPolarHBondContact O-CE 3.41Å; L207-K286 PolarHBondContact O-NZ 3.33Å; E208-K286 PolarHBondContact O-NZ 3.3Å; L210-K286 WeakPolarHBondContact O-CE 3.49Å; L210-K286 PolarHBondContact O-NZ 3.13Å; S212-K286 WeakPolarHBondContact OG-CD 3.27Å; S212-K286 PolarHBondContact OG-O 3.33Å; H282-K286 PolarHBondContact O-N 3.43Å; L283-K286 HydrophobicContact CD1-CB 4.48Å; L283-K286 VanDerWaalsContact O-CB 3.25Å; L283-K286 WeakPolarHBondContact O-CB 3.43Å; L283-K286 PolarHBondContact O-N 2.96Å; L283-K286 VanDerWaalsContact O-N 3.1Å; V284-K286 VanDerWaalsContact C-N 3.29Å; V284-K286 PolarHBondContact O-N 3.02Å; K286-K289 WeakPolarHBondContact O-CB 3.38Å; K286-K289 PolarHBondContact O-N 2.74Å; K286-I290 HydrophobicContact CG-CD1 4.18Å; K286-I290 WeakPolarHBondContact O-CG1 3.43Å; K286-I290 PolarHBondContact O-N 3.12Å
287F98.7Very high97.9Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-64-40.4178.2-75.7-55.5000113.2L207 W266 V267 E270 I271 L283 V284 K289 I290 A291 I306 L310L207-F287 HydrophobicContact CD2-CZ 4.23Å; W266-F287 AromaticContact CE3-CE1 3.84Å; W266-F287 HydrophobicContact CE3-CE1 3.84Å; W266-F287 HydrophobicContact CE3-CZ 4.29Å; W266-F287 AromaticContact CH2-CE1 3.61Å; W266-F287 HydrophobicContact CH2-CE1 3.61Å; W266-F287 HydrophobicContact CH2-CZ 4.17Å; W266-F287 HydrophobicContact CZ2-CE1 4.25Å; W266-F287 HydrophobicContact CZ2-CZ 4.36Å; W266-F287 HydrophobicContact CZ3-CD1 4.33Å; W266-F287 AromaticContact CZ3-CE1 3.39Å; W266-F287 HydrophobicContact CZ3-CE1 3.39Å; W266-F287 HydrophobicContact CZ3-CZ 4.15Å; V267-F287 HydrophobicContact CB-CE1 4.41Å; V267-F287 HydrophobicContact CB-CZ 4.39Å; V267-F287 HydrophobicContact CG1-CD1 4.31Å; V267-F287 HydrophobicContact CG1-CD2 3.94Å; V267-F287 HydrophobicContact CG1-CE2 4.17Å; V267-F287 HydrophobicContact CG1-CG 4.01Å; V267-F287 HydrophobicContact CG1-CZ 4.49Å; V267-F287 HydrophobicContact CG2-CD1 3.75Å; V267-F287 HydrophobicContact CG2-CE1 3.72Å; V267-F287 HydrophobicContact CG2-CG 4.28Å; V267-F287 HydrophobicContact CG2-CZ 4.17Å; E270-F287 HydrophobicContact CB-CE2 4.27Å; E270-F287 HydrophobicContact CB-CZ 4.14Å; I271-F287 HydrophobicContact CD1-CD2 3.87Å; I271-F287 HydrophobicContact CD1-CE2 4.15Å; I271-F287 HydrophobicContact CG1-CD2 3.98Å; I271-F287 HydrophobicContact CG1-CE2 3.86Å; L283-F287 HydrophobicContact CD1-CD2 4.11Å; L283-F287 HydrophobicContact CD1-CE2 3.59Å; L283-F287 HydrophobicContact CD1-CZ 4.11Å; L283-F287 HydrophobicContact CD2-CE2 4.23Å; L283-F287 HydrophobicContact CG-CD2 4.04Å; L283-F287 HydrophobicContact CG-CE2 3.64Å; L283-F287 VanDerWaalsContact O-CD2 3.28Å; L283-F287 WeakPolarHBondContact O-CD2 3.46Å; L283-F287 PolarHBondContact O-N 3.5Å; V284-F287 PolarHBondContact O-N 3.06Å; F287-K289 VanDerWaalsContact C-N 3.27Å; F287-K289 PolarHBondContact O-N 3.35Å; F287-I290 HydrophobicContact CD1-CD1 4.04Å; F287-I290 HydrophobicContact CE1-CD1 4.38Å; F287-I290 PolarHBondContact O-N 3.41Å; F287-A291 WeakPolarHBondContact O-CB 3.42Å; F287-A291 PolarHBondContact O-N 3.02Å; F287-I306 HydrophobicContact CB-CG2 3.92Å; F287-I306 HydrophobicContact CD1-CG2 4.34Å; F287-I306 HydrophobicContact CG-CG2 4.49Å; F287-L310 HydrophobicContact CB-CD1 4.1Å; F287-L310 HydrophobicContact CB-CD2 4.16Å; F287-L310 HydrophobicContact CB-CG 4.4Å
288I98.8Very high97.9Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-59.9-39.9173.8-64.2165.4000110.9V284 K285 L292 L310 W322 V325 F329 Q332 F333 F336V284-I288 HydrophobicContact CG1-CD1 4.01Å; V284-I288 WeakPolarHBondContact O-CG1 3.12Å; V284-I288 PolarHBondContact O-N 2.64Å; V284-I288 VanDerWaalsContact O-N 3.07Å; K285-I288 PolarHBondContact O-N 3.09Å; I288-L292 PolarHBondContact O-N 3.06Å; I288-L310 HydrophobicContact CG1-CD1 3.73Å; I288-W322 HydrophobicContact CD1-CZ3 4.35Å; I288-V325 HydrophobicContact CD1-CG1 4.49Å; I288-F329 HydrophobicContact CB-CD1 4.37Å; I288-F329 HydrophobicContact CD1-CB 4.05Å; I288-F329 HydrophobicContact CG2-CD1 3.88Å; I288-Q332 HydrophobicContact CG2-CB 4.47Å; I288-Q332 HydrophobicContact CG2-CG 4.02Å; I288-F333 HydrophobicContact CD1-CB 3.95Å; I288-F333 HydrophobicContact CG1-CB 4.19Å; I288-F333 HydrophobicContact CG1-CD2 4.47Å; I288-F336 HydrophobicContact CG2-CE2 3.9Å
289K98.7Very high97.9Very high89 Ų8936.7 Ų36.739%0.38718%0.177SC..Hα-helixtrans-66.9-42.7175.1-71.3177.4177.4-174.50112.6S212 K285 K286 F287 A291 L292 H293 F329S212-K289 WeakPolarHBondContact OG-CB 3.39Å; K285-K289 WeakPolarHBondContact O-CG 3.33Å; K285-K289 PolarHBondContact O-N 2.87Å; K286-K289 WeakPolarHBondContact O-CB 3.38Å; K286-K289 PolarHBondContact O-N 2.74Å; F287-K289 VanDerWaalsContact C-N 3.27Å; F287-K289 PolarHBondContact O-N 3.35Å; K289-A291 VanDerWaalsContact C-N 3.34Å; K289-L292 WeakPolarHBondContact O-CB 3.39Å; K289-L292 PolarHBondContact O-N 2.74Å; K289-H293 PolarHBondContact O-CD2 2.99Å; K289-H293 PolarHBondContact O-N 3.01Å; K289-F329 HydrophobicContact CD-CE1 4.48Å; K289-F329 HydrophobicContact CD-CZ 4.44Å; K289-F329 VanDerWaalsContact CE-CZ 3.43Å; K289-F329 HydrophobicContact CG-CE1 3.8Å; K289-F329 HydrophobicContact CG-CZ 4.24Å
290I98.6Very high98Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-60.8-46.5177-63.6164000109.6L215 A216 L219 K286 F287 L292 H293 A294 I306L215-I290 HydrophobicContact CB-CD1 4.16Å; L215-I290 HydrophobicContact CB-CG1 4.29Å; L215-I290 HydrophobicContact CD1-CD1 3.77Å; A216-I290 HydrophobicContact CB-CG2 4.14Å; L219-I290 HydrophobicContact CD1-CG2 3.78Å; K286-I290 HydrophobicContact CG-CD1 4.18Å; K286-I290 WeakPolarHBondContact O-CG1 3.43Å; K286-I290 PolarHBondContact O-N 3.12Å; F287-I290 HydrophobicContact CD1-CD1 4.04Å; F287-I290 HydrophobicContact CE1-CD1 4.38Å; F287-I290 PolarHBondContact O-N 3.41Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 2.89Å; I290-H293 PolarHBondContact O-N 3.19Å; I290-H293 VanDerWaalsContact O-N 3.15Å; I290-A294 PolarHBondContact O-N 3.16Å; I290-I306 HydrophobicContact CB-CD1 4.12Å; I290-I306 HydrophobicContact CG2-CD1 3.5Å; I290-I306 VanDerWaalsContact CG2-CD1 3.5Å
291A98.8Very high98.1Very high0 Ų031.5 Ų31.50%015%0.154CC..Hα-helixtrans-58.2-41.9175.600000112.1F287 K289 H293 A294 K295 F303 I306 F336F287-A291 WeakPolarHBondContact O-CB 3.42Å; F287-A291 PolarHBondContact O-N 3.02Å; K289-A291 VanDerWaalsContact C-N 3.34Å; A291-H293 PolarHBondContact O-N 3.04Å; A291-A294 PolarHBondContact O-N 3.47Å; A291-K295 WeakPolarHBondContact O-CB 3.02Å; A291-K295 PolarHBondContact O-N 3.19Å; A291-F303 HydrophobicContact CB-CD2 3.97Å; A291-F303 HydrophobicContact CB-CE2 4.42Å; A291-F303 VanDerWaalsContact O-CD2 3.25Å; A291-F303 WeakPolarHBondContact O-CD2 3.41Å; A291-I306 HydrophobicContact CB-CB 4.18Å; A291-I306 HydrophobicContact CB-CG2 3.92Å; A291-F336 HydrophobicContact CB-CD2 4.21Å; A291-F336 HydrophobicContact CB-CE2 3.91Å
292L98.7Very high98.1Very high47 Ų4731.4 Ų31.425%0.24615%0.154CC..Hα-helixtrans-60.2-45.5174.8-177.762.3000112.3I288 K289 I290 K295 N296 Q332 F336I288-L292 PolarHBondContact O-N 3.06Å; K289-L292 WeakPolarHBondContact O-CB 3.39Å; K289-L292 PolarHBondContact O-N 2.74Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 2.89Å; L292-K295 PolarHBondContact O-N 3.38Å; L292-N296 PolarHBondContact O-N 3.02Å; L292-N296 PolarHBondContact O-ND2 2.98Å; L292-Q332 VanDerWaalsContact CD2-NE2 3.3Å; L292-F336 HydrophobicContact CB-CZ 3.96Å; L292-F336 HydrophobicContact CD1-CE1 4.32Å; L292-F336 HydrophobicContact CD1-CZ 4.05Å
293H98.2Very high98.2Very high69 Ų6926.7 Ų26.732%0.31913%0.132SC..Hα-helixtrans-63.2-44.4176.9-75.1-69.2000111.5A216 K289 I290 A291 K295 N296 S297A216-H293 HydrophobicContact CB-CB 3.39Å; K289-H293 PolarHBondContact O-CD2 2.99Å; K289-H293 PolarHBondContact O-N 3.01Å; I290-H293 PolarHBondContact O-N 3.19Å; I290-H293 VanDerWaalsContact O-N 3.15Å; A291-H293 PolarHBondContact O-N 3.04Å; H293-K295 VanDerWaalsContact C-N 3.35Å; H293-K295 PolarHBondContact O-N 3.25Å; H293-N296 PolarHBondContact O-N 3.37Å; H293-N296 VanDerWaalsContact O-N 3.16Å; H293-S297 PolarHBondContact O-N 2.93Å; H293-S297 PolarHBondContact O-OG 3.43Å
294A98.3Very high98.2Very high1 Ų125.8 Ų25.81%0.00813%0.127CC..Hα-helixtrans-57.6-46.4175.200000112I290 A291 N296 S297 H298 D299 F303I290-A294 PolarHBondContact O-N 3.16Å; A291-A294 PolarHBondContact O-N 3.47Å; A294-N296 VanDerWaalsContact C-N 3.33Å; A294-N296 PolarHBondContact O-N 2.82Å; A294-S297 CarbonylContact O-C 3.07Å; A294-S297 PolarHBondContact O-N 3.15Å; A294-H298 PolarHBondContact O-N 3.34Å; A294-D299 HydrophobicContact CB-CB 4.21Å; A294-D299 PolarHBondContact O-N 3.1Å; A294-F303 HydrophobicContact CB-CB 4.12Å
295K98Very high98.2Very high59 Ų5925.8 Ų25.826%0.25713%0.127SC..Hα-helixtrans-58.7-43175.3-175.7-176.5173-63.30112.2A291 L292 H293 S297 H298 F303 L339A291-K295 WeakPolarHBondContact O-CB 3.02Å; A291-K295 PolarHBondContact O-N 3.19Å; L292-K295 PolarHBondContact O-N 3.38Å; H293-K295 VanDerWaalsContact C-N 3.35Å; H293-K295 PolarHBondContact O-N 3.25Å; K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 2.62Å; K295-H298 PolarHBondContact O-N 3.29Å; K295-F303 HydrophobicContact CB-CB 4.38Å; K295-F303 HydrophobicContact CB-CD1 4.32Å; K295-F303 HydrophobicContact CB-CD2 3.76Å; K295-F303 HydrophobicContact CB-CE2 4.08Å; K295-F303 HydrophobicContact CB-CG 3.88Å; K295-F303 HydrophobicContact CD-CE1 4.2Å; K295-F303 HydrophobicContact CD-CE2 4.07Å; K295-F303 HydrophobicContact CD-CZ 3.88Å; K295-F303 HydrophobicContact CG-CD1 4.41Å; K295-F303 HydrophobicContact CG-CD2 4.49Å; K295-F303 HydrophobicContact CG-CE1 4.38Å; K295-F303 HydrophobicContact CG-CE2 4.47Å; K295-F303 HydrophobicContact CG-CG 4.45Å; K295-F303 HydrophobicContact CG-CZ 4.43Å; K295-L339 HydrophobicContact CD-CD1 4.49Å
296N96.8Very high98.3Very high96 Ų9623.3 Ų23.351%0.51312%0.116SC..Hα-helixtrans-69.5-28.7-179.7-69.3-13.1000112.7L292 H293 A294 H298L292-N296 PolarHBondContact O-N 3.02Å; L292-N296 PolarHBondContact O-ND2 2.98Å; H293-N296 PolarHBondContact O-N 3.37Å; H293-N296 VanDerWaalsContact O-N 3.16Å; A294-N296 VanDerWaalsContact C-N 3.33Å; A294-N296 PolarHBondContact O-N 2.82Å; N296-H298 VanDerWaalsContact C-N 3.28Å
297S96.2Very high98.3Very high50 Ų5022.6 Ų22.635%0.3511%0.113SC..THydrogen-bonded Turntrans-89.110.5174.1-55.30000113.5H293 A294 K295 D299H293-S297 PolarHBondContact O-N 2.93Å; H293-S297 PolarHBondContact O-OG 3.43Å; A294-S297 CarbonylContact O-C 3.07Å; A294-S297 PolarHBondContact O-N 3.15Å; K295-S297 VanDerWaalsContact C-N 3.3Å; K295-S297 PolarHBondContact O-N 2.62Å; S297-D299 PolarHBondContact O-N 2.81Å
298H97.1Very high98.3Very high62 Ų6225 Ų2529%0.28713%0.125SC..THydrogen-bonded Turntrans58.922.9-177.6-49157.7000114.8A294 K295 N296 L300 I356 P359 V360 I361A294-H298 PolarHBondContact O-N 3.34Å; K295-H298 PolarHBondContact O-N 3.29Å; N296-H298 VanDerWaalsContact C-N 3.28Å; H298-L300 VanDerWaalsContact C-N 3.32Å; H298-L300 PolarHBondContact O-N 2.75Å; H298-I356 HydrophobicContact CB-CG2 3.94Å; H298-I356 VanDerWaalsContact CG-CG2 3.42Å; H298-I356 VanDerWaalsContact ND1-CG2 3.35Å; H298-I356 WeakPolarHBondContact ND1-CG2 3.15Å; H298-P359 WeakPolarHBondContact CB-O 3.48Å; H298-V360 HydrophobicContact CB-CG2 4.33Å; H298-I361 PolarHBondContact O-N 3.33Å
299D98Very high98.3Very high0 Ų025 Ų250%013%0.125CC..BIsolated β-bridgetrans-84.877.4166.7-178.63.3000109.1L220 H223 A294 S297 F301 S302 F303 I361L220-D299 HydrophobicContact CD1-CB 3.92Å; H223-D299 IonicContact ND1-OD2 3.65Å; A294-D299 HydrophobicContact CB-CB 4.21Å; A294-D299 PolarHBondContact O-N 3.1Å; S297-D299 PolarHBondContact O-N 2.81Å; D299-F301 PolarHBondContact O-N 3.35Å; D299-F301 WeakPolarHBondContact OD1-CB 3.41Å; D299-F301 PolarHBondContact OD1-N 2.62Å; D299-S302 PolarHBondContact OD1-N 3.36Å; D299-S302 WeakPolarHBondContact OD2-CB 3.42Å; D299-S302 PolarHBondContact OD2-OG 3.13Å; D299-F303 VanDerWaalsContact O-CB 3.24Å; D299-F303 WeakPolarHBondContact O-CB 3.34Å; D299-F303 PolarHBondContact O-N 3.21Å; D299-F303 VanDerWaalsContact O-N 3.14Å; D299-I361 HydrophobicContact CB-CD1 4.43Å
300L98.4Very high98.3Very high0 Ų020.7 Ų20.70%011%0.107CC..Hα-helixtrans-68.2-23.4177.9-56.1-177.7000111.3H298 F303 F304 Y349 L352 V353 I356 V360 I361H298-L300 VanDerWaalsContact C-N 3.32Å; H298-L300 PolarHBondContact O-N 2.75Å; L300-F303 HydrophobicContact CD2-CD1 4.28Å; L300-F304 HydrophobicContact CB-CD2 4.06Å; L300-F304 HydrophobicContact CB-CE2 4.01Å; L300-F304 HydrophobicContact CD2-CE2 4.48Å; L300-F304 WeakPolarHBondContact O-CB 3.27Å; L300-F304 WeakPolarHBondContact O-CD2 3.35Å; L300-F304 PolarHBondContact O-N 2.93Å; L300-Y349 HydrophobicContact CD1-CE2 4.11Å; L300-L352 HydrophobicContact CD1-CD2 4.45Å; L300-L352 HydrophobicContact CD2-CD2 3.95Å; L300-V353 HydrophobicContact CD1-CG2 3.65Å; L300-I356 HydrophobicContact CD1-CD1 4.15Å; L300-I356 HydrophobicContact CD2-CD1 4.3Å; L300-V360 HydrophobicContact CD1-CG1 3.93Å; L300-V360 HydrophobicContact CG-CG1 4.11Å; L300-I361 WeakPolarHBondContact CA-O 3.42Å; L300-I361 VanDerWaalsContact CB-O 3.28Å; L300-I361 WeakPolarHBondContact CB-O 3.45Å; L300-I361 PolarHBondContact N-O 2.67Å
301F98.5Very high98.3Very high0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-62.2-58.8175.2179.8-81.8000111.7H223 F256 R259 F260 D299 F303 F304 A305 I361 I364H223-F301 HydrophobicContact CB-CD1 4.16Å; H223-F301 HydrophobicContact CB-CE1 4.42Å; H223-F301 AromaticContact CD2-CE1 3.73Å; H223-F301 AromaticContact CE1-CD1 3.93Å; H223-F301 AromaticContact CE1-CE1 3.92Å; H223-F301 AromaticContact CG-CD1 3.73Å; H223-F301 AromaticContact CG-CE1 3.78Å; H223-F301 AromaticContact ND1-CD1 3.58Å; H223-F301 AromaticContact ND1-CE1 3.9Å; H223-F301 AromaticContact NE2-CE1 3.81Å; F256-F301 HydrophobicContact CD2-CD2 4.28Å; F256-F301 AromaticContact CD2-CE2 3.53Å; F256-F301 HydrophobicContact CD2-CE2 3.53Å; F256-F301 AromaticContact CD2-CZ 3.65Å; F256-F301 HydrophobicContact CD2-CZ 3.65Å; F256-F301 HydrophobicContact CE1-CD2 4.3Å; F256-F301 HydrophobicContact CE1-CE2 4.24Å; F256-F301 HydrophobicContact CE2-CD1 4.22Å; F256-F301 AromaticContact CE2-CD2 3.41Å; F256-F301 HydrophobicContact CE2-CD2 3.41Å; F256-F301 VanDerWaalsContact CE2-CD2 3.41Å; F256-F301 HydrophobicContact CE2-CE1 4Å; F256-F301 AromaticContact CE2-CE2 3.1Å; F256-F301 HydrophobicContact CE2-CE2 3.1Å; F256-F301 AromaticContact CE2-CG 3.95Å; F256-F301 HydrophobicContact CE2-CG 3.95Å; F256-F301 AromaticContact CE2-CZ 3.41Å; F256-F301 HydrophobicContact CE2-CZ 3.41Å; F256-F301 VanDerWaalsContact CE2-CZ 3.41Å; F256-F301 HydrophobicContact CG-CE2 4.24Å; F256-F301 AromaticContact CZ-CD2 3.4Å; F256-F301 HydrophobicContact CZ-CD2 3.4Å; F256-F301 VanDerWaalsContact CZ-CD2 3.4Å; F256-F301 AromaticContact CZ-CE2 3.49Å; F256-F301 HydrophobicContact CZ-CE2 3.49Å; F256-F301 VanDerWaalsContact CZ-CE2 3.49Å; F256-F301 HydrophobicContact CZ-CG 4.09Å; F256-F301 HydrophobicContact CZ-CZ 4.25Å; F256-F301 WeakPolarHBondContact O-CZ 3.36Å; R259-F301 HydrophobicContact CB-CZ 4.46Å; R259-F301 HydrophobicContact CG-CE1 4.44Å; F260-F301 HydrophobicContact CB-CD2 4.49Å; F260-F301 HydrophobicContact CB-CE1 4.16Å; F260-F301 HydrophobicContact CB-CE2 3.55Å; F260-F301 HydrophobicContact CB-CZ 3.36Å; F260-F301 HydrophobicContact CD2-CD1 4.19Å; F260-F301 AromaticContact CD2-CD2 3.69Å; F260-F301 HydrophobicContact CD2-CD2 3.69Å; F260-F301 HydrophobicContact CD2-CE1 4.08Å; F260-F301 AromaticContact CD2-CE2 3.59Å; F260-F301 HydrophobicContact CD2-CE2 3.59Å; F260-F301 HydrophobicContact CD2-CG 4Å; F260-F301 AromaticContact CD2-CZ 3.81Å; F260-F301 HydrophobicContact CD2-CZ 3.81Å; F260-F301 WeakPolarHBondContact CE2-O 3.29Å; F260-F301 HydrophobicContact CG-CE2 4.02Å; F260-F301 HydrophobicContact CG-CZ 4.09Å; F260-F301 VanDerWaalsContact N-CZ 3.32Å; D299-F301 PolarHBondContact O-N 3.35Å; D299-F301 WeakPolarHBondContact OD1-CB 3.41Å; D299-F301 PolarHBondContact OD1-N 2.62Å; F301-F303 VanDerWaalsContact C-N 3.32Å; F301-F303 PolarHBondContact O-N 3.17Å; F301-F304 PolarHBondContact O-N 3.37Å; F301-A305 WeakPolarHBondContact O-CB 3.42Å; F301-A305 PolarHBondContact O-N 3.1Å; F301-I361 HydrophobicContact CB-CB 4.13Å; F301-I361 HydrophobicContact CB-CG2 3.47Å; F301-I361 VanDerWaalsContact CB-CG2 3.47Å; F301-I361 HydrophobicContact CD2-CG2 4.49Å; F301-I361 HydrophobicContact CG-CG2 4.15Å; F301-I361 PolarHBondContact N-O 3.15Å; F301-I364 HydrophobicContact CD2-CG1 4.46Å
302S98.6Very high98.3Very high0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-61-44175.9-74.80000112H223 D299 F304 A305 I306H223-S302 PolarHBondContact CE1-OG 3.07Å; H223-S302 PolarHBondContact ND1-OG 3.37Å; D299-S302 PolarHBondContact OD1-N 3.36Å; D299-S302 WeakPolarHBondContact OD2-CB 3.42Å; D299-S302 PolarHBondContact OD2-OG 3.13Å; S302-F304 VanDerWaalsContact C-N 3.29Å; S302-F304 PolarHBondContact O-N 3.05Å; S302-A305 PolarHBondContact O-N 3.12Å; S302-I306 WeakPolarHBondContact O-CB 3.25Å; S302-I306 VanDerWaalsContact O-CG1 3.31Å; S302-I306 WeakPolarHBondContact O-CG1 3.36Å; S302-I306 PolarHBondContact O-N 3Å
303F98.8Very high98.3Very high0 Ų024.8 Ų24.80%013%0.134CC..Hα-helixtrans-53.4-49.2-178.9170-122.5000111.3A291 A294 K295 D299 L300 F301 T307 F336 L339A291-F303 HydrophobicContact CB-CD2 3.97Å; A291-F303 HydrophobicContact CB-CE2 4.42Å; A291-F303 VanDerWaalsContact O-CD2 3.25Å; A291-F303 WeakPolarHBondContact O-CD2 3.41Å; A294-F303 HydrophobicContact CB-CB 4.12Å; K295-F303 HydrophobicContact CB-CB 4.38Å; K295-F303 HydrophobicContact CB-CD1 4.32Å; K295-F303 HydrophobicContact CB-CD2 3.76Å; K295-F303 HydrophobicContact CB-CE2 4.08Å; K295-F303 HydrophobicContact CB-CG 3.88Å; K295-F303 HydrophobicContact CD-CE1 4.2Å; K295-F303 HydrophobicContact CD-CE2 4.07Å; K295-F303 HydrophobicContact CD-CZ 3.88Å; K295-F303 HydrophobicContact CG-CD1 4.41Å; K295-F303 HydrophobicContact CG-CD2 4.49Å; K295-F303 HydrophobicContact CG-CE1 4.38Å; K295-F303 HydrophobicContact CG-CE2 4.47Å; K295-F303 HydrophobicContact CG-CG 4.45Å; K295-F303 HydrophobicContact CG-CZ 4.43Å; D299-F303 VanDerWaalsContact O-CB 3.24Å; D299-F303 WeakPolarHBondContact O-CB 3.34Å; D299-F303 PolarHBondContact O-N 3.21Å; D299-F303 VanDerWaalsContact O-N 3.14Å; L300-F303 HydrophobicContact CD2-CD1 4.28Å; F301-F303 VanDerWaalsContact C-N 3.32Å; F301-F303 PolarHBondContact O-N 3.17Å; F303-T307 WeakPolarHBondContact O-CB 3.46Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 PolarHBondContact O-OG1 3.35Å; F303-F336 HydrophobicContact CE2-CB 3.77Å; F303-F336 AromaticContact CE2-CD1 3.62Å; F303-F336 HydrophobicContact CE2-CD1 3.62Å; F303-F336 AromaticContact CE2-CD2 3.65Å; F303-F336 HydrophobicContact CE2-CD2 3.65Å; F303-F336 HydrophobicContact CE2-CE1 4.04Å; F303-F336 HydrophobicContact CE2-CE2 4.05Å; F303-F336 AromaticContact CE2-CG 3.41Å; F303-F336 HydrophobicContact CE2-CG 3.41Å; F303-F336 VanDerWaalsContact CE2-CG 3.41Å; F303-F336 HydrophobicContact CE2-CZ 4.23Å; F303-F336 HydrophobicContact CZ-CB 3.66Å; F303-F336 AromaticContact CZ-CD1 3.75Å; F303-F336 HydrophobicContact CZ-CD1 3.75Å; F303-F336 HydrophobicContact CZ-CD2 4.38Å; F303-F336 HydrophobicContact CZ-CE1 4.47Å; F303-F336 AromaticContact CZ-CG 3.7Å; F303-F336 HydrophobicContact CZ-CG 3.7Å; F303-L339 HydrophobicContact CE1-CD1 3.82Å; F303-L339 HydrophobicContact CZ-CD1 3.82Å
304F98.7Very high98.3Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-79.4-34-178.7-71.4-52.5000113.5L300 F301 S302 I306 T307 L308 L339 L340 Y349 L352 F363L300-F304 HydrophobicContact CB-CD2 4.06Å; L300-F304 HydrophobicContact CB-CE2 4.01Å; L300-F304 HydrophobicContact CD2-CE2 4.48Å; L300-F304 WeakPolarHBondContact O-CB 3.27Å; L300-F304 WeakPolarHBondContact O-CD2 3.35Å; L300-F304 PolarHBondContact O-N 2.93Å; F301-F304 PolarHBondContact O-N 3.37Å; S302-F304 VanDerWaalsContact C-N 3.29Å; S302-F304 PolarHBondContact O-N 3.05Å; F304-I306 VanDerWaalsContact C-N 3.31Å; F304-I306 PolarHBondContact O-N 3.47Å; F304-T307 PolarHBondContact O-N 3.35Å; F304-L308 WeakPolarHBondContact O-CB 3Å; F304-L308 VanDerWaalsContact O-CG 3.27Å; F304-L308 WeakPolarHBondContact O-CG 3.24Å; F304-L308 PolarHBondContact O-N 3.35Å; F304-L339 HydrophobicContact CE1-CB 3.92Å; F304-L339 HydrophobicContact CZ-CB 4.01Å; F304-L340 HydrophobicContact CB-CD1 4.08Å; F304-L340 HydrophobicContact CD1-CD1 3.39Å; F304-L340 HydrophobicContact CD1-CD2 3.52Å; F304-L340 HydrophobicContact CD1-CG 3.24Å; F304-L340 HydrophobicContact CD2-CD2 4.08Å; F304-L340 HydrophobicContact CE1-CB 4.49Å; F304-L340 HydrophobicContact CE1-CD1 4.04Å; F304-L340 HydrophobicContact CE1-CD2 3.55Å; F304-L340 HydrophobicContact CE1-CG 3.34Å; F304-L340 HydrophobicContact CE2-CD2 4.14Å; F304-L340 HydrophobicContact CG-CD1 3.93Å; F304-L340 HydrophobicContact CG-CD2 3.78Å; F304-L340 HydrophobicContact CG-CG 3.97Å; F304-L340 HydrophobicContact CZ-CD2 3.85Å; F304-L340 HydrophobicContact CZ-CG 4.14Å; F304-Y349 HydrophobicContact CD2-CD2 4.37Å; F304-Y349 HydrophobicContact CD2-CE2 4.22Å; F304-Y349 AromaticContact CE2-CD2 3.46Å; F304-Y349 HydrophobicContact CE2-CD2 3.46Å; F304-Y349 VanDerWaalsContact CE2-CD2 3.46Å; F304-Y349 AromaticContact CE2-CE2 3.56Å; F304-Y349 HydrophobicContact CE2-CE2 3.56Å; F304-Y349 AromaticContact CZ-CD2 3.82Å; F304-Y349 HydrophobicContact CZ-CD2 3.82Å; F304-Y349 HydrophobicContact CZ-CE2 4.37Å; F304-L352 HydrophobicContact CZ-CD2 4.35Å; F304-F363 HydrophobicContact CB-CD2 3.92Å; F304-F363 HydrophobicContact CB-CE2 4.28Å; F304-F363 HydrophobicContact CB-CG 4.47Å; F304-F363 HydrophobicContact CD2-CB 3.85Å; F304-F363 HydrophobicContact CD2-CD2 4.33Å; F304-F363 HydrophobicContact CD2-CG 4.08Å; F304-F363 HydrophobicContact CE2-CB 4.39Å; F304-F363 HydrophobicContact CG-CD2 4.44Å
305A98.8Very high98.3Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-58.4-44.717300000111.5F260 L263 F301 S302 G309F260-A305 HydrophobicContact CD2-CB 3.88Å; F260-A305 HydrophobicContact CE1-CB 4.46Å; F260-A305 HydrophobicContact CE2-CB 3.61Å; F260-A305 HydrophobicContact CG-CB 4.42Å; F260-A305 HydrophobicContact CZ-CB 3.89Å; L263-A305 HydrophobicContact CB-CB 4.01Å; L263-A305 HydrophobicContact CD2-CB 3.61Å; L263-A305 HydrophobicContact CG-CB 3.74Å; F301-A305 WeakPolarHBondContact O-CB 3.42Å; F301-A305 PolarHBondContact O-N 3.1Å; S302-A305 PolarHBondContact O-N 3.12Å; A305-G309 PolarHBondContact O-N 3.08Å
306I98.9Very high98.3Very high0 Ų021.4 Ų21.40%013%0.126CC..Hα-helixtrans-68.8-44.2177.8-64167.4000111.1L219 L263 V267 F287 I290 A291 S302 F304 L308 G309 L310L219-I306 HydrophobicContact CD1-CD1 4.33Å; L263-I306 HydrophobicContact CD1-CG1 4.13Å; L263-I306 HydrophobicContact CD2-CG1 4.25Å; L263-I306 HydrophobicContact CG-CG1 4.17Å; V267-I306 HydrophobicContact CG2-CB 4.29Å; V267-I306 HydrophobicContact CG2-CG1 3.98Å; V267-I306 HydrophobicContact CG2-CG2 4.13Å; F287-I306 HydrophobicContact CB-CG2 3.92Å; F287-I306 HydrophobicContact CD1-CG2 4.34Å; F287-I306 HydrophobicContact CG-CG2 4.49Å; I290-I306 HydrophobicContact CB-CD1 4.12Å; I290-I306 HydrophobicContact CG2-CD1 3.5Å; I290-I306 VanDerWaalsContact CG2-CD1 3.5Å; A291-I306 HydrophobicContact CB-CB 4.18Å; A291-I306 HydrophobicContact CB-CG2 3.92Å; S302-I306 WeakPolarHBondContact O-CB 3.25Å; S302-I306 VanDerWaalsContact O-CG1 3.31Å; S302-I306 WeakPolarHBondContact O-CG1 3.36Å; S302-I306 PolarHBondContact O-N 3Å; F304-I306 VanDerWaalsContact C-N 3.31Å; F304-I306 PolarHBondContact O-N 3.47Å; I306-L308 VanDerWaalsContact C-N 3.34Å; I306-L308 PolarHBondContact O-N 3.29Å; I306-G309 PolarHBondContact O-N 3.01Å; I306-G309 VanDerWaalsContact O-N 3.15Å; I306-L310 HydrophobicContact CG2-CD1 4.25Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.28Å
307T98.8Very high98.3Very high1 Ų119.3 Ų19.31%0.00611%0.111CC..Hα-helixtrans-55.9-49.7176.4-58.90000110.7F303 F304 G309 L310 S311 F333 F336 E337F303-T307 WeakPolarHBondContact O-CB 3.46Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 PolarHBondContact O-OG1 3.35Å; F304-T307 PolarHBondContact O-N 3.35Å; T307-G309 VanDerWaalsContact C-N 3.31Å; T307-G309 PolarHBondContact O-N 3.28Å; T307-L310 PolarHBondContact O-N 3.17Å; T307-S311 PolarHBondContact O-N 3.34Å; T307-S311 PolarHBondContact O-OG 3.04Å; T307-S311 VanDerWaalsContact O-OG 3.04Å; T307-F333 HydrophobicContact CG2-CE2 4.08Å; T307-F336 HydrophobicContact CG2-CB 3.94Å; T307-E337 HydrophobicContact CG2-CG 4.1Å
308L98.7Very high98.5Very high50 Ų5016.9 Ų16.926%0.2629%0.094SC..Hα-helixtrans-65.2-31.5177.9-69.8175.6000113.2F260 Q264 F304 I306 S311 N312 L340 F363F260-L308 HydrophobicContact CE1-CD1 3.99Å; F260-L308 HydrophobicContact CZ-CD1 3.87Å; Q264-L308 HydrophobicContact CG-CB 4.33Å; F304-L308 WeakPolarHBondContact O-CB 3Å; F304-L308 VanDerWaalsContact O-CG 3.27Å; F304-L308 WeakPolarHBondContact O-CG 3.24Å; F304-L308 PolarHBondContact O-N 3.35Å; I306-L308 VanDerWaalsContact C-N 3.34Å; I306-L308 PolarHBondContact O-N 3.29Å; L308-S311 PolarHBondContact O-N 2.68Å; L308-N312 PolarHBondContact O-N 2.96Å; L308-N312 VanDerWaalsContact O-N 3.11Å; L308-L340 HydrophobicContact CD1-CD1 4.2Å; L308-L340 HydrophobicContact CD2-CD1 3.73Å; L308-L340 HydrophobicContact CG-CD1 3.84Å; L308-F363 HydrophobicContact CD1-CE2 4.26Å; L308-F363 HydrophobicContact CD1-CZ 4.34Å
309G98.8Very high98.5Very high0 Ų017.3 Ų17.30%010%0.104CC..Hα-helixtrans-63.5-45.6172.800000111.6I268 A305 I306 T307 N312I268-G309 VanDerWaalsContact CG1-O 3.28Å; I268-G309 WeakPolarHBondContact CG1-O 3.32Å; A305-G309 PolarHBondContact O-N 3.08Å; I306-G309 PolarHBondContact O-N 3.01Å; I306-G309 VanDerWaalsContact O-N 3.15Å; T307-G309 VanDerWaalsContact C-N 3.31Å; T307-G309 PolarHBondContact O-N 3.28Å; G309-N312 VanDerWaalsContact O-CB 3.27Å; G309-N312 WeakPolarHBondContact O-CB 3.19Å; G309-N312 PolarHBondContact O-N 2.96Å
310L98.8Very high98.5Very high0 Ų021.3 Ų21.30%012%0.123CC..Hα-helixtrans-69.6-33.6176.6-68.3175.4000113.1V267 I271 V284 F287 I288 I306 T307 N312 I315 F333V267-L310 HydrophobicContact CG1-CD2 3.94Å; V267-L310 HydrophobicContact CG1-CG 4.04Å; I271-L310 HydrophobicContact CD1-CD2 3.5Å; V284-L310 HydrophobicContact CG1-CD2 4.28Å; F287-L310 HydrophobicContact CB-CD1 4.1Å; F287-L310 HydrophobicContact CB-CD2 4.16Å; F287-L310 HydrophobicContact CB-CG 4.4Å; I288-L310 HydrophobicContact CG1-CD1 3.73Å; I306-L310 HydrophobicContact CG2-CD1 4.25Å; I306-L310 WeakPolarHBondContact O-CG 3.47Å; I306-L310 PolarHBondContact O-N 3.28Å; T307-L310 PolarHBondContact O-N 3.17Å; L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 2.87Å; L310-I315 HydrophobicContact CD2-CG2 4.38Å; L310-I315 WeakPolarHBondContact O-CG2 3.28Å; L310-F333 HydrophobicContact CB-CD2 4.22Å; L310-F333 HydrophobicContact CB-CE1 4.47Å; L310-F333 HydrophobicContact CB-CE2 3.37Å; L310-F333 HydrophobicContact CB-CZ 3.52Å; L310-F333 HydrophobicContact CD1-CD2 3.9Å; L310-F333 HydrophobicContact CD1-CE2 3.84Å; L310-F333 HydrophobicContact CG-CE2 4.26Å
311S98.5Very high98.5Very high34 Ų3421.3 Ų21.324%0.23812%0.123CC..Hα-helixtrans-74.9-12.7175.9-59.60000113.3T307 L308 V313 F333 E337T307-S311 PolarHBondContact O-N 3.34Å; T307-S311 PolarHBondContact O-OG 3.04Å; T307-S311 VanDerWaalsContact O-OG 3.04Å; L308-S311 PolarHBondContact O-N 2.68Å; S311-V313 PolarHBondContact O-N 3.14Å; S311-F333 WeakPolarHBondContact OG-CZ 3.42Å; S311-E337 WeakPolarHBondContact CB-OE1 3.48Å; S311-E337 WeakPolarHBondContact OG-CG 3.45Å; S311-E337 PolarHBondContact OG-OE1 3.32Å
312N98.6Very high98.5Very high19 Ų1922.7 Ų22.710%0.10213%0.128CC..SBendtrans-54.4136.7178.4-173.1-72000110I268 L308 G309 L310 A314 I315 S316 Q433I268-N312 HydrophobicContact CD1-CB 3.66Å; I268-N312 WeakPolarHBondContact CD1-ND2 3.46Å; I268-N312 HydrophobicContact CG1-CB 3.91Å; L308-N312 PolarHBondContact O-N 2.96Å; L308-N312 VanDerWaalsContact O-N 3.11Å; G309-N312 VanDerWaalsContact O-CB 3.27Å; G309-N312 WeakPolarHBondContact O-CB 3.19Å; G309-N312 PolarHBondContact O-N 2.96Å; L310-N312 VanDerWaalsContact C-N 3.26Å; L310-N312 PolarHBondContact O-N 2.87Å; N312-A314 PolarHBondContact O-N 3.44Å; N312-A314 VanDerWaalsContact OD1-CB 3.31Å; N312-A314 WeakPolarHBondContact OD1-CB 3.33Å; N312-A314 PolarHBondContact OD1-N 2.99Å; N312-I315 HydrophobicContact CB-CG1 4.5Å; N312-I315 WeakPolarHBondContact O-CA 3.12Å; N312-I315 PolarHBondContact O-N 3.34Å; N312-S316 PolarHBondContact O-N 3.32Å; N312-S316 PolarHBondContact O-OG 2.83Å; N312-Q433 PolarHBondContact ND2-OE1 3.49Å; N312-Q433 PolarHBondContact OD1-NE2 3.25Å
313V98.3Very high98.4Very high79 Ų7929.2 Ų29.248%0.47916%0.158SC..Hα-helixtrans-54-30-178.258.50000113.7S311 I315 S316 R317 I437S311-V313 PolarHBondContact O-N 3.14Å; V313-I315 VanDerWaalsContact C-N 3.28Å; V313-I315 PolarHBondContact O-N 3.47Å; V313-S316 WeakPolarHBondContact CA-OG 3.47Å; V313-R317 WeakPolarHBondContact O-CB 3.49Å; V313-R317 WeakPolarHBondContact O-CG 3.5Å; V313-R317 PolarHBondContact O-N 2.92Å; V313-I437 HydrophobicContact CB-CD1 4.49Å; V313-I437 HydrophobicContact CG1-CD1 3.66Å; V313-I437 HydrophobicContact CG2-CD1 4.24Å
314A98.5Very high98.4Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-70-24.8176.100000112.9L272 N312 F436 I437 S440L272-A314 HydrophobicContact CD1-CB 4.04Å; N312-A314 PolarHBondContact O-N 3.44Å; N312-A314 VanDerWaalsContact OD1-CB 3.31Å; N312-A314 WeakPolarHBondContact OD1-CB 3.33Å; N312-A314 PolarHBondContact OD1-N 2.99Å; A314-F436 HydrophobicContact CB-CB 3.71Å; A314-I437 HydrophobicContact CB-CD1 4.25Å; A314-S440 WeakPolarHBondContact O-CB 3.49Å; A314-S440 PolarHBondContact O-OG 3.37Å
315I98.7Very high98.4Very high0 Ų034 Ų340%018%0.179CC..Hα-helixtrans-95.9-48.6177.4-55.3-50.1000111I268 I271 L272 L310 N312 V313 R317 L318 W322I268-I315 HydrophobicContact CB-CD1 4.46Å; I268-I315 HydrophobicContact CB-CG1 4.36Å; I268-I315 HydrophobicContact CG1-CG1 4.19Å; I268-I315 HydrophobicContact CG2-CD1 3.91Å; I268-I315 HydrophobicContact CG2-CG1 4.03Å; I271-I315 HydrophobicContact CB-CD1 3.84Å; I271-I315 HydrophobicContact CD1-CD1 4.35Å; I271-I315 HydrophobicContact CD1-CG1 4.48Å; I271-I315 HydrophobicContact CD1-CG2 4.04Å; I271-I315 HydrophobicContact CG2-CD1 3.72Å; I271-I315 HydrophobicContact CG2-CG2 4.43Å; L272-I315 HydrophobicContact CD1-CD1 4.27Å; L272-I315 HydrophobicContact CD2-CD1 3.88Å; L272-I315 HydrophobicContact CG-CD1 3.71Å; L310-I315 HydrophobicContact CD2-CG2 4.38Å; L310-I315 WeakPolarHBondContact O-CG2 3.28Å; N312-I315 HydrophobicContact CB-CG1 4.5Å; N312-I315 WeakPolarHBondContact O-CA 3.12Å; N312-I315 PolarHBondContact O-N 3.34Å; V313-I315 VanDerWaalsContact C-N 3.28Å; V313-I315 PolarHBondContact O-N 3.47Å; I315-R317 PolarHBondContact O-N 2.98Å; I315-R317 VanDerWaalsContact O-N 3.13Å; I315-L318 HydrophobicContact CD1-CD1 4.4Å; I315-L318 WeakPolarHBondContact O-CB 3.4Å; I315-L318 PolarHBondContact O-N 3.41Å; I315-W322 HydrophobicContact CG2-CZ2 4.08Å; I315-W322 PolarHBondContact O-NE1 3.33Å
316S98.1Very high98.3Very high58 Ų5836.4 Ų36.441%0.40620%0.196SC..Hα-helixtrans-62.2-24.1-176.159.90000113.3N312 V313N312-S316 PolarHBondContact O-N 3.32Å; N312-S316 PolarHBondContact O-OG 2.83Å; V313-S316 WeakPolarHBondContact CA-OG 3.47Å
317R97.6Very high98.3Very high52 Ų5240.9 Ų40.920%0.19622%0.224CC..THydrogen-bonded Turntrans-78.6-9175.575.8173.1-73.3-78.4-8.8115.9V313 I315 S319 S440 K441 E444V313-R317 WeakPolarHBondContact O-CB 3.49Å; V313-R317 WeakPolarHBondContact O-CG 3.5Å; V313-R317 PolarHBondContact O-N 2.92Å; I315-R317 PolarHBondContact O-N 2.98Å; I315-R317 VanDerWaalsContact O-N 3.13Å; R317-S319 PolarHBondContact O-N 3.18Å; R317-S440 WeakPolarHBondContact CD-OG 3.49Å; R317-S440 WeakPolarHBondContact CG-OG 3.4Å; R317-S440 PolarHBondContact NH1-O 3.16Å; R317-S440 PolarHBondContact NH1-OG 3.08Å; R317-K441 VanDerWaalsContact NH1-CA 3.34Å; R317-K441 VanDerWaalsContact NH1-N 3.17Å; R317-E444 PolarHBondContact NH1-O 2.97Å; R317-E444 PolarHBondContact NH2-O 3.45Å
318L98.3Very high98.3Very high0 Ų048.5 Ų48.50%026%0.257CS..  trans-7766.3-176.9-63.3175.7000110.7I271 L272 I315 Q320 T321 W322 S440 L443 E444I271-L318 HydrophobicContact CG2-CD1 4.13Å; L272-L318 HydrophobicContact CD2-CD1 4.14Å; I315-L318 HydrophobicContact CD1-CD1 4.4Å; I315-L318 WeakPolarHBondContact O-CB 3.4Å; I315-L318 PolarHBondContact O-N 3.41Å; L318-Q320 VanDerWaalsContact C-N 3.3Å; L318-Q320 PolarHBondContact O-N 2.75Å; L318-T321 WeakPolarHBondContact O-CA 3.42Å; L318-T321 WeakPolarHBondContact O-CB 3.48Å; L318-T321 PolarHBondContact O-N 3.12Å; L318-W322 PolarHBondContact O-N 3.17Å; L318-S440 WeakPolarHBondContact CD2-OG 3.36Å; L318-L443 HydrophobicContact CD2-CB 4.35Å; L318-E444 WeakPolarHBondContact CA-OE2 3.38Å; L318-E444 HydrophobicContact CD2-CB 3.95Å; L318-E444 HydrophobicContact CD2-CG 3.95Å
319S97.4Very high98.3Very high70 Ų7047.8 Ų47.849%0.4925%0.251SS..Hα-helixtrans-52.7-43.5-172.7-55.10000113.3R317 T321 W322 E323 E444R317-S319 PolarHBondContact O-N 3.18Å; S319-T321 VanDerWaalsContact C-N 3.3Å; S319-T321 PolarHBondContact O-N 3.35Å; S319-W322 PolarHBondContact O-N 3.22Å; S319-E323 WeakPolarHBondContact O-CB 3.24Å; S319-E323 VanDerWaalsContact O-CG 3.28Å; S319-E323 WeakPolarHBondContact O-CG 3.5Å; S319-E323 PolarHBondContact O-N 3.3Å; S319-E444 PolarHBondContact N-OE2 3.46Å
320Q98.1Very high98.3Very high85 Ų8552.4 Ų52.440%0.39727%0.269SS..Hα-helixtrans-66.3-36.8-179.2-53.9177.339.500110.9L277 L318 K324 E444L277-Q320 HydrophobicContact CD1-CB 4.09Å; L277-Q320 HydrophobicContact CD2-CB 4.38Å; L318-Q320 VanDerWaalsContact C-N 3.3Å; L318-Q320 PolarHBondContact O-N 2.75Å; Q320-K324 PolarHBondContact O-N 2.98Å; Q320-E444 HydrophobicContact CB-CG 4.43Å; Q320-E444 WeakPolarHBondContact CB-OE2 3.45Å; Q320-E444 PolarHBondContact N-OE2 3.08Å
321T98.5Very high98.3Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-63.8-49.9173.5-60.80000110.7R280 A281 V284 L318 S319 E323 K324 V325 E444R280-T321 HydrophobicContact CB-CG2 4.4Å; R280-T321 HydrophobicContact CG-CG2 3.96Å; R280-T321 PolarHBondContact NE-OG1 2.86Å; R280-T321 PolarHBondContact NH2-OG1 3.08Å; A281-T321 HydrophobicContact CB-CG2 4.13Å; V284-T321 HydrophobicContact CG2-CG2 3.96Å; L318-T321 WeakPolarHBondContact O-CA 3.42Å; L318-T321 WeakPolarHBondContact O-CB 3.48Å; L318-T321 PolarHBondContact O-N 3.12Å; S319-T321 VanDerWaalsContact C-N 3.3Å; S319-T321 PolarHBondContact O-N 3.35Å; T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 3.05Å; T321-K324 PolarHBondContact O-N 3.42Å; T321-K324 VanDerWaalsContact O-N 3.15Å; T321-V325 PolarHBondContact O-N 2.82Å; T321-E444 WeakPolarHBondContact CB-OE1 3.47Å; T321-E444 PolarHBondContact N-OE1 3.21Å; T321-E444 PolarHBondContact OG1-OE1 3.06Å
322W98.4Very high98.3Very high28 Ų2858.9 Ų58.911%0.10629%0.293CS..Hα-helixtrans-65.4-32.1-179-74.4109000113V284 I288 I315 L318 S319 K324 V325 R330 F333V284-W322 HydrophobicContact CG1-CE3 4.13Å; V284-W322 HydrophobicContact CG1-CH2 3.7Å; V284-W322 HydrophobicContact CG1-CZ2 4.24Å; V284-W322 HydrophobicContact CG1-CZ3 3.62Å; I288-W322 HydrophobicContact CD1-CZ3 4.35Å; I315-W322 HydrophobicContact CG2-CZ2 4.08Å; I315-W322 PolarHBondContact O-NE1 3.33Å; L318-W322 PolarHBondContact O-N 3.17Å; S319-W322 PolarHBondContact O-N 3.22Å; W322-K324 VanDerWaalsContact C-N 3.3Å; W322-K324 PolarHBondContact O-N 2.89Å; W322-V325 HydrophobicContact CE3-CB 4.35Å; W322-V325 HydrophobicContact CE3-CG2 4.29Å; W322-V325 WeakPolarHBondContact O-CA 3.41Å; W322-V325 WeakPolarHBondContact O-CB 3.36Å; W322-V325 PolarHBondContact O-N 3.49Å; W322-R330 HydrophobicContact CE3-CG 4.22Å; W322-R330 WeakPolarHBondContact O-CD 3.42Å; W322-F333 AromaticContact CH2-CD1 3.62Å; W322-F333 HydrophobicContact CH2-CD1 3.62Å; W322-F333 AromaticContact CH2-CE1 3.71Å; W322-F333 HydrophobicContact CH2-CE1 3.71Å; W322-F333 HydrophobicContact CH2-CG 4.18Å; W322-F333 HydrophobicContact CH2-CZ 4.34Å; W322-F333 HydrophobicContact CZ2-CE1 4.24Å; W322-F333 AromaticContact CZ3-CD1 3.95Å; W322-F333 HydrophobicContact CZ3-CD1 3.95Å; W322-F333 HydrophobicContact CZ3-CE1 4.45Å; W322-F333 HydrophobicContact CZ3-CG 4.44Å
323E97.7Very high98.3Very high138 Ų13858.6 Ų58.665%0.64529%0.291SS*.Hα-helixtrans-62.1-35.5172.8-78168.7-169.200112.5S319 T321 V325S319-E323 WeakPolarHBondContact O-CB 3.24Å; S319-E323 VanDerWaalsContact O-CG 3.28Å; S319-E323 WeakPolarHBondContact O-CG 3.5Å; S319-E323 PolarHBondContact O-N 3.3Å; T321-E323 VanDerWaalsContact C-N 3.32Å; T321-E323 PolarHBondContact O-N 3.05Å; E323-V325 VanDerWaalsContact C-N 3.27Å; E323-V325 PolarHBondContact O-N 3.49Å
324K98.1Very high98.3Very high99 Ų9961.5 Ų61.543%0.4330%0.298SS..Hα-helixtrans-76.9-11.4172.7-70.7-158.9179.1-175.30113.8L277 S278 A281 K285 Q320 T321 W322 S326L277-K324 HydrophobicContact CD2-CD 4.18Å; L277-K324 HydrophobicContact CG-CD 3.99Å; S278-K324 PolarHBondContact OG-NZ 3.26Å; A281-K324 HydrophobicContact CB-CB 3.58Å; K285-K324 WeakPolarHBondContact CE-O 3.28Å; K285-K324 PolarHBondContact NZ-O 2.72Å; Q320-K324 PolarHBondContact O-N 2.98Å; T321-K324 PolarHBondContact O-N 3.42Å; T321-K324 VanDerWaalsContact O-N 3.15Å; W322-K324 VanDerWaalsContact C-N 3.3Å; W322-K324 PolarHBondContact O-N 2.89Å; K324-S326 PolarHBondContact O-N 3.41Å
325V98.5Very high98.3Very high0 Ų065.9 Ų65.90%032%0.318CS..SBendtrans-80.4116.1170.7-177.20000109A281 V284 K285 I288 T321 W322 E323 F329 R330A281-V325 HydrophobicContact CB-CG2 4.29Å; V284-V325 HydrophobicContact CB-CG2 4.05Å; V284-V325 HydrophobicContact CG1-CG2 3.84Å; K285-V325 HydrophobicContact CG-CG1 3.98Å; K285-V325 HydrophobicContact CG-CG2 4.45Å; I288-V325 HydrophobicContact CD1-CG1 4.49Å; T321-V325 PolarHBondContact O-N 2.82Å; W322-V325 HydrophobicContact CE3-CB 4.35Å; W322-V325 HydrophobicContact CE3-CG2 4.29Å; W322-V325 WeakPolarHBondContact O-CA 3.41Å; W322-V325 WeakPolarHBondContact O-CB 3.36Å; W322-V325 PolarHBondContact O-N 3.49Å; E323-V325 VanDerWaalsContact C-N 3.27Å; E323-V325 PolarHBondContact O-N 3.49Å; V325-F329 HydrophobicContact CG1-CB 3.69Å; V325-R330 HydrophobicContact CB-CG 4.15Å; V325-R330 HydrophobicContact CG1-CG 3.95Å; V325-R330 PolarHBondContact O-NE 3.3Å
326S97.9Very high98.3Very high51 Ų5166.2 Ų66.236%0.35732%0.319SS..  trans-54.1145.2-178.763.10000111.6K324 K328 F329 R330K324-S326 PolarHBondContact O-N 3.41Å; S326-K328 PolarHBondContact O-N 2.98Å; S326-F329 PolarHBondContact O-N 3.41Å; S326-F329 VanDerWaalsContact OG-CD2 3.25Å; S326-F329 WeakPolarHBondContact OG-CD2 3.36Å; S326-R330 PolarHBondContact O-N 3.03Å
327T98.2Very high98.3Very high95 Ų9566.8 Ų66.858%0.58332%0.316SS*.Hα-helixtrans-52-34.5-177.8-50.10000113.7F329 R330 K331T327-F329 PolarHBondContact O-N 3.37Å; T327-R330 PolarHBondContact O-N 2.93Å; T327-R330 PolarHBondContact OG1-NH2 3.13Å; T327-R330 VanDerWaalsContact OG1-NH2 3.13Å; T327-K331 WeakPolarHBondContact O-CB 3.32Å; T327-K331 PolarHBondContact O-N 2.95Å
328K98.4Very high98.3Very high161 Ų16167 Ų6770%0.733%0.325SS*.Hα-helixtrans-54.6-50.9173.6179.6-179.7176.8177.40112.7S326 Q332S326-K328 PolarHBondContact O-N 2.98Å; K328-Q332 WeakPolarHBondContact O-CB 3.39Å; K328-Q332 PolarHBondContact O-N 3.26Å
329F98.6Very high98.3Very high34 Ų3468.6 Ų68.615%0.14933%0.333CS..Hα-helixtrans-71.4-35.6-179.4-76.1-64.2000112K285 I288 K289 V325 S326 T327 Q332 F333K285-F329 HydrophobicContact CB-CD2 4.33Å; K285-F329 HydrophobicContact CD-CD2 4.1Å; K285-F329 HydrophobicContact CD-CE2 4.38Å; K285-F329 HydrophobicContact CG-CD2 3.82Å; K285-F329 HydrophobicContact CG-CE2 4.34Å; K285-F329 HydrophobicContact CG-CG 4.22Å; I288-F329 HydrophobicContact CB-CD1 4.37Å; I288-F329 HydrophobicContact CD1-CB 4.05Å; I288-F329 HydrophobicContact CG2-CD1 3.88Å; K289-F329 HydrophobicContact CD-CE1 4.48Å; K289-F329 HydrophobicContact CD-CZ 4.44Å; K289-F329 VanDerWaalsContact CE-CZ 3.43Å; K289-F329 HydrophobicContact CG-CE1 3.8Å; K289-F329 HydrophobicContact CG-CZ 4.24Å; V325-F329 HydrophobicContact CG1-CB 3.69Å; S326-F329 PolarHBondContact O-N 3.41Å; S326-F329 VanDerWaalsContact OG-CD2 3.25Å; S326-F329 WeakPolarHBondContact OG-CD2 3.36Å; T327-F329 PolarHBondContact O-N 3.37Å; F329-Q332 PolarHBondContact O-N 3Å; F329-F333 WeakPolarHBondContact O-CB 3.41Å; F329-F333 PolarHBondContact O-N 3.26Å
330R98.5Very high98.2Very high97 Ų9766.3 Ų66.337%0.36632%0.316SS..Hα-helixtrans-62.1-45.1174.1-71.6-173-78.81685.2112.1W322 V325 S326 T327 F333 F334W322-R330 HydrophobicContact CE3-CG 4.22Å; W322-R330 WeakPolarHBondContact O-CD 3.42Å; V325-R330 HydrophobicContact CB-CG 4.15Å; V325-R330 HydrophobicContact CG1-CG 3.95Å; V325-R330 PolarHBondContact O-NE 3.3Å; S326-R330 PolarHBondContact O-N 3.03Å; T327-R330 PolarHBondContact O-N 2.93Å; T327-R330 PolarHBondContact OG1-NH2 3.13Å; T327-R330 VanDerWaalsContact OG1-NH2 3.13Å; R330-F333 PolarHBondContact O-N 3.32Å; R330-F334 PolarHBondContact O-N 3.45Å
331K98.5Very high98.1Very high138 Ų13865.5 Ų65.560%0.631%0.314SS*.Hα-helixtrans-62.1-45.2175.3-177178.8175.1-179.10111.6T327 F333 F334 E335T327-K331 WeakPolarHBondContact O-CB 3.32Å; T327-K331 PolarHBondContact O-N 2.95Å; K331-F333 VanDerWaalsContact C-N 3.31Å; K331-F333 PolarHBondContact O-N 3.25Å; K331-F334 PolarHBondContact O-N 2.93Å; K331-E335 WeakPolarHBondContact CE-OE1 3.37Å; K331-E335 WeakPolarHBondContact O-CG 3.26Å; K331-E335 PolarHBondContact O-N 3.27Å
332Q98.5Very high98Very high33 Ų3369.9 Ų69.915%0.15434%0.342CS..Hα-helixtrans-59.8-41.6176.3176.8163.154.500112.2I288 L292 K328 F329 E335 F336I288-Q332 HydrophobicContact CG2-CB 4.47Å; I288-Q332 HydrophobicContact CG2-CG 4.02Å; L292-Q332 VanDerWaalsContact CD2-NE2 3.3Å; K328-Q332 WeakPolarHBondContact O-CB 3.39Å; K328-Q332 PolarHBondContact O-N 3.26Å; F329-Q332 PolarHBondContact O-N 3Å; Q332-E335 WeakPolarHBondContact O-CB 3.46Å; Q332-E335 PolarHBondContact O-N 3.09Å; Q332-F336 HydrophobicContact CG-CD1 4.46Å; Q332-F336 HydrophobicContact CG-CE1 3.65Å; Q332-F336 HydrophobicContact CG-CE2 4.01Å; Q332-F336 HydrophobicContact CG-CZ 3.39Å; Q332-F336 WeakPolarHBondContact O-CD1 3.41Å; Q332-F336 VanDerWaalsContact O-CG 3.28Å; Q332-F336 WeakPolarHBondContact O-CG 3.4Å; Q332-F336 PolarHBondContact O-N 3Å; Q332-F336 VanDerWaalsContact O-N 3.15Å
333F98.7Very high97.9Very high12 Ų1271.8 Ų71.85%0.05336%0.36CS..Hα-helixtrans-65-43.6175.4176.7-114.8000112.3I288 T307 L310 S311 W322 F329 R330 K331 E335 F336 E337I288-F333 HydrophobicContact CD1-CB 3.95Å; I288-F333 HydrophobicContact CG1-CB 4.19Å; I288-F333 HydrophobicContact CG1-CD2 4.47Å; T307-F333 HydrophobicContact CG2-CE2 4.08Å; L310-F333 HydrophobicContact CB-CD2 4.22Å; L310-F333 HydrophobicContact CB-CE1 4.47Å; L310-F333 HydrophobicContact CB-CE2 3.37Å; L310-F333 HydrophobicContact CB-CZ 3.52Å; L310-F333 HydrophobicContact CD1-CD2 3.9Å; L310-F333 HydrophobicContact CD1-CE2 3.84Å; L310-F333 HydrophobicContact CG-CE2 4.26Å; S311-F333 WeakPolarHBondContact OG-CZ 3.42Å; W322-F333 AromaticContact CH2-CD1 3.62Å; W322-F333 HydrophobicContact CH2-CD1 3.62Å; W322-F333 AromaticContact CH2-CE1 3.71Å; W322-F333 HydrophobicContact CH2-CE1 3.71Å; W322-F333 HydrophobicContact CH2-CG 4.18Å; W322-F333 HydrophobicContact CH2-CZ 4.34Å; W322-F333 HydrophobicContact CZ2-CE1 4.24Å; W322-F333 AromaticContact CZ3-CD1 3.95Å; W322-F333 HydrophobicContact CZ3-CD1 3.95Å; W322-F333 HydrophobicContact CZ3-CE1 4.45Å; W322-F333 HydrophobicContact CZ3-CG 4.44Å; F329-F333 WeakPolarHBondContact O-CB 3.41Å; F329-F333 PolarHBondContact O-N 3.26Å; R330-F333 PolarHBondContact O-N 3.32Å; K331-F333 VanDerWaalsContact C-N 3.31Å; K331-F333 PolarHBondContact O-N 3.25Å; F333-E335 VanDerWaalsContact C-N 3.28Å; F333-E335 PolarHBondContact O-N 3.42Å; F333-F336 WeakPolarHBondContact O-CA 3.46Å; F333-F336 VanDerWaalsContact O-CB 3.27Å; F333-F336 WeakPolarHBondContact O-CB 3.38Å; F333-F336 PolarHBondContact O-N 3.06Å; F333-E337 HydrophobicContact CD1-CG 4.47Å; F333-E337 HydrophobicContact CE1-CG 3.95Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.31Å; F333-E337 HydrophobicContact CE2-CG 3.98Å; F333-E337 VanDerWaalsContact CZ-CD 3.49Å; F333-E337 HydrophobicContact CZ-CG 3.68Å; F333-E337 PolarHBondContact O-N 2.92Å
334F98.3Very high97.8Very high141 Ų14175 Ų7562%0.61837%0.367SS*.Hα-helixtrans-58.4-39.6174.4177.7-97.3000112.5R330 K331 F336 E337 S338R330-F334 PolarHBondContact O-N 3.45Å; K331-F334 PolarHBondContact O-N 2.93Å; F334-F336 VanDerWaalsContact C-N 3.26Å; F334-F336 PolarHBondContact O-N 3.01Å; F334-E337 PolarHBondContact O-N 3.4Å; F334-S338 PolarHBondContact O-N 3Å
335E98.4Very high97.7Very high91 Ų9173.8 Ų73.843%0.42536%0.364SS..Hα-helixtrans-60.4-37.2172.6-70.7167.8-166.600111.4K331 Q332 F333 S338K331-E335 WeakPolarHBondContact CE-OE1 3.37Å; K331-E335 WeakPolarHBondContact O-CG 3.26Å; K331-E335 PolarHBondContact O-N 3.27Å; Q332-E335 WeakPolarHBondContact O-CB 3.46Å; Q332-E335 PolarHBondContact O-N 3.09Å; F333-E335 VanDerWaalsContact C-N 3.28Å; F333-E335 PolarHBondContact O-N 3.42Å; E335-S338 PolarHBondContact O-OG 2.93Å
336F98.6Very high97.6Very high7 Ų775 Ų753%0.03137%0.37CS..Hα-helixtrans-66.3-46.3176.4-58.4-12.7000112.1I288 A291 L292 F303 T307 Q332 F333 F334 S338 L339I288-F336 HydrophobicContact CG2-CE2 3.9Å; A291-F336 HydrophobicContact CB-CD2 4.21Å; A291-F336 HydrophobicContact CB-CE2 3.91Å; L292-F336 HydrophobicContact CB-CZ 3.96Å; L292-F336 HydrophobicContact CD1-CE1 4.32Å; L292-F336 HydrophobicContact CD1-CZ 4.05Å; F303-F336 HydrophobicContact CE2-CB 3.77Å; F303-F336 AromaticContact CE2-CD1 3.62Å; F303-F336 HydrophobicContact CE2-CD1 3.62Å; F303-F336 AromaticContact CE2-CD2 3.65Å; F303-F336 HydrophobicContact CE2-CD2 3.65Å; F303-F336 HydrophobicContact CE2-CE1 4.04Å; F303-F336 HydrophobicContact CE2-CE2 4.05Å; F303-F336 AromaticContact CE2-CG 3.41Å; F303-F336 HydrophobicContact CE2-CG 3.41Å; F303-F336 VanDerWaalsContact CE2-CG 3.41Å; F303-F336 HydrophobicContact CE2-CZ 4.23Å; F303-F336 HydrophobicContact CZ-CB 3.66Å; F303-F336 AromaticContact CZ-CD1 3.75Å; F303-F336 HydrophobicContact CZ-CD1 3.75Å; F303-F336 HydrophobicContact CZ-CD2 4.38Å; F303-F336 HydrophobicContact CZ-CE1 4.47Å; F303-F336 AromaticContact CZ-CG 3.7Å; F303-F336 HydrophobicContact CZ-CG 3.7Å; T307-F336 HydrophobicContact CG2-CB 3.94Å; Q332-F336 HydrophobicContact CG-CD1 4.46Å; Q332-F336 HydrophobicContact CG-CE1 3.65Å; Q332-F336 HydrophobicContact CG-CE2 4.01Å; Q332-F336 HydrophobicContact CG-CZ 3.39Å; Q332-F336 WeakPolarHBondContact O-CD1 3.41Å; Q332-F336 VanDerWaalsContact O-CG 3.28Å; Q332-F336 WeakPolarHBondContact O-CG 3.4Å; Q332-F336 PolarHBondContact O-N 3Å; Q332-F336 VanDerWaalsContact O-N 3.15Å; F333-F336 WeakPolarHBondContact O-CA 3.46Å; F333-F336 VanDerWaalsContact O-CB 3.27Å; F333-F336 WeakPolarHBondContact O-CB 3.38Å; F333-F336 PolarHBondContact O-N 3.06Å; F334-F336 VanDerWaalsContact C-N 3.26Å; F334-F336 PolarHBondContact O-N 3.01Å; F336-S338 VanDerWaalsContact C-N 3.29Å; F336-S338 PolarHBondContact O-N 2.94Å; F336-L339 WeakPolarHBondContact O-CB 3.46Å; F336-L339 PolarHBondContact O-N 3.23Å; F336-L339 VanDerWaalsContact O-N 3.15Å
337E98Very high97.6Very high71 Ų7179 Ų7933%0.33238%0.377SS..Hα-helixtrans-58.8-41.8177.5-66.5-173113.200111.6T307 S311 F333 F334 L339 L340T307-E337 HydrophobicContact CG2-CG 4.1Å; S311-E337 WeakPolarHBondContact CB-OE1 3.48Å; S311-E337 WeakPolarHBondContact OG-CG 3.45Å; S311-E337 PolarHBondContact OG-OE1 3.32Å; F333-E337 HydrophobicContact CD1-CG 4.47Å; F333-E337 HydrophobicContact CE1-CG 3.95Å; F333-E337 WeakPolarHBondContact CE1-OE2 3.31Å; F333-E337 HydrophobicContact CE2-CG 3.98Å; F333-E337 VanDerWaalsContact CZ-CD 3.49Å; F333-E337 HydrophobicContact CZ-CG 3.68Å; F333-E337 PolarHBondContact O-N 2.92Å; F334-E337 PolarHBondContact O-N 3.4Å; E337-L339 PolarHBondContact O-N 3.07Å; E337-L339 VanDerWaalsContact O-N 3.09Å; E337-L340 PolarHBondContact O-N 3.15Å
338S98.1Very high97.6Very high57 Ų5776 Ų7640%0.39936%0.362SS..Hα-helixtrans-60.5-22.1179.8780000114F334 E335 F336 L340 D341 A348F334-S338 PolarHBondContact O-N 3Å; E335-S338 PolarHBondContact O-OG 2.93Å; F336-S338 VanDerWaalsContact C-N 3.29Å; F336-S338 PolarHBondContact O-N 2.94Å; S338-L340 VanDerWaalsContact C-N 3.32Å; S338-D341 WeakPolarHBondContact O-CB 3.32Å; S338-D341 PolarHBondContact O-N 3.37Å; S338-A348 WeakPolarHBondContact O-CB 3.34Å
339L98.1Very high97.6Very high32 Ų3268.7 Ų68.717%0.16833%0.33CS..THydrogen-bonded Turntrans-74.6-21.1177.7-66.3169.3000112.9K295 F303 F304 F336 E337 Y349 L352K295-L339 HydrophobicContact CD-CD1 4.49Å; F303-L339 HydrophobicContact CE1-CD1 3.82Å; F303-L339 HydrophobicContact CZ-CD1 3.82Å; F304-L339 HydrophobicContact CE1-CB 3.92Å; F304-L339 HydrophobicContact CZ-CB 4.01Å; F336-L339 WeakPolarHBondContact O-CB 3.46Å; F336-L339 PolarHBondContact O-N 3.23Å; F336-L339 VanDerWaalsContact O-N 3.15Å; E337-L339 PolarHBondContact O-N 3.07Å; E337-L339 VanDerWaalsContact O-N 3.09Å; L339-Y349 WeakPolarHBondContact O-CA 3.27Å; L339-Y349 WeakPolarHBondContact O-CB 3.49Å; L339-Y349 PolarHBondContact O-N 3.04Å; L339-Y349 VanDerWaalsContact O-N 3.08Å; L339-L352 HydrophobicContact CD1-CD2 4.22Å; L339-L352 HydrophobicContact CD2-CD2 4.45Å
340L95.5Very high97.5Very high23 Ų2371.7 Ų71.712%0.1234%0.341CS..THydrogen-bonded Turntrans-96.73.7173.9-74.7-177.6000114.3F304 L308 E337 S338 P342 H346 F363F304-L340 HydrophobicContact CB-CD1 4.08Å; F304-L340 HydrophobicContact CD1-CD1 3.39Å; F304-L340 HydrophobicContact CD1-CD2 3.52Å; F304-L340 HydrophobicContact CD1-CG 3.24Å; F304-L340 HydrophobicContact CD2-CD2 4.08Å; F304-L340 HydrophobicContact CE1-CB 4.49Å; F304-L340 HydrophobicContact CE1-CD1 4.04Å; F304-L340 HydrophobicContact CE1-CD2 3.55Å; F304-L340 HydrophobicContact CE1-CG 3.34Å; F304-L340 HydrophobicContact CE2-CD2 4.14Å; F304-L340 HydrophobicContact CG-CD1 3.93Å; F304-L340 HydrophobicContact CG-CD2 3.78Å; F304-L340 HydrophobicContact CG-CG 3.97Å; F304-L340 HydrophobicContact CZ-CD2 3.85Å; F304-L340 HydrophobicContact CZ-CG 4.14Å; L308-L340 HydrophobicContact CD1-CD1 4.2Å; L308-L340 HydrophobicContact CD2-CD1 3.73Å; L308-L340 HydrophobicContact CG-CD1 3.84Å; E337-L340 PolarHBondContact O-N 3.15Å; S338-L340 VanDerWaalsContact C-N 3.32Å; L340-P342 VanDerWaalsContact O-N 3.1Å; L340-H346 PolarHBondContact O-ND1 3.16Å; L340-F363 HydrophobicContact CD2-CD1 3.78Å; L340-F363 HydrophobicContact CD2-CE1 3.71Å; L340-F363 HydrophobicContact CD2-CG 4.41Å; L340-F363 HydrophobicContact CD2-CZ 4.29Å
341D96.7Very high97.4Very high67 Ų6771.1 Ų71.136%0.35835%0.345SS..  trans-46119.4-179.4178.9-0.9000111S338 S343 H346S338-D341 WeakPolarHBondContact O-CB 3.32Å; S338-D341 PolarHBondContact O-N 3.37Å; D341-S343 PolarHBondContact O-N 3.34Å; D341-S343 VanDerWaalsContact O-N 3.17Å; D341-S343 WeakPolarHBondContact OD1-CB 3.43Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 PolarHBondContact OD1-OG 3.5Å; D341-S343 WeakPolarHBondContact OD2-CB 3.49Å; D341-S343 PolarHBondContact OD2-OG 3Å; D341-H346 WeakPolarHBondContact O-CA 3.43Å
342P96Very high97.4Very high92 Ų9265.8 Ų65.860%0.59732%0.322SS*.  trans-66.3-14.9-178.327.9-35.8000113.3L340 R344 N345 H346L340-P342 VanDerWaalsContact O-N 3.1Å; P342-R344 PolarHBondContact O-N 2.99Å; P342-N345 PolarHBondContact O-N 3.37Å; P342-N345 VanDerWaalsContact O-N 3.17Å; P342-H346 PolarHBondContact O-N 3.35Å
343S96.8Very high97.3Very high68 Ų6864.9 Ų64.948%0.47632%0.319SS..Hα-helixtrans-51.6134.5179.5-60.80000112.1D341 N345 H346 R347D341-S343 PolarHBondContact O-N 3.34Å; D341-S343 VanDerWaalsContact O-N 3.17Å; D341-S343 WeakPolarHBondContact OD1-CB 3.43Å; D341-S343 PolarHBondContact OD1-N 3.35Å; D341-S343 PolarHBondContact OD1-OG 3.5Å; D341-S343 WeakPolarHBondContact OD2-CB 3.49Å; D341-S343 PolarHBondContact OD2-OG 3Å; S343-N345 PolarHBondContact O-N 3.34Å; S343-H346 PolarHBondContact O-N 3.27Å; S343-R347 PolarHBondContact O-N 2.88Å
344R95.7Very high97.1Very high207 Ų20768.4 Ų68.478%0.78135%0.35SS*.Hα-helixtrans52.642-179.3-56.3-179.2178.8-171.7-0.7112.5P342 R347P342-R344 PolarHBondContact O-N 2.99Å; R344-R347 HydrophobicContact CB-CB 4Å
345N94.9Very high96.9Very high72 Ų7270 Ų7039%0.38536%0.357SS..Hα-helixtrans55.653.5-179.6-167.727.1000113.4P342 S343 R350 K369P342-N345 PolarHBondContact O-N 3.37Å; P342-N345 VanDerWaalsContact O-N 3.17Å; S343-N345 PolarHBondContact O-N 3.34Å; N345-R350 PolarHBondContact ND2-NH2 3.16Å; N345-R350 PolarHBondContact O-NE 2.84Å; N345-K369 PolarHBondContact OD1-NZ 3.34Å
346H97.4Very high96.8Very high26 Ų2667 Ų6712%0.1234%0.343CS..Hα-helixtrans60.146.9-179.9-52.5-84.7000113.8L340 D341 P342 S343 A348 Y349 R350 L366 K369L340-H346 PolarHBondContact O-ND1 3.16Å; D341-H346 WeakPolarHBondContact O-CA 3.43Å; P342-H346 PolarHBondContact O-N 3.35Å; S343-H346 PolarHBondContact O-N 3.27Å; H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 PolarHBondContact O-N 3.21Å; H346-Y349 PolarHBondContact O-N 3.18Å; H346-R350 WeakPolarHBondContact O-CG 3.42Å; H346-R350 PolarHBondContact O-N 2.71Å; H346-L366 HydrophobicContact CB-CD2 3.76Å; H346-L366 WeakPolarHBondContact CD2-CD1 3.45Å; H346-K369 PolarHBondContact CD2-NZ 3.17Å; H346-K369 PolarHBondContact NE2-NZ 3.43Å
347R98Very high96.5Very high134 Ų13470.4 Ų70.451%0.50637%0.368SS..Hα-helixtrans-56.2-40.8-179.2179.2178.7177.799.5-0.9112.6S343 R344 R350 L351S343-R347 PolarHBondContact O-N 2.88Å; R344-R347 HydrophobicContact CB-CB 4Å; R347-R350 PolarHBondContact O-N 2.93Å; R347-L351 HydrophobicContact CG-CD1 3.98Å; R347-L351 HydrophobicContact CG-CG 4.27Å; R347-L351 WeakPolarHBondContact O-CG 3.35Å; R347-L351 PolarHBondContact O-N 2.76Å
348A98Very high96.4Very high32 Ų3269 Ų6926%0.26437%0.366SS..Hα-helixtrans-60.9-48.8-179.500000111.6S338 H346 R350 L351 L352S338-A348 WeakPolarHBondContact O-CB 3.34Å; H346-A348 VanDerWaalsContact C-N 3.28Å; H346-A348 PolarHBondContact O-N 3.21Å; A348-R350 PolarHBondContact O-N 3.45Å; A348-L351 PolarHBondContact O-N 3.47Å; A348-L352 PolarHBondContact O-N 2.93Å
349Y98Very high96.3Very high9 Ų967.6 Ų67.64%0.03536%0.355CS..Hα-helixtrans-56.9-47.8172.6174.9-93000112.1L300 F304 L339 H346 L351 L352 V353 F363 L366L300-Y349 HydrophobicContact CD1-CE2 4.11Å; F304-Y349 HydrophobicContact CD2-CD2 4.37Å; F304-Y349 HydrophobicContact CD2-CE2 4.22Å; F304-Y349 AromaticContact CE2-CD2 3.46Å; F304-Y349 HydrophobicContact CE2-CD2 3.46Å; F304-Y349 VanDerWaalsContact CE2-CD2 3.46Å; F304-Y349 AromaticContact CE2-CE2 3.56Å; F304-Y349 HydrophobicContact CE2-CE2 3.56Å; F304-Y349 AromaticContact CZ-CD2 3.82Å; F304-Y349 HydrophobicContact CZ-CD2 3.82Å; F304-Y349 HydrophobicContact CZ-CE2 4.37Å; L339-Y349 WeakPolarHBondContact O-CA 3.27Å; L339-Y349 WeakPolarHBondContact O-CB 3.49Å; L339-Y349 PolarHBondContact O-N 3.04Å; L339-Y349 VanDerWaalsContact O-N 3.08Å; H346-Y349 PolarHBondContact O-N 3.18Å; Y349-L351 VanDerWaalsContact C-N 3.32Å; Y349-L351 PolarHBondContact O-N 3.27Å; Y349-L352 WeakPolarHBondContact O-CB 3.37Å; Y349-L352 PolarHBondContact O-N 2.79Å; Y349-L352 VanDerWaalsContact O-N 3.1Å; Y349-V353 HydrophobicContact CD1-CG2 4.1Å; Y349-V353 HydrophobicContact CD2-CG2 4.3Å; Y349-V353 HydrophobicContact CE1-CG2 3.6Å; Y349-V353 HydrophobicContact CE2-CG2 3.8Å; Y349-V353 HydrophobicContact CG-CG2 4.43Å; Y349-V353 VanDerWaalsContact CZ-CG2 3.44Å; Y349-V353 WeakPolarHBondContact O-CG2 3.32Å; Y349-V353 PolarHBondContact O-N 2.96Å; Y349-F363 HydrophobicContact CD2-CB 4.34Å; Y349-F363 HydrophobicContact CE2-CB 3.45Å; Y349-F363 VanDerWaalsContact CE2-CB 3.45Å; Y349-F363 HydrophobicContact CE2-CG 4.42Å; Y349-F363 PolarHBondContact OH-N 3.06Å; Y349-L366 HydrophobicContact CD1-CD2 3.31Å; Y349-L366 HydrophobicContact CE1-CD2 3.6Å; Y349-L366 HydrophobicContact CG-CD2 3.94Å
350R96.6Very high96.2Very high96 Ų9666.2 Ų66.236%0.36235%0.348SS..Hα-helixtrans-62.6-39.2-178.4-67.2-174.9-167.9-89.2-3.5112N345 H346 R347 A348 L352 A354 D370N345-R350 PolarHBondContact ND2-NH2 3.16Å; N345-R350 PolarHBondContact O-NE 2.84Å; H346-R350 WeakPolarHBondContact O-CG 3.42Å; H346-R350 PolarHBondContact O-N 2.71Å; R347-R350 PolarHBondContact O-N 2.93Å; A348-R350 PolarHBondContact O-N 3.45Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-A354 VanDerWaalsContact O-CB 3.32Å; R350-A354 WeakPolarHBondContact O-CB 3.34Å; R350-A354 PolarHBondContact O-N 3.29Å; R350-D370 IonicContact CZ-OD2 3.56Å; R350-D370 IonicContact NH1-OD2 2.82Å; R350-D370 PolarHBondContact NH1-OD2 3.26Å; R350-D370 VanDerWaalsContact NH2-CG 3.25Å; R350-D370 IonicContact NH2-OD1 2.68Å; R350-D370 PolarHBondContact NH2-OD1 3.06Å; R350-D370 IonicContact NH2-OD2 3.82Å; R350-D370 PolarHBondContact NH2-OD2 2.87Å
351L97.5Very high96.4Very high86 Ų8665.2 Ų65.245%0.4534%0.342SS..Hα-helixtrans-68.3-32.4174.7-71.3175.1000112.9R347 A348 Y349 K355R347-L351 HydrophobicContact CG-CD1 3.98Å; R347-L351 HydrophobicContact CG-CG 4.27Å; R347-L351 WeakPolarHBondContact O-CG 3.35Å; R347-L351 PolarHBondContact O-N 2.76Å; A348-L351 PolarHBondContact O-N 3.47Å; Y349-L351 VanDerWaalsContact C-N 3.32Å; Y349-L351 PolarHBondContact O-N 3.27Å; L351-K355 WeakPolarHBondContact O-CG 3.48Å
352L97.1Very high96.4Very high26 Ų2662 Ų6214%0.13633%0.325CS..Hα-helixtrans-65.1-54.6173173.266.4000110.1L300 F304 L339 A348 Y349 R350 A354 K355 I356L300-L352 HydrophobicContact CD1-CD2 4.45Å; L300-L352 HydrophobicContact CD2-CD2 3.95Å; F304-L352 HydrophobicContact CZ-CD2 4.35Å; L339-L352 HydrophobicContact CD1-CD2 4.22Å; L339-L352 HydrophobicContact CD2-CD2 4.45Å; A348-L352 PolarHBondContact O-N 2.93Å; Y349-L352 WeakPolarHBondContact O-CB 3.37Å; Y349-L352 PolarHBondContact O-N 2.79Å; Y349-L352 VanDerWaalsContact O-N 3.1Å; R350-L352 VanDerWaalsContact C-N 3.34Å; L352-A354 VanDerWaalsContact C-N 3.32Å; L352-A354 PolarHBondContact O-N 2.88Å; L352-K355 PolarHBondContact O-N 3.02Å; L352-K355 VanDerWaalsContact O-N 3.12Å; L352-I356 HydrophobicContact CD1-CD1 4.05Å; L352-I356 HydrophobicContact CG-CD1 4Å; L352-I356 WeakPolarHBondContact O-CG1 3.36Å
353V96.1Very high96.5Very high13 Ų1358.5 Ų58.58%0.07930%0.301CS..Hα-helixtrans-62-38.7-177.1175.30000112.1L300 Y349 K355 I356 Y404L300-V353 HydrophobicContact CD1-CG2 3.65Å; Y349-V353 HydrophobicContact CD1-CG2 4.1Å; Y349-V353 HydrophobicContact CD2-CG2 4.3Å; Y349-V353 HydrophobicContact CE1-CG2 3.6Å; Y349-V353 HydrophobicContact CE2-CG2 3.8Å; Y349-V353 HydrophobicContact CG-CG2 4.43Å; Y349-V353 VanDerWaalsContact CZ-CG2 3.44Å; Y349-V353 WeakPolarHBondContact O-CG2 3.32Å; Y349-V353 PolarHBondContact O-N 2.96Å; V353-K355 PolarHBondContact O-N 3.22Å; V353-I356 PolarHBondContact O-N 2.89Å; V353-Y404 HydrophobicContact CG1-CE1 3.79Å; V353-Y404 VanDerWaalsContact CG1-OH 3.25Å; V353-Y404 WeakPolarHBondContact CG1-OH 3.45Å
354A95.1Very high96.4Very high86 Ų8655.4 Ų55.471%0.71128%0.279SS*.THydrogen-bonded Turntrans-61.2-17.2178.100000114.4R350 L352R350-A354 VanDerWaalsContact O-CB 3.32Å; R350-A354 WeakPolarHBondContact O-CB 3.34Å; R350-A354 PolarHBondContact O-N 3.29Å; L352-A354 VanDerWaalsContact C-N 3.32Å; L352-A354 PolarHBondContact O-N 2.88Å
355K95.4Very high96.4Very high175 Ų17547.8 Ų47.876%0.76126%0.256SS*.THydrogen-bonded Turntrans-97.2-7.5178.5-66.3174.9-177.7-1770113.5L351 L352 V353L351-K355 WeakPolarHBondContact O-CG 3.48Å; L352-K355 PolarHBondContact O-N 3.02Å; L352-K355 VanDerWaalsContact O-N 3.12Å; V353-K355 PolarHBondContact O-N 3.22Å
356I94.7Very high96.4Very high27 Ų2744.5 Ų44.514%0.13824%0.239CC..PPolyproline II helixtrans-100.9127.5-173.7-59.8170000109.1H298 L300 L352 V353 V360H298-I356 HydrophobicContact CB-CG2 3.94Å; H298-I356 VanDerWaalsContact CG-CG2 3.42Å; H298-I356 VanDerWaalsContact ND1-CG2 3.35Å; H298-I356 WeakPolarHBondContact ND1-CG2 3.15Å; L300-I356 HydrophobicContact CD1-CD1 4.15Å; L300-I356 HydrophobicContact CD2-CD1 4.3Å; L352-I356 HydrophobicContact CD1-CD1 4.05Å; L352-I356 HydrophobicContact CG-CD1 4Å; L352-I356 WeakPolarHBondContact O-CG1 3.36Å; V353-I356 PolarHBondContact O-N 2.89Å; I356-V360 HydrophobicContact CB-CG2 4.11Å; I356-V360 HydrophobicContact CG2-CG2 3.29Å
357S93.6Very high96.4Very high80 Ų8043.9 Ų43.956%0.55924%0.236SC*.PPolyproline II helixtrans-82.3147.2169.455.30000111
358P94.8Very high96.3Very high42 Ų4238.9 Ų38.927%0.27322%0.219SC..SBendtrans-53.5145.3171.6-24.734.3000112.2A403 A406 H407P358-A403 VanDerWaalsContact CB-O 3.24Å; P358-A403 WeakPolarHBondContact CB-O 3.45Å; P358-A403 WeakPolarHBondContact CG-O 3.39Å; P358-A406 HydrophobicContact CB-CB 4.07Å; P358-A406 HydrophobicContact CG-CB 4.4Å; P358-H407 PolarHBondContact O-ND1 3.26Å
359P96.3Very high96.3Very high27 Ų2741.7 Ų41.718%0.17523%0.225CC..PPolyproline II helixcis-80.9148.46.227.5-26.5000114W224 H298 Y404 H407 P409W224-P359 HydrophobicContact CH2-CB 3.57Å; W224-P359 HydrophobicContact CZ2-CB 4.48Å; W224-P359 HydrophobicContact CZ3-CB 3.63Å; H298-P359 WeakPolarHBondContact CB-O 3.48Å; P359-Y404 WeakPolarHBondContact CA-O 3.47Å; P359-H407 WeakPolarHBondContact CB-O 3.5Å; P359-P409 VanDerWaalsContact CG-CA 3.5Å; P359-P409 HydrophobicContact CG-CB 4.15Å
360V96.9Very high96.2Very high2 Ų242.4 Ų42.41%0.01223%0.23CC..  trans-140.9134.8173.3-172.50000108.9F227 H298 L300 I356 P362 Y404F227-V360 WeakPolarHBondContact CE1-O 3.43Å; H298-V360 HydrophobicContact CB-CG2 4.33Å; L300-V360 HydrophobicContact CD1-CG1 3.93Å; L300-V360 HydrophobicContact CG-CG1 4.11Å; I356-V360 HydrophobicContact CB-CG2 4.11Å; I356-V360 HydrophobicContact CG2-CG2 3.29Å; V360-P362 WeakPolarHBondContact O-CD 3.39Å; V360-Y404 HydrophobicContact CB-CD1 4.07Å; V360-Y404 HydrophobicContact CB-CG 4.36Å; V360-Y404 HydrophobicContact CG2-CD1 4.35Å; V360-Y404 PolarHBondContact N-O 3.45Å; V360-Y404 WeakPolarHBondContact O-CB 3.48Å
361I98.1Very high96.3Very high2 Ų237.8 Ų37.81%0.0121%0.213CC..BIsolated β-bridgetrans-95107.5164.7-49.7179.8000106.9L220 H223 W224 F227 F256 H298 D299 L300 F301L220-I361 HydrophobicContact CD1-CD1 3.95Å; H223-I361 HydrophobicContact CB-CD1 3.9Å; W224-I361 HydrophobicContact CB-CD1 4.03Å; W224-I361 HydrophobicContact CE3-CD1 4.11Å; W224-I361 HydrophobicContact CE3-CG1 3.68Å; W224-I361 HydrophobicContact CZ3-CG1 4.24Å; F227-I361 HydrophobicContact CB-CG2 4.16Å; F227-I361 HydrophobicContact CD1-CG1 4.3Å; F227-I361 HydrophobicContact CD1-CG2 4.23Å; F227-I361 HydrophobicContact CG-CG2 4.18Å; F256-I361 HydrophobicContact CE2-CG2 4.36Å; F256-I361 HydrophobicContact CZ-CG2 3.66Å; H298-I361 PolarHBondContact O-N 3.33Å; D299-I361 HydrophobicContact CB-CD1 4.43Å; L300-I361 WeakPolarHBondContact CA-O 3.42Å; L300-I361 VanDerWaalsContact CB-O 3.28Å; L300-I361 WeakPolarHBondContact CB-O 3.45Å; L300-I361 PolarHBondContact N-O 2.67Å; F301-I361 HydrophobicContact CB-CB 4.13Å; F301-I361 HydrophobicContact CB-CG2 3.47Å; F301-I361 VanDerWaalsContact CB-CG2 3.47Å; F301-I361 HydrophobicContact CD2-CG2 4.49Å; F301-I361 HydrophobicContact CG-CG2 4.15Å; F301-I361 PolarHBondContact N-O 3.15Å
362P97.4Very high96.3Very high0 Ų037.1 Ų37.10%021%0.209CC..  trans-76165.1-171.432.9-37.7000112.3F227 V360 I364 L367 L401 Y404F227-P362 HydrophobicContact CE2-CG 4.23Å; F227-P362 HydrophobicContact CZ-CG 4.11Å; V360-P362 WeakPolarHBondContact O-CD 3.39Å; P362-I364 VanDerWaalsContact C-N 3.33Å; P362-I364 HydrophobicContact CG-CD1 3.86Å; P362-I364 PolarHBondContact O-N 2.9Å; P362-L367 HydrophobicContact CB-CD1 3.95Å; P362-L367 HydrophobicContact CG-CD1 3.78Å; P362-L401 HydrophobicContact CG-CD1 4.37Å; P362-Y404 HydrophobicContact CB-CD2 3.94Å; P362-Y404 HydrophobicContact CB-CE2 3.88Å; P362-Y404 HydrophobicContact CG-CD2 3.8Å; P362-Y404 HydrophobicContact CG-CE2 4.17Å
363F97.3Very high96.3Very high19 Ų1943.1 Ų43.18%0.08323%0.234CC..  trans-73.187.7166-177.6-131.7000110F260 F304 L308 L340 Y349 P365 L366F260-F363 HydrophobicContact CE1-CE2 4.1Å; F260-F363 AromaticContact CE2-CD2 3.88Å; F260-F363 HydrophobicContact CE2-CD2 3.88Å; F260-F363 AromaticContact CE2-CE2 3.89Å; F260-F363 HydrophobicContact CE2-CE2 3.89Å; F260-F363 AromaticContact CZ-CD2 3.91Å; F260-F363 HydrophobicContact CZ-CD2 3.91Å; F260-F363 AromaticContact CZ-CE2 3.42Å; F260-F363 HydrophobicContact CZ-CE2 3.42Å; F260-F363 VanDerWaalsContact CZ-CE2 3.42Å; F304-F363 HydrophobicContact CB-CD2 3.92Å; F304-F363 HydrophobicContact CB-CE2 4.28Å; F304-F363 HydrophobicContact CB-CG 4.47Å; F304-F363 HydrophobicContact CD2-CB 3.85Å; F304-F363 HydrophobicContact CD2-CD2 4.33Å; F304-F363 HydrophobicContact CD2-CG 4.08Å; F304-F363 HydrophobicContact CE2-CB 4.39Å; F304-F363 HydrophobicContact CG-CD2 4.44Å; L308-F363 HydrophobicContact CD1-CE2 4.26Å; L308-F363 HydrophobicContact CD1-CZ 4.34Å; L340-F363 HydrophobicContact CD2-CD1 3.78Å; L340-F363 HydrophobicContact CD2-CE1 3.71Å; L340-F363 HydrophobicContact CD2-CG 4.41Å; L340-F363 HydrophobicContact CD2-CZ 4.29Å; Y349-F363 HydrophobicContact CD2-CB 4.34Å; Y349-F363 HydrophobicContact CE2-CB 3.45Å; Y349-F363 VanDerWaalsContact CE2-CB 3.45Å; Y349-F363 HydrophobicContact CE2-CG 4.42Å; Y349-F363 PolarHBondContact OH-N 3.06Å; F363-P365 VanDerWaalsContact C-CD 3.45Å; F363-P365 HydrophobicContact CD2-CG 4.07Å; F363-P365 HydrophobicContact CE1-CB 4.31Å; F363-P365 HydrophobicContact CE2-CB 3.89Å; F363-P365 HydrophobicContact CE2-CG 3.55Å; F363-P365 HydrophobicContact CZ-CB 3.78Å; F363-P365 HydrophobicContact CZ-CG 3.98Å; F363-L366 HydrophobicContact CD1-CB 3.59Å; F363-L366 HydrophobicContact CD1-CD2 4.48Å; F363-L366 HydrophobicContact CE1-CB 3.96Å; F363-L366 PolarHBondContact O-N 2.8Å
364I95.5Very high96.4Very high2 Ų243.2 Ų43.21%0.0123%0.234CC..Hα-helixtrans-52.9-41.5-175.6-65.4-68.1000114.4F227 L253 F256 V257 F301 P362 L366 L367 L368 L401F227-I364 HydrophobicContact CE2-CD1 4.39Å; L253-I364 HydrophobicContact CD1-CG2 4.1Å; F256-I364 HydrophobicContact CD1-CD1 4.29Å; F256-I364 HydrophobicContact CD1-CG1 3.9Å; F256-I364 HydrophobicContact CE1-CD1 3.68Å; F256-I364 HydrophobicContact CE1-CG1 3.31Å; F256-I364 HydrophobicContact CZ-CG1 3.97Å; V257-I364 HydrophobicContact CG2-CG2 4.16Å; F301-I364 HydrophobicContact CD2-CG1 4.46Å; P362-I364 VanDerWaalsContact C-N 3.33Å; P362-I364 HydrophobicContact CG-CD1 3.86Å; P362-I364 PolarHBondContact O-N 2.9Å; I364-L366 PolarHBondContact O-N 2.88Å; I364-L366 VanDerWaalsContact O-N 3.14Å; I364-L367 HydrophobicContact CD1-CD1 4.23Å; I364-L367 WeakPolarHBondContact O-CB 3.28Å; I364-L367 PolarHBondContact O-N 3.01Å; I364-L368 HydrophobicContact CG2-CD1 3.9Å; I364-L368 HydrophobicContact CG2-CG 4.07Å; I364-L368 PolarHBondContact O-N 3.45Å; I364-L401 HydrophobicContact CD1-CD1 4.14Å
365P95.9Very high96.5Very high47 Ų4740.7 Ų40.731%0.30521%0.208SC..Hα-helixtrans-53.7-36.2179-30.237.1000114F260 F363 K369F260-P365 HydrophobicContact CD1-CG 4.29Å; F260-P365 HydrophobicContact CE1-CG 4.26Å; F363-P365 VanDerWaalsContact C-CD 3.45Å; F363-P365 HydrophobicContact CD2-CG 4.07Å; F363-P365 HydrophobicContact CE1-CB 4.31Å; F363-P365 HydrophobicContact CE2-CB 3.89Å; F363-P365 HydrophobicContact CE2-CG 3.55Å; F363-P365 HydrophobicContact CZ-CB 3.78Å; F363-P365 HydrophobicContact CZ-CG 3.98Å; P365-K369 WeakPolarHBondContact O-CB 3.28Å; P365-K369 PolarHBondContact O-N 2.93Å
366L96Very high96.5Very high4 Ų439.2 Ų39.22%0.02120%0.203CC..Hα-helixtrans-72.2-34.8176.9-179.955000112.5H346 Y349 F363 I364 K369 D370H346-L366 HydrophobicContact CB-CD2 3.76Å; H346-L366 WeakPolarHBondContact CD2-CD1 3.45Å; Y349-L366 HydrophobicContact CD1-CD2 3.31Å; Y349-L366 HydrophobicContact CE1-CD2 3.6Å; Y349-L366 HydrophobicContact CG-CD2 3.94Å; F363-L366 HydrophobicContact CD1-CB 3.59Å; F363-L366 HydrophobicContact CD1-CD2 4.48Å; F363-L366 HydrophobicContact CE1-CB 3.96Å; F363-L366 PolarHBondContact O-N 2.8Å; I364-L366 PolarHBondContact O-N 2.88Å; I364-L366 VanDerWaalsContact O-N 3.14Å; L366-K369 HydrophobicContact CD1-CD 3.87Å; L366-K369 PolarHBondContact O-N 3.34Å; L366-D370 PolarHBondContact O-N 2.99Å
367L95.8Very high96.6Very high12 Ų1240.7 Ų40.76%0.06323%0.225CC..Hα-helixtrans-66-41.7174.1-67.3177000111.6P362 I364 D370 L371 T397 L401 Y404P362-L367 HydrophobicContact CB-CD1 3.95Å; P362-L367 HydrophobicContact CG-CD1 3.78Å; I364-L367 HydrophobicContact CD1-CD1 4.23Å; I364-L367 WeakPolarHBondContact O-CB 3.28Å; I364-L367 PolarHBondContact O-N 3.01Å; L367-D370 PolarHBondContact O-N 2.83Å; L367-L371 WeakPolarHBondContact O-CG 3.26Å; L367-L371 PolarHBondContact O-N 2.68Å; L367-T397 HydrophobicContact CD2-CG2 4.1Å; L367-L401 HydrophobicContact CD1-CD1 3.72Å; L367-Y404 HydrophobicContact CD1-CE2 4.47Å
368L97.3Very high96.8Very high30 Ų3039 Ų3916%0.15721%0.21CC..Hα-helixtrans-65.3-40.8175.6-67.9175.8000111.8L235 Q238 L253 V257 I364 L371 L372L235-L368 HydrophobicContact CB-CD2 4.36Å; L235-L368 HydrophobicContact CG-CD2 4.07Å; Q238-L368 HydrophobicContact CG-CD2 4.43Å; L253-L368 HydrophobicContact CD2-CD2 4.1Å; V257-L368 HydrophobicContact CG2-CD1 4.05Å; I364-L368 HydrophobicContact CG2-CD1 3.9Å; I364-L368 HydrophobicContact CG2-CG 4.07Å; I364-L368 PolarHBondContact O-N 3.45Å; L368-L371 PolarHBondContact O-N 3.37Å; L368-L372 WeakPolarHBondContact O-CB 3.3Å; L368-L372 PolarHBondContact O-N 3.34Å
369K96.3Very high96.8Very high90 Ų9044 Ų4439%0.39123%0.227SC..Hα-helixtrans-58-48.1172.6178.7-157.7168.5-1660111.3N345 H346 P365 L366 L372 F373N345-K369 PolarHBondContact OD1-NZ 3.34Å; H346-K369 PolarHBondContact CD2-NZ 3.17Å; H346-K369 PolarHBondContact NE2-NZ 3.43Å; P365-K369 WeakPolarHBondContact O-CB 3.28Å; P365-K369 PolarHBondContact O-N 2.93Å; L366-K369 HydrophobicContact CD1-CD 3.87Å; L366-K369 PolarHBondContact O-N 3.34Å; K369-L372 PolarHBondContact O-N 3.01Å; K369-F373 WeakPolarHBondContact O-CB 3.48Å; K369-F373 PolarHBondContact O-N 3.17Å
370D96.4Very high96.8Very high24 Ų2445.9 Ų45.913%0.12824%0.238CC..Hα-helixtrans-62.5-43.8-179.6-77.8-6.9000111.1R350 L366 L367 F373 I374R350-D370 IonicContact CZ-OD2 3.56Å; R350-D370 IonicContact NH1-OD2 2.82Å; R350-D370 PolarHBondContact NH1-OD2 3.26Å; R350-D370 VanDerWaalsContact NH2-CG 3.25Å; R350-D370 IonicContact NH2-OD1 2.68Å; R350-D370 PolarHBondContact NH2-OD1 3.06Å; R350-D370 IonicContact NH2-OD2 3.82Å; R350-D370 PolarHBondContact NH2-OD2 2.87Å; L366-D370 PolarHBondContact O-N 2.99Å; L367-D370 PolarHBondContact O-N 2.83Å; D370-F373 PolarHBondContact O-N 2.84Å; D370-I374 WeakPolarHBondContact O-CD1 3.46Å; D370-I374 VanDerWaalsContact O-CG1 3.28Å; D370-I374 WeakPolarHBondContact O-CG1 3.42Å; D370-I374 PolarHBondContact O-N 2.86Å
371L98.2Very high96.7Very high0 Ų049.1 Ų49.10%026%0.261CS..Hα-helixtrans-63.3-42.4175.9-76173.7000112.5L235 T239 L367 L368 I374 H375 M394 T397 L398L235-L371 HydrophobicContact CB-CD1 3.64Å; L235-L371 HydrophobicContact CD2-CD1 3.81Å; L235-L371 HydrophobicContact CG-CD1 4.29Å; T239-L371 HydrophobicContact CG2-CB 3.95Å; T239-L371 WeakPolarHBondContact CG2-O 3.35Å; T239-L371 WeakPolarHBondContact OG1-CB 3.36Å; L367-L371 WeakPolarHBondContact O-CG 3.26Å; L367-L371 PolarHBondContact O-N 2.68Å; L368-L371 PolarHBondContact O-N 3.37Å; L371-I374 PolarHBondContact O-N 3.19Å; L371-H375 WeakPolarHBondContact O-CB 3.25Å; L371-H375 PolarHBondContact O-N 2.81Å; L371-M394 HydrophobicContact CD2-CB 4.37Å; L371-M394 HydrophobicContact CD2-CE 4.37Å; L371-M394 HydrophobicContact CD2-CG 4.48Å; L371-T397 HydrophobicContact CD1-CG2 4.31Å; L371-T397 HydrophobicContact CD2-CG2 3.88Å; L371-T397 HydrophobicContact CG-CG2 3.82Å; L371-L398 HydrophobicContact CD1-CD2 4.39Å
372L97.4Very high96.5Very high71 Ų7153.8 Ų53.837%0.37228%0.281SS..Hα-helixtrans-61.7-45.7176.2-176.264.7000111L368 K369 I374 H375 E376L368-L372 WeakPolarHBondContact O-CB 3.3Å; L368-L372 PolarHBondContact O-N 3.34Å; K369-L372 PolarHBondContact O-N 3.01Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 PolarHBondContact O-N 3.13Å; L372-H375 PolarHBondContact O-N 2.95Å; L372-E376 HydrophobicContact CD1-CG 3.89Å; L372-E376 HydrophobicContact CG-CG 4.25Å; L372-E376 WeakPolarHBondContact O-CG 3.45Å; L372-E376 PolarHBondContact O-N 3.2Å
373F97.4Very high96.3Very high153 Ų15363 Ų6367%0.67132%0.324SS*.Hα-helixtrans-59.7-42.6177.1-173.7-94.9000112.1K369 D370 H375 G377K369-F373 WeakPolarHBondContact O-CB 3.48Å; K369-F373 PolarHBondContact O-N 3.17Å; D370-F373 PolarHBondContact O-N 2.84Å; F373-H375 VanDerWaalsContact C-N 3.34Å; F373-G377 WeakPolarHBondContact O-CA 3.44Å; F373-G377 PolarHBondContact O-N 3.04Å
374I97.8Very high96.2Very high14 Ų1465.8 Ų65.87%0.07236%0.359CS..Hα-helixtrans-62.5-43.8173.7-66.5161.8000110.5D370 L371 L372 N378 K390 M393 M394D370-I374 WeakPolarHBondContact O-CD1 3.46Å; D370-I374 VanDerWaalsContact O-CG1 3.28Å; D370-I374 WeakPolarHBondContact O-CG1 3.42Å; D370-I374 PolarHBondContact O-N 2.86Å; L371-I374 PolarHBondContact O-N 3.19Å; L372-I374 VanDerWaalsContact C-N 3.32Å; L372-I374 PolarHBondContact O-N 3.13Å; I374-N378 WeakPolarHBondContact O-CB 3.36Å; I374-N378 PolarHBondContact O-N 3.4Å; I374-N378 PolarHBondContact O-ND2 3.45Å; I374-K390 HydrophobicContact CG2-CG 4.31Å; I374-M393 HydrophobicContact CD1-CB 4.03Å; I374-M393 HydrophobicContact CG1-CB 4.24Å; I374-M393 HydrophobicContact CG1-CE 4.03Å; I374-M393 HydrophobicContact CG2-CB 3.74Å; I374-M393 HydrophobicContact CG2-SD 4.31Å; I374-M394 HydrophobicContact CB-CG 4.44Å; I374-M394 HydrophobicContact CG2-CG 3.57Å
375H97.4Very high96.2Very high34 Ų3471.7 Ų71.716%0.15739%0.388CS..Hα-helixtrans-65.2-47.9-176.2-179.171.1000112.8T239 L371 L372 F373 N378 K390T239-H375 HydrophobicContact CG2-CB 3.6Å; L371-H375 WeakPolarHBondContact O-CB 3.25Å; L371-H375 PolarHBondContact O-N 2.81Å; L372-H375 PolarHBondContact O-N 2.95Å; F373-H375 VanDerWaalsContact C-N 3.34Å; H375-N378 VanDerWaalsContact O-O 3.09Å; H375-K390 PolarHBondContact ND1-NZ 3.39Å; H375-K390 PolarHBondContact O-NZ 3.43Å
376E96.6Very high96.2Very high144 Ų14473 Ų7367%0.67339%0.394SS*.Hα-helixtrans-76.1-36.4-177.9-66.5-177.8151.600112L372 N378L372-E376 HydrophobicContact CD1-CG 3.89Å; L372-E376 HydrophobicContact CG-CG 4.25Å; L372-E376 WeakPolarHBondContact O-CG 3.45Å; L372-E376 PolarHBondContact O-N 3.2Å; E376-N378 VanDerWaalsContact C-N 3.3Å; E376-N378 PolarHBondContact O-N 3.36Å
377G96.5Very high96.3Very high57 Ų5774 Ų7459%0.58840%0.4SS*.Hα-helixtrans-74.8-14.5-178.700000114.7F373F373-G377 WeakPolarHBondContact O-CA 3.44Å; F373-G377 PolarHBondContact O-N 3.04Å
378N97Very high96.3Very high46 Ų4680.8 Ų80.825%0.24643%0.429CS..SBendtrans-132125-173.9-59.7-83000111.4I374 H375 E376 K390I374-N378 WeakPolarHBondContact O-CB 3.36Å; I374-N378 PolarHBondContact O-N 3.4Å; I374-N378 PolarHBondContact O-ND2 3.45Å; H375-N378 VanDerWaalsContact O-O 3.09Å; E376-N378 VanDerWaalsContact C-N 3.3Å; E376-N378 PolarHBondContact O-N 3.36Å; N378-K390 HydrophobicContact CB-CB 4Å; N378-K390 HydrophobicContact CB-CD 4Å; N378-K390 HydrophobicContact CB-CG 3.96Å; N378-K390 VanDerWaalsContact O-CD 3.31Å; N378-K390 WeakPolarHBondContact O-CD 3.45Å; N378-K390 VanDerWaalsContact O-CE 3.3Å; N378-K390 WeakPolarHBondContact O-CE 3.38Å; N378-K390 PolarHBondContact O-NZ 3.39Å
379K95.9Very high96.3Very high147 Ų14784.9 Ų84.964%0.63945%0.447SS*.  trans-65.3142.9172.6-63.6-173.8-177.9176.80110.4F382 N387K379-F382 HydrophobicContact CB-CD1 4.47Å; K379-F382 HydrophobicContact CB-CE1 3.88Å; K379-F382 HydrophobicContact CB-CE2 4.19Å; K379-F382 HydrophobicContact CB-CZ 3.72Å; K379-F382 HydrophobicContact CD-CD1 4.22Å; K379-F382 HydrophobicContact CD-CE1 3.77Å; K379-F382 HydrophobicContact CD-CZ 4.43Å; K379-F382 HydrophobicContact CG-CE1 4.13Å; K379-F382 HydrophobicContact CG-CZ 4.3Å; K379-N387 WeakPolarHBondContact O-CB 3.36Å; K379-N387 PolarHBondContact O-ND2 3.41Å
380T94.8Very high96.4Very high66 Ų6680.8 Ų80.841%0.40543%0.429SS..SBendtrans-73.2-29.7179.1-58.10000112.3N387 K390 M391T380-N387 PolarHBondContact O-N 3.21Å; T380-K390 PolarHBondContact OG1-NZ 3.03Å; T380-M391 HydrophobicContact CG2-CE 3.77Å
381S95.3Very high96.4Very high69 Ų6983.2 Ų83.248%0.48344%0.441SS..EExtended strand (participates in β ladder)trans-144.4150.1177.956.90000111.8M385S381-M385 CarbonylContact C-O 3.57Å; S381-M385 WeakPolarHBondContact CA-O 3.3Å; S381-M385 VanDerWaalsContact CB-O 3.24Å; S381-M385 WeakPolarHBondContact CB-O 3.26Å
382F93.8Very high96.3Very high101 Ų10188.1 Ų88.144%0.44346%0.464SS..EExtended strand (participates in β ladder)trans-128.6123172.9-62.1-85.6000108.2K379 G384 M385 N387K379-F382 HydrophobicContact CB-CD1 4.47Å; K379-F382 HydrophobicContact CB-CE1 3.88Å; K379-F382 HydrophobicContact CB-CE2 4.19Å; K379-F382 HydrophobicContact CB-CZ 3.72Å; K379-F382 HydrophobicContact CD-CD1 4.22Å; K379-F382 HydrophobicContact CD-CE1 3.77Å; K379-F382 HydrophobicContact CD-CZ 4.43Å; K379-F382 HydrophobicContact CG-CE1 4.13Å; K379-F382 HydrophobicContact CG-CZ 4.3Å; F382-G384 PolarHBondContact O-N 3.17Å; F382-G384 VanDerWaalsContact O-N 3.1Å; F382-M385 PolarHBondContact N-O 3.09Å; F382-M385 WeakPolarHBondContact O-CA 3.5Å; F382-M385 WeakPolarHBondContact O-CB 3.42Å; F382-M385 PolarHBondContact O-N 2.95Å; F382-N387 HydrophobicContact CD2-CB 4.14Å; F382-N387 HydrophobicContact CE2-CB 3.93Å
383E94.3Very high96.3Very high193 Ų19388 Ų8890%0.90246%0.462SS*.THydrogen-bonded Turntrans51.139.3176-57.7-178.3168.800113.6M385E383-M385 VanDerWaalsContact C-N 3.27Å; E383-M385 PolarHBondContact O-N 3.47Å
384G94Very high96.3Very high78 Ų7881.1 Ų81.180%0.80443%0.432SS*.THydrogen-bonded Turntrans81.1-7.6-177.700000115.4F382F382-G384 PolarHBondContact O-N 3.17Å; F382-G384 VanDerWaalsContact O-N 3.1Å
385M96.3Very high96.2Very high126 Ų12682 Ų8262%0.62144%0.442SS*.EExtended strand (participates in β ladder)trans-90.5141.4175.6-60.5-173.7-7400111.8S381 F382 E383S381-M385 CarbonylContact C-O 3.57Å; S381-M385 WeakPolarHBondContact CA-O 3.3Å; S381-M385 VanDerWaalsContact CB-O 3.24Å; S381-M385 WeakPolarHBondContact CB-O 3.26Å; F382-M385 PolarHBondContact N-O 3.09Å; F382-M385 WeakPolarHBondContact O-CA 3.5Å; F382-M385 WeakPolarHBondContact O-CB 3.42Å; F382-M385 PolarHBondContact O-N 2.95Å; E383-M385 VanDerWaalsContact C-N 3.27Å; E383-M385 PolarHBondContact O-N 3.47Å
386V96.3Very high96.1Very high74 Ų7484 Ų8445%0.44845%0.451SS..EExtended strand (participates in β ladder)trans-75134.6176.7178.40000110.5F388 M391V386-F388 HydrophobicContact CB-CE2 4.16Å; V386-F388 HydrophobicContact CB-CZ 4.39Å; V386-F388 WeakPolarHBondContact O-CD2 3.18Å; V386-F388 PolarHBondContact O-N 3.4Å; V386-F388 VanDerWaalsContact O-N 3.09Å; V386-M391 HydrophobicContact CG1-CE 3.76Å; V386-M391 HydrophobicContact CG1-CG 4.27Å
387N97.1Very high96Very high24 Ų2477.9 Ų77.913%0.12842%0.424CS..  trans-78.389.7172.4-178.1-2.2000110.7K379 T380 F382 E389 K390 M391K379-N387 WeakPolarHBondContact O-CB 3.36Å; K379-N387 PolarHBondContact O-ND2 3.41Å; T380-N387 PolarHBondContact O-N 3.21Å; F382-N387 HydrophobicContact CD2-CB 4.14Å; F382-N387 HydrophobicContact CE2-CB 3.93Å; N387-E389 PolarHBondContact O-N 3.49Å; N387-E389 WeakPolarHBondContact OD1-CB 3.47Å; N387-E389 PolarHBondContact OD1-N 2.86Å; N387-E389 VanDerWaalsContact OD1-N 3.15Å; N387-K390 HydrophobicContact CB-CB 4.19Å; N387-K390 WeakPolarHBondContact O-CB 3.39Å; N387-K390 PolarHBondContact O-N 3.27Å; N387-K390 PolarHBondContact OD1-N 3.43Å; N387-K390 VanDerWaalsContact OD1-N 3.15Å; N387-M391 WeakPolarHBondContact O-CG 3.36Å; N387-M391 PolarHBondContact O-N 3.12Å
388F96.8Very high96Very high156 Ų15675.7 Ų75.768%0.68440%0.399SS*.Hα-helixtrans-65-24.6178.2-73.8-79.2000113.9V386 M391 H392V386-F388 HydrophobicContact CB-CE2 4.16Å; V386-F388 HydrophobicContact CB-CZ 4.39Å; V386-F388 WeakPolarHBondContact O-CD2 3.18Å; V386-F388 PolarHBondContact O-N 3.4Å; V386-F388 VanDerWaalsContact O-N 3.09Å; F388-M391 PolarHBondContact O-N 2.89Å; F388-H392 WeakPolarHBondContact O-CB 3.4Å; F388-H392 PolarHBondContact O-N 2.89Å
389E97Very high95.8Very high115 Ų11578 Ų7854%0.53740%0.404SS..Hα-helixtrans-65.1-45.9175.3-173.756.7-146.300110.4N387 M391 H392 M393N387-E389 PolarHBondContact O-N 3.49Å; N387-E389 WeakPolarHBondContact OD1-CB 3.47Å; N387-E389 PolarHBondContact OD1-N 2.86Å; N387-E389 VanDerWaalsContact OD1-N 3.15Å; E389-M391 VanDerWaalsContact C-N 3.29Å; E389-M391 PolarHBondContact O-N 3.1Å; E389-H392 WeakPolarHBondContact O-CB 3.43Å; E389-H392 PolarHBondContact O-N 3.18Å; E389-H392 VanDerWaalsContact O-N 3.11Å; E389-M393 WeakPolarHBondContact O-CG 3.18Å; E389-M393 PolarHBondContact O-N 3.39Å
390K97.3Very high95.7Very high4 Ų473.9 Ų73.92%0.01739%0.389CS..Hα-helixtrans-55.5-46.3172-178.7-178.1-172.5165.10111.2I374 H375 N378 T380 N387 H392 M393 M394I374-K390 HydrophobicContact CG2-CG 4.31Å; H375-K390 PolarHBondContact ND1-NZ 3.39Å; H375-K390 PolarHBondContact O-NZ 3.43Å; N378-K390 HydrophobicContact CB-CB 4Å; N378-K390 HydrophobicContact CB-CD 4Å; N378-K390 HydrophobicContact CB-CG 3.96Å; N378-K390 VanDerWaalsContact O-CD 3.31Å; N378-K390 WeakPolarHBondContact O-CD 3.45Å; N378-K390 VanDerWaalsContact O-CE 3.3Å; N378-K390 WeakPolarHBondContact O-CE 3.38Å; N378-K390 PolarHBondContact O-NZ 3.39Å; T380-K390 PolarHBondContact OG1-NZ 3.03Å; N387-K390 HydrophobicContact CB-CB 4.19Å; N387-K390 WeakPolarHBondContact O-CB 3.39Å; N387-K390 PolarHBondContact O-N 3.27Å; N387-K390 PolarHBondContact OD1-N 3.43Å; N387-K390 VanDerWaalsContact OD1-N 3.15Å; K390-H392 VanDerWaalsContact C-N 3.3Å; K390-H392 PolarHBondContact O-N 2.9Å; K390-M393 PolarHBondContact O-N 3.35Å; K390-M394 HydrophobicContact CG-SD 4.29Å; K390-M394 WeakPolarHBondContact O-CG 3.3Å; K390-M394 PolarHBondContact O-N 3.5Å
391M96.4Very high95.7Very high76 Ų7670.9 Ų70.937%0.37437%0.37SS..Hα-helixtrans-61.3-40.9179-58-53.7173.500111.4T380 V386 N387 F388 E389 A395T380-M391 HydrophobicContact CG2-CE 3.77Å; V386-M391 HydrophobicContact CG1-CE 3.76Å; V386-M391 HydrophobicContact CG1-CG 4.27Å; N387-M391 WeakPolarHBondContact O-CG 3.36Å; N387-M391 PolarHBondContact O-N 3.12Å; F388-M391 PolarHBondContact O-N 2.89Å; E389-M391 VanDerWaalsContact C-N 3.29Å; E389-M391 PolarHBondContact O-N 3.1Å; M391-A395 WeakPolarHBondContact O-CB 3.39Å; M391-A395 PolarHBondContact O-N 3.23Å
392H97.1Very high95.6Very high103 Ų10372.8 Ų72.848%0.47737%0.367SS..Hα-helixtrans-64.7-45.4177.6-170.584.5000112.2F388 E389 K390 M394 A395 Q396 R399F388-H392 WeakPolarHBondContact O-CB 3.4Å; F388-H392 PolarHBondContact O-N 2.89Å; E389-H392 WeakPolarHBondContact O-CB 3.43Å; E389-H392 PolarHBondContact O-N 3.18Å; E389-H392 VanDerWaalsContact O-N 3.11Å; K390-H392 VanDerWaalsContact C-N 3.3Å; K390-H392 PolarHBondContact O-N 2.9Å; H392-M394 PolarHBondContact O-N 2.89Å; H392-A395 PolarHBondContact O-N 3.03Å; H392-Q396 WeakPolarHBondContact O-CB 3.5Å; H392-Q396 PolarHBondContact O-N 2.88Å; H392-R399 PolarHBondContact CE1-NH2 2.95Å
393M97.3Very high95.6Very high67 Ų6770.3 Ų70.333%0.3337%0.365SS..Hα-helixtrans-60.2-45.8177.3-66.1176.484.600111.9I374 E389 K390 Q396 T397I374-M393 HydrophobicContact CD1-CB 4.03Å; I374-M393 HydrophobicContact CG1-CB 4.24Å; I374-M393 HydrophobicContact CG1-CE 4.03Å; I374-M393 HydrophobicContact CG2-CB 3.74Å; I374-M393 HydrophobicContact CG2-SD 4.31Å; E389-M393 WeakPolarHBondContact O-CG 3.18Å; E389-M393 PolarHBondContact O-N 3.39Å; K390-M393 PolarHBondContact O-N 3.35Å; M393-Q396 PolarHBondContact O-N 3.39Å; M393-T397 PolarHBondContact O-N 3.47Å; M393-T397 PolarHBondContact O-OG1 3.26Å
394M97.1Very high95.7Very high9 Ų962.6 Ų62.64%0.04433%0.328CS..Hα-helixtrans-64-48.8176.6-65.7-173.283.800110.6L236 T239 I240 L371 I374 K390 H392 Q396 T397 L398L236-M394 HydrophobicContact CD2-CE 3.5Å; L236-M394 VanDerWaalsContact CD2-CE 3.5Å; T239-M394 HydrophobicContact CG2-CE 4.25Å; I240-M394 HydrophobicContact CD1-CE 4.06Å; I240-M394 HydrophobicContact CG1-CE 4.11Å; L371-M394 HydrophobicContact CD2-CB 4.37Å; L371-M394 HydrophobicContact CD2-CE 4.37Å; L371-M394 HydrophobicContact CD2-CG 4.48Å; I374-M394 HydrophobicContact CB-CG 4.44Å; I374-M394 HydrophobicContact CG2-CG 3.57Å; K390-M394 HydrophobicContact CG-SD 4.29Å; K390-M394 WeakPolarHBondContact O-CG 3.3Å; K390-M394 PolarHBondContact O-N 3.5Å; H392-M394 PolarHBondContact O-N 2.89Å; M394-Q396 VanDerWaalsContact C-N 3.26Å; M394-Q396 PolarHBondContact O-N 3.07Å; M394-T397 WeakPolarHBondContact O-CB 3.25Å; M394-T397 PolarHBondContact O-N 3.4Å; M394-L398 PolarHBondContact O-N 3.27Å; M394-L398 VanDerWaalsContact O-N 3.16Å
395A95.8Very high95.7Very high34 Ų3461 Ų6128%0.28130%0.299SS..Hα-helixtrans-59.3-35.4178.900000112.5M391 H392 T397 L398 R399M391-A395 WeakPolarHBondContact O-CB 3.39Å; M391-A395 PolarHBondContact O-N 3.23Å; H392-A395 PolarHBondContact O-N 3.03Å; A395-T397 VanDerWaalsContact C-N 3.3Å; A395-T397 PolarHBondContact O-N 3.34Å; A395-L398 PolarHBondContact O-N 3.01Å; A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 2.74Å
396Q95.8Very high95.5Very high76 Ų7658 Ų5836%0.35529%0.294SS..Hα-helixtrans-62.4-39175.8-174.25645.900112.1H392 M393 M394 R399 N400H392-Q396 WeakPolarHBondContact O-CB 3.5Å; H392-Q396 PolarHBondContact O-N 2.88Å; M393-Q396 PolarHBondContact O-N 3.39Å; M394-Q396 VanDerWaalsContact C-N 3.26Å; M394-Q396 PolarHBondContact O-N 3.07Å; Q396-R399 PolarHBondContact O-N 2.93Å; Q396-R399 VanDerWaalsContact OE1-NE 3.11Å; Q396-N400 PolarHBondContact NE2-OD1 2.95Å; Q396-N400 VanDerWaalsContact NE2-OD1 3.13Å; Q396-N400 VanDerWaalsContact O-CG 3.28Å; Q396-N400 PolarHBondContact O-N 2.89Å; Q396-N400 VanDerWaalsContact O-N 3.16Å; Q396-N400 PolarHBondContact O-ND2 3.45Å; Q396-N400 PolarHBondContact O-OD1 2.94Å
397T94.9Very high95.3Very high15 Ų1560.1 Ų60.19%0.09230%0.299CS..Hα-helixtrans-66-40.8176.3-55.30000111.2L367 L371 M393 M394 A395 N400 L401L367-T397 HydrophobicContact CD2-CG2 4.1Å; L371-T397 HydrophobicContact CD1-CG2 4.31Å; L371-T397 HydrophobicContact CD2-CG2 3.88Å; L371-T397 HydrophobicContact CG-CG2 3.82Å; M393-T397 PolarHBondContact O-N 3.47Å; M393-T397 PolarHBondContact O-OG1 3.26Å; M394-T397 WeakPolarHBondContact O-CB 3.25Å; M394-T397 PolarHBondContact O-N 3.4Å; A395-T397 VanDerWaalsContact C-N 3.3Å; A395-T397 PolarHBondContact O-N 3.34Å; T397-N400 WeakPolarHBondContact O-CB 3.43Å; T397-N400 PolarHBondContact O-N 3.32Å; T397-L401 PolarHBondContact O-N 3.08Å; T397-L401 VanDerWaalsContact O-N 3.15Å
398L95.2Very high95Very high11 Ų1162.7 Ų62.76%0.05832%0.323CS..Hα-helixtrans-67.9-39.5176.6-55.5-174.8000112.4E232 L235 L236 L371 M394 A395 N400 L401 R402E232-L398 HydrophobicContact CB-CB 4.27Å; E232-L398 HydrophobicContact CB-CD2 4.24Å; E232-L398 WeakPolarHBondContact O-CD2 3.47Å; L235-L398 HydrophobicContact CB-CD2 4.31Å; L236-L398 HydrophobicContact CD1-CD1 3.72Å; L236-L398 HydrophobicContact CD2-CD1 3.86Å; L236-L398 HydrophobicContact CD2-CD2 4.36Å; L236-L398 HydrophobicContact CD2-CG 4.46Å; L236-L398 HydrophobicContact CG-CD1 3.83Å; L371-L398 HydrophobicContact CD1-CD2 4.39Å; M394-L398 PolarHBondContact O-N 3.27Å; M394-L398 VanDerWaalsContact O-N 3.16Å; A395-L398 PolarHBondContact O-N 3.01Å; L398-N400 VanDerWaalsContact C-N 3.27Å; L398-N400 PolarHBondContact O-N 3.31Å; L398-L401 WeakPolarHBondContact O-CA 3.46Å; L398-L401 VanDerWaalsContact O-CB 3.28Å; L398-L401 WeakPolarHBondContact O-CB 3.49Å; L398-L401 PolarHBondContact O-N 3.43Å; L398-L401 VanDerWaalsContact O-N 3.07Å; L398-R402 PolarHBondContact O-N 3.48Å
399R94.4Very high94.8Very high93 Ų9355.9 Ų55.935%0.35130%0.295SS..Hα-helixtrans-57.4-41.2173.5-76.7-171.9-69.4-1004.3111.7H392 A395 Q396 R402 A403H392-R399 PolarHBondContact CE1-NH2 2.95Å; A395-R399 WeakPolarHBondContact O-CG 3.36Å; A395-R399 PolarHBondContact O-N 2.74Å; Q396-R399 PolarHBondContact O-N 2.93Å; Q396-R399 VanDerWaalsContact OE1-NE 3.11Å; R399-R402 PolarHBondContact O-N 2.88Å; R399-A403 WeakPolarHBondContact O-CB 3.48Å; R399-A403 PolarHBondContact O-N 2.96Å
400N92.8Very high94.4Very high61 Ų6154.9 Ų54.933%0.32631%0.306SS..Hα-helixtrans-63.1-44.1175-63.8-15.3000111.2Q396 T397 L398 R402 A403 Y404Q396-N400 PolarHBondContact NE2-OD1 2.95Å; Q396-N400 VanDerWaalsContact NE2-OD1 3.13Å; Q396-N400 VanDerWaalsContact O-CG 3.28Å; Q396-N400 PolarHBondContact O-N 2.89Å; Q396-N400 VanDerWaalsContact O-N 3.16Å; Q396-N400 PolarHBondContact O-ND2 3.45Å; Q396-N400 PolarHBondContact O-OD1 2.94Å; T397-N400 WeakPolarHBondContact O-CB 3.43Å; T397-N400 PolarHBondContact O-N 3.32Å; L398-N400 VanDerWaalsContact C-N 3.27Å; L398-N400 PolarHBondContact O-N 3.31Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 3.29Å; N400-A403 PolarHBondContact O-N 2.74Å; N400-Y404 HydrophobicContact CB-CE2 4.34Å; N400-Y404 WeakPolarHBondContact O-CD2 3.32Å; N400-Y404 WeakPolarHBondContact O-CE2 3.2Å; N400-Y404 VanDerWaalsContact O-CG 3.27Å; N400-Y404 PolarHBondContact O-N 3.4Å; N400-Y404 VanDerWaalsContact O-N 3.08Å
401L94.2Very high94Very high3 Ų359 Ų592%0.01633%0.327CS..Hα-helixtrans-56.6-45.6175.9-166.881000111.6F227 E232 L235 P362 I364 L367 T397 L398 Y404F227-L401 HydrophobicContact CE2-CD1 3.67Å; F227-L401 HydrophobicContact CE2-CG 4.11Å; F227-L401 HydrophobicContact CZ-CD1 4.12Å; F227-L401 HydrophobicContact CZ-CG 4.39Å; E232-L401 HydrophobicContact CB-CD2 3.87Å; L235-L401 HydrophobicContact CD1-CD2 3.76Å; L235-L401 HydrophobicContact CD2-CD1 4.25Å; L235-L401 HydrophobicContact CD2-CD2 3.95Å; P362-L401 HydrophobicContact CG-CD1 4.37Å; I364-L401 HydrophobicContact CD1-CD1 4.14Å; L367-L401 HydrophobicContact CD1-CD1 3.72Å; T397-L401 PolarHBondContact O-N 3.08Å; T397-L401 VanDerWaalsContact O-N 3.15Å; L398-L401 WeakPolarHBondContact O-CA 3.46Å; L398-L401 VanDerWaalsContact O-CB 3.28Å; L398-L401 WeakPolarHBondContact O-CB 3.49Å; L398-L401 PolarHBondContact O-N 3.43Å; L398-L401 VanDerWaalsContact O-N 3.07Å; L401-Y404 PolarHBondContact O-N 3.35Å
402R93.7Very high93.5Very high110 Ų11058 Ų5842%0.41532%0.324SS..Hα-helixtrans-65.3-41.8177.8-164.2-176.4-47.2145.813.9112.2L24 E232 L398 R399 N400 Y404 K405L24-R402 VanDerWaalsContact CD1-CZ 3.45Å; E232-R402 IonicContact OE1-CZ 3.7Å; E232-R402 IonicContact OE1-NH2 3.84Å; E232-R402 PolarHBondContact OE1-NH2 3.01Å; E232-R402 IonicContact OE2-CZ 3.08Å; E232-R402 VanDerWaalsContact OE2-CZ 3.29Å; E232-R402 IonicContact OE2-NE 3.16Å; E232-R402 PolarHBondContact OE2-NE 3.31Å; E232-R402 IonicContact OE2-NH2 2.74Å; E232-R402 PolarHBondContact OE2-NH2 3.13Å; L398-R402 PolarHBondContact O-N 3.48Å; R399-R402 PolarHBondContact O-N 2.88Å; N400-R402 VanDerWaalsContact C-N 3.31Å; N400-R402 PolarHBondContact O-N 3.29Å; R402-Y404 VanDerWaalsContact C-N 3.27Å; R402-Y404 PolarHBondContact O-N 3.03Å; R402-K405 WeakPolarHBondContact O-CB 3.28Å; R402-K405 PolarHBondContact O-N 3.5Å
403A94.4Very high92.8Very high48 Ų4856.9 Ų56.940%0.39733%0.333SS..Hα-helixtrans-59.4-38.7176.700000111.7P358 R399 N400 K405 A406P358-A403 VanDerWaalsContact CB-O 3.24Å; P358-A403 WeakPolarHBondContact CB-O 3.45Å; P358-A403 WeakPolarHBondContact CG-O 3.39Å; R399-A403 WeakPolarHBondContact O-CB 3.48Å; R399-A403 PolarHBondContact O-N 2.96Å; N400-A403 PolarHBondContact O-N 2.74Å; A403-K405 PolarHBondContact O-N 3.39Å; A403-A406 VanDerWaalsContact O-CB 3.27Å; A403-A406 WeakPolarHBondContact O-CB 3.31Å; A403-A406 PolarHBondContact O-N 3.41Å; A403-A406 VanDerWaalsContact O-N 3.13Å
404Y96.1Very high92Very high31 Ų3158.4 Ų58.412%0.12235%0.35CS..Hα-helixtrans-61.5-23.8176.2-59.6-37.8000114V353 P359 V360 P362 L367 N400 L401 R402V353-Y404 HydrophobicContact CG1-CE1 3.79Å; V353-Y404 VanDerWaalsContact CG1-OH 3.25Å; V353-Y404 WeakPolarHBondContact CG1-OH 3.45Å; P359-Y404 WeakPolarHBondContact CA-O 3.47Å; V360-Y404 HydrophobicContact CB-CD1 4.07Å; V360-Y404 HydrophobicContact CB-CG 4.36Å; V360-Y404 HydrophobicContact CG2-CD1 4.35Å; V360-Y404 PolarHBondContact N-O 3.45Å; V360-Y404 WeakPolarHBondContact O-CB 3.48Å; P362-Y404 HydrophobicContact CB-CD2 3.94Å; P362-Y404 HydrophobicContact CB-CE2 3.88Å; P362-Y404 HydrophobicContact CG-CD2 3.8Å; P362-Y404 HydrophobicContact CG-CE2 4.17Å; L367-Y404 HydrophobicContact CD1-CE2 4.47Å; N400-Y404 HydrophobicContact CB-CE2 4.34Å; N400-Y404 WeakPolarHBondContact O-CD2 3.32Å; N400-Y404 WeakPolarHBondContact O-CE2 3.2Å; N400-Y404 VanDerWaalsContact O-CG 3.27Å; N400-Y404 PolarHBondContact O-N 3.4Å; N400-Y404 VanDerWaalsContact O-N 3.08Å; L401-Y404 PolarHBondContact O-N 3.35Å; R402-Y404 VanDerWaalsContact C-N 3.27Å; R402-Y404 PolarHBondContact O-N 3.03Å
405K93.5Very high91.2Very high45 Ų4561.2 Ų61.220%0.19636%0.362CS..THydrogen-bonded Turntrans-90.10.9178.5-65-175.7174.3-1680114.5F227 H228 T230 R402 A403 H407F227-K405 HydrophobicContact CD1-CG 4.26Å; F227-K405 HydrophobicContact CE1-CD 4.47Å; F227-K405 HydrophobicContact CE1-CG 3.57Å; F227-K405 HydrophobicContact CE2-CG 4.45Å; F227-K405 HydrophobicContact CZ-CD 4.32Å; F227-K405 HydrophobicContact CZ-CG 3.68Å; F227-K405 WeakPolarHBondContact O-CE 3.49Å; F227-K405 PolarHBondContact O-NZ 2.95Å; H228-K405 PolarHBondContact O-NZ 3.45Å; T230-K405 PolarHBondContact O-NZ 3.2Å; R402-K405 WeakPolarHBondContact O-CB 3.28Å; R402-K405 PolarHBondContact O-N 3.5Å; A403-K405 PolarHBondContact O-N 3.39Å; K405-H407 PolarHBondContact O-N 2.91Å
406A91.7Very high90.6Very high64 Ų6462.8 Ų62.853%0.52937%0.368SS..SBendtrans-59.8-25.1-16900000114.8P358 A403P358-A406 HydrophobicContact CB-CB 4.07Å; P358-A406 HydrophobicContact CG-CB 4.4Å; A403-A406 VanDerWaalsContact O-CB 3.27Å; A403-A406 WeakPolarHBondContact O-CB 3.31Å; A403-A406 PolarHBondContact O-N 3.41Å; A403-A406 VanDerWaalsContact O-N 3.13Å
407H91.6Very high90.1Very high117 Ų11760 Ų6054%0.54236%0.357SS..SBendtrans-131.9161.8177-53.8111.5000109.9W224 P358 P359 K405W224-H407 WeakPolarHBondContact CH2-O 3.48Å; W224-H407 WeakPolarHBondContact CZ2-O 3.18Å; P358-H407 PolarHBondContact O-ND1 3.26Å; P359-H407 WeakPolarHBondContact CB-O 3.5Å; K405-H407 PolarHBondContact O-N 2.91Å
408A91.7Very high89.8Confident78 Ų7863.8 Ų63.865%0.64538%0.381SS*.  trans-84.9147168.800000110.6
409P92.8Very high89.4Confident13 Ų1368.4 Ų68.48%0.08440%0.403CS..  trans-64.8147.2177.127.7-35.3000111.4L220 W224 P359 I411L220-P409 HydrophobicContact CD1-CB 4.04Å; L220-P409 HydrophobicContact CD1-CG 4.39Å; L220-P409 HydrophobicContact CD2-CB 4.21Å; L220-P409 HydrophobicContact CG-CB 4.34Å; W224-P409 HydrophobicContact CB-CG 4.08Å; W224-P409 HydrophobicContact CD2-CG 3.64Å; W224-P409 HydrophobicContact CE3-CG 4.03Å; W224-P409 HydrophobicContact CG-CG 3.6Å; P359-P409 VanDerWaalsContact CG-CA 3.5Å; P359-P409 HydrophobicContact CG-CB 4.15Å; P409-I411 PolarHBondContact O-N 2.92Å
410A89.7Confident89.1Confident95 Ų9564 Ų6479%0.78539%0.386SS*.  trans-68.6114.7171.900000109.3
411I88.7Confident89Confident89 Ų8965.6 Ų65.646%0.45639%0.391SS..  trans-99121.6177.5-64.5166.6000109.7Q217 I221 P409 A413 V416Q217-I411 VanDerWaalsContact NE2-CA 3.33Å; I221-I411 HydrophobicContact CD1-CG2 3.86Å; I221-I411 HydrophobicContact CG1-CD1 3.88Å; I221-I411 HydrophobicContact CG1-CG1 4.02Å; I221-I411 HydrophobicContact CG1-CG2 4.22Å; P409-I411 PolarHBondContact O-N 2.92Å; I411-A413 PolarHBondContact O-N 3.42Å; I411-V416 HydrophobicContact CG2-CG2 4.12Å
412D85.4Confident88.8Confident56 Ų5670.2 Ų70.230%0.29941%0.413SS..  trans-83.196.8171.5-174.5-8000109.5S414 K415D412-S414 VanDerWaalsContact CG-OG 3.3Å; D412-S414 PolarHBondContact O-N 3.11Å; D412-S414 VanDerWaalsContact O-N 3.14Å; D412-S414 WeakPolarHBondContact OD1-CB 3.28Å; D412-S414 PolarHBondContact OD1-N 2.85Å; D412-S414 VanDerWaalsContact OD1-N 3.1Å; D412-S414 PolarHBondContact OD1-OG 3.34Å; D412-S414 PolarHBondContact OD2-OG 2.92Å; D412-K415 HydrophobicContact CB-CB 4.47Å; D412-K415 HydrophobicContact CB-CD 4.37Å; D412-K415 HydrophobicContact CB-CG 4.35Å; D412-K415 PolarHBondContact O-N 3.34Å; D412-K415 WeakPolarHBondContact OD2-CE 3.48Å; D412-K415 IonicContact OD2-NZ 2.69Å; D412-K415 PolarHBondContact OD2-NZ 3.15Å
413A82.1Confident88.7Confident80 Ų8065 Ų6566%0.66139%0.393SS*.G310 helixtrans-57.7-26.3-17900000113.1I411 K415 V416I411-A413 PolarHBondContact O-N 3.42Å; A413-K415 PolarHBondContact O-N 3.3Å; A413-V416 PolarHBondContact O-N 3.3Å
414S81.4Confident88.7Confident99 Ų9962.8 Ų62.869%0.69238%0.375SS*.G310 helixtrans-68.6-15.5177.374.20000113.5D412D412-S414 VanDerWaalsContact CG-OG 3.3Å; D412-S414 PolarHBondContact O-N 3.11Å; D412-S414 VanDerWaalsContact O-N 3.14Å; D412-S414 WeakPolarHBondContact OD1-CB 3.28Å; D412-S414 PolarHBondContact OD1-N 2.85Å; D412-S414 VanDerWaalsContact OD1-N 3.1Å; D412-S414 PolarHBondContact OD1-OG 3.34Å; D412-S414 PolarHBondContact OD2-OG 2.92Å
415K79.4Confident88.5Confident67 Ų6762.5 Ų62.529%0.29137%0.374SS..G310 helixtrans-104.910.9179.3-64.7-172.1-178.1110.80113.4A213 E214 Q217 H218 D412 A413A213-K415 HydrophobicContact CB-CD 3.97Å; E214-K415 HydrophobicContact CG-CB 4.09Å; E214-K415 HydrophobicContact CG-CG 4.41Å; Q217-K415 HydrophobicContact CB-CB 4.07Å; Q217-K415 HydrophobicContact CG-CB 4.03Å; H218-K415 PolarHBondContact CE1-O 3.25Å; D412-K415 HydrophobicContact CB-CB 4.47Å; D412-K415 HydrophobicContact CB-CD 4.37Å; D412-K415 HydrophobicContact CB-CG 4.35Å; D412-K415 PolarHBondContact O-N 3.34Å; D412-K415 WeakPolarHBondContact OD2-CE 3.48Å; D412-K415 IonicContact OD2-NZ 2.69Å; D412-K415 PolarHBondContact OD2-NZ 3.15Å; A413-K415 PolarHBondContact O-N 3.3Å
416V82.5Confident88.4Confident68 Ų6863.1 Ų63.141%0.41238%0.38SS..  trans-97.6109.9178.6-175.70000108.8H218 I221 I411 A413H218-V416 VanDerWaalsContact CE1-CA 3.42Å; H218-V416 WeakPolarHBondContact CE1-CA 3.49Å; I221-V416 HydrophobicContact CD1-CG2 3.83Å; I411-V416 HydrophobicContact CG2-CG2 4.12Å; A413-V416 PolarHBondContact O-N 3.3Å
417S86.4Confident88.5Confident18 Ų1860.5 Ų60.513%0.12636%0.357CS..  trans-128.4140.1-176.9660000110.3H218 E419 A420 Q421H218-S417 PolarHBondContact CE1-N 3.43Å; H218-S417 PolarHBondContact NE2-N 2.86Å; H218-S417 PolarHBondContact NE2-O 3.41Å; S417-E419 PolarHBondContact O-N 3.03Å; S417-A420 PolarHBondContact O-N 3.47Å; S417-A420 VanDerWaalsContact OG-CB 3.3Å; S417-A420 WeakPolarHBondContact OG-CB 3.37Å; S417-Q421 PolarHBondContact O-N 3.03Å; S417-Q421 VanDerWaalsContact O-N 3.08Å
418P87.7Confident88.6Confident93 Ų9361.6 Ų61.660%0.60436%0.356SS*.Hα-helixtrans-58-34.8-178.6-25.234.7000113.6Q421 H422P418-Q421 PolarHBondContact O-N 3.38Å; P418-H422 WeakPolarHBondContact O-CB 3.4Å; P418-H422 PolarHBondContact O-N 3.05Å
419E87.3Confident88.8Confident109 Ų10958.2 Ų58.251%0.50933%0.327SS..Hα-helixtrans-67.4-42.5-179.2-61.276.9-169.400111.7L210 S417 H422 L423L210-E419 HydrophobicContact CD2-CB 4.49Å; S417-E419 PolarHBondContact O-N 3.03Å; E419-H422 PolarHBondContact O-N 3.43Å; E419-L423 PolarHBondContact O-N 3.46Å
420A88.6Confident89Confident0 Ų057.6 Ų57.60%032%0.323CS..Hα-helixtrans-68.6-39.3177.200000111.3L210 H218 S417 L423 V424L210-A420 HydrophobicContact CD1-CB 3.62Å; L210-A420 HydrophobicContact CD2-CB 4.06Å; L210-A420 HydrophobicContact CG-CB 4.48Å; H218-A420 WeakPolarHBondContact CE1-CB 3.44Å; H218-A420 VanDerWaalsContact ND1-CB 3.31Å; H218-A420 WeakPolarHBondContact ND1-CB 3.33Å; S417-A420 PolarHBondContact O-N 3.47Å; S417-A420 VanDerWaalsContact OG-CB 3.3Å; S417-A420 WeakPolarHBondContact OG-CB 3.37Å; A420-L423 PolarHBondContact O-N 2.9Å; A420-V424 WeakPolarHBondContact O-CB 3.28Å; A420-V424 VanDerWaalsContact O-CG2 3.3Å; A420-V424 WeakPolarHBondContact O-CG2 3.27Å; A420-V424 PolarHBondContact O-N 3.23Å
421Q90.6Very high89.3Confident94 Ų9454 Ų5444%0.43929%0.291SS..Hα-helixtrans-59.3-50.2171.9-172.4-179.68.500111H218 S417 P418 L423 V424 H425H218-Q421 PolarHBondContact CD2-N 3.16Å; S417-Q421 PolarHBondContact O-N 3.03Å; S417-Q421 VanDerWaalsContact O-N 3.08Å; P418-Q421 PolarHBondContact O-N 3.38Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.4Å; Q421-V424 PolarHBondContact O-N 3.18Å; Q421-H425 PolarHBondContact O-CD2 3.47Å; Q421-H425 PolarHBondContact O-N 3.38Å
422H89.8Confident89.8Confident101 Ų10150.8 Ų50.847%0.46828%0.275SS..Hα-helixtrans-57.1-47.1180179.670.9000112P418 E419 H425 N426P418-H422 WeakPolarHBondContact O-CB 3.4Å; P418-H422 PolarHBondContact O-N 3.05Å; E419-H422 PolarHBondContact O-N 3.43Å; H422-H425 PolarHBondContact O-N 2.95Å; H422-N426 PolarHBondContact ND1-ND2 3.04Å; H422-N426 WeakPolarHBondContact O-CB 3.39Å; H422-N426 PolarHBondContact O-N 3.17Å; H422-N426 VanDerWaalsContact O-N 3.15Å; H422-N426 PolarHBondContact O-ND2 3.33Å
423L92.4Very high90.3Very high0 Ų051.5 Ų51.50%028%0.276CS..Hα-helixtrans-58.7-52.8176.2171.953.5000111.4H203 I206 L210 L215 W266 E419 A420 Q421 H425 N426 F427H203-L423 HydrophobicContact CB-CD1 3.42Å; H203-L423 VanDerWaalsContact CB-CD1 3.42Å; H203-L423 VanDerWaalsContact CD2-CD1 3.46Å; H203-L423 WeakPolarHBondContact CD2-CD1 3.23Å; I206-L423 HydrophobicContact CG2-CB 4.18Å; I206-L423 HydrophobicContact CG2-CD2 3.84Å; L210-L423 HydrophobicContact CD1-CD2 4.23Å; L215-L423 HydrophobicContact CD2-CD2 3.74Å; L215-L423 HydrophobicContact CD2-CG 4.49Å; W266-L423 HydrophobicContact CZ2-CD1 4.4Å; W266-L423 HydrophobicContact CZ2-CD2 4.43Å; E419-L423 PolarHBondContact O-N 3.46Å; A420-L423 PolarHBondContact O-N 2.9Å; Q421-L423 VanDerWaalsContact C-N 3.34Å; Q421-L423 PolarHBondContact O-N 3.4Å; L423-H425 VanDerWaalsContact C-N 3.26Å; L423-H425 PolarHBondContact O-N 3.31Å; L423-N426 PolarHBondContact O-N 3.22Å; L423-N426 VanDerWaalsContact O-N 3.14Å; L423-F427 HydrophobicContact CD1-CD1 4.13Å; L423-F427 HydrophobicContact CD1-CE1 4.02Å; L423-F427 HydrophobicContact CG-CE1 4.12Å; L423-F427 WeakPolarHBondContact O-CD1 3.39Å; L423-F427 VanDerWaalsContact O-CE1 3.24Å; L423-F427 WeakPolarHBondContact O-CE1 3.14Å
424V93.5Very high91Very high1 Ų156.4 Ų56.41%0.00628%0.278CS..Hα-helixtrans-58.6-38.8-177164.20000111.5H218 L219 Y222 R259 A420 Q421 F427H218-V424 HydrophobicContact CB-CB 4.22Å; H218-V424 HydrophobicContact CB-CG1 4.38Å; H218-V424 HydrophobicContact CB-CG2 3.74Å; L219-V424 HydrophobicContact CD2-CG1 4.12Å; L219-V424 HydrophobicContact CD2-CG2 4.12Å; L219-V424 HydrophobicContact CG-CG2 4.17Å; Y222-V424 HydrophobicContact CD1-CG1 3.88Å; Y222-V424 HydrophobicContact CG-CG1 4.48Å; R259-V424 PolarHBondContact NH1-O 2.99Å; R259-V424 VanDerWaalsContact NH2-CG1 3.33Å; R259-V424 PolarHBondContact NH2-O 2.83Å; A420-V424 WeakPolarHBondContact O-CB 3.28Å; A420-V424 VanDerWaalsContact O-CG2 3.3Å; A420-V424 WeakPolarHBondContact O-CG2 3.27Å; A420-V424 PolarHBondContact O-N 3.23Å; Q421-V424 PolarHBondContact O-N 3.18Å; V424-F427 HydrophobicContact CG2-CZ 4.45Å
425H91.6Very high91.7Very high25 Ų2553.8 Ų53.812%0.11625%0.254CS..Hα-helixtrans-78.7-20.2-179.4-78.1-107.4000114.2D92 Y222 Q421 H422 L423D92-H425 IonicContact OD1-CE1 3.49Å; D92-H425 PolarHBondContact OD1-CE1 2.76Å; D92-H425 IonicContact OD1-CG 3.64Å; D92-H425 IonicContact OD1-ND1 2.67Å; D92-H425 PolarHBondContact OD1-ND1 3.07Å; Y222-H425 AromaticContact CD2-CE1 3.83Å; Y222-H425 AromaticContact CE2-CE1 3.94Å; Y222-H425 AromaticContact CG-NE2 3.97Å; Q421-H425 PolarHBondContact O-CD2 3.47Å; Q421-H425 PolarHBondContact O-N 3.38Å; H422-H425 PolarHBondContact O-N 2.95Å; L423-H425 VanDerWaalsContact C-N 3.26Å; L423-H425 PolarHBondContact O-N 3.31Å
426N91.8Very high92.6Very high58 Ų5850.6 Ų50.631%0.3124%0.24SC..  trans-125.445-168.8-62.9-82.2000113.1H203 H422 L423 R428H203-N426 PolarHBondContact NE2-O 3.15Å; H422-N426 PolarHBondContact ND1-ND2 3.04Å; H422-N426 WeakPolarHBondContact O-CB 3.39Å; H422-N426 PolarHBondContact O-N 3.17Å; H422-N426 VanDerWaalsContact O-N 3.15Å; H422-N426 PolarHBondContact O-ND2 3.33Å; L423-N426 PolarHBondContact O-N 3.22Å; L423-N426 VanDerWaalsContact O-N 3.14Å; N426-R428 PolarHBondContact O-N 3.46Å
427F93.4Very high93.3Very high10 Ų1049.2 Ų49.24%0.04423%0.23CC..  trans-59.7139.3172.7-65.4-24.4000111.1L219 R259 E262 L263 W266 L423 V424 V429L219-F427 HydrophobicContact CD2-CE2 4.31Å; L219-F427 HydrophobicContact CD2-CZ 4.1Å; R259-F427 VanDerWaalsContact NH2-CE2 3.29Å; E262-F427 HydrophobicContact CG-CB 4.24Å; E262-F427 HydrophobicContact CG-CD2 4.29Å; L263-F427 HydrophobicContact CD1-CE2 3.97Å; L263-F427 HydrophobicContact CD1-CZ 4.42Å; W266-F427 HydrophobicContact CB-CB 4.34Å; W266-F427 HydrophobicContact CB-CD2 3.94Å; W266-F427 HydrophobicContact CB-CE2 4.39Å; W266-F427 HydrophobicContact CB-CG 4.07Å; W266-F427 AromaticContact CD1-CD1 3.65Å; W266-F427 AromaticContact CD1-CG 3.82Å; W266-F427 AromaticContact CD2-CD1 3.89Å; W266-F427 HydrophobicContact CD2-CD1 3.89Å; W266-F427 HydrophobicContact CD2-CD2 4.21Å; W266-F427 AromaticContact CD2-CE1 3.64Å; W266-F427 HydrophobicContact CD2-CE1 3.64Å; W266-F427 AromaticContact CD2-CE2 3.99Å; W266-F427 HydrophobicContact CD2-CE2 3.99Å; W266-F427 HydrophobicContact CD2-CG 4.18Å; W266-F427 AromaticContact CD2-CZ 3.7Å; W266-F427 HydrophobicContact CD2-CZ 3.7Å; W266-F427 AromaticContact CE2-CD1 3.74Å; W266-F427 AromaticContact CE2-CE1 3.44Å; W266-F427 VanDerWaalsContact CE2-CE1 3.44Å; W266-F427 AromaticContact CE2-CZ 3.94Å; W266-F427 HydrophobicContact CE3-CE1 4.08Å; W266-F427 AromaticContact CE3-CE2 3.98Å; W266-F427 HydrophobicContact CE3-CE2 3.98Å; W266-F427 AromaticContact CE3-CZ 3.7Å; W266-F427 HydrophobicContact CE3-CZ 3.7Å; W266-F427 HydrophobicContact CG-CB 4.26Å; W266-F427 AromaticContact CG-CD1 3.82Å; W266-F427 HydrophobicContact CG-CD1 3.82Å; W266-F427 AromaticContact CG-CD2 3.93Å; W266-F427 HydrophobicContact CG-CD2 3.93Å; W266-F427 HydrophobicContact CG-CE1 4.08Å; W266-F427 HydrophobicContact CG-CE2 4.19Å; W266-F427 AromaticContact CG-CG 3.75Å; W266-F427 HydrophobicContact CG-CG 3.75Å; W266-F427 HydrophobicContact CG-CZ 4.26Å; W266-F427 HydrophobicContact CH2-CE1 4.05Å; W266-F427 HydrophobicContact CH2-CZ 4.05Å; W266-F427 HydrophobicContact CZ2-CD1 4.39Å; W266-F427 AromaticContact CZ2-CE1 3.7Å; W266-F427 HydrophobicContact CZ2-CE1 3.7Å; W266-F427 HydrophobicContact CZ2-CZ 4.15Å; W266-F427 HydrophobicContact CZ3-CE1 4.21Å; W266-F427 HydrophobicContact CZ3-CE2 4.46Å; W266-F427 AromaticContact CZ3-CZ 3.8Å; W266-F427 HydrophobicContact CZ3-CZ 3.8Å; W266-F427 AromaticContact NE1-CD1 3.6Å; W266-F427 AromaticContact NE1-CE1 3.81Å; L423-F427 HydrophobicContact CD1-CD1 4.13Å; L423-F427 HydrophobicContact CD1-CE1 4.02Å; L423-F427 HydrophobicContact CG-CE1 4.12Å; L423-F427 WeakPolarHBondContact O-CD1 3.39Å; L423-F427 VanDerWaalsContact O-CE1 3.24Å; L423-F427 WeakPolarHBondContact O-CE1 3.14Å; V424-F427 HydrophobicContact CG2-CZ 4.45Å; F427-V429 HydrophobicContact CB-CG1 4.11Å
428R93Very high93.8Very high139 Ų13955 Ų5553%0.52526%0.255SS..  trans-114.6118.4169.5-63.8-63-171.4-175.8-1.5106.8P198 N426P198-R428 HydrophobicContact CB-CB 4.38Å; P198-R428 HydrophobicContact CG-CB 4.04Å; N426-R428 PolarHBondContact O-N 3.46Å
429V96Very high94.3Very high7 Ų752.2 Ų52.24%0.04223%0.234CC..  trans-124.5145.4-169.5-54.10000111.5H174 N175 E262 F265 W266 F427H174-V429 HydrophobicContact CB-CG2 4.05Å; N175-V429 PolarHBondContact ND2-O 3.2Å; E262-V429 HydrophobicContact CG-CG1 4.07Å; F265-V429 HydrophobicContact CB-CB 3.82Å; F265-V429 HydrophobicContact CB-CG1 4.21Å; F265-V429 HydrophobicContact CB-CG2 4.13Å; W266-V429 HydrophobicContact CB-CG1 3.79Å; F427-V429 HydrophobicContact CB-CG1 4.11Å
430I97.6Very high94.9Very high1 Ų147 Ų471%0.00521%0.21CC..  trans-87.3136.9158.3-58.9168.2000105.8P198 F265 T269 K435 F436 M439P198-I430 HydrophobicContact CG-CG1 4.38Å; F265-I430 WeakPolarHBondContact CB-O 3.42Å; T269-I430 HydrophobicContact CG2-CD1 4.18Å; T269-I430 HydrophobicContact CG2-CG1 4.06Å; T269-I430 PolarHBondContact OG1-N 3.23Å; I430-K435 HydrophobicContact CD1-CD 4.31Å; I430-K435 HydrophobicContact CG2-CB 4.26Å; I430-K435 HydrophobicContact CG2-CD 3.88Å; I430-K435 HydrophobicContact CG2-CG 4.19Å; I430-F436 HydrophobicContact CB-CD1 4.23Å; I430-F436 HydrophobicContact CB-CE1 3.55Å; I430-F436 HydrophobicContact CB-CZ 4.04Å; I430-F436 HydrophobicContact CD1-CE1 4.49Å; I430-F436 HydrophobicContact CG2-CD1 3.93Å; I430-F436 HydrophobicContact CG2-CE1 3.7Å; I430-F436 HydrophobicContact CG2-CZ 4.2Å; I430-F436 WeakPolarHBondContact O-CZ 3.33Å; I430-M439 HydrophobicContact CD1-CE 3.94Å; I430-M439 HydrophobicContact CD1-SD 3.5Å; I430-M439 VanDerWaalsContact CD1-SD 3.5Å
431D96.9Very high95.3Very high18 Ų1852.5 Ų52.510%0.09623%0.234CC..  trans-124.115177.365-17.3000112.3S154 H174 N175 F265S154-D431 VanDerWaalsContact CB-OD1 3.29Å; S154-D431 WeakPolarHBondContact CB-OD1 3.41Å; S154-D431 PolarHBondContact OG-OD1 2.83Å; H174-D431 HydrophobicContact CB-CB 4.33Å; H174-D431 WeakPolarHBondContact CB-OD2 3.46Å; H174-D431 PolarHBondContact N-OD2 3.24Å; N175-D431 VanDerWaalsContact CB-OD1 3.25Å; N175-D431 WeakPolarHBondContact CB-OD1 3.42Å; N175-D431 PolarHBondContact N-OD2 2.86Å; N175-D431 PolarHBondContact ND2-OD1 2.99Å; F265-D431 HydrophobicContact CD2-CB 3.72Å; F265-D431 HydrophobicContact CE1-CB 4.44Å; F265-D431 HydrophobicContact CE2-CB 3.64Å; F265-D431 HydrophobicContact CG-CB 4.17Å; F265-D431 HydrophobicContact CZ-CB 4.03Å
432D97.4Very high95.6Very high23 Ų2351.8 Ų51.812%0.12324%0.244CC..  trans-98.4111.2174.2175.720.8000111.7N155 R434 K435 F436N155-D432 HydrophobicContact CB-CB 4.47Å; N155-D432 WeakPolarHBondContact CB-OD1 3.4Å; D432-R434 PolarHBondContact O-N 3.49Å; D432-R434 WeakPolarHBondContact OD1-CB 3.24Å; D432-R434 PolarHBondContact OD1-N 3.03Å; D432-K435 HydrophobicContact CB-CB 4Å; D432-K435 PolarHBondContact O-N 3.06Å; D432-K435 WeakPolarHBondContact OD2-CB 3.43Å; D432-K435 PolarHBondContact OD2-N 3.41Å; D432-F436 WeakPolarHBondContact O-CG 3.45Å; D432-F436 PolarHBondContact O-N 3.33Å
433Q97.1Very high96Very high71 Ų7148.9 Ų48.933%0.33223%0.232SC..Hα-helixtrans-60.2-31.9176.3-171.560.93300113N312 F436 I437N312-Q433 PolarHBondContact ND2-OE1 3.49Å; N312-Q433 PolarHBondContact OD1-NE2 3.25Å; Q433-F436 PolarHBondContact O-N 3.01Å; Q433-I437 WeakPolarHBondContact O-CG1 3.05Å; Q433-I437 PolarHBondContact O-N 2.87Å; Q433-I437 VanDerWaalsContact O-N 3.08Å
434R96.2Very high96.2Very high183 Ų18349.2 Ų49.269%0.69123%0.233SC*.Hα-helixtrans-67.2-47.8177.9-63.4176.9177.2168.1-0.7110.2N155 D432 F436 I437 Q438N155-R434 PolarHBondContact O-NH1 3.15Å; N155-R434 VanDerWaalsContact O-NH1 3.13Å; D432-R434 PolarHBondContact O-N 3.49Å; D432-R434 WeakPolarHBondContact OD1-CB 3.24Å; D432-R434 PolarHBondContact OD1-N 3.03Å; R434-F436 VanDerWaalsContact C-N 3.35Å; R434-F436 PolarHBondContact O-N 3.09Å; R434-I437 PolarHBondContact O-N 2.92Å; R434-Q438 PolarHBondContact O-N 3.3Å
435K96.8Very high96.1Very high43 Ų4353 Ų5319%0.18726%0.258CS..Hα-helixtrans-58.4-43.7173.1-175.3170.2177.1-175.90112.2S196 I430 D432 I437 Q438 M439S196-K435 PolarHBondContact O-NZ 3.15Å; I430-K435 HydrophobicContact CD1-CD 4.31Å; I430-K435 HydrophobicContact CG2-CB 4.26Å; I430-K435 HydrophobicContact CG2-CD 3.88Å; I430-K435 HydrophobicContact CG2-CG 4.19Å; D432-K435 HydrophobicContact CB-CB 4Å; D432-K435 PolarHBondContact O-N 3.06Å; D432-K435 WeakPolarHBondContact OD2-CB 3.43Å; D432-K435 PolarHBondContact OD2-N 3.41Å; K435-I437 VanDerWaalsContact C-N 3.34Å; K435-I437 PolarHBondContact O-N 2.9Å; K435-Q438 WeakPolarHBondContact O-CB 3.35Å; K435-Q438 PolarHBondContact O-N 2.98Å; K435-Q438 VanDerWaalsContact O-N 3.14Å; K435-M439 HydrophobicContact CG-CG 4.33Å; K435-M439 HydrophobicContact CG-SD 3.99Å; K435-M439 WeakPolarHBondContact O-CG 3.49Å; K435-M439 PolarHBondContact O-N 3.41Å
436F98.1Very high95.7Very high0 Ų062.1 Ų62.10%029%0.292CS..Hα-helixtrans-56.9-45.4175.3-72.7-33.6000113.1F265 I268 L272 A314 I430 D432 Q433 R434 Q438 M439 S440F265-F436 AromaticContact CD1-CE2 3.87Å; F265-F436 HydrophobicContact CD1-CE2 3.87Å; F265-F436 HydrophobicContact CD1-CZ 4.25Å; F265-F436 HydrophobicContact CE1-CE2 4.42Å; I268-F436 HydrophobicContact CB-CE1 3.99Å; I268-F436 HydrophobicContact CB-CE2 4.07Å; I268-F436 HydrophobicContact CB-CZ 3.7Å; I268-F436 HydrophobicContact CD1-CD2 4.44Å; I268-F436 HydrophobicContact CD1-CE2 3.9Å; I268-F436 HydrophobicContact CD1-CZ 4.3Å; I268-F436 HydrophobicContact CG2-CB 4.36Å; I268-F436 HydrophobicContact CG2-CD1 3.57Å; I268-F436 HydrophobicContact CG2-CD2 3.75Å; I268-F436 HydrophobicContact CG2-CE1 3.45Å; I268-F436 VanDerWaalsContact CG2-CE1 3.45Å; I268-F436 HydrophobicContact CG2-CE2 3.71Å; I268-F436 HydrophobicContact CG2-CG 3.67Å; I268-F436 HydrophobicContact CG2-CZ 3.52Å; L272-F436 HydrophobicContact CD1-CB 3.84Å; L272-F436 HydrophobicContact CD1-CD1 3.52Å; L272-F436 HydrophobicContact CD1-CE1 4.31Å; L272-F436 HydrophobicContact CD1-CG 4.01Å; A314-F436 HydrophobicContact CB-CB 3.71Å; I430-F436 HydrophobicContact CB-CD1 4.23Å; I430-F436 HydrophobicContact CB-CE1 3.55Å; I430-F436 HydrophobicContact CB-CZ 4.04Å; I430-F436 HydrophobicContact CD1-CE1 4.49Å; I430-F436 HydrophobicContact CG2-CD1 3.93Å; I430-F436 HydrophobicContact CG2-CE1 3.7Å; I430-F436 HydrophobicContact CG2-CZ 4.2Å; I430-F436 WeakPolarHBondContact O-CZ 3.33Å; D432-F436 WeakPolarHBondContact O-CG 3.45Å; D432-F436 PolarHBondContact O-N 3.33Å; Q433-F436 PolarHBondContact O-N 3.01Å; R434-F436 VanDerWaalsContact C-N 3.35Å; R434-F436 PolarHBondContact O-N 3.09Å; F436-Q438 VanDerWaalsContact C-N 3.34Å; F436-Q438 PolarHBondContact O-N 2.9Å; F436-M439 PolarHBondContact O-N 3.15Å; F436-S440 VanDerWaalsContact O-CB 3.29Å; F436-S440 WeakPolarHBondContact O-CB 3.46Å; F436-S440 PolarHBondContact O-N 3.13Å
437I97.9Very high94.6Very high40 Ų4067.6 Ų67.621%0.20532%0.317CS..Hα-helixtrans-62.6-41.1176.1-68.5-63.5000111.5V313 A314 Q433 R434 K435 S440 K441V313-I437 HydrophobicContact CB-CD1 4.49Å; V313-I437 HydrophobicContact CG1-CD1 3.66Å; V313-I437 HydrophobicContact CG2-CD1 4.24Å; A314-I437 HydrophobicContact CB-CD1 4.25Å; Q433-I437 WeakPolarHBondContact O-CG1 3.05Å; Q433-I437 PolarHBondContact O-N 2.87Å; Q433-I437 VanDerWaalsContact O-N 3.08Å; R434-I437 PolarHBondContact O-N 2.92Å; K435-I437 VanDerWaalsContact C-N 3.34Å; K435-I437 PolarHBondContact O-N 2.9Å; I437-S440 PolarHBondContact O-N 3.32Å; I437-K441 HydrophobicContact CG2-CD 4.09Å; I437-K441 WeakPolarHBondContact O-CB 3.46Å; I437-K441 WeakPolarHBondContact O-CG 3.39Å; I437-K441 PolarHBondContact O-N 2.73Å
438Q97.2Very high93Very high140 Ų14076.3 Ų76.365%0.65436%0.355SS*.Hα-helixtrans-62.1-49.5177.6-175.4-176.611.900111.5R434 K435 F436 S440 K441 A442R434-Q438 PolarHBondContact O-N 3.3Å; K435-Q438 WeakPolarHBondContact O-CB 3.35Å; K435-Q438 PolarHBondContact O-N 2.98Å; K435-Q438 VanDerWaalsContact O-N 3.14Å; F436-Q438 VanDerWaalsContact C-N 3.34Å; F436-Q438 PolarHBondContact O-N 2.9Å; Q438-S440 VanDerWaalsContact C-N 3.34Å; Q438-S440 PolarHBondContact O-N 3.03Å; Q438-K441 PolarHBondContact O-N 3.42Å; Q438-A442 PolarHBondContact O-N 2.82Å
439M98.1Very high91Very high33 Ų3377.7 Ų77.716%0.16337%0.373CS..Hα-helixtrans-61.1-44.1178.3-67.7173.573.300111.4L272 L273 I430 K435 F436 K441 A442 L443L272-M439 HydrophobicContact CB-CB 4.2Å; L272-M439 HydrophobicContact CB-CE 3.85Å; L272-M439 HydrophobicContact CB-SD 4.45Å; L272-M439 HydrophobicContact CD1-CB 4.29Å; L273-M439 HydrophobicContact CD2-CE 3.61Å; L273-M439 HydrophobicContact CG-CE 4.12Å; I430-M439 HydrophobicContact CD1-CE 3.94Å; I430-M439 HydrophobicContact CD1-SD 3.5Å; I430-M439 VanDerWaalsContact CD1-SD 3.5Å; K435-M439 HydrophobicContact CG-CG 4.33Å; K435-M439 HydrophobicContact CG-SD 3.99Å; K435-M439 WeakPolarHBondContact O-CG 3.49Å; K435-M439 PolarHBondContact O-N 3.41Å; F436-M439 PolarHBondContact O-N 3.15Å; M439-K441 VanDerWaalsContact C-N 3.32Å; M439-K441 PolarHBondContact O-N 3.35Å; M439-A442 PolarHBondContact O-N 3.1Å; M439-A442 VanDerWaalsContact O-N 3.16Å; M439-L443 WeakPolarHBondContact O-CG 3.33Å; M439-L443 PolarHBondContact O-N 3.01Å
440S98.2Very high88.2Confident0 Ų086.1 Ų86.10%043%0.432CS..Hα-helixtrans-58.2-43.7175.9-179.60000112A314 R317 L318 F436 I437 Q438 A442 L443 E444A314-S440 WeakPolarHBondContact O-CB 3.49Å; A314-S440 PolarHBondContact O-OG 3.37Å; R317-S440 WeakPolarHBondContact CD-OG 3.49Å; R317-S440 WeakPolarHBondContact CG-OG 3.4Å; R317-S440 PolarHBondContact NH1-O 3.16Å; R317-S440 PolarHBondContact NH1-OG 3.08Å; L318-S440 WeakPolarHBondContact CD2-OG 3.36Å; F436-S440 VanDerWaalsContact O-CB 3.29Å; F436-S440 WeakPolarHBondContact O-CB 3.46Å; F436-S440 PolarHBondContact O-N 3.13Å; I437-S440 PolarHBondContact O-N 3.32Å; Q438-S440 VanDerWaalsContact C-N 3.34Å; Q438-S440 PolarHBondContact O-N 3.03Å; S440-A442 VanDerWaalsContact C-N 3.33Å; S440-L443 PolarHBondContact O-N 2.9Å; S440-E444 PolarHBondContact O-N 3.05Å
441K97.5Very high87.8Confident115 Ų11590.4 Ų90.450%0.545%0.454SS..Hα-helixtrans-67.2-33.8177.3-75.1173.9178.9177.60112.5R317 I437 Q438 M439 E444 P445R317-K441 VanDerWaalsContact NH1-CA 3.34Å; R317-K441 VanDerWaalsContact NH1-N 3.17Å; I437-K441 HydrophobicContact CG2-CD 4.09Å; I437-K441 WeakPolarHBondContact O-CB 3.46Å; I437-K441 WeakPolarHBondContact O-CG 3.39Å; I437-K441 PolarHBondContact O-N 2.73Å; Q438-K441 PolarHBondContact O-N 3.42Å; M439-K441 VanDerWaalsContact C-N 3.32Å; M439-K441 PolarHBondContact O-N 3.35Å; K441-E444 CarbonylContact O-C 3.53Å; K441-P445 VanDerWaalsContact O-CA 3.29Å; K441-P445 WeakPolarHBondContact O-CA 3.42Å; K441-P445 WeakPolarHBondContact O-CD 3.38Å; K441-P445 WeakPolarHBondContact O-CG 2.97Å; K441-P445 VanDerWaalsContact O-N 3.08Å
442A97.1Very high87.3Confident80 Ų8094.2 Ų94.266%0.66147%0.473SS*.Hα-helixtrans-69.4-39.7175.400000111.9Q438 M439 S440Q438-A442 PolarHBondContact O-N 2.82Å; M439-A442 PolarHBondContact O-N 3.1Å; M439-A442 VanDerWaalsContact O-N 3.16Å; S440-A442 VanDerWaalsContact C-N 3.33Å
443L97.4Very high86.7Confident39 Ų3998.2 Ų98.220%0.20449%0.492CS..Hα-helixtrans-68.1-44.3176.2-72.7178.9000112.7L272 T275 L318 M439 S440L272-L443 HydrophobicContact CD2-CD1 3.96Å; L272-L443 WeakPolarHBondContact O-CD1 3.48Å; T275-L443 HydrophobicContact CG2-CD2 4.41Å; L318-L443 HydrophobicContact CD2-CB 4.35Å; M439-L443 WeakPolarHBondContact O-CG 3.33Å; M439-L443 PolarHBondContact O-N 3.01Å; S440-L443 PolarHBondContact O-N 2.9Å
444E96.9Very high86.1Confident7 Ų799.8 Ų99.83%0.03350%0.501CS..SBendtrans-136.486.3-179.5-65-175.1-155.100110.3R280 R317 L318 S319 Q320 T321 S440 K441R280-E444 IonicContact CZ-OE1 3.89Å; R280-E444 IonicContact NE-OE1 3.93Å; R280-E444 IonicContact NH2-OE1 2.98Å; R280-E444 PolarHBondContact NH2-OE1 2.89Å; R317-E444 PolarHBondContact NH1-O 2.97Å; R317-E444 PolarHBondContact NH2-O 3.45Å; L318-E444 WeakPolarHBondContact CA-OE2 3.38Å; L318-E444 HydrophobicContact CD2-CB 3.95Å; L318-E444 HydrophobicContact CD2-CG 3.95Å; S319-E444 PolarHBondContact N-OE2 3.46Å; Q320-E444 HydrophobicContact CB-CG 4.43Å; Q320-E444 WeakPolarHBondContact CB-OE2 3.45Å; Q320-E444 PolarHBondContact N-OE2 3.08Å; T321-E444 WeakPolarHBondContact CB-OE1 3.47Å; T321-E444 PolarHBondContact N-OE1 3.21Å; T321-E444 PolarHBondContact OG1-OE1 3.06Å; S440-E444 PolarHBondContact O-N 3.05Å; K441-E444 CarbonylContact O-C 3.53Å
445P92.4Very high85.5Confident82 Ų8294.6 Ų94.653%0.53249%0.49SS..PPolyproline II helixtrans-59.5148.1173.3-22.333.1000110.8K441 M447K441-P445 VanDerWaalsContact O-CA 3.29Å; K441-P445 WeakPolarHBondContact O-CA 3.42Å; K441-P445 WeakPolarHBondContact O-CD 3.38Å; K441-P445 WeakPolarHBondContact O-CG 2.97Å; K441-P445 VanDerWaalsContact O-N 3.08Å; P445-M447 PolarHBondContact O-N 3.47Å
446R82.7Confident84.7Confident216 Ų21698 Ų9882%0.81551%0.51SS*.PPolyproline II helixtrans-63.5128.1168.3-73-175.6177.7170.9-1.3107.6K448R446-K448 PolarHBondContact O-N 2.89Å; R446-K448 VanDerWaalsContact O-N 3.13Å
447M69.2Low83.8Confident172 Ų172105 Ų10585%0.84755%0.546SS*.PPolyproline II helixtrans-56.4121.4165.5-70.6-164-86.300106.5P445 D449P445-M447 PolarHBondContact O-N 3.47Å; M447-D449 PolarHBondContact O-N 3.05Å
448K58.7Low82.7Confident193 Ų193110 Ų11084%0.83957%0.572SS**PPolyproline II helixtrans-64.6123.4164.4-75.7-176.1176.4-178.50104.6R446 S450R446-K448 PolarHBondContact O-N 2.89Å; R446-K448 VanDerWaalsContact O-N 3.13Å; K448-S450 VanDerWaalsContact C-N 3.34Å; K448-S450 PolarHBondContact O-N 3.07Å
449D52.7Low81.5Confident168 Ų168107.5 Ų107.590%0.89857%0.566SS**  trans-53.9106.8165.5-62.9-39.4000106.2M447M447-D449 PolarHBondContact O-N 3.05Å
450S36.9Very low80Confident185 Ų185114.3 Ų114.3100%1.29460%0.602SS**  trans-86.20172.555.20000109.6K448K448-S450 VanDerWaalsContact C-N 3.34Å; K448-S450 PolarHBondContact O-N 3.07Å

Retrieved 450 of 450 residues in 673.5 ms (Link to these results)

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