A0A077Z408_TRITR Loading...

5'-3' exoribonuclease

Possesses 5'->3' exoribonuclease activity. Plays a role in maintenance of steady-state concentration and turnover of microRNAs (miRNA) by degradation of mature miRNA. Degradation role is enhanced when in complex with paxt-1. Partially redundant to xrn-1 in miRNA guide strand degradation. Implicated in differential regulation of mRNAs such as let-7 by controlling the accumulation of mature miRNA. Positively regulates molting of the pharyngeal cuticle.

AlphaFold DB , UniProt , Accession A0A077Z408, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 820 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
1M44.4Very low68.6Low87 Ų8740.7 Ų40.743%0.42923%0.23SC..  0-175.90-59.9-179.8-63.200108.6F335 I338 T339 F347M1-F335 HydrophobicContact CE-CD1 4.27Å; M1-F335 HydrophobicContact CE-CD2 4.45Å; M1-F335 HydrophobicContact CE-CE1 3.62Å; M1-F335 HydrophobicContact CE-CE2 3.84Å; M1-F335 HydrophobicContact CE-CZ 3.38Å; M1-F335 HydrophobicContact SD-CE2 4.25Å; M1-F335 HydrophobicContact SD-CZ 4.38Å; M1-I338 HydrophobicContact CG-CG2 3.92Å; M1-I338 HydrophobicContact SD-CB 3.92Å; M1-I338 HydrophobicContact SD-CG2 3.58Å; M1-I338 VanDerWaalsContact SD-CG2 3.58Å; M1-T339 HydrophobicContact CE-CG2 4.06Å; M1-T339 WeakPolarHBondContact CE-OG1 3.39Å; M1-F347 HydrophobicContact CG-CE2 4.33Å; M1-F347 HydrophobicContact SD-CE2 3.57Å; M1-F347 VanDerWaalsContact SD-CE2 3.57Å; M1-F347 HydrophobicContact SD-CZ 4.08Å
2G53.6Low69.8Low21 Ų2141.6 Ų41.622%0.21624%0.24CC..  trans-131.1129.6162.100000107.8P4 A5 F6G2-P4 VanDerWaalsContact C-CD 3.43Å; G2-P4 VanDerWaalsContact C-N 3.29Å; G2-A5 WeakPolarHBondContact O-CB 3.29Å; G2-A5 PolarHBondContact O-N 3.06Å; G2-F6 PolarHBondContact O-N 3.3Å
3V54.8Low70.8Confident35 Ų3542.5 Ų42.521%0.21224%0.239CC..Hα-helixtrans-45.2-47.4179.5165.50000112.6A5 F6 F7 A232 A234V3-A5 PolarHBondContact O-N 3.49Å; V3-A5 VanDerWaalsContact O-N 3.14Å; V3-F6 PolarHBondContact O-N 2.91Å; V3-F7 PolarHBondContact O-N 3.17Å; V3-A232 WeakPolarHBondContact CG1-O 3.31Å; V3-A234 HydrophobicContact CG2-CB 4.13Å
4P64.2Low72.2Confident57 Ų5739.8 Ų39.837%0.3722%0.223SC..Hα-helixtrans-65.1-20.6179.5-22.434.9000114.5G2 R8 F255G2-P4 VanDerWaalsContact C-CD 3.43Å; G2-P4 VanDerWaalsContact C-N 3.29Å; P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 2.94Å; P4-R8 VanDerWaalsContact O-N 3.17Å; P4-F255 HydrophobicContact CB-CD1 4.33Å; P4-F255 HydrophobicContact CB-CE1 4.26Å
5A67.8Low73.3Confident54 Ų5442.1 Ų42.145%0.44624%0.241SC..Hα-helixtrans-82.1-39.5-177.600000112.5G2 V3 W9G2-A5 WeakPolarHBondContact O-CB 3.29Å; G2-A5 PolarHBondContact O-N 3.06Å; V3-A5 PolarHBondContact O-N 3.49Å; V3-A5 VanDerWaalsContact O-N 3.14Å; A5-W9 PolarHBondContact O-N 2.87Å
6F72.9Confident74.5Confident1 Ų141.8 Ų41.80%0.00424%0.242CC..Hα-helixtrans-71.2-51.7174.1175.1-115.3000110.6G2 V3 R8 W9 L10 A234 I237 M238 F335 F347 I352G2-F6 PolarHBondContact O-N 3.3Å; V3-F6 PolarHBondContact O-N 2.91Å; F6-R8 VanDerWaalsContact C-N 3.27Å; F6-R8 PolarHBondContact O-N 3.19Å; F6-W9 HydrophobicContact CD2-CE3 4.2Å; F6-W9 AromaticContact CE2-CE3 3.89Å; F6-W9 HydrophobicContact CE2-CE3 3.89Å; F6-W9 AromaticContact CE2-CZ3 3.99Å; F6-W9 HydrophobicContact CE2-CZ3 3.99Å; F6-W9 PolarHBondContact O-N 2.89Å; F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 HydrophobicContact CZ-CD1 4.27Å; F6-L10 HydrophobicContact CZ-CD2 4.41Å; F6-L10 PolarHBondContact O-N 3.34Å; F6-A234 HydrophobicContact CB-CB 4.29Å; F6-A234 HydrophobicContact CD1-CB 3.85Å; F6-A234 HydrophobicContact CG-CB 4.48Å; F6-I237 HydrophobicContact CD1-CD1 4.44Å; F6-I237 HydrophobicContact CE1-CB 4.25Å; F6-I237 HydrophobicContact CE1-CD1 3.97Å; F6-I237 HydrophobicContact CE1-CG2 4.34Å; F6-M238 HydrophobicContact CE1-CE 4.16Å; F6-M238 HydrophobicContact CE2-CE 4.2Å; F6-M238 HydrophobicContact CZ-CE 3.47Å; F6-M238 VanDerWaalsContact CZ-CE 3.47Å; F6-F335 AromaticContact CD1-CE2 3.84Å; F6-F335 HydrophobicContact CD1-CE2 3.84Å; F6-F335 HydrophobicContact CD2-CE2 4.37Å; F6-F335 HydrophobicContact CE1-CD2 4.46Å; F6-F335 HydrophobicContact CE1-CE2 4.06Å; F6-F335 HydrophobicContact CE2-CD2 4.45Å; F6-F335 HydrophobicContact CG-CE2 4Å; F6-F335 HydrophobicContact CZ-CD2 4.42Å; F6-F335 HydrophobicContact CZ-CE2 4.44Å; F6-F347 HydrophobicContact CB-CD2 4.35Å; F6-F347 HydrophobicContact CB-CE2 3.9Å; F6-F347 HydrophobicContact CB-CZ 4.21Å; F6-F347 HydrophobicContact CD2-CD1 4.14Å; F6-F347 AromaticContact CD2-CE1 3.5Å; F6-F347 HydrophobicContact CD2-CE1 3.5Å; F6-F347 AromaticContact CD2-CE2 3.94Å; F6-F347 HydrophobicContact CD2-CE2 3.94Å; F6-F347 AromaticContact CD2-CZ 3.39Å; F6-F347 HydrophobicContact CD2-CZ 3.39Å; F6-F347 AromaticContact CE2-CE1 3.97Å; F6-F347 HydrophobicContact CE2-CE1 3.97Å; F6-F347 HydrophobicContact CE2-CZ 4.1Å; F6-F347 HydrophobicContact CG-CE2 4.26Å; F6-F347 HydrophobicContact CG-CZ 4.06Å; F6-I352 HydrophobicContact CE2-CD1 3.88Å
7F77.3Confident75.5Confident24 Ų2439.4 Ų39.411%0.10523%0.228CC..Hα-helixtrans-55.6-42.9178.7177.4-111.6000111.9V3 L10 S11 V18 I237 I298 I300V3-F7 PolarHBondContact O-N 3.17Å; F7-L10 PolarHBondContact O-N 3.24Å; F7-S11 WeakPolarHBondContact O-CB 3.46Å; F7-S11 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-OG 2.87Å; F7-V18 HydrophobicContact CE2-CG2 4.08Å; F7-V18 HydrophobicContact CZ-CG2 3.93Å; F7-I237 HydrophobicContact CD2-CD1 4.45Å; F7-I298 HydrophobicContact CE1-CD1 4.08Å; F7-I298 HydrophobicContact CZ-CD1 3.64Å; F7-I300 HydrophobicContact CD2-CD1 3.76Å; F7-I300 HydrophobicContact CE2-CD1 3.43Å; F7-I300 VanDerWaalsContact CE2-CD1 3.43Å; F7-I300 HydrophobicContact CE2-CG1 3.89Å; F7-I300 HydrophobicContact CZ-CD1 4.41Å
8R76.8Confident76.4Confident111 Ų11139.7 Ų39.742%0.41923%0.23SC..Hα-helixtrans-67.2-33.6176.4-178.5175-178.61582.8114.2P4 F6 C12P4-R8 WeakPolarHBondContact O-CB 3.26Å; P4-R8 PolarHBondContact O-N 2.94Å; P4-R8 VanDerWaalsContact O-N 3.17Å; F6-R8 VanDerWaalsContact C-N 3.27Å; F6-R8 PolarHBondContact O-N 3.19Å; R8-C12 VanDerWaalsContact O-CB 3.22Å; R8-C12 WeakPolarHBondContact O-CB 3.49Å; R8-C12 PolarHBondContact O-N 3.08Å; R8-C12 PolarHBondContact O-SG 2.93Å
9W78Confident77.3Confident20 Ų2040.8 Ų40.88%0.07624%0.238CC..Hα-helixtrans-65.4-46.4172169.885.7000109.7A5 F6 C12 K13 I352A5-W9 PolarHBondContact O-N 2.87Å; F6-W9 HydrophobicContact CD2-CE3 4.2Å; F6-W9 AromaticContact CE2-CE3 3.89Å; F6-W9 HydrophobicContact CE2-CE3 3.89Å; F6-W9 AromaticContact CE2-CZ3 3.99Å; F6-W9 HydrophobicContact CE2-CZ3 3.99Å; F6-W9 PolarHBondContact O-N 2.89Å; W9-C12 PolarHBondContact O-N 3.13Å; W9-K13 HydrophobicContact CH2-CD 4.14Å; W9-K13 HydrophobicContact CZ2-CD 3.75Å; W9-K13 PolarHBondContact O-N 3.42Å; W9-I352 HydrophobicContact CE3-CD1 4.04Å; W9-I352 HydrophobicContact CH2-CB 3.9Å; W9-I352 HydrophobicContact CH2-CD1 3.53Å; W9-I352 HydrophobicContact CH2-CG1 4.3Å; W9-I352 HydrophobicContact CH2-CG2 3.73Å; W9-I352 HydrophobicContact CZ2-CB 3.94Å; W9-I352 HydrophobicContact CZ2-CD1 4.22Å; W9-I352 HydrophobicContact CZ2-CG2 4.08Å; W9-I352 HydrophobicContact CZ3-CD1 3.41Å; W9-I352 VanDerWaalsContact CZ3-CD1 3.41Å
10L81.9Confident78.1Confident6 Ų642.8 Ų42.83%0.03125%0.254CS..Hα-helixtrans-62.9-50.1-178.3-164.276000112.1F6 F7 C12 K13 Y14 I17 I237 L305F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 HydrophobicContact CZ-CD1 4.27Å; F6-L10 HydrophobicContact CZ-CD2 4.41Å; F6-L10 PolarHBondContact O-N 3.34Å; F7-L10 PolarHBondContact O-N 3.24Å; L10-C12 VanDerWaalsContact C-N 3.3Å; L10-C12 PolarHBondContact O-N 3.42Å; L10-K13 PolarHBondContact O-N 3.5Å; L10-K13 VanDerWaalsContact O-N 3.15Å; L10-Y14 HydrophobicContact CD1-CD2 3.63Å; L10-Y14 HydrophobicContact CD1-CE2 3.79Å; L10-Y14 HydrophobicContact CG-CD2 4.17Å; L10-Y14 PolarHBondContact O-N 3.32Å; L10-I17 HydrophobicContact CD2-CD1 3.58Å; L10-I17 HydrophobicContact CG-CD1 3.7Å; L10-I237 HydrophobicContact CD2-CD1 3.71Å; L10-I237 HydrophobicContact CD2-CG2 4.03Å; L10-L305 HydrophobicContact CD1-CD1 4.04Å; L10-L305 HydrophobicContact CD2-CD2 4.2Å
11S82.7Confident78.9Confident32 Ų3241.8 Ų41.822%0.22425%0.249CC..Hα-helixtrans-72-19.9179.563.20000114F7 P15F7-S11 WeakPolarHBondContact O-CB 3.46Å; F7-S11 PolarHBondContact O-N 3.42Å; F7-S11 PolarHBondContact O-OG 2.87Å; S11-P15 WeakPolarHBondContact O-CA 3.39Å
12C83.2Confident81.1Confident51 Ų5141.7 Ų41.735%0.34525%0.249SC..Hα-helixtrans-77.5-33168.2-73.50000112.6R8 W9 L10R8-C12 VanDerWaalsContact O-CB 3.22Å; R8-C12 WeakPolarHBondContact O-CB 3.49Å; R8-C12 PolarHBondContact O-N 3.08Å; R8-C12 PolarHBondContact O-SG 2.93Å; W9-C12 PolarHBondContact O-N 3.13Å; L10-C12 VanDerWaalsContact C-N 3.3Å; L10-C12 PolarHBondContact O-N 3.42Å
13K83.4Confident82.8Confident53 Ų5343.6 Ų43.623%0.2325%0.252CS..Hα-helixtrans-84-38.4-179.6-166.8-179.4174.8-168.30112.4W9 L10 D312 D353W9-K13 HydrophobicContact CH2-CD 4.14Å; W9-K13 HydrophobicContact CZ2-CD 3.75Å; W9-K13 PolarHBondContact O-N 3.42Å; L10-K13 PolarHBondContact O-N 3.5Å; L10-K13 VanDerWaalsContact O-N 3.15Å; K13-D312 WeakPolarHBondContact CE-OD2 3.5Å; K13-D312 IonicContact NZ-OD2 3.56Å; K13-D312 PolarHBondContact NZ-OD2 2.05Å; K13-D353 IonicContact NZ-OD1 3.55Å; K13-D353 PolarHBondContact NZ-OD1 3.45Å
14Y89.6Confident84.3Confident5 Ų544.5 Ų44.52%0.0225%0.254CS..  trans-126.971.1-175.9-48.9-50.3000109.6L10 S16 I17 L305 Y308 D312L10-Y14 HydrophobicContact CD1-CD2 3.63Å; L10-Y14 HydrophobicContact CD1-CE2 3.79Å; L10-Y14 HydrophobicContact CG-CD2 4.17Å; L10-Y14 PolarHBondContact O-N 3.32Å; Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 3.35Å; Y14-I17 VanDerWaalsContact O-CG1 3.3Å; Y14-I17 WeakPolarHBondContact O-CG1 3.45Å; Y14-I17 PolarHBondContact O-N 2.94Å; Y14-L305 HydrophobicContact CD2-CD1 3.43Å; Y14-L305 VanDerWaalsContact CD2-CD1 3.43Å; Y14-L305 HydrophobicContact CE2-CD1 3.78Å; Y14-L305 HydrophobicContact CG-CD1 4.23Å; Y14-Y308 AromaticContact CD1-CD1 3.62Å; Y14-Y308 HydrophobicContact CD1-CD1 3.62Å; Y14-Y308 AromaticContact CD1-CD2 3.99Å; Y14-Y308 HydrophobicContact CD1-CD2 3.99Å; Y14-Y308 HydrophobicContact CD1-CE1 4.16Å; Y14-Y308 HydrophobicContact CD1-CE2 4.47Å; Y14-Y308 AromaticContact CD1-CG 3.52Å; Y14-Y308 HydrophobicContact CD1-CG 3.52Å; Y14-Y308 HydrophobicContact CE1-CD1 4.22Å; Y14-Y308 HydrophobicContact CE1-CG 4.18Å; Y14-Y308 HydrophobicContact CG-CD1 4.44Å; Y14-Y308 HydrophobicContact CG-CD2 4Å; Y14-Y308 HydrophobicContact CG-CE2 4.47Å; Y14-Y308 AromaticContact CG-CG 3.97Å; Y14-Y308 HydrophobicContact CG-CG 3.97Å; Y14-D312 PolarHBondContact OH-OD2 3.27Å
15P89.3Confident85.1Confident75 Ų7545.9 Ų45.949%0.48726%0.255SS..G310 helixtrans-62.1-35.6-171.124.4-34.3000113.2S11 I17 V18S11-P15 WeakPolarHBondContact O-CA 3.39Å; P15-I17 PolarHBondContact O-N 2.85Å; P15-I17 VanDerWaalsContact O-N 3.09Å; P15-V18 PolarHBondContact O-N 3.26Å; P15-V18 VanDerWaalsContact O-N 3.17Å
16S91.5Very high85.3Confident37 Ų3747 Ų4726%0.25925%0.249SC..G310 helixtrans-69.5-5.1-175.5-50.70000115Y14 V18 I304 Y308Y14-S16 VanDerWaalsContact C-N 3.3Å; Y14-S16 PolarHBondContact O-N 3.35Å; S16-V18 VanDerWaalsContact C-N 3.28Å; S16-I304 WeakPolarHBondContact O-CD1 3.46Å; S16-Y308 PolarHBondContact OG-OH 3.01Å
17I92.2Very high85.5Confident0 Ų054.6 Ų54.60%028%0.278CS..G310 helixtrans-74.3-21.7172.577.8-174000112L10 Y14 P15 I300 R301 I304 L305 Y308L10-I17 HydrophobicContact CD2-CD1 3.58Å; L10-I17 HydrophobicContact CG-CD1 3.7Å; Y14-I17 VanDerWaalsContact O-CG1 3.3Å; Y14-I17 WeakPolarHBondContact O-CG1 3.45Å; Y14-I17 PolarHBondContact O-N 2.94Å; P15-I17 PolarHBondContact O-N 2.85Å; P15-I17 VanDerWaalsContact O-N 3.09Å; I17-I300 HydrophobicContact CD1-CG2 4.01Å; I17-I300 HydrophobicContact CG1-CG2 4.08Å; I17-I300 CarbonylContact O-C 3.59Å; I17-I300 WeakPolarHBondContact O-CA 3.35Å; I17-R301 PolarHBondContact O-N 3.2Å; I17-I304 HydrophobicContact CG2-CB 4.37Å; I17-I304 HydrophobicContact CG2-CG2 4.12Å; I17-L305 HydrophobicContact CG2-CB 3.97Å; I17-L305 HydrophobicContact CG2-CD1 4.33Å; I17-Y308 HydrophobicContact CG2-CD2 3.99Å; I17-Y308 HydrophobicContact CG2-CE2 4.14Å
18V92.3Very high85.2Confident45 Ų4559.5 Ų59.527%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-98.1126-175.7-175.60000110.2F7 P15 S16 I298 F299F7-V18 HydrophobicContact CE2-CG2 4.08Å; F7-V18 HydrophobicContact CZ-CG2 3.93Å; P15-V18 PolarHBondContact O-N 3.26Å; P15-V18 VanDerWaalsContact O-N 3.17Å; S16-V18 VanDerWaalsContact C-N 3.28Å; V18-I298 HydrophobicContact CG1-CB 4.16Å; V18-I298 HydrophobicContact CG1-CD1 4.01Å; V18-I298 HydrophobicContact CG1-CG2 4.3Å; V18-F299 WeakPolarHBondContact CA-O 3.26Å
19V92.8Very high85.3Confident61 Ų6157.3 Ų57.337%0.3732%0.316SS..EExtended strand (participates in β ladder)trans-131.2134176.6-176.10000108.6I298 F299V19-I298 CarbonylContact O-C 3.48Å; V19-I298 WeakPolarHBondContact O-CA 3.28Å; V19-F299 PolarHBondContact N-O 3.42Å; V19-F299 PolarHBondContact O-N 3.28Å
20S93.6Very high85.2Confident81 Ų8163.8 Ų63.857%0.56635%0.352SS*.EExtended strand (participates in β ladder)trans-69.5136.3172.7-59.10000110.6
21C93.9Very high85Confident22 Ų2268.3 Ų68.315%0.14938%0.38CS..  trans-72.1146.3174.9-60.30000110.8H43 I90 F297C21-H43 WeakPolarHBondContact CA-NE2 3.41Å; C21-I90 HydrophobicContact CB-CG2 3.97Å; C21-F297 HydrophobicContact CB-CB 3.86Å; C21-F297 PolarHBondContact N-O 2.98Å
22I91.8Very high84.6Confident84 Ų8471.2 Ų71.243%0.43139%0.39SS..  trans-93.9110.3171.8-57.1170.3000106.9P42 H43I22-P42 HydrophobicContact CB-CB 4.44Å; I22-P42 HydrophobicContact CB-CG 4.43Å; I22-P42 HydrophobicContact CG2-CB 4.01Å; I22-P42 HydrophobicContact CG2-CG 4.25Å; I22-H43 PolarHBondContact N-NE2 3.45Å
23E89.7Confident84.5Confident61 Ų6171.8 Ų71.829%0.28539%0.389SS..  trans-101.7108.7173.5-172.8178175.800108K25 R86 I90E23-K25 HydrophobicContact CG-CG 4.3Å; E23-K25 PolarHBondContact O-N 3.14Å; E23-K25 WeakPolarHBondContact OE1-CE 3.38Å; E23-K25 IonicContact OE1-NZ 3.86Å; E23-R86 IonicContact OE1-CZ 2.68Å; E23-R86 IonicContact OE1-NE 3.6Å; E23-R86 PolarHBondContact OE1-NE 3.41Å; E23-R86 IonicContact OE1-NH2 3.56Å; E23-R86 PolarHBondContact OE1-NH2 3.47Å; E23-R86 IonicContact OE2-CZ 3.47Å; E23-R86 IonicContact OE2-NE 3.09Å; E23-R86 IonicContact OE2-NH2 3.22Å; E23-R86 PolarHBondContact OE2-NH2 3.38Å; E23-I90 HydrophobicContact CB-CD1 4.5Å; E23-I90 HydrophobicContact CB-CG1 4.38Å; E23-I90 HydrophobicContact CG-CD1 4.31Å; E23-I90 HydrophobicContact CG-CG1 4.22Å
24E85.6Confident84.3Confident54 Ų5475 Ų7525%0.25242%0.415SS..  trans-69.8119.6172.8-75.5-174.77500109.4K26 V35 P42 R92E24-K26 WeakPolarHBondContact OE1-CE 3.26Å; E24-K26 IonicContact OE1-NZ 3.87Å; E24-K26 PolarHBondContact OE1-NZ 2.72Å; E24-K26 VanDerWaalsContact OE1-NZ 3.09Å; E24-V35 HydrophobicContact CB-CG1 4.14Å; E24-V35 HydrophobicContact CB-CG2 4.25Å; E24-V35 WeakPolarHBondContact O-CG2 3.34Å; E24-P42 HydrophobicContact CG-CG 4.34Å; E24-R92 IonicContact OE2-CZ 3.32Å; E24-R92 IonicContact OE2-NH1 3.13Å; E24-R92 IonicContact OE2-NH2 2.85Å; E24-R92 PolarHBondContact OE2-NH2 3.48Å
25K80.3Confident84.1Confident86 Ų8675.8 Ų75.837%0.37442%0.421SS..  trans-119.1108.8168.4-60.3-165.8179.9-162.30108.3E23 D294E23-K25 HydrophobicContact CG-CG 4.3Å; E23-K25 PolarHBondContact O-N 3.14Å; E23-K25 WeakPolarHBondContact OE1-CE 3.38Å; E23-K25 IonicContact OE1-NZ 3.86Å; K25-D294 IonicContact NZ-OD2 2.84Å; K25-D294 PolarHBondContact NZ-OD2 3.28Å
26K72.9Confident84.1Confident77 Ų7775.8 Ų75.834%0.33542%0.417SS..EExtended strand (participates in β ladder)trans-99.5122.8178.5-66.3176.7-175.71680107.7E24 I33 E39E24-K26 WeakPolarHBondContact OE1-CE 3.26Å; E24-K26 IonicContact OE1-NZ 3.87Å; E24-K26 PolarHBondContact OE1-NZ 2.72Å; E24-K26 VanDerWaalsContact OE1-NZ 3.09Å; K26-I33 HydrophobicContact CB-CB 4.24Å; K26-I33 PolarHBondContact O-N 2.83Å; K26-E39 IonicContact NZ-OE2 2.68Å; K26-E39 PolarHBondContact NZ-OE2 3.15Å
27R77Confident84.2Confident162 Ų16274.2 Ų74.261%0.61141%0.406SS*.EExtended strand (participates in β ladder)trans-128.9140.6175.9-68.5-170.9174.3-177-2.1110.4V31 E32R27-V31 CarbonylContact C-O 3.6Å; R27-V31 VanDerWaalsContact CA-O 3.29Å; R27-V31 WeakPolarHBondContact CA-O 3.41Å; R27-E32 HydrophobicContact CG-CB 4.16Å; R27-E32 HydrophobicContact CG-CG 4.13Å; R27-E32 IonicContact CZ-OE2 2.66Å; R27-E32 IonicContact NE-OE2 3.98Å; R27-E32 PolarHBondContact NE-OE2 2.78Å; R27-E32 IonicContact NH2-OE2 2.6Å; R27-E32 PolarHBondContact NH2-OE2 2.96Å
28I70.4Confident84.2Confident126 Ų12677.5 Ų77.565%0.64643%0.427SS*.EExtended strand (participates in β ladder)trans-121.1110.5166.6-69.4-178.1000107.2D30 V31 I33I28-D30 PolarHBondContact O-N 2.95Å; I28-V31 PolarHBondContact N-O 2.88Å; I28-V31 PolarHBondContact O-N 3.28Å; I28-I33 HydrophobicContact CB-CD1 3.95Å; I28-I33 HydrophobicContact CD1-CD1 3.47Å; I28-I33 VanDerWaalsContact CD1-CD1 3.47Å; I28-I33 HydrophobicContact CG1-CD1 3.49Å; I28-I33 VanDerWaalsContact CG1-CD1 3.49Å
29G79.1Confident84.2Confident66 Ų6678.8 Ų78.868%0.6843%0.43SS*.THydrogen-bonded Turntrans60.4-133.3-16600000110.7V31G29-V31 VanDerWaalsContact C-N 3.32Å
30D76.5Confident84.3Confident156 Ų15680.6 Ų80.683%0.83444%0.444SS*.THydrogen-bonded Turntrans-84.9-3176.9-57.6-53.8000113.3I28I28-D30 PolarHBondContact O-N 2.95Å
31V76.7Confident84.4Confident100 Ų10077 Ų7761%0.60642%0.418SS*.EExtended strand (participates in β ladder)trans-89.7122.1-179.2-175.80000110.4R27 I28 G29R27-V31 CarbonylContact C-O 3.6Å; R27-V31 VanDerWaalsContact CA-O 3.29Å; R27-V31 WeakPolarHBondContact CA-O 3.41Å; I28-V31 PolarHBondContact N-O 2.88Å; I28-V31 PolarHBondContact O-N 3.28Å; G29-V31 VanDerWaalsContact C-N 3.32Å
32E75.8Confident84.4Confident93 Ų9378.1 Ų78.144%0.43543%0.425SS..EExtended strand (participates in β ladder)trans-82.4128.5170.7-165150.6162.500110.6R27R27-E32 HydrophobicContact CG-CB 4.16Å; R27-E32 HydrophobicContact CG-CG 4.13Å; R27-E32 IonicContact CZ-OE2 2.66Å; R27-E32 IonicContact NE-OE2 3.98Å; R27-E32 PolarHBondContact NE-OE2 2.78Å; R27-E32 IonicContact NH2-OE2 2.6Å; R27-E32 PolarHBondContact NH2-OE2 2.96Å
33I79.8Confident84.4Confident64 Ų6476 Ų7633%0.32841%0.413SS..EExtended strand (participates in β ladder)trans-98.7128.7-175-63.1-177.6000108.5K26 I28 V35K26-I33 HydrophobicContact CB-CB 4.24Å; K26-I33 PolarHBondContact O-N 2.83Å; I28-I33 HydrophobicContact CB-CD1 3.95Å; I28-I33 HydrophobicContact CD1-CD1 3.47Å; I28-I33 VanDerWaalsContact CD1-CD1 3.47Å; I28-I33 HydrophobicContact CG1-CD1 3.49Å; I28-I33 VanDerWaalsContact CG1-CD1 3.49Å; I33-V35 PolarHBondContact O-N 3.29Å
34P80.6Confident84.5Confident119 Ų11976.4 Ų76.477%0.77343%0.434SS*.PPolyproline II helixtrans-51.9131.6175.4-28.435.7000112.6N36P34-N36 PolarHBondContact O-N 2.81Å
35V85.1Confident84.8Confident23 Ų2376.8 Ų76.814%0.13944%0.437CS..PPolyproline II helixtrans-74.3122.8177-178.80000109.1E24 I33 C37 R92E24-V35 HydrophobicContact CB-CG1 4.14Å; E24-V35 HydrophobicContact CB-CG2 4.25Å; E24-V35 WeakPolarHBondContact O-CG2 3.34Å; I33-V35 PolarHBondContact O-N 3.29Å; V35-C37 PolarHBondContact O-N 3.42Å; V35-C37 PolarHBondContact O-SG 3.41Å; V35-R92 VanDerWaalsContact CG1-NH2 3.31Å
36N89.6Confident85.6Confident75 Ų7576 Ų7640%0.40144%0.435SS..  trans-69.492175.3179.214.2000110.8P34 C38 E39P34-N36 PolarHBondContact O-N 2.81Å; N36-C38 PolarHBondContact O-N 2.9Å; N36-C38 VanDerWaalsContact O-N 3.17Å; N36-C38 WeakPolarHBondContact OD1-CB 3.33Å; N36-C38 PolarHBondContact OD1-N 3.46Å; N36-E39 HydrophobicContact CB-CG 4.32Å; N36-E39 WeakPolarHBondContact CB-OE1 3.38Å; N36-E39 PolarHBondContact ND2-OE1 2.77Å; N36-E39 WeakPolarHBondContact O-CB 3.48Å; N36-E39 PolarHBondContact O-N 3.47Å
37C92Very high86.7Confident4 Ų472.4 Ų72.43%0.02742%0.419CS..THydrogen-bonded Turntrans-74.1-2.5-176.5-65.90000114.1V35 E39 F88 N89 R92 R94 A187V35-C37 PolarHBondContact O-N 3.42Å; V35-C37 PolarHBondContact O-SG 3.41Å; C37-E39 VanDerWaalsContact C-N 3.28Å; C37-F88 HydrophobicContact CB-CE1 4.44Å; C37-N89 PolarHBondContact SG-OD1 2.67Å; C37-R92 HydrophobicContact CB-CG 4.08Å; C37-R94 PolarHBondContact O-NH1 3.18Å; C37-A187 HydrophobicContact CB-CB 3.63Å
38C92.3Very high87.7Confident68 Ų6866.4 Ų66.446%0.45940%0.399SS..THydrogen-bonded Turntrans-75.5-16.7166.1-57.40000112.5N36N36-C38 PolarHBondContact O-N 2.9Å; N36-C38 VanDerWaalsContact O-N 3.17Å; N36-C38 WeakPolarHBondContact OD1-CB 3.33Å; N36-C38 PolarHBondContact OD1-N 3.46Å
39E93.3Very high89.1Confident72 Ų7261 Ų6134%0.33637%0.372SS..SBendtrans-67.2151.6172.6-76.8160.3-153.700111.3K26 N36 C37 R92 R94K26-E39 IonicContact NZ-OE2 2.68Å; K26-E39 PolarHBondContact NZ-OE2 3.15Å; N36-E39 HydrophobicContact CB-CG 4.32Å; N36-E39 WeakPolarHBondContact CB-OE1 3.38Å; N36-E39 PolarHBondContact ND2-OE1 2.77Å; N36-E39 WeakPolarHBondContact O-CB 3.48Å; N36-E39 PolarHBondContact O-N 3.47Å; C37-E39 VanDerWaalsContact C-N 3.28Å; E39-R92 PolarHBondContact O-NH1 3.25Å; E39-R94 PolarHBondContact O-NH2 2.91Å
40P94.7Very high90Very high100 Ų10057.9 Ų57.965%0.64934%0.339SS*.PPolyproline II helixtrans-50.3143.3174-2735.1000112.1E46 R92P40-E46 VanDerWaalsContact CA-OE1 3.27Å; P40-E46 WeakPolarHBondContact CA-OE1 3.45Å; P40-R92 PolarHBondContact O-NH1 3.4Å
41N95.1Very high91Very high6 Ų650.6 Ų50.63%0.03230%0.3CS..PPolyproline II helixtrans-66.8127.6-175.4-172.6-52.2000110.4H43 G44 I45 E46 I90 I91N41-H43 PolarHBondContact O-N 2.94Å; N41-H43 WeakPolarHBondContact OD1-CB 3.41Å; N41-H43 PolarHBondContact OD1-N 3.42Å; N41-H43 PolarHBondContact OD1-ND1 3.31Å; N41-G44 PolarHBondContact O-N 2.85Å; N41-I45 WeakPolarHBondContact CB-O 3.38Å; N41-E46 PolarHBondContact N-OE1 2.79Å; N41-I90 PolarHBondContact ND2-O 3.28Å; N41-I91 PolarHBondContact ND2-O 2.87Å
42P94.5Very high92Very high45 Ų4545.8 Ų45.829%0.29227%0.271SS..THydrogen-bonded Turntrans-63-13.4-173.926-37.2000114.4I22 E24 G44I22-P42 HydrophobicContact CB-CB 4.44Å; I22-P42 HydrophobicContact CB-CG 4.43Å; I22-P42 HydrophobicContact CG2-CB 4.01Å; I22-P42 HydrophobicContact CG2-CG 4.25Å; E24-P42 HydrophobicContact CG-CG 4.34Å; P42-G44 PolarHBondContact O-N 3.34Å
43H92.4Very high93Very high39 Ų3942.1 Ų42.118%0.18126%0.255CS..THydrogen-bonded Turntrans-75.7-7.5174.2-58.294.8000113.8C21 I22 N41 I45 F299C21-H43 WeakPolarHBondContact CA-NE2 3.41Å; I22-H43 PolarHBondContact N-NE2 3.45Å; N41-H43 PolarHBondContact O-N 2.94Å; N41-H43 WeakPolarHBondContact OD1-CB 3.41Å; N41-H43 PolarHBondContact OD1-N 3.42Å; N41-H43 PolarHBondContact OD1-ND1 3.31Å; H43-I45 PolarHBondContact O-N 3.17Å; H43-F299 AromaticContact CD2-CE2 3.47Å; H43-F299 VanDerWaalsContact CD2-CE2 3.47Å; H43-F299 WeakPolarHBondContact CD2-CE2 3.41Å; H43-F299 AromaticContact CE1-CE2 3.76Å; H43-F299 AromaticContact CG-CE2 3.78Å; H43-F299 AromaticContact ND1-CE2 3.95Å; H43-F299 AromaticContact NE2-CE2 3.41Å; H43-F299 WeakPolarHBondContact NE2-CE2 3.3Å
44G91.4Very high93.8Very high70 Ų7039.1 Ų39.172%0.72224%0.239SC*.SBendtrans74.29.6-177.700000114.4N41 P42N41-G44 PolarHBondContact O-N 2.85Å; P42-G44 PolarHBondContact O-N 3.34Å
45I91.6Very high94.3Very high61 Ų6134.2 Ų34.231%0.31321%0.206SC..  trans-131.2137.8168.371.8176.4000108.6N41 H43 F47N41-I45 WeakPolarHBondContact CB-O 3.38Å; H43-I45 PolarHBondContact O-N 3.17Å; I45-F47 HydrophobicContact CD1-CD1 4.46Å; I45-F47 HydrophobicContact CD1-CE1 3.53Å; I45-F47 HydrophobicContact CD1-CE2 4.46Å; I45-F47 HydrophobicContact CD1-CZ 3.55Å; I45-F47 HydrophobicContact CG1-CE1 3.95Å; I45-F47 HydrophobicContact CG1-CE2 4.12Å; I45-F47 HydrophobicContact CG1-CZ 3.69Å
46E95.9Very high94.4Very high71 Ų7134.3 Ų34.333%0.33221%0.212SC..  trans-86.5155.4170.9-63.5-59.8154.600110.3P40 N41 R94 Q226P40-E46 VanDerWaalsContact CA-OE1 3.27Å; P40-E46 WeakPolarHBondContact CA-OE1 3.45Å; N41-E46 PolarHBondContact N-OE1 2.79Å; E46-R94 HydrophobicContact CB-CG 4.47Å; E46-R94 IonicContact OE1-NH2 2.69Å; E46-R94 IonicContact OE2-CZ 3.74Å; E46-R94 IonicContact OE2-NE 3.74Å; E46-R94 PolarHBondContact OE2-NE 2.76Å; E46-R94 IonicContact OE2-NH2 3.78Å; E46-R94 PolarHBondContact OE2-NH2 3.49Å; E46-Q226 WeakPolarHBondContact O-CB 2.93Å; E46-Q226 WeakPolarHBondContact O-CG 3.34Å
47F97.5Very high94.5Very high0 Ų030.7 Ų30.70%019%0.192CC..EExtended strand (participates in β ladder)trans-121.8130.2178-63.1-70.1000110.3I45 I91 P93 R94 Q226 V228 F299I45-F47 HydrophobicContact CD1-CD1 4.46Å; I45-F47 HydrophobicContact CD1-CE1 3.53Å; I45-F47 HydrophobicContact CD1-CE2 4.46Å; I45-F47 HydrophobicContact CD1-CZ 3.55Å; I45-F47 HydrophobicContact CG1-CE1 3.95Å; I45-F47 HydrophobicContact CG1-CE2 4.12Å; I45-F47 HydrophobicContact CG1-CZ 3.69Å; F47-I91 HydrophobicContact CB-CG2 3.97Å; F47-I91 HydrophobicContact CD2-CG2 4.02Å; F47-I91 WeakPolarHBondContact CD2-O 3.38Å; F47-I91 HydrophobicContact CG-CG2 4.21Å; F47-P93 CarbonylContact O-C 3.57Å; F47-P93 WeakPolarHBondContact O-CA 3.32Å; F47-R94 PolarHBondContact O-N 2.87Å; F47-Q226 HydrophobicContact CD1-CB 4.21Å; F47-V228 HydrophobicContact CB-CG2 3.95Å; F47-V228 HydrophobicContact CD1-CG2 3.08Å; F47-V228 HydrophobicContact CD2-CG2 4.06Å; F47-V228 HydrophobicContact CE1-CG2 3.36Å; F47-V228 HydrophobicContact CE2-CG2 4.29Å; F47-V228 HydrophobicContact CG-CG2 3.44Å; F47-V228 VanDerWaalsContact CG-CG2 3.44Å; F47-V228 HydrophobicContact CZ-CG2 3.95Å; F47-F299 HydrophobicContact CE2-CE2 4.24Å; F47-F299 AromaticContact CE2-CZ 3.84Å; F47-F299 HydrophobicContact CE2-CZ 3.84Å; F47-F299 HydrophobicContact CZ-CE1 4.41Å; F47-F299 HydrophobicContact CZ-CE2 4.07Å; F47-F299 AromaticContact CZ-CZ 3.86Å; F47-F299 HydrophobicContact CZ-CZ 3.86Å
48D98Very high94.7Very high36 Ų3630.5 Ų30.519%0.19319%0.191CC..EExtended strand (participates in β ladder)trans-81.7-56-178.4-71.2-71.3000111.1R94 R95 L96 L225 Q226D48-R94 PolarHBondContact O-N 3.12Å; D48-R95 HydrophobicContact CB-CB 4.46Å; D48-R95 HydrophobicContact CB-CG 4.19Å; D48-R95 WeakPolarHBondContact O-CA 3.44Å; D48-R95 WeakPolarHBondContact O-CB 3.28Å; D48-R95 PolarHBondContact O-N 2.82Å; D48-R95 WeakPolarHBondContact OD1-CD 3.41Å; D48-L96 PolarHBondContact O-N 3.03Å; D48-L225 HydrophobicContact CB-CB 4.36Å; D48-L225 HydrophobicContact CB-CD2 3.86Å; D48-L225 WeakPolarHBondContact OD2-CA 3.47Å; D48-Q226 PolarHBondContact N-O 3.43Å; D48-Q226 PolarHBondContact OD2-N 2.87Å
49N98.4Very high94.5Very high13 Ų1330.6 Ų30.67%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-122119.3-168.7-61.1-19.4000110.4Y51 L96 Q226 V228N49-Y51 HydrophobicContact CB-CE1 4.48Å; N49-Y51 HydrophobicContact CB-CE2 3.71Å; N49-Y51 VanDerWaalsContact CB-OH 3.27Å; N49-Y51 WeakPolarHBondContact CB-OH 3.42Å; N49-Y51 PolarHBondContact ND2-OH 3.01Å; N49-L96 WeakPolarHBondContact CA-O 3.13Å; N49-L96 HydrophobicContact CB-CB 4.16Å; N49-L96 HydrophobicContact CB-CD2 4.32Å; N49-L96 VanDerWaalsContact OD1-CB 3.31Å; N49-L96 WeakPolarHBondContact OD1-CB 3.45Å; N49-Q226 PolarHBondContact N-O 3.37Å; N49-Q226 VanDerWaalsContact N-O 3.11Å; N49-V228 PolarHBondContact O-N 2.8Å
50F98.4Very high94.3Very high1 Ų129.7 Ų29.70%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-108.8124175.4-174.5-153.5000110.7L52 L87 I91 P93 L96 L97 Y98 V228 C230 I251F50-L52 HydrophobicContact CD1-CD2 4.3Å; F50-L52 HydrophobicContact CD2-CD2 4.37Å; F50-L52 HydrophobicContact CE1-CD2 3.58Å; F50-L52 HydrophobicContact CE1-CG 4.34Å; F50-L52 HydrophobicContact CE2-CD2 3.67Å; F50-L52 HydrophobicContact CZ-CD2 3.22Å; F50-L52 HydrophobicContact CZ-CG 4.36Å; F50-L87 HydrophobicContact CE1-CB 3.93Å; F50-L87 HydrophobicContact CZ-CB 3.91Å; F50-L87 HydrophobicContact CZ-CD1 4.28Å; F50-L87 HydrophobicContact CZ-CD2 4.49Å; F50-L87 HydrophobicContact CZ-CG 4.48Å; F50-I91 HydrophobicContact CB-CG2 3.93Å; F50-I91 HydrophobicContact CD1-CB 3.98Å; F50-I91 HydrophobicContact CD1-CG1 4.08Å; F50-I91 HydrophobicContact CD1-CG2 4.02Å; F50-I91 HydrophobicContact CD2-CB 4.47Å; F50-I91 HydrophobicContact CD2-CG1 4.07Å; F50-I91 HydrophobicContact CD2-CG2 4.05Å; F50-I91 HydrophobicContact CE1-CB 4.06Å; F50-I91 HydrophobicContact CE1-CG1 3.74Å; F50-I91 HydrophobicContact CE2-CG1 3.74Å; F50-I91 HydrophobicContact CG-CB 4.2Å; F50-I91 HydrophobicContact CG-CG1 4.25Å; F50-I91 HydrophobicContact CG-CG2 3.76Å; F50-I91 HydrophobicContact CZ-CB 4.35Å; F50-I91 HydrophobicContact CZ-CG1 3.55Å; F50-P93 HydrophobicContact CB-CB 3.79Å; F50-P93 HydrophobicContact CB-CG 4.04Å; F50-P93 HydrophobicContact CD1-CG 4.41Å; F50-L96 PolarHBondContact N-O 3.41Å; F50-L97 HydrophobicContact CB-CD1 4.29Å; F50-L97 HydrophobicContact CD1-CD1 3.71Å; F50-L97 HydrophobicContact CE1-CD1 4.44Å; F50-L97 HydrophobicContact CG-CD1 4.22Å; F50-L97 CarbonylContact O-C 3.47Å; F50-L97 WeakPolarHBondContact O-CA 3.1Å; F50-Y98 PolarHBondContact O-N 3.49Å; F50-V228 CarbonylContact C-O 3.59Å; F50-V228 WeakPolarHBondContact CA-O 3.47Å; F50-V228 HydrophobicContact CD2-CB 3.92Å; F50-V228 HydrophobicContact CD2-CG1 3.96Å; F50-V228 WeakPolarHBondContact CD2-O 3.26Å; F50-V228 HydrophobicContact CE2-CB 4.48Å; F50-V228 HydrophobicContact CE2-CG1 4.01Å; F50-C230 HydrophobicContact CE2-CB 3.81Å; F50-C230 HydrophobicContact CZ-CB 4.06Å; F50-I251 HydrophobicContact CE2-CG2 3.84Å; F50-I251 HydrophobicContact CZ-CG2 4.28Å
51Y98.5Very high94.1Very high2 Ų225.2 Ų25.21%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-112127.9-179.8-48.5-89.1000109.6N49 L96 Y98 I208 F211 I212 H227 V228 I229 C230N49-Y51 HydrophobicContact CB-CE1 4.48Å; N49-Y51 HydrophobicContact CB-CE2 3.71Å; N49-Y51 VanDerWaalsContact CB-OH 3.27Å; N49-Y51 WeakPolarHBondContact CB-OH 3.42Å; N49-Y51 PolarHBondContact ND2-OH 3.01Å; Y51-L96 HydrophobicContact CE1-CD2 4.05Å; Y51-Y98 CarbonylContact C-O 3.59Å; Y51-Y98 WeakPolarHBondContact CA-O 3.24Å; Y51-Y98 HydrophobicContact CD1-CG 4.14Å; Y51-I208 HydrophobicContact CD1-CG1 4.42Å; Y51-I208 HydrophobicContact CD1-CG2 3.57Å; Y51-I208 HydrophobicContact CD2-CG2 4.34Å; Y51-I208 HydrophobicContact CE1-CG2 4.35Å; Y51-I208 HydrophobicContact CG-CG2 3.59Å; Y51-F211 AromaticContact CE1-CD1 3.88Å; Y51-F211 HydrophobicContact CE1-CD1 3.88Å; Y51-F211 HydrophobicContact CE1-CE1 4.03Å; Y51-I212 HydrophobicContact CD1-CD1 4.44Å; Y51-I212 HydrophobicContact CD2-CD1 4.29Å; Y51-I212 HydrophobicContact CE1-CD1 4.06Å; Y51-I212 HydrophobicContact CE1-CG1 3.83Å; Y51-I212 HydrophobicContact CE2-CD1 3.91Å; Y51-I212 HydrophobicContact CE2-CG1 4.31Å; Y51-H227 HydrophobicContact CE2-CB 4Å; Y51-H227 AromaticContact CE2-ND1 3.46Å; Y51-H227 WeakPolarHBondContact CE2-ND1 3.39Å; Y51-H227 AromaticContact CZ-ND1 3.63Å; Y51-H227 PolarHBondContact OH-CE1 3.17Å; Y51-H227 PolarHBondContact OH-ND1 2.85Å; Y51-V228 VanDerWaalsContact CD2-O 3.28Å; Y51-V228 WeakPolarHBondContact CD2-O 3.28Å; Y51-V228 PolarHBondContact N-O 3.12Å; Y51-I229 CarbonylContact O-C 3.59Å; Y51-I229 WeakPolarHBondContact O-CA 3.34Å; Y51-C230 PolarHBondContact O-N 3.26Å
52L97.8Very high93.8Very high0 Ų024.9 Ų24.90%015%0.154CC..EExtended strand (participates in β ladder)trans-107.6116176.4-62.1-176.8000110F50 M54 I57 I84 L87 L97 Y98 M99 A100 C230F50-L52 HydrophobicContact CD1-CD2 4.3Å; F50-L52 HydrophobicContact CD2-CD2 4.37Å; F50-L52 HydrophobicContact CE1-CD2 3.58Å; F50-L52 HydrophobicContact CE1-CG 4.34Å; F50-L52 HydrophobicContact CE2-CD2 3.67Å; F50-L52 HydrophobicContact CZ-CD2 3.22Å; F50-L52 HydrophobicContact CZ-CG 4.36Å; L52-M54 HydrophobicContact CB-CG 4.49Å; L52-M54 HydrophobicContact CB-SD 3.83Å; L52-M54 HydrophobicContact CD1-SD 4.02Å; L52-M54 PolarHBondContact O-N 2.72Å; L52-I57 HydrophobicContact CB-CD1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.17Å; L52-I57 HydrophobicContact CD2-CD1 4.2Å; L52-I84 HydrophobicContact CD1-CG1 4.41Å; L52-I84 HydrophobicContact CD1-CG2 3.93Å; L52-L87 HydrophobicContact CD2-CD1 3.78Å; L52-L97 HydrophobicContact CD1-CD1 4.06Å; L52-L97 HydrophobicContact CG-CD1 4.12Å; L52-Y98 PolarHBondContact N-O 2.96Å; L52-M99 HydrophobicContact CD1-CE 4.43Å; L52-M99 HydrophobicContact CD1-CG 4.28Å; L52-A100 PolarHBondContact O-N 3.12Å; L52-C230 HydrophobicContact CD2-CB 3.5Å
53D95.9Very high93.2Very high16 Ų1626.4 Ų26.49%0.08616%0.157CC..EExtended strand (participates in β ladder)trans-73.3100154.3172.27.9000107.7N55 G56 C230D53-N55 PolarHBondContact O-N 2.99Å; D53-N55 PolarHBondContact OD1-N 3.49Å; D53-N55 VanDerWaalsContact OD1-N 3.14Å; D53-G56 PolarHBondContact O-N 3.3Å; D53-G56 VanDerWaalsContact O-N 3.16Å; D53-C230 WeakPolarHBondContact CB-O 3.46Å; D53-C230 PolarHBondContact N-O 3.22Å
54M96Very high92.6Very high0 Ų025.6 Ų25.60%016%0.156CC..THydrogen-bonded Turntrans-66.3-27.9-174.2-65.5-64.4-62.500111.9L52 G56 I57 I58 I80 I84 M99 A100 I101 L174L52-M54 HydrophobicContact CB-CG 4.49Å; L52-M54 HydrophobicContact CB-SD 3.83Å; L52-M54 HydrophobicContact CD1-SD 4.02Å; L52-M54 PolarHBondContact O-N 2.72Å; M54-G56 PolarHBondContact O-N 2.77Å; M54-I57 WeakPolarHBondContact O-CA 3.46Å; M54-I57 WeakPolarHBondContact O-CB 3.31Å; M54-I57 PolarHBondContact O-N 2.72Å; M54-I57 HydrophobicContact SD-CD1 4.27Å; M54-I58 HydrophobicContact CB-CD1 4.03Å; M54-I58 WeakPolarHBondContact O-CD1 3.48Å; M54-I58 VanDerWaalsContact O-CG1 3.22Å; M54-I58 WeakPolarHBondContact O-CG1 3.41Å; M54-I58 PolarHBondContact O-N 2.84Å; M54-I80 HydrophobicContact CE-CG2 4.37Å; M54-I84 HydrophobicContact CE-CD1 3.99Å; M54-I84 HydrophobicContact CE-CG1 4.43Å; M54-M99 HydrophobicContact CE-CE 3.81Å; M54-M99 HydrophobicContact CG-CB 4.3Å; M54-M99 HydrophobicContact SD-CB 4.1Å; M54-M99 HydrophobicContact SD-CE 3.76Å; M54-A100 VanDerWaalsContact CB-O 3.29Å; M54-A100 WeakPolarHBondContact CB-O 2.99Å; M54-A100 WeakPolarHBondContact CG-O 3.3Å; M54-A100 PolarHBondContact N-O 3.27Å; M54-I101 HydrophobicContact CB-CB 4.48Å; M54-I101 HydrophobicContact CB-CG1 3.87Å; M54-I101 HydrophobicContact CG-CG1 3.9Å; M54-L174 HydrophobicContact CE-CD1 3.92Å; M54-L174 HydrophobicContact CE-CD2 3.93Å
55N91.8Very high91.6Very high17 Ų1727.8 Ų27.89%0.09115%0.147CC..Hα-helixtrans-66-29.8177.4-80.531.9000111.2D53 I57 H59 D102D53-N55 PolarHBondContact O-N 2.99Å; D53-N55 PolarHBondContact OD1-N 3.49Å; D53-N55 VanDerWaalsContact OD1-N 3.14Å; N55-I57 PolarHBondContact O-N 3.23Å; N55-H59 PolarHBondContact O-CD2 2.75Å; N55-H59 PolarHBondContact O-N 3.27Å; N55-D102 VanDerWaalsContact ND2-CB 3.28Å; N55-D102 WeakPolarHBondContact ND2-CB 3.37Å; N55-D102 PolarHBondContact ND2-OD2 2.83Å; N55-D102 PolarHBondContact OD1-N 3.43Å
56G86.8Confident90.5Very high24 Ų2427.5 Ų27.525%0.24715%0.146CC..Hα-helixtrans-64.4-15.3168.900000115.2D53 M54 P60D53-G56 PolarHBondContact O-N 3.3Å; D53-G56 VanDerWaalsContact O-N 3.16Å; M54-G56 PolarHBondContact O-N 2.77Å; G56-P60 WeakPolarHBondContact O-CD 3.45Å; G56-P60 WeakPolarHBondContact O-CG 3.41Å
57I93.2Very high89.4Confident0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-105.2-46.9179.7-59.8174.2000111.1L52 M54 N55 H59 P60 C61 Y83 I84 L87L52-I57 HydrophobicContact CB-CD1 4.44Å; L52-I57 HydrophobicContact CD1-CD1 4.17Å; L52-I57 HydrophobicContact CD2-CD1 4.2Å; M54-I57 WeakPolarHBondContact O-CA 3.46Å; M54-I57 WeakPolarHBondContact O-CB 3.31Å; M54-I57 PolarHBondContact O-N 2.72Å; M54-I57 HydrophobicContact SD-CD1 4.27Å; N55-I57 PolarHBondContact O-N 3.23Å; I57-H59 PolarHBondContact O-N 3.45Å; I57-P60 WeakPolarHBondContact O-CD 3.44Å; I57-C61 PolarHBondContact O-N 3.43Å; I57-C61 VanDerWaalsContact O-N 3.16Å; I57-C61 PolarHBondContact O-SG 3.11Å; I57-Y83 HydrophobicContact CB-CD1 4.28Å; I57-Y83 HydrophobicContact CD1-CD1 4.17Å; I57-Y83 HydrophobicContact CD1-CE1 4.45Å; I57-Y83 HydrophobicContact CG1-CD1 3.9Å; I57-Y83 HydrophobicContact CG1-CE1 3.89Å; I57-Y83 HydrophobicContact CG2-CD1 3.58Å; I57-Y83 HydrophobicContact CG2-CE1 4.25Å; I57-Y83 HydrophobicContact CG2-CG 3.86Å; I57-I84 HydrophobicContact CD1-CG1 4.48Å; I57-L87 HydrophobicContact CD1-CD1 3.74Å; I57-L87 HydrophobicContact CG1-CD1 4.41Å
58I94.2Very high88.3Confident0 Ų033.3 Ų33.30%018%0.181CC..Hα-helixtrans-58.1-47.1-177.3-61.8154.7000110.6M54 C61 C62 I80 I101 I160 F166 L170M54-I58 HydrophobicContact CB-CD1 4.03Å; M54-I58 WeakPolarHBondContact O-CD1 3.48Å; M54-I58 VanDerWaalsContact O-CG1 3.22Å; M54-I58 WeakPolarHBondContact O-CG1 3.41Å; M54-I58 PolarHBondContact O-N 2.84Å; I58-C61 PolarHBondContact O-N 3.41Å; I58-C62 PolarHBondContact O-N 2.83Å; I58-C62 PolarHBondContact O-SG 3.32Å; I58-C62 VanDerWaalsContact O-SG 3.36Å; I58-I80 HydrophobicContact CB-CD1 4.48Å; I58-I80 HydrophobicContact CG1-CD1 4.15Å; I58-I80 HydrophobicContact CG2-CD1 4.37Å; I58-I101 HydrophobicContact CD1-CG2 4.49Å; I58-I160 HydrophobicContact CG2-CD1 3.95Å; I58-I160 HydrophobicContact CG2-CG1 4.06Å; I58-I160 HydrophobicContact CG2-CG2 4.02Å; I58-F166 HydrophobicContact CG2-CE1 4.12Å; I58-F166 HydrophobicContact CG2-CZ 4.26Å; I58-L170 HydrophobicContact CD1-CD2 3.54Å; I58-L170 HydrophobicContact CG1-CD2 3.93Å
59H90Very high87.4Confident70 Ų7034.8 Ų34.832%0.32420%0.198SC..Hα-helixtrans-57.7-56.6-179.1-85.3-85.7000112.6N55 I57 C61 C62 H63N55-H59 PolarHBondContact O-CD2 2.75Å; N55-H59 PolarHBondContact O-N 3.27Å; I57-H59 PolarHBondContact O-N 3.45Å; H59-C61 VanDerWaalsContact C-N 3.26Å; H59-C61 PolarHBondContact O-N 2.9Å; H59-C62 PolarHBondContact O-N 3.38Å; H59-H63 AromaticContact CG-CE1 3.73Å; H59-H63 AromaticContact CG-NE2 3.79Å; H59-H63 AromaticContact ND1-CE1 3.08Å; H59-H63 PolarHBondContact ND1-CE1 3.1Å; H59-H63 AromaticContact ND1-NE2 3.11Å; H59-H63 PolarHBondContact ND1-NE2 3.39Å; H59-H63 VanDerWaalsContact ND1-NE2 3.11Å; H59-H63 PolarHBondContact O-CE1 2.94Å; H59-H63 VanDerWaalsContact O-CE1 3.24Å; H59-H63 PolarHBondContact O-N 3.28Å; H59-H63 VanDerWaalsContact O-N 3.09Å; H59-H63 PolarHBondContact O-ND1 3.4Å; H59-H63 PolarHBondContact O-NE2 3.39Å
60P87.9Confident86.7Confident52 Ų5235.1 Ų35.134%0.33820%0.201SC..Hα-helixtrans-58.6-29174.9-2835.5000115.8G56 I57 P64G56-P60 WeakPolarHBondContact O-CD 3.45Å; G56-P60 WeakPolarHBondContact O-CG 3.41Å; I57-P60 WeakPolarHBondContact O-CD 3.44Å; P60-P64 WeakPolarHBondContact O-CA 3.39Å; P60-P64 WeakPolarHBondContact O-CB 3.28Å
61C91Very high85.9Confident6 Ų638.2 Ų38.24%0.04123%0.227CC..Hα-helixtrans-77.2-42.9-179.9-65.20000112.2I57 I58 H59 P70 A79 I80I57-C61 PolarHBondContact O-N 3.43Å; I57-C61 VanDerWaalsContact O-N 3.16Å; I57-C61 PolarHBondContact O-SG 3.11Å; I58-C61 PolarHBondContact O-N 3.41Å; H59-C61 VanDerWaalsContact C-N 3.26Å; H59-C61 PolarHBondContact O-N 2.9Å; C61-P70 VanDerWaalsContact O-CG 3.25Å; C61-P70 WeakPolarHBondContact O-CG 3.33Å; C61-A79 HydrophobicContact CB-CB 4.17Å; C61-I80 HydrophobicContact CB-CG1 3.65Å
62C89.5Confident85.3Confident0 Ų041.1 Ų41.10%024%0.243CC..Hα-helixtrans-79-30.5-178.6-59.60000114I58 H59 M76 F155I58-C62 PolarHBondContact O-N 2.83Å; I58-C62 PolarHBondContact O-SG 3.32Å; I58-C62 VanDerWaalsContact O-SG 3.36Å; H59-C62 PolarHBondContact O-N 3.38Å; C62-M76 HydrophobicContact CB-CG 4.35Å; C62-M76 HydrophobicContact CB-SD 3.9Å; C62-M76 VanDerWaalsContact SG-SD 3.69Å; C62-F155 HydrophobicContact CB-CD1 4.13Å; C62-F155 HydrophobicContact CB-CE1 3.43Å; C62-F155 VanDerWaalsContact CB-CE1 3.43Å; C62-F155 HydrophobicContact CB-CE2 4.26Å; C62-F155 HydrophobicContact CB-CZ 3.5Å; C62-F155 VanDerWaalsContact CB-CZ 3.5Å
63H81.3Confident85Confident76 Ų7643.7 Ų43.735%0.35226%0.255SS..SBendtrans-138.868.8177.746.9-82.4000112.1H59 F155H59-H63 AromaticContact CG-CE1 3.73Å; H59-H63 AromaticContact CG-NE2 3.79Å; H59-H63 AromaticContact ND1-CE1 3.08Å; H59-H63 PolarHBondContact ND1-CE1 3.1Å; H59-H63 AromaticContact ND1-NE2 3.11Å; H59-H63 PolarHBondContact ND1-NE2 3.39Å; H59-H63 VanDerWaalsContact ND1-NE2 3.11Å; H59-H63 PolarHBondContact O-CE1 2.94Å; H59-H63 VanDerWaalsContact O-CE1 3.24Å; H59-H63 PolarHBondContact O-N 3.28Å; H59-H63 VanDerWaalsContact O-N 3.09Å; H59-H63 PolarHBondContact O-ND1 3.4Å; H59-H63 PolarHBondContact O-NE2 3.39Å; H63-F155 AromaticContact ND1-CE1 3.92Å
64P79.9Confident84.8Confident23 Ų2348.7 Ų48.715%0.14928%0.281CS..  trans-62.7135.8179.723.9-34.3000113.3P60 K67 P68P60-P64 WeakPolarHBondContact O-CA 3.39Å; P60-P64 WeakPolarHBondContact O-CB 3.28Å; P64-K67 HydrophobicContact CB-CD 4.4Å; P64-K67 HydrophobicContact CB-CG 3.5Å; P64-K67 VanDerWaalsContact CB-CG 3.5Å; P64-K67 HydrophobicContact CG-CD 4.36Å; P64-K67 HydrophobicContact CG-CG 3.57Å; P64-P68 VanDerWaalsContact CG-O 3.27Å; P64-P68 WeakPolarHBondContact CG-O 3.48Å
65E69.8Low84.6Confident115 Ų11553.1 Ų53.154%0.53730%0.302SS..SBendtrans-78.2-16.7174.2-64.3-158157.100114.2R261E65-R261 IonicContact OE1-CZ 3.88Å; E65-R261 IonicContact OE1-NH1 2.67Å; E65-R261 IonicContact OE1-NH2 2.97Å; E65-R261 PolarHBondContact OE1-NH2 3.17Å; E65-R261 IonicContact OE2-CZ 2.86Å; E65-R261 IonicContact OE2-NE 2.68Å; E65-R261 IonicContact OE2-NH2 3.25Å; E65-R261 PolarHBondContact OE2-NH2 2.91Å
66N69.6Low84.7Confident56 Ų5652.7 Ų52.730%0.29930%0.299SS..SBendtrans-118.2-3.5-167.7-52.4-74.2000114.6R259 Y269N66-R259 PolarHBondContact ND2-NH1 2.89Å; N66-R259 VanDerWaalsContact OD1-CD 3.24Å; N66-R259 WeakPolarHBondContact OD1-CD 3.18Å; N66-Y269 PolarHBondContact O-OH 3.44Å; N66-Y269 VanDerWaalsContact O-OH 3.12Å
67K71.2Confident85.1Confident88 Ų8851.9 Ų51.938%0.38329%0.29SS..SBendtrans-141.5164.6175.761.9169.1-177171.50108.5P64 L292P64-K67 HydrophobicContact CB-CD 4.4Å; P64-K67 HydrophobicContact CB-CG 3.5Å; P64-K67 VanDerWaalsContact CB-CG 3.5Å; P64-K67 HydrophobicContact CG-CD 4.36Å; P64-K67 HydrophobicContact CG-CG 3.57Å; K67-L292 HydrophobicContact CB-CD2 4.12Å
68P74.3Confident85.2Confident104 Ų10455.5 Ų55.568%0.67531%0.311SS*.PPolyproline II helixtrans-53.6151.7170.2-24.835.6000111.5P64P64-P68 VanDerWaalsContact CG-O 3.27Å; P64-P68 WeakPolarHBondContact CG-O 3.48Å
69A80Confident85.2Confident68 Ų6856 Ų5656%0.56232%0.315SS*.PPolyproline II helixtrans-66.7149.3170.600000110
70P84.7Confident85.5Confident19 Ų1952.7 Ų52.712%0.12330%0.3CS..PPolyproline II helixtrans-57.2145.9170.4-2537.3000111.6C61 N72 E75 M76C61-P70 VanDerWaalsContact O-CG 3.25Å; C61-P70 WeakPolarHBondContact O-CG 3.33Å; P70-N72 PolarHBondContact O-N 3.18Å; P70-E75 WeakPolarHBondContact CA-OE2 3.42Å; P70-E75 HydrophobicContact CB-CB 3.72Å; P70-M76 HydrophobicContact CB-CE 4.29Å; P70-M76 HydrophobicContact CB-CG 3.63Å; P70-M76 HydrophobicContact CG-CG 3.79Å
71A79.9Confident85.9Confident67 Ų6751.6 Ų51.655%0.55429%0.29SS*.SBendtrans-74.1-23.9-175.500000113.9E75A71-E75 PolarHBondContact N-OE2 3.02Å
72N87.6Confident86Confident62 Ų6256.9 Ų56.933%0.33231%0.314SS..SBendtrans-157.5174.4-175.154.256.7000110.8P70 D74 E75 M76P70-N72 PolarHBondContact O-N 3.18Å; N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 2.96Å; N72-D74 WeakPolarHBondContact OD1-CB 3.4Å; N72-D74 PolarHBondContact OD1-N 3.38Å; N72-D74 VanDerWaalsContact OD1-N 3.12Å; N72-E75 PolarHBondContact O-N 3.38Å; N72-E75 PolarHBondContact OD1-N 2.85Å; N72-M76 WeakPolarHBondContact O-CG 3.08Å; N72-M76 PolarHBondContact O-N 3.07Å
73E90.8Very high86.3Confident55 Ų5558.4 Ų58.426%0.25732%0.32SS..Hα-helixtrans-61.9-34.1178.5-70.2-168.9-173.700113.4M76 M77 F166 R169E73-M76 WeakPolarHBondContact O-CA 3.46Å; E73-M76 VanDerWaalsContact O-CB 3.3Å; E73-M76 WeakPolarHBondContact O-CB 3.47Å; E73-M76 PolarHBondContact O-N 2.97Å; E73-M76 VanDerWaalsContact O-N 3.08Å; E73-M77 WeakPolarHBondContact O-CG 3.26Å; E73-M77 PolarHBondContact O-N 3.43Å; E73-F166 HydrophobicContact CG-CD2 4.19Å; E73-F166 HydrophobicContact CG-CE2 4.42Å; E73-R169 IonicContact OE1-CZ 3.82Å; E73-R169 IonicContact OE1-NE 3.7Å; E73-R169 IonicContact OE1-NH2 3.47Å; E73-R169 PolarHBondContact OE1-NH2 3.12Å; E73-R169 IonicContact OE2-CZ 3.98Å; E73-R169 VanDerWaalsContact OE2-CZ 3.25Å; E73-R169 IonicContact OE2-NE 2.63Å; E73-R169 PolarHBondContact OE2-NE 3.36Å; E73-R169 IonicContact OE2-NH2 2.81Å; E73-R169 PolarHBondContact OE2-NH2 3.25Å
74D92Very high87Confident120 Ų12054.9 Ų54.964%0.64230%0.304SS*.Hα-helixtrans-64.8-43.9-178.7-66.4-37.9000111.7N72 M76 M77 V78N72-D74 VanDerWaalsContact C-N 3.32Å; N72-D74 PolarHBondContact O-N 2.96Å; N72-D74 WeakPolarHBondContact OD1-CB 3.4Å; N72-D74 PolarHBondContact OD1-N 3.38Å; N72-D74 VanDerWaalsContact OD1-N 3.12Å; D74-M76 VanDerWaalsContact C-N 3.25Å; D74-M76 PolarHBondContact O-N 3Å; D74-M77 PolarHBondContact O-N 2.91Å; D74-M77 VanDerWaalsContact O-N 3.14Å; D74-V78 WeakPolarHBondContact O-CG2 3.12Å; D74-V78 PolarHBondContact O-N 3.47Å
75E92.3Very high87.7Confident94 Ų9455.2 Ų55.244%0.43930%0.304SS..Hα-helixtrans-62.5-31.8172.2-72.1-174.9-171.700112.4P70 A71 N72 A79P70-E75 WeakPolarHBondContact CA-OE2 3.42Å; P70-E75 HydrophobicContact CB-CB 3.72Å; A71-E75 PolarHBondContact N-OE2 3.02Å; N72-E75 PolarHBondContact O-N 3.38Å; N72-E75 PolarHBondContact OD1-N 2.85Å; E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.4Å; E75-A79 PolarHBondContact O-N 2.91Å
76M93.3Very high88.8Confident7 Ų751.9 Ų51.93%0.03429%0.287CS..Hα-helixtrans-66.5-42.5172.5-60.5174.1-164.400111.4C62 P70 N72 E73 D74 A79 I80 F155C62-M76 HydrophobicContact CB-CG 4.35Å; C62-M76 HydrophobicContact CB-SD 3.9Å; C62-M76 VanDerWaalsContact SG-SD 3.69Å; P70-M76 HydrophobicContact CB-CE 4.29Å; P70-M76 HydrophobicContact CB-CG 3.63Å; P70-M76 HydrophobicContact CG-CG 3.79Å; N72-M76 WeakPolarHBondContact O-CG 3.08Å; N72-M76 PolarHBondContact O-N 3.07Å; E73-M76 WeakPolarHBondContact O-CA 3.46Å; E73-M76 VanDerWaalsContact O-CB 3.3Å; E73-M76 WeakPolarHBondContact O-CB 3.47Å; E73-M76 PolarHBondContact O-N 2.97Å; E73-M76 VanDerWaalsContact O-N 3.08Å; D74-M76 VanDerWaalsContact C-N 3.25Å; D74-M76 PolarHBondContact O-N 3Å; M76-A79 PolarHBondContact O-N 3.34Å; M76-I80 WeakPolarHBondContact O-CD1 3.13Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.21Å; M76-I80 PolarHBondContact O-N 3.42Å; M76-F155 HydrophobicContact CE-CB 4.19Å; M76-F155 HydrophobicContact CE-CD2 3.49Å; M76-F155 VanDerWaalsContact CE-CD2 3.49Å; M76-F155 HydrophobicContact CE-CE2 4.01Å; M76-F155 HydrophobicContact CE-CG 3.88Å; M76-F155 HydrophobicContact SD-CD2 3.67Å; M76-F155 HydrophobicContact SD-CE2 3.51Å; M76-F155 VanDerWaalsContact SD-CE2 3.51Å; M76-F155 HydrophobicContact SD-CG 4.4Å; M76-F155 HydrophobicContact SD-CZ 4.16Å
77M95.2Very high90.1Very high8 Ų849.2 Ų49.24%0.03927%0.273CS..Hα-helixtrans-63.8-44.6177-59.2-53.9170.600111.3E73 D74 I80 F81 F166 L170 C173E73-M77 WeakPolarHBondContact O-CG 3.26Å; E73-M77 PolarHBondContact O-N 3.43Å; D74-M77 PolarHBondContact O-N 2.91Å; D74-M77 VanDerWaalsContact O-N 3.14Å; M77-I80 WeakPolarHBondContact O-CB 3.42Å; M77-I80 PolarHBondContact O-N 3.06Å; M77-F81 HydrophobicContact CB-CZ 4.36Å; M77-F81 WeakPolarHBondContact O-CD1 3.18Å; M77-F81 VanDerWaalsContact O-CG 3.23Å; M77-F81 WeakPolarHBondContact O-CG 3.48Å; M77-F81 PolarHBondContact O-N 3.12Å; M77-F166 HydrophobicContact CE-CD2 4.42Å; M77-F166 HydrophobicContact CE-CE2 3.99Å; M77-L170 HydrophobicContact CE-CB 4.03Å; M77-L170 HydrophobicContact CE-CD1 4.35Å; M77-L170 HydrophobicContact SD-CB 4.29Å; M77-L170 HydrophobicContact SD-CD1 3.54Å; M77-L170 VanDerWaalsContact SD-CD1 3.54Å; M77-C173 HydrophobicContact CG-CB 4.19Å; M77-C173 HydrophobicContact SD-CB 4.03Å
78V95Very high91.2Very high76 Ų7645.1 Ų45.146%0.46126%0.255SS..Hα-helixtrans-59.7-47.8175.3174.10000110.9D74 I80 F81 E82D74-V78 WeakPolarHBondContact O-CG2 3.12Å; D74-V78 PolarHBondContact O-N 3.47Å; V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3.15Å; V78-F81 PolarHBondContact O-N 2.75Å; V78-F81 VanDerWaalsContact O-N 3.12Å; V78-E82 HydrophobicContact CG1-CG 4.41Å; V78-E82 WeakPolarHBondContact O-CG 3.26Å; V78-E82 PolarHBondContact O-N 2.66Å
79A93.8Very high92.2Very high10 Ų1042.6 Ų42.68%0.08324%0.236CC..Hα-helixtrans-60.8-35.7177.200000112.9C61 E75 M76 Y83C61-A79 HydrophobicContact CB-CB 4.17Å; E75-A79 VanDerWaalsContact O-CB 3.31Å; E75-A79 WeakPolarHBondContact O-CB 3.4Å; E75-A79 PolarHBondContact O-N 2.91Å; M76-A79 PolarHBondContact O-N 3.34Å; A79-Y83 WeakPolarHBondContact O-CB 3.12Å; A79-Y83 PolarHBondContact O-N 3.23Å; A79-Y83 VanDerWaalsContact O-N 3.13Å
80I96.2Very high92.9Very high0 Ų039.6 Ų39.60%021%0.21CC..Hα-helixtrans-65.7-46.2173.4-71.8164.7000110.5M54 I58 C61 M76 M77 V78 Y83 I84 L170 L174M54-I80 HydrophobicContact CE-CG2 4.37Å; I58-I80 HydrophobicContact CB-CD1 4.48Å; I58-I80 HydrophobicContact CG1-CD1 4.15Å; I58-I80 HydrophobicContact CG2-CD1 4.37Å; C61-I80 HydrophobicContact CB-CG1 3.65Å; M76-I80 WeakPolarHBondContact O-CD1 3.13Å; M76-I80 VanDerWaalsContact O-CG1 3.24Å; M76-I80 WeakPolarHBondContact O-CG1 3.21Å; M76-I80 PolarHBondContact O-N 3.42Å; M77-I80 WeakPolarHBondContact O-CB 3.42Å; M77-I80 PolarHBondContact O-N 3.06Å; V78-I80 VanDerWaalsContact C-N 3.28Å; V78-I80 PolarHBondContact O-N 3.15Å; I80-Y83 PolarHBondContact O-N 2.97Å; I80-I84 HydrophobicContact CG2-CD1 3.73Å; I80-I84 HydrophobicContact CG2-CG1 4.45Å; I80-I84 WeakPolarHBondContact O-CD1 3.43Å; I80-I84 VanDerWaalsContact O-CG1 3.24Å; I80-I84 WeakPolarHBondContact O-CG1 3.48Å; I80-I84 PolarHBondContact O-N 2.75Å; I80-L170 HydrophobicContact CD1-CD1 3.89Å; I80-L174 HydrophobicContact CG2-CD2 4.36Å
81F97Very high93.5Very high29 Ų2938.7 Ų38.713%0.12720%0.204CC..Hα-helixtrans-61.5-46.9178.8-61.4-15.2000112.2M77 V78 Y83 I84 D85 C173 L174 Y177M77-F81 HydrophobicContact CB-CZ 4.36Å; M77-F81 WeakPolarHBondContact O-CD1 3.18Å; M77-F81 VanDerWaalsContact O-CG 3.23Å; M77-F81 WeakPolarHBondContact O-CG 3.48Å; M77-F81 PolarHBondContact O-N 3.12Å; V78-F81 PolarHBondContact O-N 2.75Å; V78-F81 VanDerWaalsContact O-N 3.12Å; F81-Y83 VanDerWaalsContact C-N 3.27Å; F81-Y83 PolarHBondContact O-N 2.71Å; F81-I84 PolarHBondContact O-N 3.02Å; F81-D85 PolarHBondContact O-N 3.12Å; F81-C173 HydrophobicContact CE1-CB 4.42Å; F81-C173 HydrophobicContact CZ-CB 3.95Å; F81-C173 WeakPolarHBondContact CZ-O 3.5Å; F81-L174 HydrophobicContact CD1-CD2 4.43Å; F81-L174 HydrophobicContact CE1-CD2 4.13Å; F81-Y177 HydrophobicContact CB-CD2 3.68Å; F81-Y177 HydrophobicContact CB-CE2 3.83Å; F81-Y177 HydrophobicContact CD1-CD1 4.39Å; F81-Y177 AromaticContact CD1-CD2 3.66Å; F81-Y177 HydrophobicContact CD1-CD2 3.66Å; F81-Y177 HydrophobicContact CD1-CE2 4.39Å; F81-Y177 AromaticContact CD1-CG 3.68Å; F81-Y177 HydrophobicContact CD1-CG 3.68Å; F81-Y177 HydrophobicContact CD2-CD2 4.06Å; F81-Y177 VanDerWaalsContact CE1-CB 3.49Å; F81-Y177 HydrophobicContact CE1-CD2 4.3Å; F81-Y177 AromaticContact CE1-CG 3.95Å; F81-Y177 HydrophobicContact CE1-CG 3.95Å; F81-Y177 AromaticContact CG-CD2 3.52Å; F81-Y177 HydrophobicContact CG-CD2 3.52Å; F81-Y177 HydrophobicContact CG-CE2 4.18Å; F81-Y177 HydrophobicContact CG-CG 4.03Å; F81-Y177 HydrophobicContact CZ-CG 4.5Å
82E93.6Very high94.3Very high118 Ų11835.6 Ų35.655%0.55118%0.178SC*.Hα-helixtrans-57.9-39.7175.1-71.4179.6166.900112V78 R86V78-E82 HydrophobicContact CG1-CG 4.41Å; V78-E82 WeakPolarHBondContact O-CG 3.26Å; V78-E82 PolarHBondContact O-N 2.66Å; E82-R86 VanDerWaalsContact O-CB 3.29Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.69Å
83Y94.4Very high94.8Very high32 Ų3232.7 Ų32.713%0.12516%0.163CC..Hα-helixtrans-68.5-39.9178.8-159.9-76.1000111.9I57 A79 I80 F81 L87 E253 F297I57-Y83 HydrophobicContact CB-CD1 4.28Å; I57-Y83 HydrophobicContact CD1-CD1 4.17Å; I57-Y83 HydrophobicContact CD1-CE1 4.45Å; I57-Y83 HydrophobicContact CG1-CD1 3.9Å; I57-Y83 HydrophobicContact CG1-CE1 3.89Å; I57-Y83 HydrophobicContact CG2-CD1 3.58Å; I57-Y83 HydrophobicContact CG2-CE1 4.25Å; I57-Y83 HydrophobicContact CG2-CG 3.86Å; A79-Y83 WeakPolarHBondContact O-CB 3.12Å; A79-Y83 PolarHBondContact O-N 3.23Å; A79-Y83 VanDerWaalsContact O-N 3.13Å; I80-Y83 PolarHBondContact O-N 2.97Å; F81-Y83 VanDerWaalsContact C-N 3.27Å; F81-Y83 PolarHBondContact O-N 2.71Å; Y83-L87 HydrophobicContact CD1-CD1 3.83Å; Y83-L87 HydrophobicContact CD1-CG 4.1Å; Y83-L87 HydrophobicContact CE1-CD1 3.74Å; Y83-L87 HydrophobicContact CE1-CG 4.02Å; Y83-L87 WeakPolarHBondContact O-CG 3.14Å; Y83-L87 PolarHBondContact O-N 2.87Å; Y83-E253 WeakPolarHBondContact OH-CG 3.18Å; Y83-E253 PolarHBondContact OH-OE1 3.39Å; Y83-F297 HydrophobicContact CE1-CE1 4.42Å; Y83-F297 HydrophobicContact CE1-CZ 4.13Å; Y83-F297 HydrophobicContact CE2-CZ 4.45Å; Y83-F297 AromaticContact CZ-CZ 3.83Å
84I96.4Very high95Very high1 Ų133.7 Ų33.71%0.00516%0.164CC..Hα-helixtrans-66-45.2175.5-59.1154.5000110.4L52 M54 I57 I80 F81 R86 L87 F88 M99 L174 Y177L52-I84 HydrophobicContact CD1-CG1 4.41Å; L52-I84 HydrophobicContact CD1-CG2 3.93Å; M54-I84 HydrophobicContact CE-CD1 3.99Å; M54-I84 HydrophobicContact CE-CG1 4.43Å; I57-I84 HydrophobicContact CD1-CG1 4.48Å; I80-I84 HydrophobicContact CG2-CD1 3.73Å; I80-I84 HydrophobicContact CG2-CG1 4.45Å; I80-I84 WeakPolarHBondContact O-CD1 3.43Å; I80-I84 VanDerWaalsContact O-CG1 3.24Å; I80-I84 WeakPolarHBondContact O-CG1 3.48Å; I80-I84 PolarHBondContact O-N 2.75Å; F81-I84 PolarHBondContact O-N 3.02Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.33Å; I84-L87 PolarHBondContact O-N 2.84Å; I84-F88 WeakPolarHBondContact O-CB 3.46Å; I84-F88 PolarHBondContact O-N 3.06Å; I84-M99 HydrophobicContact CD1-CE 3.73Å; I84-M99 HydrophobicContact CG1-CE 4.35Å; I84-M99 HydrophobicContact CG2-CE 4.3Å; I84-L174 HydrophobicContact CD1-CD2 3.82Å; I84-Y177 HydrophobicContact CB-CE1 4.23Å; I84-Y177 HydrophobicContact CD1-CD1 4.42Å; I84-Y177 HydrophobicContact CD1-CE1 4Å; I84-Y177 HydrophobicContact CG2-CE1 3.8Å; I84-Y177 WeakPolarHBondContact CG2-OH 3.07Å
85D95.1Very high95.2Very high30 Ų3034.1 Ų34.116%0.1616%0.157CC..Hα-helixtrans-60-44.7176.4-73.4-22000111.3F81 L87 F88 N89 Y177 R181F81-D85 PolarHBondContact O-N 3.12Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 2.75Å; D85-F88 PolarHBondContact O-N 3.25Å; D85-N89 WeakPolarHBondContact O-CB 3.14Å; D85-N89 PolarHBondContact O-N 3.5Å; D85-N89 PolarHBondContact O-ND2 3.03Å; D85-N89 PolarHBondContact O-OD1 3.46Å; D85-Y177 WeakPolarHBondContact OD1-CE2 3.43Å; D85-Y177 PolarHBondContact OD1-OH 2.78Å; D85-R181 IonicContact OD1-CZ 3.75Å; D85-R181 IonicContact OD1-NE 2.72Å; D85-R181 PolarHBondContact OD1-NE 3.13Å; D85-R181 IonicContact OD1-NH2 3.51Å; D85-R181 IonicContact OD2-CZ 2.96Å; D85-R181 VanDerWaalsContact OD2-CZ 3.32Å; D85-R181 IonicContact OD2-NE 2.73Å; D85-R181 PolarHBondContact OD2-NE 3.48Å; D85-R181 VanDerWaalsContact OD2-NE 3.13Å; D85-R181 IonicContact OD2-NH2 3.25Å; D85-R181 PolarHBondContact OD2-NH2 2.75Å
86R93.6Very high95.4Very high46 Ų4630.3 Ų30.317%0.17414%0.14CC..Hα-helixtrans-59.3-44.3176.6-173.1177.2-178.4-138.5-7.8111.9E23 E82 I84 N89 I90 T295 F297E23-R86 IonicContact OE1-CZ 2.68Å; E23-R86 IonicContact OE1-NE 3.6Å; E23-R86 PolarHBondContact OE1-NE 3.41Å; E23-R86 IonicContact OE1-NH2 3.56Å; E23-R86 PolarHBondContact OE1-NH2 3.47Å; E23-R86 IonicContact OE2-CZ 3.47Å; E23-R86 IonicContact OE2-NE 3.09Å; E23-R86 IonicContact OE2-NH2 3.22Å; E23-R86 PolarHBondContact OE2-NH2 3.38Å; E82-R86 VanDerWaalsContact O-CB 3.29Å; E82-R86 WeakPolarHBondContact O-CB 3.46Å; E82-R86 PolarHBondContact O-N 2.69Å; I84-R86 VanDerWaalsContact C-N 3.35Å; I84-R86 PolarHBondContact O-N 3.33Å; R86-N89 PolarHBondContact O-N 3.11Å; R86-I90 WeakPolarHBondContact O-CD1 3.36Å; R86-I90 WeakPolarHBondContact O-CG1 3.41Å; R86-I90 PolarHBondContact O-N 2.97Å; R86-T295 PolarHBondContact NH1-O 3.43Å; R86-T295 PolarHBondContact NH1-OG1 2.71Å; R86-T295 PolarHBondContact NH2-O 3.38Å; R86-F297 HydrophobicContact CG-CE2 4.43Å
87L95.2Very high95.7Very high0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-64-44.8173.6-76.7177.5000112.2F50 L52 I57 Y83 I84 D85 N89 I90 I91 C230 I251 F297F50-L87 HydrophobicContact CE1-CB 3.93Å; F50-L87 HydrophobicContact CZ-CB 3.91Å; F50-L87 HydrophobicContact CZ-CD1 4.28Å; F50-L87 HydrophobicContact CZ-CD2 4.49Å; F50-L87 HydrophobicContact CZ-CG 4.48Å; L52-L87 HydrophobicContact CD2-CD1 3.78Å; I57-L87 HydrophobicContact CD1-CD1 3.74Å; I57-L87 HydrophobicContact CG1-CD1 4.41Å; Y83-L87 HydrophobicContact CD1-CD1 3.83Å; Y83-L87 HydrophobicContact CD1-CG 4.1Å; Y83-L87 HydrophobicContact CE1-CD1 3.74Å; Y83-L87 HydrophobicContact CE1-CG 4.02Å; Y83-L87 WeakPolarHBondContact O-CG 3.14Å; Y83-L87 PolarHBondContact O-N 2.87Å; I84-L87 PolarHBondContact O-N 2.84Å; D85-L87 VanDerWaalsContact C-N 3.35Å; D85-L87 PolarHBondContact O-N 2.75Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.09Å; L87-I90 PolarHBondContact O-N 2.93Å; L87-I91 WeakPolarHBondContact O-CG1 3.45Å; L87-I91 PolarHBondContact O-N 2.86Å; L87-C230 HydrophobicContact CD1-CB 4.31Å; L87-C230 VanDerWaalsContact CD1-SG 3.6Å; L87-I251 HydrophobicContact CD2-CD1 3.98Å; L87-F297 HydrophobicContact CD2-CD1 4.11Å; L87-F297 HydrophobicContact CD2-CE1 3.59Å; L87-F297 HydrophobicContact CD2-CE2 4.38Å; L87-F297 HydrophobicContact CD2-CZ 3.74Å; L87-F297 HydrophobicContact CG-CZ 4.4Å
88F95.8Very high95.8Very high2 Ų229.7 Ų29.71%0.00914%0.136CC..Hα-helixtrans-58.7-41.1178-170.3-79.9000111.2C37 I84 D85 I90 I91 R92 P93 L97 A187 W188 V191C37-F88 HydrophobicContact CB-CE1 4.44Å; I84-F88 WeakPolarHBondContact O-CB 3.46Å; I84-F88 PolarHBondContact O-N 3.06Å; D85-F88 PolarHBondContact O-N 3.25Å; F88-I90 VanDerWaalsContact C-N 3.29Å; F88-I90 PolarHBondContact O-N 3.47Å; F88-I91 PolarHBondContact O-N 3.36Å; F88-R92 WeakPolarHBondContact O-CA 3.16Å; F88-R92 PolarHBondContact O-N 3.05Å; F88-P93 HydrophobicContact CD2-CG 3.88Å; F88-P93 HydrophobicContact CE2-CG 3.48Å; F88-P93 VanDerWaalsContact CE2-CG 3.48Å; F88-P93 HydrophobicContact CZ-CG 4.06Å; F88-L97 HydrophobicContact CD2-CD2 4.32Å; F88-A187 HydrophobicContact CE1-CB 4.02Å; F88-W188 AromaticContact CD1-NE1 3.52Å; F88-W188 AromaticContact CD2-CE2 3.65Å; F88-W188 AromaticContact CD2-CZ2 3.69Å; F88-W188 HydrophobicContact CD2-CZ2 3.69Å; F88-W188 AromaticContact CD2-NE1 3.57Å; F88-W188 AromaticContact CE1-CD1 3.54Å; F88-W188 AromaticContact CE1-NE1 3.38Å; F88-W188 AromaticContact CE2-CD1 3.82Å; F88-W188 HydrophobicContact CE2-CD2 4.05Å; F88-W188 AromaticContact CE2-CE2 3.56Å; F88-W188 HydrophobicContact CE2-CG 4.2Å; F88-W188 HydrophobicContact CE2-CZ2 4.02Å; F88-W188 AromaticContact CE2-NE1 3.41Å; F88-W188 HydrophobicContact CG-CZ2 4.17Å; F88-W188 AromaticContact CG-NE1 3.63Å; F88-W188 AromaticContact CZ-CD1 3.36Å; F88-W188 HydrophobicContact CZ-CD2 4.31Å; F88-W188 AromaticContact CZ-CE2 3.95Å; F88-W188 AromaticContact CZ-CG 3.98Å; F88-W188 HydrophobicContact CZ-CG 3.98Å; F88-W188 AromaticContact CZ-NE1 3.33Å; F88-W188 VanDerWaalsContact CZ-NE1 3.33Å; F88-V191 HydrophobicContact CZ-CG2 4.46Å
89N94.2Very high96Very high51 Ų5126.1 Ų26.127%0.27311%0.114SC..Hα-helixtrans-65.2-30.4179.8-66.1-14.9000113.5C37 D85 R86 L87 R92C37-N89 PolarHBondContact SG-OD1 2.67Å; D85-N89 WeakPolarHBondContact O-CB 3.14Å; D85-N89 PolarHBondContact O-N 3.5Å; D85-N89 PolarHBondContact O-ND2 3.03Å; D85-N89 PolarHBondContact O-OD1 3.46Å; R86-N89 PolarHBondContact O-N 3.11Å; L87-N89 VanDerWaalsContact C-N 3.28Å; L87-N89 PolarHBondContact O-N 3.09Å; N89-R92 PolarHBondContact O-NE 2.85Å; N89-R92 VanDerWaalsContact O-NE 3.17Å
90I95Very high96.2Very high4 Ų425.6 Ų25.62%0.02111%0.111CC..Hα-helixtrans-79.3-42.7176.5-63.2166.2000111.2C21 E23 N41 R86 L87 F88 I251 F297C21-I90 HydrophobicContact CB-CG2 3.97Å; E23-I90 HydrophobicContact CB-CD1 4.5Å; E23-I90 HydrophobicContact CB-CG1 4.38Å; E23-I90 HydrophobicContact CG-CD1 4.31Å; E23-I90 HydrophobicContact CG-CG1 4.22Å; N41-I90 PolarHBondContact ND2-O 3.28Å; R86-I90 WeakPolarHBondContact O-CD1 3.36Å; R86-I90 WeakPolarHBondContact O-CG1 3.41Å; R86-I90 PolarHBondContact O-N 2.97Å; L87-I90 PolarHBondContact O-N 2.93Å; F88-I90 VanDerWaalsContact C-N 3.29Å; F88-I90 PolarHBondContact O-N 3.47Å; I90-I251 HydrophobicContact CG2-CD1 4.01Å; I90-F297 HydrophobicContact CD1-CD2 3.48Å; I90-F297 VanDerWaalsContact CD1-CD2 3.48Å; I90-F297 HydrophobicContact CD1-CE2 3.94Å; I90-F297 HydrophobicContact CD1-CG 4.19Å
91I96.9Very high96.2Very high0 Ų025.6 Ų25.60%011%0.111CC..Hα-helixtrans-86.3-42.1-174.2-57.3-51.6000113.1N41 F47 F50 L87 F88 V228 I251 F299N41-I91 PolarHBondContact ND2-O 2.87Å; F47-I91 HydrophobicContact CB-CG2 3.97Å; F47-I91 HydrophobicContact CD2-CG2 4.02Å; F47-I91 WeakPolarHBondContact CD2-O 3.38Å; F47-I91 HydrophobicContact CG-CG2 4.21Å; F50-I91 HydrophobicContact CB-CG2 3.93Å; F50-I91 HydrophobicContact CD1-CB 3.98Å; F50-I91 HydrophobicContact CD1-CG1 4.08Å; F50-I91 HydrophobicContact CD1-CG2 4.02Å; F50-I91 HydrophobicContact CD2-CB 4.47Å; F50-I91 HydrophobicContact CD2-CG1 4.07Å; F50-I91 HydrophobicContact CD2-CG2 4.05Å; F50-I91 HydrophobicContact CE1-CB 4.06Å; F50-I91 HydrophobicContact CE1-CG1 3.74Å; F50-I91 HydrophobicContact CE2-CG1 3.74Å; F50-I91 HydrophobicContact CG-CB 4.2Å; F50-I91 HydrophobicContact CG-CG1 4.25Å; F50-I91 HydrophobicContact CG-CG2 3.76Å; F50-I91 HydrophobicContact CZ-CB 4.35Å; F50-I91 HydrophobicContact CZ-CG1 3.55Å; L87-I91 WeakPolarHBondContact O-CG1 3.45Å; L87-I91 PolarHBondContact O-N 2.86Å; F88-I91 PolarHBondContact O-N 3.36Å; I91-V228 HydrophobicContact CD1-CG1 3.88Å; I91-V228 HydrophobicContact CG1-CG1 4.42Å; I91-V228 HydrophobicContact CG2-CB 4.28Å; I91-V228 HydrophobicContact CG2-CG2 4.12Å; I91-I251 HydrophobicContact CD1-CB 4.43Å; I91-I251 HydrophobicContact CD1-CD1 3.69Å; I91-I251 HydrophobicContact CD1-CG2 4.33Å; I91-I251 HydrophobicContact CG1-CD1 4.38Å; I91-F299 HydrophobicContact CD1-CE1 3.5Å; I91-F299 HydrophobicContact CD1-CZ 3.72Å
92R96.9Very high96.2Very high2 Ų225.5 Ų25.51%0.00811%0.111CC..  trans49.960.1-175.5-51.1-178.1-175.4175.46.7112.5E24 V35 C37 E39 P40 F88 N89 R94E24-R92 IonicContact OE2-CZ 3.32Å; E24-R92 IonicContact OE2-NH1 3.13Å; E24-R92 IonicContact OE2-NH2 2.85Å; E24-R92 PolarHBondContact OE2-NH2 3.48Å; V35-R92 VanDerWaalsContact CG1-NH2 3.31Å; C37-R92 HydrophobicContact CB-CG 4.08Å; E39-R92 PolarHBondContact O-NH1 3.25Å; P40-R92 PolarHBondContact O-NH1 3.4Å; F88-R92 WeakPolarHBondContact O-CA 3.16Å; F88-R92 PolarHBondContact O-N 3.05Å; N89-R92 PolarHBondContact O-NE 2.85Å; N89-R92 VanDerWaalsContact O-NE 3.17Å; R92-R94 WeakPolarHBondContact O-CD 3.4Å; R92-R94 PolarHBondContact O-N 3.45Å; R92-R94 PolarHBondContact O-NE 3.31Å
93P97.4Very high96.4Very high2 Ų219.9 Ų19.91%0.0139%0.085CC..EExtended strand (participates in β ladder)trans-56.2136.2178.324.8-33.2000110.8F47 F50 F88 L96 V191F47-P93 CarbonylContact O-C 3.57Å; F47-P93 WeakPolarHBondContact O-CA 3.32Å; F50-P93 HydrophobicContact CB-CB 3.79Å; F50-P93 HydrophobicContact CB-CG 4.04Å; F50-P93 HydrophobicContact CD1-CG 4.41Å; F88-P93 HydrophobicContact CD2-CG 3.88Å; F88-P93 HydrophobicContact CE2-CG 3.48Å; F88-P93 VanDerWaalsContact CE2-CG 3.48Å; F88-P93 HydrophobicContact CZ-CG 4.06Å; P93-L96 WeakPolarHBondContact CB-O 3.26Å; P93-V191 WeakPolarHBondContact O-CG2 3.41Å
94R96.5Very high96.5Very high76 Ų7618.6 Ų18.629%0.2878%0.08SC..EExtended strand (participates in β ladder)trans-99.5-7.8-176.8-55.9-52.1-176.4-1750.5114.2C37 E39 E46 F47 D48 R92C37-R94 PolarHBondContact O-NH1 3.18Å; E39-R94 PolarHBondContact O-NH2 2.91Å; E46-R94 HydrophobicContact CB-CG 4.47Å; E46-R94 IonicContact OE1-NH2 2.69Å; E46-R94 IonicContact OE2-CZ 3.74Å; E46-R94 IonicContact OE2-NE 3.74Å; E46-R94 PolarHBondContact OE2-NE 2.76Å; E46-R94 IonicContact OE2-NH2 3.78Å; E46-R94 PolarHBondContact OE2-NH2 3.49Å; F47-R94 PolarHBondContact O-N 2.87Å; D48-R94 PolarHBondContact O-N 3.12Å; R92-R94 WeakPolarHBondContact O-CD 3.4Å; R92-R94 PolarHBondContact O-N 3.45Å; R92-R94 PolarHBondContact O-NE 3.31Å
95R95.7Very high96.5Very high129 Ų12918.6 Ų18.649%0.4878%0.08SC..EExtended strand (participates in β ladder)trans-137.5-48.7-176.4-57.2-175.466.5142-0.2113.9D48 A192D48-R95 HydrophobicContact CB-CB 4.46Å; D48-R95 HydrophobicContact CB-CG 4.19Å; D48-R95 WeakPolarHBondContact O-CA 3.44Å; D48-R95 WeakPolarHBondContact O-CB 3.28Å; D48-R95 PolarHBondContact O-N 2.82Å; D48-R95 WeakPolarHBondContact OD1-CD 3.41Å; R95-A192 PolarHBondContact O-N 3.25Å
96L97.1Very high96.5Very high14 Ų1417.1 Ų17.17%0.0737%0.073CC..EExtended strand (participates in β ladder)trans-138.4135.5-171.5-178.370.7000112.6D48 N49 F50 Y51 P93 A192 I194 F211D48-L96 PolarHBondContact O-N 3.03Å; N49-L96 WeakPolarHBondContact CA-O 3.13Å; N49-L96 HydrophobicContact CB-CB 4.16Å; N49-L96 HydrophobicContact CB-CD2 4.32Å; N49-L96 VanDerWaalsContact OD1-CB 3.31Å; N49-L96 WeakPolarHBondContact OD1-CB 3.45Å; F50-L96 PolarHBondContact N-O 3.41Å; Y51-L96 HydrophobicContact CE1-CD2 4.05Å; P93-L96 WeakPolarHBondContact CB-O 3.26Å; L96-A192 CarbonylContact C-O 3.55Å; L96-A192 WeakPolarHBondContact CA-O 3.42Å; L96-A192 HydrophobicContact CD1-CB 4.3Å; L96-I194 HydrophobicContact CD1-CD1 3.86Å; L96-I194 HydrophobicContact CD1-CG1 4Å; L96-F211 HydrophobicContact CD2-CE1 3.45Å; L96-F211 VanDerWaalsContact CD2-CE1 3.45Å; L96-F211 HydrophobicContact CD2-CZ 3.61Å
97L98.1Very high96.5Very high0 Ų015.6 Ų15.60%07%0.067CC..EExtended strand (participates in β ladder)trans-114.9115.5158.8176.763.6000108.8F50 L52 F88 M99 W188 V191 A192 V193 I194F50-L97 HydrophobicContact CB-CD1 4.29Å; F50-L97 HydrophobicContact CD1-CD1 3.71Å; F50-L97 HydrophobicContact CE1-CD1 4.44Å; F50-L97 HydrophobicContact CG-CD1 4.22Å; F50-L97 CarbonylContact O-C 3.47Å; F50-L97 WeakPolarHBondContact O-CA 3.1Å; L52-L97 HydrophobicContact CD1-CD1 4.06Å; L52-L97 HydrophobicContact CG-CD1 4.12Å; F88-L97 HydrophobicContact CD2-CD2 4.32Å; L97-M99 HydrophobicContact CD1-CG 4.46Å; L97-M99 HydrophobicContact CD2-CG 4.36Å; L97-M99 HydrophobicContact CD2-SD 4.12Å; L97-M99 HydrophobicContact CG-CG 4.03Å; L97-M99 HydrophobicContact CG-SD 4.43Å; L97-W188 HydrophobicContact CD2-CH2 3.48Å; L97-W188 VanDerWaalsContact CD2-CH2 3.48Å; L97-W188 HydrophobicContact CD2-CZ2 4.06Å; L97-W188 HydrophobicContact CD2-CZ3 3.87Å; L97-V191 HydrophobicContact CB-CG1 4.08Å; L97-A192 PolarHBondContact N-O 3.01Å; L97-V193 HydrophobicContact CB-CG1 4.28Å; L97-V193 HydrophobicContact CB-CG2 4.32Å; L97-V193 HydrophobicContact CD2-CG1 4.11Å; L97-V193 HydrophobicContact CG-CG1 4.26Å; L97-V193 CarbonylContact O-C 3.59Å; L97-V193 VanDerWaalsContact O-CA 3.28Å; L97-V193 WeakPolarHBondContact O-CA 3.4Å; L97-I194 PolarHBondContact O-N 3.35Å
98Y98.3Very high96.3Very high2 Ų216.9 Ų16.91%0.0088%0.078CC..EExtended strand (participates in β ladder)trans-110.4117.7177.3-169.3-76000109.6F50 Y51 L52 A100 I194 S196 I208 F211 D630F50-Y98 PolarHBondContact O-N 3.49Å; Y51-Y98 CarbonylContact C-O 3.59Å; Y51-Y98 WeakPolarHBondContact CA-O 3.24Å; Y51-Y98 HydrophobicContact CD1-CG 4.14Å; L52-Y98 PolarHBondContact N-O 2.96Å; Y98-A100 HydrophobicContact CD1-CB 4.06Å; Y98-A100 HydrophobicContact CE1-CB 3.8Å; Y98-I194 CarbonylContact C-O 3.5Å; Y98-I194 HydrophobicContact CD2-CB 3.7Å; Y98-I194 HydrophobicContact CD2-CD1 4.06Å; Y98-I194 HydrophobicContact CD2-CG1 4.43Å; Y98-I194 HydrophobicContact CD2-CG2 3.75Å; Y98-I194 HydrophobicContact CE2-CB 4.04Å; Y98-I194 HydrophobicContact CE2-CD1 4.33Å; Y98-I194 HydrophobicContact CE2-CG2 3.52Å; Y98-I194 HydrophobicContact CG-CB 4.4Å; Y98-S196 WeakPolarHBondContact OH-CB 3.35Å; Y98-I208 HydrophobicContact CD1-CG1 3.77Å; Y98-I208 HydrophobicContact CE1-CG1 3.97Å; Y98-F211 HydrophobicContact CD2-CD1 4.23Å; Y98-F211 AromaticContact CD2-CD2 3.96Å; Y98-F211 HydrophobicContact CD2-CD2 3.96Å; Y98-F211 HydrophobicContact CD2-CE1 4.44Å; Y98-F211 HydrophobicContact CD2-CE2 4.16Å; Y98-F211 AromaticContact CD2-CG 4Å; Y98-F211 HydrophobicContact CD2-CG 4Å; Y98-F211 HydrophobicContact CD2-CZ 4.41Å; Y98-F211 HydrophobicContact CE2-CB 4.04Å; Y98-F211 HydrophobicContact CE2-CD1 4.44Å; Y98-F211 AromaticContact CE2-CD2 3.55Å; Y98-F211 HydrophobicContact CE2-CD2 3.55Å; Y98-F211 HydrophobicContact CE2-CE2 4.1Å; Y98-F211 AromaticContact CE2-CG 3.75Å; Y98-F211 HydrophobicContact CE2-CG 3.75Å; Y98-D630 PolarHBondContact OH-OD2 2.97Å
99M98.3Very high96Very high0 Ų018.5 Ų18.50%08%0.084CC..EExtended strand (participates in β ladder)trans-107.5104.8-175.6-56.8179.768.900109.2L52 M54 I84 L97 L174 Y177 I178 V193 I194 L195 S196L52-M99 HydrophobicContact CD1-CE 4.43Å; L52-M99 HydrophobicContact CD1-CG 4.28Å; M54-M99 HydrophobicContact CE-CE 3.81Å; M54-M99 HydrophobicContact CG-CB 4.3Å; M54-M99 HydrophobicContact SD-CB 4.1Å; M54-M99 HydrophobicContact SD-CE 3.76Å; I84-M99 HydrophobicContact CD1-CE 3.73Å; I84-M99 HydrophobicContact CG1-CE 4.35Å; I84-M99 HydrophobicContact CG2-CE 4.3Å; L97-M99 HydrophobicContact CD1-CG 4.46Å; L97-M99 HydrophobicContact CD2-CG 4.36Å; L97-M99 HydrophobicContact CD2-SD 4.12Å; L97-M99 HydrophobicContact CG-CG 4.03Å; L97-M99 HydrophobicContact CG-SD 4.43Å; M99-L174 HydrophobicContact CE-CD2 3.85Å; M99-Y177 HydrophobicContact CE-CE1 4.5Å; M99-I178 HydrophobicContact SD-CD1 3.87Å; M99-I178 HydrophobicContact SD-CG1 4.03Å; M99-V193 HydrophobicContact SD-CG1 4.18Å; M99-I194 PolarHBondContact N-O 2.96Å; M99-L195 HydrophobicContact CB-CD1 3.97Å; M99-S196 PolarHBondContact O-N 3.02Å
100A97.9Very high96Very high0 Ų016.1 Ų16.10%07%0.072CC..EExtended strand (participates in β ladder)trans-106112.5-174.800000111L52 M54 Y98 G204 I208L52-A100 PolarHBondContact O-N 3.12Å; M54-A100 VanDerWaalsContact CB-O 3.29Å; M54-A100 WeakPolarHBondContact CB-O 2.99Å; M54-A100 WeakPolarHBondContact CG-O 3.3Å; M54-A100 PolarHBondContact N-O 3.27Å; Y98-A100 HydrophobicContact CD1-CB 4.06Å; Y98-A100 HydrophobicContact CE1-CB 3.8Å; A100-G204 WeakPolarHBondContact CB-O 3.47Å; A100-I208 HydrophobicContact CB-CD1 3.68Å; A100-I208 HydrophobicContact CB-CG1 3.68Å
101I97.8Very high95.8Very high0 Ų016.9 Ų16.90%08%0.076CC..  trans-92.5142.7169.5-51.3-177.8000108.2M54 I58 G103 M167 L170 L174 L195 S196 D197 A198 K207M54-I101 HydrophobicContact CB-CB 4.48Å; M54-I101 HydrophobicContact CB-CG1 3.87Å; M54-I101 HydrophobicContact CG-CG1 3.9Å; I58-I101 HydrophobicContact CD1-CG2 4.49Å; I101-G103 PolarHBondContact O-N 3.16Å; I101-M167 HydrophobicContact CG2-CE 3.18Å; I101-L170 HydrophobicContact CD1-CD2 4.47Å; I101-L174 HydrophobicContact CD1-CD1 3.66Å; I101-L195 HydrophobicContact CD1-CD1 4.39Å; I101-S196 PolarHBondContact N-O 2.96Å; I101-D197 HydrophobicContact CD1-CB 4.08Å; I101-A198 HydrophobicContact CG2-CB 4.03Å; I101-K207 WeakPolarHBondContact O-CE 3.47Å; I101-K207 PolarHBondContact O-NZ 2.87Å
102D96.8Very high95.4Very high26 Ų2620.8 Ų20.814%0.1399%0.094CC..  trans-56.9124.4171.4-83.7-13.8000110N55 P162 A198 E203 G204N55-D102 VanDerWaalsContact ND2-CB 3.28Å; N55-D102 WeakPolarHBondContact ND2-CB 3.37Å; N55-D102 PolarHBondContact ND2-OD2 2.83Å; N55-D102 PolarHBondContact OD1-N 3.43Å; D102-P162 WeakPolarHBondContact O-CG 3.44Å; D102-A198 WeakPolarHBondContact O-CA 3.35Å; D102-A198 WeakPolarHBondContact O-CB 3.48Å; D102-E203 WeakPolarHBondContact OD1-CA 3.32Å; D102-G204 PolarHBondContact OD1-N 2.81Å
103G97.3Very high95.1Very high0 Ų021.6 Ų21.60%010%0.098CC..  trans-95.1-164.2163.900000111.7I101 A105 P162 A198 V200 G202I101-G103 PolarHBondContact O-N 3.16Å; G103-A105 PolarHBondContact O-N 3.45Å; G103-P162 VanDerWaalsContact O-CG 3.28Å; G103-P162 WeakPolarHBondContact O-CG 3.28Å; G103-A198 WeakPolarHBondContact CA-O 3.39Å; G103-V200 VanDerWaalsContact CA-O 3.31Å; G103-V200 WeakPolarHBondContact CA-O 3.45Å; G103-G202 WeakPolarHBondContact CA-O 3.44Å; G103-G202 PolarHBondContact N-O 2.67Å
104V97.2Very high95Very high5 Ų521.8 Ų21.83%0.0310%0.099CC..SBendtrans-57.1123.6173.9172.90000109.9P162 G202 W508 P539 T540 P542V104-P162 HydrophobicContact CG2-CB 4.38Å; V104-G202 WeakPolarHBondContact O-CA 3.36Å; V104-G202 PolarHBondContact O-N 2.82Å; V104-W508 WeakPolarHBondContact O-CZ3 3.4Å; V104-P539 HydrophobicContact CG1-CB 4.17Å; V104-T540 WeakPolarHBondContact CG1-O 3.25Å; V104-T540 WeakPolarHBondContact CG2-O 3.3Å; V104-P542 HydrophobicContact CG2-CB 4.47Å; V104-P542 HydrophobicContact CG2-CG 4.06Å
105A95.6Very high94.7Very high1 Ų119.8 Ų19.81%0.00810%0.096CC..PPolyproline II helixtrans-91.1156.2-179.300000111.7G103 K109 M110 E203G103-A105 PolarHBondContact O-N 3.45Å; A105-K109 HydrophobicContact CB-CB 4.01Å; A105-K109 HydrophobicContact CB-CG 4.3Å; A105-M110 WeakPolarHBondContact O-CG 3.44Å; A105-E203 HydrophobicContact CB-CG 3.73Å
106P95.3Very high94.5Very high0 Ų019.7 Ų19.70%010%0.096CC..PPolyproline II helixtrans-60153.5172.5-21.933.4000112.5A108 K109 M110 W496 Y500 W508P106-A108 PolarHBondContact O-N 3.11Å; P106-A108 VanDerWaalsContact O-N 3.08Å; P106-K109 WeakPolarHBondContact O-CA 3.32Å; P106-K109 PolarHBondContact O-N 3.36Å; P106-M110 PolarHBondContact O-N 3.49Å; P106-W496 HydrophobicContact CB-CH2 3.85Å; P106-W496 HydrophobicContact CB-CZ2 3.55Å; P106-W496 HydrophobicContact CG-CH2 4.09Å; P106-W496 HydrophobicContact CG-CZ2 4Å; P106-Y500 HydrophobicContact CG-CE1 4.3Å; P106-Y500 HydrophobicContact CG-CE2 4.39Å; P106-W508 HydrophobicContact CB-CE3 4.21Å; P106-W508 HydrophobicContact CG-CE3 3.91Å; P106-W508 HydrophobicContact CG-CZ3 3.89Å
107R93.9Very high94.4Very high14 Ų1420.2 Ų20.25%0.05310%0.097CC..Hα-helixtrans-54.9-34.5-175.1-175.861-171.3-162.7-3.2113.9K109 M110 N111 W508 N509 F511 S548 V601R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.48Å; R107-M110 HydrophobicContact CB-SD 4.39Å; R107-M110 PolarHBondContact O-N 3.08Å; R107-N111 PolarHBondContact O-N 3.24Å; R107-W508 WeakPolarHBondContact CB-O 3.37Å; R107-W508 PolarHBondContact N-O 2.81Å; R107-N509 WeakPolarHBondContact CB-O 3.35Å; R107-F511 HydrophobicContact CG-CB 4.06Å; R107-F511 HydrophobicContact CG-CD1 3.83Å; R107-F511 HydrophobicContact CG-CG 4.18Å; R107-S548 PolarHBondContact NH1-OG 3.44Å; R107-V601 PolarHBondContact NH2-O 3.4Å
108A90.4Very high94.2Very high27 Ų2720.5 Ų20.522%0.22310%0.098CC..Hα-helixtrans-54.7-42.9171.700000113.2P106 W496 W510P106-A108 PolarHBondContact O-N 3.11Å; P106-A108 VanDerWaalsContact O-N 3.08Å; A108-W496 HydrophobicContact CB-CE3 4.3Å; A108-W496 HydrophobicContact CB-CH2 3.93Å; A108-W496 HydrophobicContact CB-CZ2 4.25Å; A108-W496 HydrophobicContact CB-CZ3 3.95Å; A108-W510 HydrophobicContact CB-CE3 4.02Å; A108-W510 HydrophobicContact CB-CZ3 3.9Å; A108-W510 PolarHBondContact N-O 2.92Å; A108-W510 VanDerWaalsContact N-O 3.14Å
109K90.5Very high93.8Very high35 Ų3522.2 Ų22.215%0.15210%0.104CC..Hα-helixtrans-80.7-35.1177.1-163.889.6172.3-1250112.2A105 P106 R107 N111 Q112 Q113 E203 E205A105-K109 HydrophobicContact CB-CB 4.01Å; A105-K109 HydrophobicContact CB-CG 4.3Å; P106-K109 WeakPolarHBondContact O-CA 3.32Å; P106-K109 PolarHBondContact O-N 3.36Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.48Å; K109-N111 PolarHBondContact O-N 2.74Å; K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 CarbonylContact O-C 3.51Å; K109-Q112 WeakPolarHBondContact O-CA 3.45Å; K109-Q112 WeakPolarHBondContact O-CB 3.4Å; K109-Q112 PolarHBondContact O-N 2.88Å; K109-Q113 HydrophobicContact CG-CG 4.36Å; K109-Q113 PolarHBondContact O-N 3.32Å; K109-E203 WeakPolarHBondContact CB-OE1 2.98Å; K109-E203 VanDerWaalsContact CD-OE1 3.26Å; K109-E203 WeakPolarHBondContact CD-OE1 3.4Å; K109-E203 WeakPolarHBondContact CD-OE2 3.43Å; K109-E203 WeakPolarHBondContact CE-OE2 3.5Å; K109-E203 VanDerWaalsContact CG-CD 3.46Å; K109-E203 VanDerWaalsContact CG-OE1 3.26Å; K109-E203 WeakPolarHBondContact CG-OE1 3.31Å; K109-E203 VanDerWaalsContact CG-OE2 3.25Å; K109-E203 WeakPolarHBondContact CG-OE2 3.41Å; K109-E203 IonicContact NZ-OE1 2.63Å; K109-E203 IonicContact NZ-OE2 2.86Å; K109-E203 PolarHBondContact NZ-OE2 3.26Å; K109-E205 IonicContact NZ-OE1 3.15Å; K109-E205 PolarHBondContact NZ-OE1 3.24Å
110M93.1Very high93.4Very high2 Ų223.9 Ų23.91%0.0112%0.118CC..Hα-helixtrans-51.7-41.5176.7-67.2171.263.600112.2A105 P106 R107 Q112 Q113 R114 Q545 V549A105-M110 WeakPolarHBondContact O-CG 3.44Å; P106-M110 PolarHBondContact O-N 3.49Å; R107-M110 HydrophobicContact CB-SD 4.39Å; R107-M110 PolarHBondContact O-N 3.08Å; M110-Q112 VanDerWaalsContact C-N 3.32Å; M110-Q112 PolarHBondContact O-N 3.01Å; M110-Q113 PolarHBondContact O-N 3.05Å; M110-R114 WeakPolarHBondContact O-CB 3.48Å; M110-R114 PolarHBondContact O-N 3.31Å; M110-Q545 HydrophobicContact CE-CB 4.25Å; M110-Q545 HydrophobicContact CE-CG 4.1Å; M110-Q545 HydrophobicContact CG-CG 4.49Å; M110-V549 HydrophobicContact CB-CG1 4.09Å; M110-V549 HydrophobicContact CE-CG1 4.47Å; M110-V549 HydrophobicContact CG-CG1 4.49Å
111N91Very high93Very high19 Ų1924.8 Ų24.810%0.10213%0.125CC..Hα-helixtrans-61.8-36.9175.4-73.2-25.3000113R107 K109 S115 F511R107-N111 PolarHBondContact O-N 3.24Å; K109-N111 PolarHBondContact O-N 2.74Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.01Å; N111-S115 VanDerWaalsContact O-N 3.12Å; N111-S115 PolarHBondContact O-OG 3.25Å; N111-F511 WeakPolarHBondContact ND2-CD2 3.29Å
112Q87.7Confident92.6Very high83 Ų8327.2 Ų27.239%0.38814%0.135SC..Hα-helixtrans-70.6-43.2174.1-170.7-169.58.400111.2K109 M110 S115 R116K109-Q112 VanDerWaalsContact CE-OE1 3.31Å; K109-Q112 CarbonylContact O-C 3.51Å; K109-Q112 WeakPolarHBondContact O-CA 3.45Å; K109-Q112 WeakPolarHBondContact O-CB 3.4Å; K109-Q112 PolarHBondContact O-N 2.88Å; M110-Q112 VanDerWaalsContact C-N 3.32Å; M110-Q112 PolarHBondContact O-N 3.01Å; Q112-S115 PolarHBondContact O-N 3.34Å; Q112-R116 WeakPolarHBondContact O-CG 2.96Å; Q112-R116 PolarHBondContact O-N 3.21Å
113Q91.5Very high92.2Very high19 Ų1930.2 Ų30.29%0.08915%0.148CC..Hα-helixtrans-60.2-51.6176.5-70.1-176.4-1.100110.7K109 M110 S115 R116 R117K109-Q113 HydrophobicContact CG-CG 4.36Å; K109-Q113 PolarHBondContact O-N 3.32Å; M110-Q113 PolarHBondContact O-N 3.05Å; Q113-S115 VanDerWaalsContact C-N 3.29Å; Q113-S115 PolarHBondContact O-N 3.03Å; Q113-R116 CarbonylContact O-C 3.57Å; Q113-R116 WeakPolarHBondContact O-CA 3.48Å; Q113-R116 WeakPolarHBondContact O-CB 3.39Å; Q113-R116 PolarHBondContact O-N 3.35Å; Q113-R117 WeakPolarHBondContact O-CG 3.32Å; Q113-R117 PolarHBondContact O-N 2.78Å
114R94.8Very high91.6Very high6 Ų632 Ų322%0.02316%0.163CC..Hα-helixtrans-51.6-47.9173.6-170.1-171.8-175.1-168.4-7.5112.2M110 R116 R117 F118 S548 V549 F576 L598 P599M110-R114 WeakPolarHBondContact O-CB 3.48Å; M110-R114 PolarHBondContact O-N 3.31Å; R114-R116 PolarHBondContact O-N 2.92Å; R114-R117 PolarHBondContact O-N 3.32Å; R114-F118 HydrophobicContact CG-CD2 3.62Å; R114-F118 HydrophobicContact CG-CE2 3.62Å; R114-F118 WeakPolarHBondContact O-CD2 3.08Å; R114-F118 PolarHBondContact O-N 3.44Å; R114-S548 WeakPolarHBondContact CD-O 3.49Å; R114-V549 WeakPolarHBondContact CA-O 3.46Å; R114-V549 HydrophobicContact CB-CB 4.34Å; R114-V549 HydrophobicContact CB-CG1 4.48Å; R114-F576 PolarHBondContact NH2-O 2.98Å; R114-L598 HydrophobicContact CG-CD1 4.22Å; R114-P599 VanDerWaalsContact CZ-O 3.23Å; R114-P599 PolarHBondContact NH1-O 3.23Å; R114-P599 PolarHBondContact NH2-O 3.33Å
115S91.5Very high91.1Very high33 Ų3337.2 Ų37.223%0.23119%0.187CC..Hα-helixtrans-64.6-22.3176.9-59.80000113.6N111 Q112 Q113 R119N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.01Å; N111-S115 VanDerWaalsContact O-N 3.12Å; N111-S115 PolarHBondContact O-OG 3.25Å; Q112-S115 PolarHBondContact O-N 3.34Å; Q113-S115 VanDerWaalsContact C-N 3.29Å; Q113-S115 PolarHBondContact O-N 3.03Å; S115-R119 PolarHBondContact O-NE 2.9Å; S115-R119 PolarHBondContact O-NH2 3.02Å
116R91Very high90.7Very high127 Ų12742.5 Ų42.548%0.47921%0.211SC..Hα-helixtrans-78.8-50.1168.8-68.9-177-170.8-156.29.4110.4Q112 Q113 R114 R119 A120Q112-R116 WeakPolarHBondContact O-CG 2.96Å; Q112-R116 PolarHBondContact O-N 3.21Å; Q113-R116 CarbonylContact O-C 3.57Å; Q113-R116 WeakPolarHBondContact O-CA 3.48Å; Q113-R116 WeakPolarHBondContact O-CB 3.39Å; Q113-R116 PolarHBondContact O-N 3.35Å; R114-R116 PolarHBondContact O-N 2.92Å; R116-R119 CarbonylContact O-C 3.52Å; R116-R119 PolarHBondContact O-N 2.92Å; R116-R119 VanDerWaalsContact O-N 3.16Å; R116-A120 PolarHBondContact O-N 3.07Å
117R94Very high90.2Very high25 Ų2546.8 Ų46.89%0.09423%0.23CC..Hα-helixtrans-64.2-46.7-173.9-62.2-164.9176117.98.4113.6Q113 R114 R119 A120 S121 N158 I160 T161Q113-R117 WeakPolarHBondContact O-CG 3.32Å; Q113-R117 PolarHBondContact O-N 2.78Å; R114-R117 PolarHBondContact O-N 3.32Å; R117-R119 VanDerWaalsContact C-N 3.26Å; R117-R119 PolarHBondContact O-N 2.87Å; R117-A120 PolarHBondContact O-N 3Å; R117-A120 VanDerWaalsContact O-N 3.11Å; R117-S121 PolarHBondContact O-N 3.31Å; R117-S121 PolarHBondContact O-OG 3.05Å; R117-N158 VanDerWaalsContact CB-OD1 3.23Å; R117-N158 WeakPolarHBondContact CB-OD1 3.3Å; R117-N158 WeakPolarHBondContact CD-OD1 3.47Å; R117-N158 WeakPolarHBondContact CG-OD1 3.48Å; R117-I160 PolarHBondContact NH2-O 3.26Å; R117-T161 PolarHBondContact NE-OG1 3.06Å; R117-T161 PolarHBondContact NH1-OG1 3.05Å; R117-T161 PolarHBondContact NH2-OG1 2.63Å
118F94.5Very high89.8Confident6 Ų650.8 Ų50.83%0.02625%0.249CC..Hα-helixtrans-58.6-36173-88-104.9000112.8R114 K122 F550 P551 Y577 F581 L598R114-F118 HydrophobicContact CG-CD2 3.62Å; R114-F118 HydrophobicContact CG-CE2 3.62Å; R114-F118 WeakPolarHBondContact O-CD2 3.08Å; R114-F118 PolarHBondContact O-N 3.44Å; F118-K122 WeakPolarHBondContact O-CB 3.32Å; F118-K122 PolarHBondContact O-N 3.46Å; F118-F550 VanDerWaalsContact CE2-O 3.26Å; F118-F550 WeakPolarHBondContact CE2-O 3.38Å; F118-P551 HydrophobicContact CD1-CB 3.96Å; F118-P551 HydrophobicContact CD2-CB 3.99Å; F118-P551 HydrophobicContact CE1-CB 4.05Å; F118-P551 HydrophobicContact CE2-CB 4.08Å; F118-P551 HydrophobicContact CG-CB 3.95Å; F118-P551 HydrophobicContact CZ-CB 4.12Å; F118-Y577 HydrophobicContact CZ-CD1 4.29Å; F118-F581 HydrophobicContact CB-CE1 3.9Å; F118-F581 HydrophobicContact CB-CZ 3.99Å; F118-F581 HydrophobicContact CD1-CD1 4.22Å; F118-F581 HydrophobicContact CD1-CE1 4.15Å; F118-F581 WeakPolarHBondContact O-CE1 3.2Å; F118-F581 WeakPolarHBondContact O-CZ 3.34Å; F118-L598 HydrophobicContact CB-CD1 3.78Å; F118-L598 HydrophobicContact CB-CD2 4.34Å; F118-L598 HydrophobicContact CD1-CD1 4.25Å; F118-L598 HydrophobicContact CD1-CD2 3.61Å; F118-L598 HydrophobicContact CD2-CD1 4Å; F118-L598 HydrophobicContact CE1-CD2 4.03Å; F118-L598 HydrophobicContact CG-CD1 3.75Å; F118-L598 HydrophobicContact CG-CD2 3.99Å
119R90.6Very high89.7Confident39 Ų3954 Ų5415%0.14726%0.262CS..Hα-helixtrans-73.3-39174.1-76.9-174.4-64.1143.314.1112.3S115 R116 R117 K122 E123 F581 V583 W592 A596S115-R119 PolarHBondContact O-NE 2.9Å; S115-R119 PolarHBondContact O-NH2 3.02Å; R116-R119 CarbonylContact O-C 3.52Å; R116-R119 PolarHBondContact O-N 2.92Å; R116-R119 VanDerWaalsContact O-N 3.16Å; R117-R119 VanDerWaalsContact C-N 3.26Å; R117-R119 PolarHBondContact O-N 2.87Å; R119-K122 PolarHBondContact O-N 2.84Å; R119-E123 VanDerWaalsContact O-CB 3.27Å; R119-E123 WeakPolarHBondContact O-CB 3.22Å; R119-E123 VanDerWaalsContact O-CG 3.26Å; R119-E123 WeakPolarHBondContact O-CG 3.36Å; R119-E123 PolarHBondContact O-N 2.83Å; R119-F581 HydrophobicContact CG-CE2 3.84Å; R119-F581 HydrophobicContact CG-CZ 3.9Å; R119-V583 HydrophobicContact CG-CG2 4.49Å; R119-W592 PolarHBondContact NH1-O 3.13Å; R119-A596 HydrophobicContact CG-CB 4.22Å
120A88.2Confident89.4Confident35 Ų3558 Ų5829%0.28928%0.284SS..Hα-helixtrans-61.2-46176.500000111.3R116 R117 E123 A124R116-A120 PolarHBondContact O-N 3.07Å; R117-A120 PolarHBondContact O-N 3Å; R117-A120 VanDerWaalsContact O-N 3.11Å; A120-E123 PolarHBondContact O-N 3.4Å; A120-A124 VanDerWaalsContact O-CB 3.29Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.08Å
121S90.7Very high88.9Confident19 Ų1959.9 Ų59.913%0.13329%0.294CS..Hα-helixtrans-65.1-40.5176.3-59.70000112.6R117 A124 E125 N158 P551R117-S121 PolarHBondContact O-N 3.31Å; R117-S121 PolarHBondContact O-OG 3.05Å; S121-A124 PolarHBondContact O-N 3.43Å; S121-E125 WeakPolarHBondContact O-CB 3.41Å; S121-E125 PolarHBondContact O-N 3.35Å; S121-N158 PolarHBondContact OG-ND2 3.49Å; S121-N158 VanDerWaalsContact OG-ND2 3.13Å; S121-P551 WeakPolarHBondContact OG-CG 3.46Å
122K90.1Very high88.7Confident50 Ų5064.4 Ų64.422%0.21731%0.313CS..Hα-helixtrans-65.4-43.1174.2179.7164.7178.41630112.6F118 R119 A124 E125 E126 D580 F581F118-K122 WeakPolarHBondContact O-CB 3.32Å; F118-K122 PolarHBondContact O-N 3.46Å; R119-K122 PolarHBondContact O-N 2.84Å; K122-A124 VanDerWaalsContact C-N 3.27Å; K122-A124 PolarHBondContact O-N 3.46Å; K122-E125 PolarHBondContact O-N 2.97Å; K122-E126 WeakPolarHBondContact CE-OE1 3.3Å; K122-E126 HydrophobicContact CG-CG 4.39Å; K122-E126 IonicContact NZ-OE1 2.69Å; K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 VanDerWaalsContact O-CG 3.3Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.34Å; K122-D580 IonicContact NZ-OD1 2.71Å; K122-D580 PolarHBondContact NZ-OD1 3.26Å; K122-D580 IonicContact NZ-OD2 3.27Å; K122-F581 HydrophobicContact CB-CE1 4.22Å; K122-F581 HydrophobicContact CB-CZ 4.23Å; K122-F581 HydrophobicContact CD-CE1 4.05Å; K122-F581 HydrophobicContact CD-CZ 4.08Å
123E86.8Confident88.7Confident90 Ų9063.5 Ų63.542%0.42131%0.313SS..Hα-helixtrans-65.7-30.6175.7-73173.9-172.400111.5R119 A120 K127R119-E123 VanDerWaalsContact O-CB 3.27Å; R119-E123 WeakPolarHBondContact O-CB 3.22Å; R119-E123 VanDerWaalsContact O-CG 3.26Å; R119-E123 WeakPolarHBondContact O-CG 3.36Å; R119-E123 PolarHBondContact O-N 2.83Å; A120-E123 PolarHBondContact O-N 3.4Å; E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 PolarHBondContact O-N 3.11Å; E123-K127 VanDerWaalsContact O-N 3.14Å
124A85.3Confident88.2Confident36 Ų3666.3 Ų66.330%0.29832%0.323SS..Hα-helixtrans-72.3-45.4173.600000112.5A120 S121 K122 K127 E128A120-A124 VanDerWaalsContact O-CB 3.29Å; A120-A124 WeakPolarHBondContact O-CB 3.38Å; A120-A124 PolarHBondContact O-N 3.08Å; S121-A124 PolarHBondContact O-N 3.43Å; K122-A124 VanDerWaalsContact C-N 3.27Å; K122-A124 PolarHBondContact O-N 3.46Å; A124-K127 PolarHBondContact O-N 3.46Å; A124-E128 WeakPolarHBondContact O-CB 3.07Å; A124-E128 PolarHBondContact O-N 3.3Å
125E87.4Confident87.7Confident116 Ų11667.9 Ų67.954%0.54233%0.328SS..Hα-helixtrans-62.4-48.3175.4-178.1-178.4-172.700111.5S121 K122 K127 E128 I129S121-E125 WeakPolarHBondContact O-CB 3.41Å; S121-E125 PolarHBondContact O-N 3.35Å; K122-E125 PolarHBondContact O-N 2.97Å; E125-K127 PolarHBondContact O-N 3.05Å; E125-E128 PolarHBondContact O-N 2.89Å; E125-I129 HydrophobicContact CG-CD1 4.09Å; E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 3.13Å
126E87.3Confident87.4Confident111 Ų11171.8 Ų71.852%0.51934%0.343SS..Hα-helixtrans-57.4-38.2174.7-74.8177.1-176.300111.6K122 L130K122-E126 WeakPolarHBondContact CE-OE1 3.3Å; K122-E126 HydrophobicContact CG-CG 4.39Å; K122-E126 IonicContact NZ-OE1 2.69Å; K122-E126 WeakPolarHBondContact O-CB 3.45Å; K122-E126 VanDerWaalsContact O-CG 3.3Å; K122-E126 WeakPolarHBondContact O-CG 3.31Å; K122-E126 PolarHBondContact O-N 3.34Å; E126-L130 VanDerWaalsContact O-CB 3.31Å; E126-L130 WeakPolarHBondContact O-CB 3.35Å; E126-L130 PolarHBondContact O-N 2.86Å; E126-L130 VanDerWaalsContact O-N 3.07Å
127K83.7Confident87.2Confident90 Ų9069.6 Ų69.639%0.39134%0.338SS..Hα-helixtrans-71-42.4175.9169.7172164165.30112.7E123 A124 E125 L130 I131 E264E123-K127 WeakPolarHBondContact O-CB 3.23Å; E123-K127 PolarHBondContact O-N 3.11Å; E123-K127 VanDerWaalsContact O-N 3.14Å; A124-K127 PolarHBondContact O-N 3.46Å; E125-K127 PolarHBondContact O-N 3.05Å; K127-L130 PolarHBondContact O-N 3.25Å; K127-I131 HydrophobicContact CD-CD1 4.49Å; K127-I131 HydrophobicContact CG-CD1 3.82Å; K127-I131 HydrophobicContact CG-CG1 4.43Å; K127-I131 WeakPolarHBondContact O-CG1 3.47Å; K127-I131 PolarHBondContact O-N 2.68Å; K127-E264 VanDerWaalsContact CE-CD 3.4Å; K127-E264 VanDerWaalsContact CE-OE1 3.3Å; K127-E264 WeakPolarHBondContact CE-OE1 3.3Å; K127-E264 WeakPolarHBondContact CE-OE2 3.35Å; K127-E264 IonicContact NZ-OE1 2.58Å; K127-E264 PolarHBondContact NZ-OE1 2.77Å; K127-E264 IonicContact NZ-OE2 3.79Å
128E85.7Confident86.5Confident99 Ų9969 Ų6946%0.46334%0.337SS..Hα-helixtrans-62.8-44.7178.4-170.4-171.2161.500111A124 E125 I131 K132A124-E128 WeakPolarHBondContact O-CB 3.07Å; A124-E128 PolarHBondContact O-N 3.3Å; E125-E128 PolarHBondContact O-N 2.89Å; E128-I131 PolarHBondContact O-N 2.86Å; E128-K132 HydrophobicContact CG-CD 4.42Å; E128-K132 WeakPolarHBondContact O-CG 3.17Å; E128-K132 PolarHBondContact O-N 3.04Å; E128-K132 WeakPolarHBondContact OE1-CE 3.47Å; E128-K132 IonicContact OE1-NZ 2.69Å; E128-K132 PolarHBondContact OE1-NZ 2.83Å
129I88.2Confident86Confident95 Ų9574 Ų7449%0.48736%0.36SS..Hα-helixtrans-59.3-48.2173.6-65.9167.2000110.1E125 I131 K132 T133E125-I129 HydrophobicContact CG-CD1 4.09Å; E125-I129 WeakPolarHBondContact O-CG1 3.42Å; E125-I129 PolarHBondContact O-N 3.13Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 2.94Å; I129-K132 PolarHBondContact O-N 2.96Å; I129-T133 PolarHBondContact O-N 2.84Å; I129-T133 PolarHBondContact O-OG1 2.94Å; I129-T133 VanDerWaalsContact O-OG1 3.13Å
130L84.9Confident85.8Confident117 Ų11779.6 Ų79.661%0.61339%0.392SS*.Hα-helixtrans-59-42.5178.1179.864.3000112.5E126 K127 R134E126-L130 VanDerWaalsContact O-CB 3.31Å; E126-L130 WeakPolarHBondContact O-CB 3.35Å; E126-L130 PolarHBondContact O-N 2.86Å; E126-L130 VanDerWaalsContact O-N 3.07Å; K127-L130 PolarHBondContact O-N 3.25Å; L130-R134 WeakPolarHBondContact O-CB 3.33Å; L130-R134 PolarHBondContact O-N 2.95Å
131I82.3Confident85.7Confident42 Ų4283.1 Ų83.122%0.21540%0.403CS..Hα-helixtrans-64.6-47.5176.5-70.4167.6000110.3K127 E128 I129 R134 R135 E264K127-I131 HydrophobicContact CD-CD1 4.49Å; K127-I131 HydrophobicContact CG-CD1 3.82Å; K127-I131 HydrophobicContact CG-CG1 4.43Å; K127-I131 WeakPolarHBondContact O-CG1 3.47Å; K127-I131 PolarHBondContact O-N 2.68Å; E128-I131 PolarHBondContact O-N 2.86Å; I129-I131 VanDerWaalsContact C-N 3.34Å; I129-I131 PolarHBondContact O-N 2.94Å; I131-R134 PolarHBondContact O-N 3.18Å; I131-R135 HydrophobicContact CG2-CG 4.32Å; I131-R135 WeakPolarHBondContact O-CG 3.38Å; I131-R135 PolarHBondContact O-N 3.35Å; I131-E264 HydrophobicContact CD1-CB 4.29Å
132K86.8Confident85.2Confident115 Ų11585.3 Ų85.350%0.543%0.428SS..Hα-helixtrans-59.3-50.5178.7-74.5176.6-177.1173.30111.8E128 I129 R134 R135 Q136E128-K132 HydrophobicContact CG-CD 4.42Å; E128-K132 WeakPolarHBondContact O-CG 3.17Å; E128-K132 PolarHBondContact O-N 3.04Å; E128-K132 WeakPolarHBondContact OE1-CE 3.47Å; E128-K132 IonicContact OE1-NZ 2.69Å; E128-K132 PolarHBondContact OE1-NZ 2.83Å; I129-K132 PolarHBondContact O-N 2.96Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.44Å; K132-R135 PolarHBondContact O-N 3.31Å; K132-Q136 WeakPolarHBondContact O-CG 3.39Å; K132-Q136 PolarHBondContact O-N 3.25Å
133T88.2Confident84.5Confident63 Ų6385.5 Ų85.539%0.38743%0.431SS..Hα-helixtrans-58.8-43.1175.6-57.40000111.1I129 Q136 E137I129-T133 PolarHBondContact O-N 2.84Å; I129-T133 PolarHBondContact O-OG1 2.94Å; I129-T133 VanDerWaalsContact O-OG1 3.13Å; T133-Q136 PolarHBondContact O-N 2.83Å; T133-E137 WeakPolarHBondContact O-CG 3.43Å; T133-E137 PolarHBondContact O-N 2.74Å
134R80.2Confident83.9Confident79 Ų7986.7 Ų86.730%0.29845%0.447SS..Hα-helixtrans-70-34.2-178.2-172.757.5-178.6173.17.1113.2L130 I131 K132 E137 M138 I265L130-R134 WeakPolarHBondContact O-CB 3.33Å; L130-R134 PolarHBondContact O-N 2.95Å; I131-R134 PolarHBondContact O-N 3.18Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 3.44Å; R134-E137 WeakPolarHBondContact CD-OE2 3.18Å; R134-E137 IonicContact CZ-OE2 3.81Å; R134-E137 IonicContact NE-OE2 2.79Å; R134-E137 IonicContact NH1-OE2 3.31Å; R134-E137 PolarHBondContact NH1-OE2 3.47Å; R134-E137 PolarHBondContact O-N 3.33Å; R134-M138 HydrophobicContact CG-SD 4.24Å; R134-M138 VanDerWaalsContact O-CG 3.28Å; R134-M138 WeakPolarHBondContact O-CG 3.39Å; R134-M138 PolarHBondContact O-N 3.2Å; R134-M138 VanDerWaalsContact O-N 3.11Å; R134-I265 HydrophobicContact CB-CD1 3.99Å; R134-I265 HydrophobicContact CG-CD1 3.59Å
135R84.2Confident83.3Confident38 Ų3886.7 Ų86.714%0.14344%0.442CS..Hα-helixtrans-64.5-46.8172.4-72-172.665.6108.77.2110.8I131 K132 E137 M138 E139 L145 P146 I265I131-R135 HydrophobicContact CG2-CG 4.32Å; I131-R135 WeakPolarHBondContact O-CG 3.38Å; I131-R135 PolarHBondContact O-N 3.35Å; K132-R135 PolarHBondContact O-N 3.31Å; R135-E137 PolarHBondContact O-N 3.04Å; R135-M138 PolarHBondContact O-N 3.27Å; R135-E139 WeakPolarHBondContact O-CG 3.2Å; R135-E139 PolarHBondContact O-N 2.87Å; R135-L145 HydrophobicContact CB-CD1 3.69Å; R135-L145 HydrophobicContact CG-CD1 3.87Å; R135-P146 PolarHBondContact NH1-O 3.38Å; R135-P146 PolarHBondContact NH2-O 3.08Å; R135-I265 HydrophobicContact CG-CD1 4.21Å; R135-I265 HydrophobicContact CG-CG1 4.46Å; R135-I265 HydrophobicContact CG-CG2 4.33Å
136Q86.4Confident82.7Confident115 Ų11583.8 Ų83.854%0.53743%0.432SS..Hα-helixtrans-58.1-43.1174.5-69.9171.4-1600112.6K132 T133 M138 E139 L140K132-Q136 WeakPolarHBondContact O-CG 3.39Å; K132-Q136 PolarHBondContact O-N 3.25Å; T133-Q136 PolarHBondContact O-N 2.83Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 2.91Å; Q136-E139 PolarHBondContact O-N 3.37Å; Q136-L140 WeakPolarHBondContact O-CB 3.31Å; Q136-L140 VanDerWaalsContact O-CG 3.27Å; Q136-L140 WeakPolarHBondContact O-CG 3.35Å; Q136-L140 PolarHBondContact O-N 3.26Å
137E85.1Confident82.1Confident81 Ų8184 Ų8438%0.37944%0.444SS..Hα-helixtrans-60-37.8174-75.1179.2168.700113T133 R134 R135 Q141T133-E137 WeakPolarHBondContact O-CG 3.43Å; T133-E137 PolarHBondContact O-N 2.74Å; R134-E137 WeakPolarHBondContact CD-OE2 3.18Å; R134-E137 IonicContact CZ-OE2 3.81Å; R134-E137 IonicContact NE-OE2 2.79Å; R134-E137 IonicContact NH1-OE2 3.31Å; R134-E137 PolarHBondContact NH1-OE2 3.47Å; R134-E137 PolarHBondContact O-N 3.33Å; R135-E137 PolarHBondContact O-N 3.04Å; E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.4Å; E137-Q141 PolarHBondContact O-N 3.1Å
138M80.9Confident81.5Confident13 Ų1384.2 Ų84.26%0.06445%0.452CS..Hα-helixtrans-76.3-38.1-179.6-71.5176.371.100112R134 R135 Q136 Q141 G142 I143 L145 I265R134-M138 HydrophobicContact CG-SD 4.24Å; R134-M138 VanDerWaalsContact O-CG 3.28Å; R134-M138 WeakPolarHBondContact O-CG 3.39Å; R134-M138 PolarHBondContact O-N 3.2Å; R134-M138 VanDerWaalsContact O-N 3.11Å; R135-M138 PolarHBondContact O-N 3.27Å; Q136-M138 VanDerWaalsContact C-N 3.3Å; Q136-M138 PolarHBondContact O-N 2.91Å; M138-Q141 CarbonylContact O-C 3.57Å; M138-Q141 PolarHBondContact O-N 3.26Å; M138-Q141 VanDerWaalsContact O-N 3.16Å; M138-G142 PolarHBondContact O-N 3.29Å; M138-I143 HydrophobicContact CB-CB 4.25Å; M138-I143 HydrophobicContact CB-CD1 4.45Å; M138-I143 HydrophobicContact CE-CB 4.47Å; M138-I143 HydrophobicContact CE-CD1 4.49Å; M138-I143 HydrophobicContact CE-CG2 3.75Å; M138-I143 HydrophobicContact CG-CD1 4.27Å; M138-I143 WeakPolarHBondContact O-CB 3.33Å; M138-I143 PolarHBondContact O-N 2.82Å; M138-L145 HydrophobicContact CB-CD1 4.34Å; M138-L145 HydrophobicContact CB-CD2 3.84Å; M138-L145 HydrophobicContact CB-CG 4.32Å; M138-L145 HydrophobicContact CE-CD2 3.55Å; M138-L145 HydrophobicContact CG-CD2 4.49Å; M138-L145 HydrophobicContact SD-CD2 3.96Å; M138-I265 HydrophobicContact SD-CD1 4.03Å
139E82.7Confident80.7Confident110 Ų11084.3 Ų84.351%0.51446%0.456SS..Hα-helixtrans-61.4-45.5171.9-73.8160.3-167.500111.2R135 Q136 Q141 G142 L145R135-E139 WeakPolarHBondContact O-CG 3.2Å; R135-E139 PolarHBondContact O-N 2.87Å; Q136-E139 PolarHBondContact O-N 3.37Å; E139-Q141 PolarHBondContact O-N 3.02Å; E139-G142 PolarHBondContact O-N 3.39Å; E139-L145 HydrophobicContact CG-CD1 3.75Å; E139-L145 HydrophobicContact CG-CG 4.46Å; E139-L145 WeakPolarHBondContact OE1-CD1 3.47Å
140L87.1Confident79.7Confident158 Ų15888.6 Ų88.683%0.82747%0.474SS*.Hα-helixtrans-63.7-23.2174.1-72170.8000113.6Q136 G142Q136-L140 WeakPolarHBondContact O-CB 3.31Å; Q136-L140 VanDerWaalsContact O-CG 3.27Å; Q136-L140 WeakPolarHBondContact O-CG 3.35Å; Q136-L140 PolarHBondContact O-N 3.26Å; L140-G142 VanDerWaalsContact C-N 3.34Å
141Q85.2Confident78.5Confident109 Ų10989.6 Ų89.651%0.50948%0.48SS..THydrogen-bonded Turntrans-87.8-0.2173.9-73.2168.421.800113.1E137 M138 E139 I143E137-Q141 VanDerWaalsContact O-CG 3.23Å; E137-Q141 WeakPolarHBondContact O-CG 3.4Å; E137-Q141 PolarHBondContact O-N 3.1Å; M138-Q141 CarbonylContact O-C 3.57Å; M138-Q141 PolarHBondContact O-N 3.26Å; M138-Q141 VanDerWaalsContact O-N 3.16Å; E139-Q141 PolarHBondContact O-N 3.02Å; Q141-I143 HydrophobicContact CB-CD1 3.95Å; Q141-I143 HydrophobicContact CB-CG1 4Å; Q141-I143 PolarHBondContact O-N 3.44Å
142G79.7Confident77.5Confident65 Ų6590.7 Ų90.767%0.6750%0.495SS*.THydrogen-bonded Turntrans68.319.6-176.300000113.8M138 E139 L140M138-G142 PolarHBondContact O-N 3.29Å; E139-G142 PolarHBondContact O-N 3.39Å; L140-G142 VanDerWaalsContact C-N 3.34Å
143I76Confident76.3Confident53 Ų5393 Ų9327%0.27251%0.508SS..PPolyproline II helixtrans-80.7121.5177.7-60.5169.5000107.9M138 Q141 L145M138-I143 HydrophobicContact CB-CB 4.25Å; M138-I143 HydrophobicContact CB-CD1 4.45Å; M138-I143 HydrophobicContact CE-CB 4.47Å; M138-I143 HydrophobicContact CE-CD1 4.49Å; M138-I143 HydrophobicContact CE-CG2 3.75Å; M138-I143 HydrophobicContact CG-CD1 4.27Å; M138-I143 WeakPolarHBondContact O-CB 3.33Å; M138-I143 PolarHBondContact O-N 2.82Å; Q141-I143 HydrophobicContact CB-CD1 3.95Å; Q141-I143 HydrophobicContact CB-CG1 4Å; Q141-I143 PolarHBondContact O-N 3.44Å; I143-L145 PolarHBondContact O-N 3.04Å
144P74.9Confident75.5Confident116 Ų11697 Ų9775%0.75352%0.522SS*.PPolyproline II helixtrans-63.9125.8177.526.4-33.7000110
145L72.5Confident75.6Confident36 Ų3695.4 Ų95.419%0.18852%0.517CS..PPolyproline II helixtrans-99.9149.2175-66.3-175.7000110.6R135 M138 E139 I143 I265R135-L145 HydrophobicContact CB-CD1 3.69Å; R135-L145 HydrophobicContact CG-CD1 3.87Å; M138-L145 HydrophobicContact CB-CD1 4.34Å; M138-L145 HydrophobicContact CB-CD2 3.84Å; M138-L145 HydrophobicContact CB-CG 4.32Å; M138-L145 HydrophobicContact CE-CD2 3.55Å; M138-L145 HydrophobicContact CG-CD2 4.49Å; M138-L145 HydrophobicContact SD-CD2 3.96Å; E139-L145 HydrophobicContact CG-CD1 3.75Å; E139-L145 HydrophobicContact CG-CG 4.46Å; E139-L145 WeakPolarHBondContact OE1-CD1 3.47Å; I143-L145 PolarHBondContact O-N 3.04Å; L145-I265 HydrophobicContact CD2-CG2 3.89Å
146P75.2Confident75.7Confident54 Ų5494.6 Ų94.635%0.35152%0.515SS..PPolyproline II helixtrans-60.8146.5164.228-32.6000109.1R135 I265R135-P146 PolarHBondContact NH1-O 3.38Å; R135-P146 PolarHBondContact NH2-O 3.08Å; P146-I265 WeakPolarHBondContact CG-O 3.24Å
147P73.5Confident75.9Confident117 Ų11791 Ų9176%0.7650%0.503SS*.PPolyproline II helixtrans-54.3148.4174.625.2-34.1000109.9D149P147-D149 PolarHBondContact O-N 3.37Å
148V72.5Confident76.2Confident93 Ų9387.4 Ų87.456%0.56449%0.487SS*.PPolyproline II helixtrans-69.5125.6164.4-179.10000105.8E150V148-E150 PolarHBondContact O-N 3.46Å; V148-E150 VanDerWaalsContact O-N 3.1Å
149D69Low76.9Confident101 Ų10187 Ų8754%0.5449%0.485SS..  trans-73.7100.9169.7-174.9-1.6000107.9P147 N151 A152P147-D149 PolarHBondContact O-N 3.37Å; D149-N151 PolarHBondContact O-N 3.31Å; D149-N151 WeakPolarHBondContact OD1-CB 3.19Å; D149-N151 PolarHBondContact OD1-N 3.42Å; D149-A152 HydrophobicContact CB-CB 3.89Å; D149-A152 WeakPolarHBondContact O-CB 3.49Å; D149-A152 PolarHBondContact O-N 3.23Å; D149-A152 VanDerWaalsContact O-N 3.14Å
150E66.3Low77.4Confident186 Ų18682 Ų8287%0.86946%0.462SS*.THydrogen-bonded Turntrans-66-16.5179.9-61.6-175.8170.500112.3V148V148-E150 PolarHBondContact O-N 3.46Å; V148-E150 VanDerWaalsContact O-N 3.1Å
151N59Low77.8Confident138 Ų13874.5 Ų74.574%0.73842%0.423SS*.THydrogen-bonded Turntrans-94.4-2.8176.1-52.4-63.9000113.1D149 E153D149-N151 PolarHBondContact O-N 3.31Å; D149-N151 WeakPolarHBondContact OD1-CB 3.19Å; D149-N151 PolarHBondContact OD1-N 3.42Å; N151-E153 PolarHBondContact O-N 2.83Å
152A61.1Low78.4Confident65 Ų6569.5 Ų69.554%0.53740%0.399SS..  trans-71.294.3179.700000110.8D149 H154D149-A152 HydrophobicContact CB-CB 3.89Å; D149-A152 WeakPolarHBondContact O-CB 3.49Å; D149-A152 PolarHBondContact O-N 3.23Å; D149-A152 VanDerWaalsContact O-N 3.14Å; A152-H154 PolarHBondContact O-N 3.45Å
153E61.5Low79.2Confident164 Ų16466.8 Ų66.877%0.76637%0.372SS*.  trans-59.8123176.3-66.2-167.116400110.9N151 F155N151-E153 PolarHBondContact O-N 2.83Å; E153-F155 PolarHBondContact O-N 3.22Å
154H72.9Confident80.2Confident146 Ų14664.3 Ų64.368%0.67636%0.359SS*.  trans-70.4101.5175.8-179.582.3000110.2A152 D156A152-H154 PolarHBondContact O-N 3.45Å; H154-D156 PolarHBondContact O-N 3.02Å
155F81.8Confident81.2Confident46 Ų4660.3 Ų60.320%0.20233%0.333CS..  trans-66.198.1174.7-177.6-100.7000111.6C62 H63 M76 E153 S157 C159 I160 F166C62-F155 HydrophobicContact CB-CD1 4.13Å; C62-F155 HydrophobicContact CB-CE1 3.43Å; C62-F155 VanDerWaalsContact CB-CE1 3.43Å; C62-F155 HydrophobicContact CB-CE2 4.26Å; C62-F155 HydrophobicContact CB-CZ 3.5Å; C62-F155 VanDerWaalsContact CB-CZ 3.5Å; H63-F155 AromaticContact ND1-CE1 3.92Å; M76-F155 HydrophobicContact CE-CB 4.19Å; M76-F155 HydrophobicContact CE-CD2 3.49Å; M76-F155 VanDerWaalsContact CE-CD2 3.49Å; M76-F155 HydrophobicContact CE-CE2 4.01Å; M76-F155 HydrophobicContact CE-CG 3.88Å; M76-F155 HydrophobicContact SD-CD2 3.67Å; M76-F155 HydrophobicContact SD-CE2 3.51Å; M76-F155 VanDerWaalsContact SD-CE2 3.51Å; M76-F155 HydrophobicContact SD-CG 4.4Å; M76-F155 HydrophobicContact SD-CZ 4.16Å; E153-F155 PolarHBondContact O-N 3.22Å; F155-S157 PolarHBondContact O-N 3.43Å; F155-C159 WeakPolarHBondContact CE2-SG 3.15Å; F155-C159 WeakPolarHBondContact CZ-SG 3.24Å; F155-I160 HydrophobicContact CE1-CD1 4.19Å; F155-I160 HydrophobicContact CZ-CD1 4.21Å; F155-I160 HydrophobicContact CZ-CG1 4.18Å; F155-F166 HydrophobicContact CE2-CE2 4.27Å
156D86.8Confident82.3Confident20 Ų2058.8 Ų58.811%0.10733%0.325CS..  trans-69.498.217017616.5000110.2H154 N158 C159 S554 H557H154-D156 PolarHBondContact O-N 3.02Å; D156-N158 PolarHBondContact O-N 2.8Å; D156-N158 VanDerWaalsContact OD1-CB 3.24Å; D156-N158 WeakPolarHBondContact OD1-CB 3.46Å; D156-N158 PolarHBondContact OD1-N 3.06Å; D156-N158 PolarHBondContact OD1-ND2 3.43Å; D156-C159 VanDerWaalsContact O-CB 3.28Å; D156-C159 WeakPolarHBondContact O-CB 3.37Å; D156-C159 PolarHBondContact O-N 3.2Å; D156-C159 PolarHBondContact O-SG 2.99Å; D156-S554 PolarHBondContact OD1-OG 3.37Å; D156-S554 VanDerWaalsContact OD2-CB 3.23Å; D156-S554 WeakPolarHBondContact OD2-CB 3.37Å; D156-S554 PolarHBondContact OD2-OG 3.28Å; D156-H557 IonicContact OD2-CD2 3.13Å; D156-H557 PolarHBondContact OD2-CD2 3.28Å; D156-H557 IonicContact OD2-NE2 3.38Å; D156-H557 PolarHBondContact OD2-NE2 2.88Å
157S89.4Confident83.3Confident39 Ų3956.4 Ų56.427%0.27331%0.309SS..G310 helixtrans-55-14.7177.366.30000115.4F155 C159 I160F155-S157 PolarHBondContact O-N 3.43Å; S157-C159 PolarHBondContact O-N 3.33Å; S157-I160 PolarHBondContact O-N 2.84Å
158N92.9Very high84.4Confident7 Ų752.6 Ų52.64%0.03729%0.285CS..G310 helixtrans-68.6-16.3170.8-64.3-42.2000112.6R117 S121 D156 I160 T161 F550 S554R117-N158 VanDerWaalsContact CB-OD1 3.23Å; R117-N158 WeakPolarHBondContact CB-OD1 3.3Å; R117-N158 WeakPolarHBondContact CD-OD1 3.47Å; R117-N158 WeakPolarHBondContact CG-OD1 3.48Å; S121-N158 PolarHBondContact OG-ND2 3.49Å; S121-N158 VanDerWaalsContact OG-ND2 3.13Å; D156-N158 PolarHBondContact O-N 2.8Å; D156-N158 VanDerWaalsContact OD1-CB 3.24Å; D156-N158 WeakPolarHBondContact OD1-CB 3.46Å; D156-N158 PolarHBondContact OD1-N 3.06Å; D156-N158 PolarHBondContact OD1-ND2 3.43Å; N158-I160 PolarHBondContact O-N 3.05Å; N158-I160 VanDerWaalsContact O-N 3.13Å; N158-T161 PolarHBondContact O-OG1 2.87Å; N158-F550 HydrophobicContact CB-CD1 4.34Å; N158-F550 HydrophobicContact CB-CE1 3.87Å; N158-F550 HydrophobicContact CB-CZ 4.35Å; N158-F550 VanDerWaalsContact O-CE1 3.23Å; N158-F550 WeakPolarHBondContact O-CE1 3.3Å; N158-F550 WeakPolarHBondContact O-CZ 3.24Å; N158-S554 WeakPolarHBondContact CB-OG 3.24Å; N158-S554 PolarHBondContact ND2-OG 3.36Å
159C93.9Very high85.5Confident5 Ų553.2 Ų53.23%0.03428%0.277CS..G310 helixtrans-60.3-19.5173.178.70000113F155 D156 S157 T161 T164 F166F155-C159 WeakPolarHBondContact CE2-SG 3.15Å; F155-C159 WeakPolarHBondContact CZ-SG 3.24Å; D156-C159 VanDerWaalsContact O-CB 3.28Å; D156-C159 WeakPolarHBondContact O-CB 3.37Å; D156-C159 PolarHBondContact O-N 3.2Å; D156-C159 PolarHBondContact O-SG 2.99Å; S157-C159 PolarHBondContact O-N 3.33Å; C159-T161 PolarHBondContact O-N 2.94Å; C159-T164 WeakPolarHBondContact O-CB 3.39Å; C159-T164 WeakPolarHBondContact O-CG2 3.44Å; C159-T164 PolarHBondContact O-OG1 3.38Å; C159-F166 HydrophobicContact CB-CB 4.21Å
160I94.3Very high86.9Confident4 Ų448.4 Ų48.42%0.02125%0.252CS..SBendtrans-75.168172.5-49.7167.4000108.9I58 R117 F155 S157 N158 F166 M167I58-I160 HydrophobicContact CG2-CD1 3.95Å; I58-I160 HydrophobicContact CG2-CG1 4.06Å; I58-I160 HydrophobicContact CG2-CG2 4.02Å; R117-I160 PolarHBondContact NH2-O 3.26Å; F155-I160 HydrophobicContact CE1-CD1 4.19Å; F155-I160 HydrophobicContact CZ-CD1 4.21Å; F155-I160 HydrophobicContact CZ-CG1 4.18Å; S157-I160 PolarHBondContact O-N 2.84Å; N158-I160 PolarHBondContact O-N 3.05Å; N158-I160 VanDerWaalsContact O-N 3.13Å; I160-F166 HydrophobicContact CG1-CE1 4.09Å; I160-M167 HydrophobicContact CG2-SD 4.25Å
161T95.4Very high88.3Confident1 Ų139.9 Ų39.91%0.00621%0.213CC..SBendtrans-152.4136.7-176.3-53.20000110.9R117 N158 C159 G163 T164 M167 L546 V549 F550R117-T161 PolarHBondContact NE-OG1 3.06Å; R117-T161 PolarHBondContact NH1-OG1 3.05Å; R117-T161 PolarHBondContact NH2-OG1 2.63Å; N158-T161 PolarHBondContact O-OG1 2.87Å; C159-T161 PolarHBondContact O-N 2.94Å; T161-G163 PolarHBondContact O-N 3.18Å; T161-T164 VanDerWaalsContact O-CG2 3.24Å; T161-T164 WeakPolarHBondContact O-CG2 3.34Å; T161-T164 PolarHBondContact O-N 3.08Å; T161-T164 PolarHBondContact O-OG1 3.18Å; T161-T164 VanDerWaalsContact O-OG1 3.11Å; T161-M167 WeakPolarHBondContact O-CG 3.09Å; T161-L546 HydrophobicContact CG2-CD2 3.42Å; T161-L546 VanDerWaalsContact CG2-CD2 3.42Å; T161-L546 HydrophobicContact CG2-CG 4.44Å; T161-V549 HydrophobicContact CG2-CG2 4.47Å; T161-F550 HydrophobicContact CG2-CE1 4.11Å; T161-F550 HydrophobicContact CG2-CZ 4.33Å; T161-F550 WeakPolarHBondContact OG1-CE1 3.48Å
162P97.2Very high90Very high3 Ų338 Ų382%0.01920%0.2CC..THydrogen-bonded Turntrans-46.9136.6172.4-2729.8000114D102 G103 V104 A198 L546D102-P162 WeakPolarHBondContact O-CG 3.44Å; G103-P162 VanDerWaalsContact O-CG 3.28Å; G103-P162 WeakPolarHBondContact O-CG 3.28Å; V104-P162 HydrophobicContact CG2-CB 4.38Å; P162-A198 HydrophobicContact CB-CB 4.35Å; P162-A198 HydrophobicContact CG-CB 4.39Å; P162-L546 WeakPolarHBondContact O-CG 3.38Å
163G96.3Very high91.7Very high9 Ų936.6 Ų36.69%0.09319%0.186CC..THydrogen-bonded Turntrans91.8-15.1178.800000115.3T161 F543 R624T161-G163 PolarHBondContact O-N 3.18Å; G163-F543 WeakPolarHBondContact O-CE1 3.45Å; G163-R624 PolarHBondContact O-NH1 3.14Å
164T96.8Very high93.4Very high1 Ų128.8 Ų28.81%0.00615%0.149CC..SBendtrans-71.9155.4177.368.80000111.3C159 T161 F166 M167 S168 L546 F550 H557C159-T164 WeakPolarHBondContact O-CB 3.39Å; C159-T164 WeakPolarHBondContact O-CG2 3.44Å; C159-T164 PolarHBondContact O-OG1 3.38Å; T161-T164 VanDerWaalsContact O-CG2 3.24Å; T161-T164 WeakPolarHBondContact O-CG2 3.34Å; T161-T164 PolarHBondContact O-N 3.08Å; T161-T164 PolarHBondContact O-OG1 3.18Å; T161-T164 VanDerWaalsContact O-OG1 3.11Å; T164-F166 VanDerWaalsContact C-N 3.3Å; T164-F166 PolarHBondContact O-N 3.03Å; T164-M167 PolarHBondContact O-N 3.19Å; T164-M167 WeakPolarHBondContact OG1-CG 3.4Å; T164-M167 PolarHBondContact OG1-N 3.39Å; T164-S168 PolarHBondContact O-N 3.32Å; T164-L546 HydrophobicContact CG2-CD2 3.84Å; T164-F550 HydrophobicContact CG2-CE2 4.38Å; T164-F550 HydrophobicContact CG2-CZ 4Å; T164-H557 HydrophobicContact CG2-CB 3.97Å
165P96Very high94.5Very high32 Ų3226.2 Ų26.221%0.20813%0.134CC..Hα-helixtrans-58.3-40173.9-25.335.2000113.1M167 S168 R169P165-M167 PolarHBondContact O-N 3.35Å; P165-S168 WeakPolarHBondContact O-CB 3.38Å; P165-S168 PolarHBondContact O-N 2.84Å; P165-S168 VanDerWaalsContact O-N 3.14Å; P165-R169 PolarHBondContact O-N 3.22Å
166F95.6Very high95.2Very high3 Ų331.4 Ų31.41%0.01315%0.153CC..Hα-helixtrans-54.8-48.2177.2173.8-99.3000112.3I58 E73 M77 F155 C159 I160 T164 S168 R169 L170I58-F166 HydrophobicContact CG2-CE1 4.12Å; I58-F166 HydrophobicContact CG2-CZ 4.26Å; E73-F166 HydrophobicContact CG-CD2 4.19Å; E73-F166 HydrophobicContact CG-CE2 4.42Å; M77-F166 HydrophobicContact CE-CD2 4.42Å; M77-F166 HydrophobicContact CE-CE2 3.99Å; F155-F166 HydrophobicContact CE2-CE2 4.27Å; C159-F166 HydrophobicContact CB-CB 4.21Å; I160-F166 HydrophobicContact CG1-CE1 4.09Å; T164-F166 VanDerWaalsContact C-N 3.3Å; T164-F166 PolarHBondContact O-N 3.03Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.78Å; F166-R169 PolarHBondContact O-N 2.9Å; F166-L170 HydrophobicContact CE1-CD2 4.26Å; F166-L170 WeakPolarHBondContact O-CB 3.43Å; F166-L170 PolarHBondContact O-N 3.41Å
167M96.9Very high95.6Very high5 Ų530.5 Ų30.53%0.02515%0.148CC..Hα-helixtrans-68.3-28-179.5-62.5-58.3-75.200112.8I101 I160 T161 T164 P165 L170 A171 A198I101-M167 HydrophobicContact CG2-CE 3.18Å; I160-M167 HydrophobicContact CG2-SD 4.25Å; T161-M167 WeakPolarHBondContact O-CG 3.09Å; T164-M167 PolarHBondContact O-N 3.19Å; T164-M167 WeakPolarHBondContact OG1-CG 3.4Å; T164-M167 PolarHBondContact OG1-N 3.39Å; P165-M167 PolarHBondContact O-N 3.35Å; M167-L170 HydrophobicContact CE-CD2 4.34Å; M167-L170 HydrophobicContact SD-CD2 4.13Å; M167-A171 PolarHBondContact O-N 2.81Å; M167-A171 VanDerWaalsContact O-N 3.14Å; M167-A198 HydrophobicContact CB-CB 4.15Å; M167-A198 HydrophobicContact CE-CB 3.94Å
168S96.1Very high95.9Very high36 Ų3628.7 Ų28.725%0.25214%0.135SC..Hα-helixtrans-70-45.3173.3-165.20000111.4T164 P165 F166 A171 E172T164-S168 PolarHBondContact O-N 3.32Å; P165-S168 WeakPolarHBondContact O-CB 3.38Å; P165-S168 PolarHBondContact O-N 2.84Å; P165-S168 VanDerWaalsContact O-N 3.14Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 2.78Å; S168-A171 PolarHBondContact O-N 3.15Å; S168-E172 PolarHBondContact O-N 3.35Å
169R96.4Very high95.9Very high106 Ų10630.8 Ų30.840%0.415%0.146SC..Hα-helixtrans-63.3-45.9175.2-71.9-171.8-68.3-92.45.5111.5E73 P165 F166 A171 E172 C173E73-R169 IonicContact OE1-CZ 3.82Å; E73-R169 IonicContact OE1-NE 3.7Å; E73-R169 IonicContact OE1-NH2 3.47Å; E73-R169 PolarHBondContact OE1-NH2 3.12Å; E73-R169 IonicContact OE2-CZ 3.98Å; E73-R169 VanDerWaalsContact OE2-CZ 3.25Å; E73-R169 IonicContact OE2-NE 2.63Å; E73-R169 PolarHBondContact OE2-NE 3.36Å; E73-R169 IonicContact OE2-NH2 2.81Å; E73-R169 PolarHBondContact OE2-NH2 3.25Å; P165-R169 PolarHBondContact O-N 3.22Å; F166-R169 PolarHBondContact O-N 2.9Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 3.03Å; R169-E172 PolarHBondContact O-N 3.42Å; R169-C173 WeakPolarHBondContact O-CB 3.37Å; R169-C173 PolarHBondContact O-N 3.3Å; R169-C173 PolarHBondContact O-SG 2.73Å
170L97.3Very high95.9Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-54.7-42.4175.2176.362.6000112.2I58 M77 I80 I101 F166 M167 C173 L174I58-L170 HydrophobicContact CD1-CD2 3.54Å; I58-L170 HydrophobicContact CG1-CD2 3.93Å; M77-L170 HydrophobicContact CE-CB 4.03Å; M77-L170 HydrophobicContact CE-CD1 4.35Å; M77-L170 HydrophobicContact SD-CB 4.29Å; M77-L170 HydrophobicContact SD-CD1 3.54Å; M77-L170 VanDerWaalsContact SD-CD1 3.54Å; I80-L170 HydrophobicContact CD1-CD1 3.89Å; I101-L170 HydrophobicContact CD1-CD2 4.47Å; F166-L170 HydrophobicContact CE1-CD2 4.26Å; F166-L170 WeakPolarHBondContact O-CB 3.43Å; F166-L170 PolarHBondContact O-N 3.41Å; M167-L170 HydrophobicContact CE-CD2 4.34Å; M167-L170 HydrophobicContact SD-CD2 4.13Å; L170-C173 PolarHBondContact O-N 3.37Å; L170-L174 HydrophobicContact CD1-CD1 3.87Å; L170-L174 HydrophobicContact CD1-CG 4.07Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.32Å; L170-L174 PolarHBondContact O-N 3.24Å
171A96.6Very high95.9Very high7 Ų735 Ų356%0.05817%0.165CC..Hα-helixtrans-62.8-42175.500000112.1M167 S168 R169 L174 R175 D197M167-A171 PolarHBondContact O-N 2.81Å; M167-A171 VanDerWaalsContact O-N 3.14Å; S168-A171 PolarHBondContact O-N 3.15Å; R169-A171 VanDerWaalsContact C-N 3.28Å; R169-A171 PolarHBondContact O-N 3.03Å; A171-L174 PolarHBondContact O-N 2.83Å; A171-R175 WeakPolarHBondContact O-CG 3.49Å; A171-R175 PolarHBondContact O-N 3.36Å; A171-D197 HydrophobicContact CB-CB 3.84Å
172E95.6Very high95.8Very high98 Ų9835.7 Ų35.746%0.45817%0.168SC..Hα-helixtrans-67-43.7176.9-68.7174.9177.900111.8S168 R169 L174 R175 Y176 K623S168-E172 PolarHBondContact O-N 3.35Å; R169-E172 PolarHBondContact O-N 3.42Å; E172-L174 PolarHBondContact O-N 3.03Å; E172-R175 PolarHBondContact O-N 3.28Å; E172-Y176 PolarHBondContact O-N 2.82Å; E172-K623 IonicContact OE1-NZ 2.81Å
173C97.1Very high95.4Very high36 Ų3639.9 Ų39.924%0.24320%0.198CC..Hα-helixtrans-59-43.6173.3-67.50000112.4M77 F81 R169 L170 Y176 Y177M77-C173 HydrophobicContact CG-CB 4.19Å; M77-C173 HydrophobicContact SD-CB 4.03Å; F81-C173 HydrophobicContact CE1-CB 4.42Å; F81-C173 HydrophobicContact CZ-CB 3.95Å; F81-C173 WeakPolarHBondContact CZ-O 3.5Å; R169-C173 WeakPolarHBondContact O-CB 3.37Å; R169-C173 PolarHBondContact O-N 3.3Å; R169-C173 PolarHBondContact O-SG 2.73Å; L170-C173 PolarHBondContact O-N 3.37Å; C173-Y176 WeakPolarHBondContact O-CB 3.39Å; C173-Y176 PolarHBondContact O-N 3.29Å; C173-Y177 PolarHBondContact O-N 3.25Å
174L97.2Very high95.2Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-67.6-36177-72.8168000112.4M54 I80 F81 I84 M99 I101 L170 A171 E172 Y176 Y177 I178 L195M54-L174 HydrophobicContact CE-CD1 3.92Å; M54-L174 HydrophobicContact CE-CD2 3.93Å; I80-L174 HydrophobicContact CG2-CD2 4.36Å; F81-L174 HydrophobicContact CD1-CD2 4.43Å; F81-L174 HydrophobicContact CE1-CD2 4.13Å; I84-L174 HydrophobicContact CD1-CD2 3.82Å; M99-L174 HydrophobicContact CE-CD2 3.85Å; I101-L174 HydrophobicContact CD1-CD1 3.66Å; L170-L174 HydrophobicContact CD1-CD1 3.87Å; L170-L174 HydrophobicContact CD1-CG 4.07Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.34Å; L170-L174 VanDerWaalsContact O-CG 3.25Å; L170-L174 WeakPolarHBondContact O-CG 3.32Å; L170-L174 PolarHBondContact O-N 3.24Å; A171-L174 PolarHBondContact O-N 2.83Å; E172-L174 PolarHBondContact O-N 3.03Å; L174-Y176 VanDerWaalsContact C-N 3.33Å; L174-Y177 PolarHBondContact O-N 3.28Å; L174-I178 WeakPolarHBondContact O-CD1 3.12Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.01Å; L174-L195 HydrophobicContact CB-CD1 4.38Å; L174-L195 HydrophobicContact CB-CD2 4.2Å; L174-L195 HydrophobicContact CD1-CD1 4.29Å
175R95.6Very high94.9Very high93 Ų9344.6 Ų44.635%0.35123%0.226SC..Hα-helixtrans-63.1-39.7172.6-67.8168.8-172-165.73.4111.2A171 E172 N179 L195 D197 F633A171-R175 WeakPolarHBondContact O-CG 3.49Å; A171-R175 PolarHBondContact O-N 3.36Å; E172-R175 PolarHBondContact O-N 3.28Å; R175-N179 PolarHBondContact O-N 3.16Å; R175-N179 PolarHBondContact O-ND2 3.35Å; R175-L195 HydrophobicContact CG-CD2 3.68Å; R175-D197 IonicContact CZ-OD2 2.72Å; R175-D197 IonicContact NE-OD2 3.83Å; R175-D197 IonicContact NH2-OD2 3.9Å; R175-D197 PolarHBondContact NH2-OD2 3.49Å; R175-F633 HydrophobicContact CB-CZ 4.4Å; R175-F633 HydrophobicContact CG-CZ 3.99Å
176Y95Very high94.8Very high155 Ų15547.8 Ų47.861%0.60825%0.247SC*.Hα-helixtrans-62-52.5172.1166.4-100.9000111.4E172 C173 L174 I178 N179 D180E172-Y176 PolarHBondContact O-N 2.82Å; C173-Y176 WeakPolarHBondContact O-CB 3.39Å; C173-Y176 PolarHBondContact O-N 3.29Å; L174-Y176 VanDerWaalsContact C-N 3.33Å; Y176-I178 VanDerWaalsContact C-N 3.34Å; Y176-I178 PolarHBondContact O-N 3.2Å; Y176-N179 PolarHBondContact O-N 3.31Å; Y176-N179 VanDerWaalsContact O-N 3.12Å; Y176-D180 PolarHBondContact O-N 2.85Å
177Y96.4Very high94.6Very high1 Ų148.3 Ų48.30%0.00425%0.252CS..Hα-helixtrans-55-44.4179.3164.6-95.7000113.1F81 I84 D85 M99 C173 L174 N179 D180 R181 W188F81-Y177 HydrophobicContact CB-CD2 3.68Å; F81-Y177 HydrophobicContact CB-CE2 3.83Å; F81-Y177 HydrophobicContact CD1-CD1 4.39Å; F81-Y177 AromaticContact CD1-CD2 3.66Å; F81-Y177 HydrophobicContact CD1-CD2 3.66Å; F81-Y177 HydrophobicContact CD1-CE2 4.39Å; F81-Y177 AromaticContact CD1-CG 3.68Å; F81-Y177 HydrophobicContact CD1-CG 3.68Å; F81-Y177 HydrophobicContact CD2-CD2 4.06Å; F81-Y177 VanDerWaalsContact CE1-CB 3.49Å; F81-Y177 HydrophobicContact CE1-CD2 4.3Å; F81-Y177 AromaticContact CE1-CG 3.95Å; F81-Y177 HydrophobicContact CE1-CG 3.95Å; F81-Y177 AromaticContact CG-CD2 3.52Å; F81-Y177 HydrophobicContact CG-CD2 3.52Å; F81-Y177 HydrophobicContact CG-CE2 4.18Å; F81-Y177 HydrophobicContact CG-CG 4.03Å; F81-Y177 HydrophobicContact CZ-CG 4.5Å; I84-Y177 HydrophobicContact CB-CE1 4.23Å; I84-Y177 HydrophobicContact CD1-CD1 4.42Å; I84-Y177 HydrophobicContact CD1-CE1 4Å; I84-Y177 HydrophobicContact CG2-CE1 3.8Å; I84-Y177 WeakPolarHBondContact CG2-OH 3.07Å; D85-Y177 WeakPolarHBondContact OD1-CE2 3.43Å; D85-Y177 PolarHBondContact OD1-OH 2.78Å; M99-Y177 HydrophobicContact CE-CE1 4.5Å; C173-Y177 PolarHBondContact O-N 3.25Å; L174-Y177 PolarHBondContact O-N 3.28Å; Y177-N179 PolarHBondContact O-N 3.27Å; Y177-D180 PolarHBondContact O-N 3.44Å; Y177-R181 HydrophobicContact CD2-CG 4.03Å; Y177-R181 HydrophobicContact CE1-CG 4.34Å; Y177-R181 HydrophobicContact CE2-CG 3.64Å; Y177-R181 WeakPolarHBondContact O-CG 3.34Å; Y177-R181 PolarHBondContact O-N 2.94Å; Y177-W188 AromaticContact CE1-CH2 3.73Å; Y177-W188 HydrophobicContact CE1-CH2 3.73Å; Y177-W188 HydrophobicContact CE1-CZ2 4.35Å
178I95.6Very high94.5Very high0 Ų048 Ų480%025%0.25CS..Hα-helixtrans-62.8-42.9178.1-66.7163.2000111.4M99 L174 Y176 R181 L182 V193 L195 F633M99-I178 HydrophobicContact SD-CD1 3.87Å; M99-I178 HydrophobicContact SD-CG1 4.03Å; L174-I178 WeakPolarHBondContact O-CD1 3.12Å; L174-I178 VanDerWaalsContact O-CG1 3.22Å; L174-I178 WeakPolarHBondContact O-CG1 3.32Å; L174-I178 PolarHBondContact O-N 3.01Å; Y176-I178 VanDerWaalsContact C-N 3.34Å; Y176-I178 PolarHBondContact O-N 3.2Å; I178-R181 PolarHBondContact O-N 3.39Å; I178-L182 HydrophobicContact CG2-CD1 3.75Å; I178-L182 HydrophobicContact CG2-CG 4.35Å; I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.44Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 2.83Å; I178-V193 HydrophobicContact CD1-CG1 3.95Å; I178-V193 HydrophobicContact CG1-CG1 4Å; I178-V193 HydrophobicContact CG2-CB 3.94Å; I178-V193 HydrophobicContact CG2-CG1 3.84Å; I178-V193 HydrophobicContact CG2-CG2 4.3Å; I178-L195 HydrophobicContact CD1-CB 4Å; I178-L195 HydrophobicContact CD1-CD2 4.27Å; I178-F633 HydrophobicContact CD1-CD2 4.25Å; I178-F633 HydrophobicContact CD1-CE2 4.13Å; I178-F633 HydrophobicContact CG2-CB 3.66Å; I178-F633 HydrophobicContact CG2-CD1 3.86Å; I178-F633 HydrophobicContact CG2-CD2 3.9Å; I178-F633 HydrophobicContact CG2-CG 3.54Å
179N93Very high94.2Very high52 Ų5251.3 Ų51.328%0.27826%0.26SS..Hα-helixtrans-68.3-38.2177.8-77.3-70.5000112.3R175 Y176 Y177 S183R175-N179 PolarHBondContact O-N 3.16Å; R175-N179 PolarHBondContact O-ND2 3.35Å; Y176-N179 PolarHBondContact O-N 3.31Å; Y176-N179 VanDerWaalsContact O-N 3.12Å; Y177-N179 PolarHBondContact O-N 3.27Å; N179-S183 WeakPolarHBondContact O-CB 3.11Å; N179-S183 PolarHBondContact O-N 3.34Å; N179-S183 PolarHBondContact O-OG 3.07Å
180D93.9Very high93.9Very high45 Ų4550.6 Ų50.624%0.24126%0.264CS..Hα-helixtrans-59.4-56.7171.8178.295.8000109.9Y176 Y177 L182 S183 S184Y176-D180 PolarHBondContact O-N 2.85Å; Y177-D180 PolarHBondContact O-N 3.44Å; D180-L182 VanDerWaalsContact C-N 3.33Å; D180-L182 PolarHBondContact O-N 3.32Å; D180-S183 CarbonylContact O-C 3.55Å; D180-S183 PolarHBondContact O-N 2.68Å; D180-S183 PolarHBondContact O-OG 3.34Å; D180-S184 WeakPolarHBondContact O-CB 3.48Å; D180-S184 PolarHBondContact O-N 3.08Å; D180-S184 PolarHBondContact O-OG 2.93Å; D180-S184 PolarHBondContact OD2-OG 2.95Å
181R94.4Very high93.8Very high52 Ų5250.8 Ų50.820%0.19627%0.265CS..Hα-helixtrans-62.8-36.2-176-63-59.8-177.4-92.6-0.2113.1D85 Y177 I178 S183 N185 W188D85-R181 IonicContact OD1-CZ 3.75Å; D85-R181 IonicContact OD1-NE 2.72Å; D85-R181 PolarHBondContact OD1-NE 3.13Å; D85-R181 IonicContact OD1-NH2 3.51Å; D85-R181 IonicContact OD2-CZ 2.96Å; D85-R181 VanDerWaalsContact OD2-CZ 3.32Å; D85-R181 IonicContact OD2-NE 2.73Å; D85-R181 PolarHBondContact OD2-NE 3.48Å; D85-R181 VanDerWaalsContact OD2-NE 3.13Å; D85-R181 IonicContact OD2-NH2 3.25Å; D85-R181 PolarHBondContact OD2-NH2 2.75Å; Y177-R181 HydrophobicContact CD2-CG 4.03Å; Y177-R181 HydrophobicContact CE1-CG 4.34Å; Y177-R181 HydrophobicContact CE2-CG 3.64Å; Y177-R181 WeakPolarHBondContact O-CG 3.34Å; Y177-R181 PolarHBondContact O-N 2.94Å; I178-R181 PolarHBondContact O-N 3.39Å; R181-S183 PolarHBondContact O-N 3.31Å; R181-N185 WeakPolarHBondContact O-CB 3.15Å; R181-N185 PolarHBondContact O-N 3.41Å; R181-W188 HydrophobicContact CB-CD2 3.52Å; R181-W188 HydrophobicContact CB-CE3 3.58Å; R181-W188 HydrophobicContact CB-CG 4.12Å; R181-W188 HydrophobicContact CB-CH2 3.93Å; R181-W188 HydrophobicContact CB-CZ2 3.87Å; R181-W188 HydrophobicContact CB-CZ3 3.79Å; R181-W188 HydrophobicContact CG-CH2 4.18Å; R181-W188 HydrophobicContact CG-CZ2 4.02Å; R181-W188 HydrophobicContact CG-CZ3 4.49Å
182L92.3Very high93.7Very high15 Ų1551.1 Ų51.18%0.07927%0.268CS..Hα-helixtrans-65.8-21173.3-76.5171.1000114.3I178 D180 W188 V193 F633I178-L182 HydrophobicContact CG2-CD1 3.75Å; I178-L182 HydrophobicContact CG2-CG 4.35Å; I178-L182 VanDerWaalsContact O-CB 3.31Å; I178-L182 WeakPolarHBondContact O-CB 3.44Å; I178-L182 VanDerWaalsContact O-CG 3.26Å; I178-L182 WeakPolarHBondContact O-CG 3.39Å; I178-L182 PolarHBondContact O-N 2.83Å; D180-L182 VanDerWaalsContact C-N 3.33Å; D180-L182 PolarHBondContact O-N 3.32Å; L182-W188 HydrophobicContact CD2-CB 4.22Å; L182-W188 HydrophobicContact CD2-CE3 4.39Å; L182-W188 WeakPolarHBondContact CD2-O 3.27Å; L182-W188 HydrophobicContact CG-CE3 4.27Å; L182-V193 HydrophobicContact CD2-CG2 4.27Å; L182-F633 HydrophobicContact CD1-CB 3.55Å
183S90.1Very high93.7Very high92 Ų9246.5 Ų46.564%0.64325%0.246SC*.Hα-helixtrans-103.1-28178.462.20000113.8N179 D180 R181N179-S183 WeakPolarHBondContact O-CB 3.11Å; N179-S183 PolarHBondContact O-N 3.34Å; N179-S183 PolarHBondContact O-OG 3.07Å; D180-S183 CarbonylContact O-C 3.55Å; D180-S183 PolarHBondContact O-N 2.68Å; D180-S183 PolarHBondContact O-OG 3.34Å; R181-S183 PolarHBondContact O-N 3.31Å
184S91.1Very high93.7Very high68 Ų6845.1 Ų45.148%0.47624%0.237SC..Hα-helixtrans-99.4-30.8-175.769.90000114.3D180D180-S184 WeakPolarHBondContact O-CB 3.48Å; D180-S184 PolarHBondContact O-N 3.08Å; D180-S184 PolarHBondContact O-OG 2.93Å; D180-S184 PolarHBondContact OD2-OG 2.95Å
185N91.5Very high93.7Very high41 Ų4145.1 Ų45.122%0.21924%0.237CC..  trans-107.4112.3-172.8-170.7-24000112.2R181 A187 W188R181-N185 WeakPolarHBondContact O-CB 3.15Å; R181-N185 PolarHBondContact O-N 3.41Å; N185-A187 PolarHBondContact O-N 3.43Å; N185-A187 VanDerWaalsContact O-N 3.09Å; N185-A187 WeakPolarHBondContact OD1-CB 3.45Å; N185-A187 PolarHBondContact OD1-N 3.23Å; N185-W188 HydrophobicContact CB-CG 4.25Å; N185-W188 PolarHBondContact O-N 2.81Å
186P92.4Very high93.8Very high98 Ų9840.7 Ų40.764%0.63622%0.22SC*.G310 helixtrans-56-29.6179.4-27.235.6000114.7W188 K189P186-W188 PolarHBondContact O-N 3.35Å; P186-K189 VanDerWaalsContact O-CB 3.29Å; P186-K189 WeakPolarHBondContact O-CB 3.37Å; P186-K189 PolarHBondContact O-N 3.44Å
187A93Very high93.9Very high14 Ų1433.5 Ų33.512%0.11619%0.192CC..G310 helixtrans-72.4-14.1-179.800000113.5C37 F88 N185C37-A187 HydrophobicContact CB-CB 3.63Å; F88-A187 HydrophobicContact CE1-CB 4.02Å; N185-A187 PolarHBondContact O-N 3.43Å; N185-A187 VanDerWaalsContact O-N 3.09Å; N185-A187 WeakPolarHBondContact OD1-CB 3.45Å; N185-A187 PolarHBondContact OD1-N 3.23Å
188W94Very high94Very high0 Ų033.8 Ų33.80%020%0.195CC..G310 helixtrans-90.3-13.4175.7-74.955.7000112.9F88 L97 Y177 R181 L182 N185 P186 D190 V191 V193F88-W188 AromaticContact CD1-NE1 3.52Å; F88-W188 AromaticContact CD2-CE2 3.65Å; F88-W188 AromaticContact CD2-CZ2 3.69Å; F88-W188 HydrophobicContact CD2-CZ2 3.69Å; F88-W188 AromaticContact CD2-NE1 3.57Å; F88-W188 AromaticContact CE1-CD1 3.54Å; F88-W188 AromaticContact CE1-NE1 3.38Å; F88-W188 AromaticContact CE2-CD1 3.82Å; F88-W188 HydrophobicContact CE2-CD2 4.05Å; F88-W188 AromaticContact CE2-CE2 3.56Å; F88-W188 HydrophobicContact CE2-CG 4.2Å; F88-W188 HydrophobicContact CE2-CZ2 4.02Å; F88-W188 AromaticContact CE2-NE1 3.41Å; F88-W188 HydrophobicContact CG-CZ2 4.17Å; F88-W188 AromaticContact CG-NE1 3.63Å; F88-W188 AromaticContact CZ-CD1 3.36Å; F88-W188 HydrophobicContact CZ-CD2 4.31Å; F88-W188 AromaticContact CZ-CE2 3.95Å; F88-W188 AromaticContact CZ-CG 3.98Å; F88-W188 HydrophobicContact CZ-CG 3.98Å; F88-W188 AromaticContact CZ-NE1 3.33Å; F88-W188 VanDerWaalsContact CZ-NE1 3.33Å; L97-W188 HydrophobicContact CD2-CH2 3.48Å; L97-W188 VanDerWaalsContact CD2-CH2 3.48Å; L97-W188 HydrophobicContact CD2-CZ2 4.06Å; L97-W188 HydrophobicContact CD2-CZ3 3.87Å; Y177-W188 AromaticContact CE1-CH2 3.73Å; Y177-W188 HydrophobicContact CE1-CH2 3.73Å; Y177-W188 HydrophobicContact CE1-CZ2 4.35Å; R181-W188 HydrophobicContact CB-CD2 3.52Å; R181-W188 HydrophobicContact CB-CE3 3.58Å; R181-W188 HydrophobicContact CB-CG 4.12Å; R181-W188 HydrophobicContact CB-CH2 3.93Å; R181-W188 HydrophobicContact CB-CZ2 3.87Å; R181-W188 HydrophobicContact CB-CZ3 3.79Å; R181-W188 HydrophobicContact CG-CH2 4.18Å; R181-W188 HydrophobicContact CG-CZ2 4.02Å; R181-W188 HydrophobicContact CG-CZ3 4.49Å; L182-W188 HydrophobicContact CD2-CB 4.22Å; L182-W188 HydrophobicContact CD2-CE3 4.39Å; L182-W188 WeakPolarHBondContact CD2-O 3.27Å; L182-W188 HydrophobicContact CG-CE3 4.27Å; N185-W188 HydrophobicContact CB-CG 4.25Å; N185-W188 PolarHBondContact O-N 2.81Å; P186-W188 PolarHBondContact O-N 3.35Å; W188-D190 VanDerWaalsContact C-N 3.31Å; W188-D190 PolarHBondContact O-N 2.82Å; W188-V191 PolarHBondContact O-N 3.16Å; W188-V191 VanDerWaalsContact O-N 3.08Å; W188-V193 HydrophobicContact CE3-CG2 3.85Å; W188-V193 HydrophobicContact CZ3-CG1 4.45Å; W188-V193 HydrophobicContact CZ3-CG2 3.82Å
189K90.1Very high94Very high104 Ų10435.6 Ų35.645%0.45221%0.207SC..THydrogen-bonded Turntrans-53.2-45.1-171.8-175.7-168.3171.3-164.60113.2P186 S635P186-K189 VanDerWaalsContact O-CB 3.29Å; P186-K189 WeakPolarHBondContact O-CB 3.37Å; P186-K189 PolarHBondContact O-N 3.44Å; K189-S635 WeakPolarHBondContact CG-OG 3.28Å; K189-S635 VanDerWaalsContact O-CB 3.28Å; K189-S635 WeakPolarHBondContact O-CB 3.43Å; K189-S635 PolarHBondContact O-OG 3.39Å
190D90.6Very high94.2Very high92 Ų9234 Ų3449%0.49220%0.2SC..THydrogen-bonded Turntrans-99.99.5-175.2-58.2-46000112.8W188W188-D190 VanDerWaalsContact C-N 3.31Å; W188-D190 PolarHBondContact O-N 2.82Å
191V94.1Very high94.4Very high3 Ų333.3 Ų33.32%0.01820%0.197CC..  trans-98.8124.4178.5-1780000109.8F88 P93 L97 W188 V193F88-V191 HydrophobicContact CZ-CG2 4.46Å; P93-V191 WeakPolarHBondContact O-CG2 3.41Å; L97-V191 HydrophobicContact CB-CG1 4.08Å; W188-V191 PolarHBondContact O-N 3.16Å; W188-V191 VanDerWaalsContact O-N 3.08Å; V191-V193 HydrophobicContact CG1-CG2 4.45Å
192A94.3Very high94.5Very high15 Ų1531.1 Ų31.112%0.12419%0.191CC..EExtended strand (participates in β ladder)trans-74.9134.1165.300000109.4R95 L96 L97 L632 V634R95-A192 PolarHBondContact O-N 3.25Å; L96-A192 CarbonylContact C-O 3.55Å; L96-A192 WeakPolarHBondContact CA-O 3.42Å; L96-A192 HydrophobicContact CD1-CB 4.3Å; L97-A192 PolarHBondContact N-O 3.01Å; A192-L632 HydrophobicContact CB-CD1 4.04Å; A192-V634 HydrophobicContact CB-CG1 4.35Å
193V96.3Very high94.6Very high0 Ų030.7 Ų30.70%019%0.189CC..EExtended strand (participates in β ladder)trans-115.8127.5178.3-171.30000109.3L97 M99 I178 L182 W188 V191 L632 F633L97-V193 HydrophobicContact CB-CG1 4.28Å; L97-V193 HydrophobicContact CB-CG2 4.32Å; L97-V193 HydrophobicContact CD2-CG1 4.11Å; L97-V193 HydrophobicContact CG-CG1 4.26Å; L97-V193 CarbonylContact O-C 3.59Å; L97-V193 VanDerWaalsContact O-CA 3.28Å; L97-V193 WeakPolarHBondContact O-CA 3.4Å; M99-V193 HydrophobicContact SD-CG1 4.18Å; I178-V193 HydrophobicContact CD1-CG1 3.95Å; I178-V193 HydrophobicContact CG1-CG1 4Å; I178-V193 HydrophobicContact CG2-CB 3.94Å; I178-V193 HydrophobicContact CG2-CG1 3.84Å; I178-V193 HydrophobicContact CG2-CG2 4.3Å; L182-V193 HydrophobicContact CD2-CG2 4.27Å; W188-V193 HydrophobicContact CE3-CG2 3.85Å; W188-V193 HydrophobicContact CZ3-CG1 4.45Å; W188-V193 HydrophobicContact CZ3-CG2 3.82Å; V191-V193 HydrophobicContact CG1-CG2 4.45Å; V193-L632 CarbonylContact O-C 3.6Å; V193-L632 WeakPolarHBondContact O-CA 3.4Å; V193-F633 HydrophobicContact CB-CB 4.31Å; V193-F633 PolarHBondContact N-O 3.4Å; V193-F633 PolarHBondContact O-N 3.2Å
194I96.6Very high94.8Very high7 Ų726.3 Ų26.34%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-115.5123.7175.3-61176.3000108.7L96 L97 Y98 M99 F211 D630 V631 L632 M657L96-I194 HydrophobicContact CD1-CD1 3.86Å; L96-I194 HydrophobicContact CD1-CG1 4Å; L97-I194 PolarHBondContact O-N 3.35Å; Y98-I194 CarbonylContact C-O 3.5Å; Y98-I194 HydrophobicContact CD2-CB 3.7Å; Y98-I194 HydrophobicContact CD2-CD1 4.06Å; Y98-I194 HydrophobicContact CD2-CG1 4.43Å; Y98-I194 HydrophobicContact CD2-CG2 3.75Å; Y98-I194 HydrophobicContact CE2-CB 4.04Å; Y98-I194 HydrophobicContact CE2-CD1 4.33Å; Y98-I194 HydrophobicContact CE2-CG2 3.52Å; Y98-I194 HydrophobicContact CG-CB 4.4Å; M99-I194 PolarHBondContact N-O 2.96Å; I194-F211 HydrophobicContact CD1-CE2 3.66Å; I194-F211 HydrophobicContact CD1-CZ 4.06Å; I194-D630 HydrophobicContact CG2-CB 4.15Å; I194-V631 CarbonylContact C-O 3.55Å; I194-V631 WeakPolarHBondContact CA-O 3.23Å; I194-L632 HydrophobicContact CG1-CD1 3.87Å; I194-M657 HydrophobicContact CD1-CE 4.26Å; I194-M657 HydrophobicContact CD1-CG 4.43Å; I194-M657 HydrophobicContact CD1-SD 4.17Å
195L97.6Very high94.9Very high0 Ų023.4 Ų23.40%014%0.137CC..EExtended strand (participates in β ladder)trans-102.3116.8170.6-17963.2000109.4M99 I101 L174 R175 I178 D197 V631 F633M99-L195 HydrophobicContact CB-CD1 3.97Å; I101-L195 HydrophobicContact CD1-CD1 4.39Å; L174-L195 HydrophobicContact CB-CD1 4.38Å; L174-L195 HydrophobicContact CB-CD2 4.2Å; L174-L195 HydrophobicContact CD1-CD1 4.29Å; R175-L195 HydrophobicContact CG-CD2 3.68Å; I178-L195 HydrophobicContact CD1-CB 4Å; I178-L195 HydrophobicContact CD1-CD2 4.27Å; L195-D197 HydrophobicContact CG-CB 4.35Å; L195-V631 PolarHBondContact N-O 3.06Å; L195-V631 PolarHBondContact O-N 2.84Å; L195-F633 HydrophobicContact CB-CE2 3.93Å
196S97.8Very high95.1Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-106.687.7168.8-1690000109.2Y98 M99 I101 K207 D630Y98-S196 WeakPolarHBondContact OH-CB 3.35Å; M99-S196 PolarHBondContact O-N 3.02Å; I101-S196 PolarHBondContact N-O 2.96Å; S196-K207 PolarHBondContact O-NZ 3.34Å; S196-K207 WeakPolarHBondContact OG-CD 3.33Å; S196-K207 PolarHBondContact OG-NZ 3.31Å; S196-K207 VanDerWaalsContact OG-NZ 3.16Å; S196-D630 WeakPolarHBondContact CA-OD1 3.48Å; S196-D630 WeakPolarHBondContact CB-OD1 3.42Å; S196-D630 PolarHBondContact OG-OD1 3.13Å
197D97.3Very high95.3Very high5 Ų518 Ų183%0.02710%0.102CC..  trans-75.9178.8-175.872.645.3000113.4I101 A171 R175 L195 S199 V200 K207I101-D197 HydrophobicContact CD1-CB 4.08Å; A171-D197 HydrophobicContact CB-CB 3.84Å; R175-D197 IonicContact CZ-OD2 2.72Å; R175-D197 IonicContact NE-OD2 3.83Å; R175-D197 IonicContact NH2-OD2 3.9Å; R175-D197 PolarHBondContact NH2-OD2 3.49Å; L195-D197 HydrophobicContact CG-CB 4.35Å; D197-S199 PolarHBondContact O-N 3.36Å; D197-S199 VanDerWaalsContact O-N 3.13Å; D197-S199 VanDerWaalsContact OD1-CB 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.25Å; D197-S199 PolarHBondContact OD1-N 2.81Å; D197-S199 PolarHBondContact OD1-OG 3.46Å; D197-V200 PolarHBondContact O-N 3.43Å; D197-V200 VanDerWaalsContact O-N 3.12Å; D197-K207 PolarHBondContact O-NZ 2.81Å
198A97.8Very high95.5Very high7 Ų717.4 Ų17.46%0.05810%0.096CC..THydrogen-bonded Turntrans-66.8-11.3-174.100000114.6I101 D102 G103 P162 M167I101-A198 HydrophobicContact CG2-CB 4.03Å; D102-A198 WeakPolarHBondContact O-CA 3.35Å; D102-A198 WeakPolarHBondContact O-CB 3.48Å; G103-A198 WeakPolarHBondContact CA-O 3.39Å; P162-A198 HydrophobicContact CB-CB 4.35Å; P162-A198 HydrophobicContact CG-CB 4.39Å; M167-A198 HydrophobicContact CB-CB 4.15Å; M167-A198 HydrophobicContact CE-CB 3.94Å
199S96.8Very high95.6Very high37 Ų3717.7 Ų17.726%0.25910%0.098SC..THydrogen-bonded Turntrans-78-20.3173.669.50000113D197 P201 E627 G628D197-S199 PolarHBondContact O-N 3.36Å; D197-S199 VanDerWaalsContact O-N 3.13Å; D197-S199 VanDerWaalsContact OD1-CB 3.28Å; D197-S199 WeakPolarHBondContact OD1-CB 3.25Å; D197-S199 PolarHBondContact OD1-N 2.81Å; D197-S199 PolarHBondContact OD1-OG 3.46Å; S199-P201 WeakPolarHBondContact O-CD 3.47Å; S199-E627 WeakPolarHBondContact O-CA 3.37Å; S199-G628 PolarHBondContact O-N 3.23Å; S199-G628 WeakPolarHBondContact OG-CA 3.18Å
200V97Very high95.8Very high20 Ų2014.4 Ų14.412%0.1219%0.085CC..SBendtrans-83.2122.9173-179.50000108.7G103 D197 K207G103-V200 VanDerWaalsContact CA-O 3.31Å; G103-V200 WeakPolarHBondContact CA-O 3.45Å; D197-V200 PolarHBondContact O-N 3.43Å; D197-V200 VanDerWaalsContact O-N 3.12Å; V200-K207 HydrophobicContact CG1-CD 4.39Å; V200-K207 WeakPolarHBondContact O-CE 3.25Å; V200-K207 PolarHBondContact O-NZ 3.21Å
201P97.1Very high96Very high30 Ų3010.5 Ų10.520%0.1956%0.064CC..  trans-62.5154.5-179.7-25.836.3000114.8S199 K207 W508 P539 E627S199-P201 WeakPolarHBondContact O-CD 3.47Å; P201-K207 WeakPolarHBondContact O-CE 3.27Å; P201-W508 HydrophobicContact CB-CH2 3.99Å; P201-W508 HydrophobicContact CB-CZ3 4.4Å; P201-P539 HydrophobicContact CB-CB 3.78Å; P201-P539 HydrophobicContact CB-CG 3.49Å; P201-P539 VanDerWaalsContact CB-CG 3.49Å; P201-P539 HydrophobicContact CG-CB 3.92Å; P201-P539 HydrophobicContact CG-CG 3.71Å; P201-E627 HydrophobicContact CG-CG 3.98Å
202G95.9Very high96.1Very high6 Ų610.4 Ų10.46%0.0626%0.063CC..SBendtrans107.4154.117900000113.7G103 V104 K207G103-G202 WeakPolarHBondContact CA-O 3.44Å; G103-G202 PolarHBondContact N-O 2.67Å; V104-G202 WeakPolarHBondContact O-CA 3.36Å; V104-G202 PolarHBondContact O-N 2.82Å; G202-K207 WeakPolarHBondContact O-CE 3.29Å
203E95Very high96.1Very high6 Ų610.8 Ų10.83%0.0286%0.061CC..  trans-73.6142.1173.3-50.6-173-124.700110.1D102 A105 K109 E205 H206 K207D102-E203 WeakPolarHBondContact OD1-CA 3.32Å; A105-E203 HydrophobicContact CB-CG 3.73Å; K109-E203 WeakPolarHBondContact CB-OE1 2.98Å; K109-E203 VanDerWaalsContact CD-OE1 3.26Å; K109-E203 WeakPolarHBondContact CD-OE1 3.4Å; K109-E203 WeakPolarHBondContact CD-OE2 3.43Å; K109-E203 WeakPolarHBondContact CE-OE2 3.5Å; K109-E203 VanDerWaalsContact CG-CD 3.46Å; K109-E203 VanDerWaalsContact CG-OE1 3.26Å; K109-E203 WeakPolarHBondContact CG-OE1 3.31Å; K109-E203 VanDerWaalsContact CG-OE2 3.25Å; K109-E203 WeakPolarHBondContact CG-OE2 3.41Å; K109-E203 IonicContact NZ-OE1 2.63Å; K109-E203 IonicContact NZ-OE2 2.86Å; K109-E203 PolarHBondContact NZ-OE2 3.26Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 3.31Å; E203-H206 HydrophobicContact CB-CB 4.43Å; E203-H206 CarbonylContact O-C 3.41Å; E203-H206 WeakPolarHBondContact O-CA 3.28Å; E203-H206 PolarHBondContact O-N 3.27Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.37Å
204G94.9Very high96Very high0 Ų012.9 Ų12.90%07%0.069CC..Hα-helixtrans-54.6-46.3-171.400000112.9A100 D102 H206 K207 I208A100-G204 WeakPolarHBondContact CB-O 3.47Å; D102-G204 PolarHBondContact OD1-N 2.81Å; G204-H206 VanDerWaalsContact C-N 3.29Å; G204-H206 PolarHBondContact O-N 3.33Å; G204-K207 PolarHBondContact O-N 2.8Å; G204-I208 WeakPolarHBondContact O-CD1 3.47Å; G204-I208 WeakPolarHBondContact O-CG1 3.47Å; G204-I208 PolarHBondContact O-N 3.33Å; G204-I208 VanDerWaalsContact O-N 3.08Å
205E93.8Very high95.9Very high7 Ų714.9 Ų14.93%0.0338%0.079CC..Hα-helixtrans-57.2-39.9173.966.7-179.5165.600112.4K109 E203 M209 L236 L239K109-E205 IonicContact NZ-OE1 3.15Å; K109-E205 PolarHBondContact NZ-OE1 3.24Å; E203-E205 VanDerWaalsContact C-N 3.34Å; E203-E205 PolarHBondContact O-N 3.31Å; E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.31Å; E205-M209 PolarHBondContact O-N 3.39Å; E205-M209 VanDerWaalsContact O-N 3.1Å; E205-L236 HydrophobicContact CB-CD2 3.63Å; E205-L236 WeakPolarHBondContact OE2-CD2 3.41Å; E205-L239 HydrophobicContact CB-CD1 4.02Å; E205-L239 HydrophobicContact CG-CD1 3.88Å; E205-L239 VanDerWaalsContact OE2-CD1 3.27Å; E205-L239 WeakPolarHBondContact OE2-CD1 3.3Å
206H94.9Very high95.7Very high12 Ų1215.6 Ų15.66%0.0568%0.081CC..Hα-helixtrans-80.6-28.3-179.4-85-84.2000113.8E203 G204 M209 D210 Y500 Y501E203-H206 HydrophobicContact CB-CB 4.43Å; E203-H206 CarbonylContact O-C 3.41Å; E203-H206 WeakPolarHBondContact O-CA 3.28Å; E203-H206 PolarHBondContact O-N 3.27Å; G204-H206 VanDerWaalsContact C-N 3.29Å; G204-H206 PolarHBondContact O-N 3.33Å; H206-M209 PolarHBondContact O-N 3.3Å; H206-D210 WeakPolarHBondContact O-CB 3.41Å; H206-D210 PolarHBondContact O-N 2.93Å; H206-Y500 HydrophobicContact CB-CE1 4.49Å; H206-Y500 HydrophobicContact CB-CE2 3.87Å; H206-Y500 WeakPolarHBondContact CB-OH 3.27Å; H206-Y500 AromaticContact CD2-CE1 3.43Å; H206-Y500 VanDerWaalsContact CD2-CE1 3.43Å; H206-Y500 WeakPolarHBondContact CD2-CE1 3.28Å; H206-Y500 AromaticContact CD2-CZ 3.52Å; H206-Y500 AromaticContact CE1-CD1 3.4Å; H206-Y500 VanDerWaalsContact CE1-CD1 3.4Å; H206-Y500 WeakPolarHBondContact CE1-CD1 3.4Å; H206-Y500 AromaticContact CE1-CD2 3.88Å; H206-Y500 AromaticContact CE1-CE1 3.54Å; H206-Y500 AromaticContact CE1-CG 3.59Å; H206-Y500 AromaticContact CE1-CZ 3.84Å; H206-Y500 AromaticContact CG-CE1 3.66Å; H206-Y500 AromaticContact CG-CE2 3.59Å; H206-Y500 AromaticContact CG-CZ 3.28Å; H206-Y500 AromaticContact ND1-CD1 3.86Å; H206-Y500 AromaticContact ND1-CD2 3.58Å; H206-Y500 AromaticContact ND1-CE1 3.72Å; H206-Y500 AromaticContact ND1-CE2 3.43Å; H206-Y500 WeakPolarHBondContact ND1-CE2 3.46Å; H206-Y500 AromaticContact ND1-CG 3.8Å; H206-Y500 AromaticContact ND1-CZ 3.51Å; H206-Y500 PolarHBondContact ND1-O 3.36Å; H206-Y500 AromaticContact NE2-CD1 3.55Å; H206-Y500 AromaticContact NE2-CE1 3.36Å; H206-Y500 WeakPolarHBondContact NE2-CE1 3.42Å; H206-Y500 AromaticContact NE2-CZ 3.87Å; H206-Y501 AromaticContact CE1-CD2 3.65Å; H206-Y501 AromaticContact CE1-CE2 3.83Å; H206-Y501 AromaticContact NE2-CE2 3.8Å
207K96.3Very high95.5Very high14 Ų1416.4 Ų16.46%0.0619%0.088CC..Hα-helixtrans-62.1-46.3168.2-62-169.6-168.1172.60110.5I101 S196 D197 V200 P201 G202 E203 G204 M209 D210 F211I101-K207 WeakPolarHBondContact O-CE 3.47Å; I101-K207 PolarHBondContact O-NZ 2.87Å; S196-K207 PolarHBondContact O-NZ 3.34Å; S196-K207 WeakPolarHBondContact OG-CD 3.33Å; S196-K207 PolarHBondContact OG-NZ 3.31Å; S196-K207 VanDerWaalsContact OG-NZ 3.16Å; D197-K207 PolarHBondContact O-NZ 2.81Å; V200-K207 HydrophobicContact CG1-CD 4.39Å; V200-K207 WeakPolarHBondContact O-CE 3.25Å; V200-K207 PolarHBondContact O-NZ 3.21Å; P201-K207 WeakPolarHBondContact O-CE 3.27Å; G202-K207 WeakPolarHBondContact O-CE 3.29Å; E203-K207 WeakPolarHBondContact O-CG 3.49Å; E203-K207 PolarHBondContact O-N 3.37Å; G204-K207 PolarHBondContact O-N 2.8Å; K207-M209 VanDerWaalsContact C-N 3.35Å; K207-M209 PolarHBondContact O-N 2.98Å; K207-D210 PolarHBondContact O-N 2.8Å; K207-F211 PolarHBondContact O-N 2.88Å
208I96.9Very high95.2Very high0 Ų017.8 Ų17.80%010%0.098CC..Hα-helixtrans-57.6-47.1174.7-68.5160.8000110.8Y51 Y98 A100 G204 D210 F211 I212 I229Y51-I208 HydrophobicContact CD1-CG1 4.42Å; Y51-I208 HydrophobicContact CD1-CG2 3.57Å; Y51-I208 HydrophobicContact CD2-CG2 4.34Å; Y51-I208 HydrophobicContact CE1-CG2 4.35Å; Y51-I208 HydrophobicContact CG-CG2 3.59Å; Y98-I208 HydrophobicContact CD1-CG1 3.77Å; Y98-I208 HydrophobicContact CE1-CG1 3.97Å; A100-I208 HydrophobicContact CB-CD1 3.68Å; A100-I208 HydrophobicContact CB-CG1 3.68Å; G204-I208 WeakPolarHBondContact O-CD1 3.47Å; G204-I208 WeakPolarHBondContact O-CG1 3.47Å; G204-I208 PolarHBondContact O-N 3.33Å; G204-I208 VanDerWaalsContact O-N 3.08Å; I208-D210 PolarHBondContact O-N 3.44Å; I208-F211 PolarHBondContact O-N 2.87Å; I208-I212 HydrophobicContact CG2-CD1 3.7Å; I208-I212 HydrophobicContact CG2-CG1 4.47Å; I208-I212 VanDerWaalsContact O-CG1 3.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.33Å; I208-I212 PolarHBondContact O-N 3.01Å; I208-I229 HydrophobicContact CB-CD1 4.43Å; I208-I229 HydrophobicContact CD1-CD1 3.95Å; I208-I229 HydrophobicContact CD1-CG1 4.36Å; I208-I229 HydrophobicContact CG2-CD1 3.87Å
209M95.4Very high94.8Very high6 Ų624.1 Ų24.13%0.0314%0.138CC..Hα-helixtrans-67.8-31.9178.4-61.3-51145.900113.3E205 H206 K207 I212 R213 I229 L239 T243 F248E205-M209 VanDerWaalsContact O-CG 3.31Å; E205-M209 WeakPolarHBondContact O-CG 3.31Å; E205-M209 PolarHBondContact O-N 3.39Å; E205-M209 VanDerWaalsContact O-N 3.1Å; H206-M209 PolarHBondContact O-N 3.3Å; K207-M209 VanDerWaalsContact C-N 3.35Å; K207-M209 PolarHBondContact O-N 2.98Å; M209-I212 HydrophobicContact SD-CD1 4.33Å; M209-R213 WeakPolarHBondContact O-CB 3.24Å; M209-R213 PolarHBondContact O-N 3.48Å; M209-R213 PolarHBondContact O-NH1 3.17Å; M209-I229 HydrophobicContact CE-CD1 3.56Å; M209-L239 HydrophobicContact CE-CB 3.76Å; M209-L239 HydrophobicContact CG-CB 3.91Å; M209-L239 HydrophobicContact CG-CD1 4.43Å; M209-L239 HydrophobicContact CG-CD2 4.06Å; M209-L239 HydrophobicContact CG-CG 4.36Å; M209-L239 HydrophobicContact SD-CB 3.97Å; M209-T243 HydrophobicContact SD-CG2 3.6Å; M209-T243 VanDerWaalsContact SD-CG2 3.6Å; M209-F248 HydrophobicContact CE-CZ 4.27Å
210D94.9Very high94.5Very high35 Ų3527.4 Ų27.419%0.18716%0.162CC..Hα-helixtrans-68.8-43.6173-166.257.7000111.8H206 K207 I208 R213 R214H206-D210 WeakPolarHBondContact O-CB 3.41Å; H206-D210 PolarHBondContact O-N 2.93Å; K207-D210 PolarHBondContact O-N 2.8Å; I208-D210 PolarHBondContact O-N 3.44Å; D210-R213 VanDerWaalsContact CA-NH2 3.35Å; D210-R213 PolarHBondContact O-N 3.26Å; D210-R213 IonicContact OD1-CZ 2.69Å; D210-R213 IonicContact OD1-NE 3.85Å; D210-R213 IonicContact OD1-NH2 3.64Å; D210-R213 PolarHBondContact OD1-NH2 2.95Å; D210-R214 VanDerWaalsContact CG-NE 3.35Å; D210-R214 WeakPolarHBondContact O-CB 3.46Å; D210-R214 VanDerWaalsContact O-CG 3.31Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.44Å; D210-R214 IonicContact OD1-NE 3.58Å; D210-R214 PolarHBondContact OD1-NE 2.93Å; D210-R214 IonicContact OD1-NH2 2.74Å; D210-R214 IonicContact OD2-CZ 3.81Å; D210-R214 IonicContact OD2-NE 3.61Å; D210-R214 PolarHBondContact OD2-NE 2.87Å; D210-R214 IonicContact OD2-NH2 2.92Å; D210-R214 PolarHBondContact OD2-NH2 3.24Å; D210-R214 VanDerWaalsContact OD2-NH2 3.13Å
211F95.6Very high94.3Very high10 Ų1028 Ų284%0.04416%0.162CC..Hα-helixtrans-55-56.7172176.4-90.2000110.8Y51 L96 Y98 I194 K207 I208 R213 R214 Q215 M657 N659Y51-F211 AromaticContact CE1-CD1 3.88Å; Y51-F211 HydrophobicContact CE1-CD1 3.88Å; Y51-F211 HydrophobicContact CE1-CE1 4.03Å; L96-F211 HydrophobicContact CD2-CE1 3.45Å; L96-F211 VanDerWaalsContact CD2-CE1 3.45Å; L96-F211 HydrophobicContact CD2-CZ 3.61Å; Y98-F211 HydrophobicContact CD2-CD1 4.23Å; Y98-F211 AromaticContact CD2-CD2 3.96Å; Y98-F211 HydrophobicContact CD2-CD2 3.96Å; Y98-F211 HydrophobicContact CD2-CE1 4.44Å; Y98-F211 HydrophobicContact CD2-CE2 4.16Å; Y98-F211 AromaticContact CD2-CG 4Å; Y98-F211 HydrophobicContact CD2-CG 4Å; Y98-F211 HydrophobicContact CD2-CZ 4.41Å; Y98-F211 HydrophobicContact CE2-CB 4.04Å; Y98-F211 HydrophobicContact CE2-CD1 4.44Å; Y98-F211 AromaticContact CE2-CD2 3.55Å; Y98-F211 HydrophobicContact CE2-CD2 3.55Å; Y98-F211 HydrophobicContact CE2-CE2 4.1Å; Y98-F211 AromaticContact CE2-CG 3.75Å; Y98-F211 HydrophobicContact CE2-CG 3.75Å; I194-F211 HydrophobicContact CD1-CE2 3.66Å; I194-F211 HydrophobicContact CD1-CZ 4.06Å; K207-F211 PolarHBondContact O-N 2.88Å; I208-F211 PolarHBondContact O-N 2.87Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 3.18Å; F211-R214 PolarHBondContact O-N 3.48Å; F211-Q215 HydrophobicContact CD1-CG 4.02Å; F211-Q215 HydrophobicContact CD2-CG 4.43Å; F211-Q215 HydrophobicContact CE1-CG 3.62Å; F211-Q215 HydrophobicContact CE2-CG 4.08Å; F211-Q215 HydrophobicContact CG-CG 4.4Å; F211-Q215 HydrophobicContact CZ-CG 3.66Å; F211-Q215 WeakPolarHBondContact O-CG 3.35Å; F211-Q215 PolarHBondContact O-N 3.17Å; F211-M657 HydrophobicContact CD2-CE 4.29Å; F211-M657 HydrophobicContact CE2-CE 3.82Å; F211-N659 WeakPolarHBondContact CD2-OD1 3.19Å
212I96.1Very high94.2Very high1 Ų129.8 Ų29.81%0.00517%0.17CC..Hα-helixtrans-57.3-46.6-179.5-66.5164.9000110.9Y51 I208 M209 R214 Q215 R216 T243 E245 F248Y51-I212 HydrophobicContact CD1-CD1 4.44Å; Y51-I212 HydrophobicContact CD2-CD1 4.29Å; Y51-I212 HydrophobicContact CE1-CD1 4.06Å; Y51-I212 HydrophobicContact CE1-CG1 3.83Å; Y51-I212 HydrophobicContact CE2-CD1 3.91Å; Y51-I212 HydrophobicContact CE2-CG1 4.31Å; I208-I212 HydrophobicContact CG2-CD1 3.7Å; I208-I212 HydrophobicContact CG2-CG1 4.47Å; I208-I212 VanDerWaalsContact O-CG1 3.3Å; I208-I212 WeakPolarHBondContact O-CG1 3.33Å; I208-I212 PolarHBondContact O-N 3.01Å; M209-I212 HydrophobicContact SD-CD1 4.33Å; I212-R214 VanDerWaalsContact C-N 3.33Å; I212-R214 PolarHBondContact O-N 3.14Å; I212-Q215 PolarHBondContact O-N 3.03Å; I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 2.89Å; I212-R216 VanDerWaalsContact O-CG 3.3Å; I212-R216 WeakPolarHBondContact O-CG 3.42Å; I212-R216 PolarHBondContact O-N 3.26Å; I212-T243 HydrophobicContact CG2-CG2 4.15Å; I212-E245 HydrophobicContact CG2-CG 4.47Å; I212-F248 HydrophobicContact CD1-CE2 4.06Å; I212-F248 HydrophobicContact CD1-CZ 4.49Å
213R94.9Very high94.2Very high24 Ų2430.3 Ų30.39%0.09117%0.172CC..Hα-helixtrans-61.2-38.6179.9175171.561.1-108-1.1112.8M209 D210 F211 A217 Y502 F668M209-R213 WeakPolarHBondContact O-CB 3.24Å; M209-R213 PolarHBondContact O-N 3.48Å; M209-R213 PolarHBondContact O-NH1 3.17Å; D210-R213 VanDerWaalsContact CA-NH2 3.35Å; D210-R213 PolarHBondContact O-N 3.26Å; D210-R213 IonicContact OD1-CZ 2.69Å; D210-R213 IonicContact OD1-NE 3.85Å; D210-R213 IonicContact OD1-NH2 3.64Å; D210-R213 PolarHBondContact OD1-NH2 2.95Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 3.18Å; R213-A217 PolarHBondContact O-N 3.1Å; R213-Y502 WeakPolarHBondContact CD-O 3.46Å; R213-F668 VanDerWaalsContact CD-CG 3.47Å; R213-F668 HydrophobicContact CG-CB 3.63Å; R213-F668 HydrophobicContact CG-CD1 3.38Å; R213-F668 HydrophobicContact CG-CD2 3.79Å; R213-F668 HydrophobicContact CG-CE1 3.92Å; R213-F668 HydrophobicContact CG-CE2 4.27Å; R213-F668 HydrophobicContact CG-CG 3.31Å; R213-F668 HydrophobicContact CG-CZ 4.34Å; R213-F668 WeakPolarHBondContact O-CD1 3.5Å
214R93.9Very high94.3Very high44 Ų4431.6 Ų31.617%0.16618%0.179CC..Hα-helixtrans-72.7-42.7175.2-70.6174.3-170.6-105.46.3112.1D210 F211 I212 R216 A217 P660 Y662 F668D210-R214 VanDerWaalsContact CG-NE 3.35Å; D210-R214 WeakPolarHBondContact O-CB 3.46Å; D210-R214 VanDerWaalsContact O-CG 3.31Å; D210-R214 WeakPolarHBondContact O-CG 3.36Å; D210-R214 PolarHBondContact O-N 3.44Å; D210-R214 IonicContact OD1-NE 3.58Å; D210-R214 PolarHBondContact OD1-NE 2.93Å; D210-R214 IonicContact OD1-NH2 2.74Å; D210-R214 IonicContact OD2-CZ 3.81Å; D210-R214 IonicContact OD2-NE 3.61Å; D210-R214 PolarHBondContact OD2-NE 2.87Å; D210-R214 IonicContact OD2-NH2 2.92Å; D210-R214 PolarHBondContact OD2-NH2 3.24Å; D210-R214 VanDerWaalsContact OD2-NH2 3.13Å; F211-R214 PolarHBondContact O-N 3.48Å; I212-R214 VanDerWaalsContact C-N 3.33Å; I212-R214 PolarHBondContact O-N 3.14Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 2.98Å; R214-A217 PolarHBondContact O-N 2.91Å; R214-A217 VanDerWaalsContact O-N 3.15Å; R214-P660 WeakPolarHBondContact CD-O 2.99Å; R214-P660 PolarHBondContact NH1-O 2.95Å; R214-Y662 HydrophobicContact CB-CE2 4.19Å; R214-Y662 HydrophobicContact CG-CE2 4.25Å; R214-Y662 PolarHBondContact O-OH 2.92Å; R214-F668 HydrophobicContact CG-CE1 4.22Å; R214-F668 HydrophobicContact CG-CZ 4.06Å
215Q93.4Very high94.3Very high49 Ų4932.1 Ų32.123%0.22918%0.182CC..Hα-helixtrans-59.2-46175.2-63.2-49.8-40.600111.1F211 I212 A217 S218 Y221F211-Q215 HydrophobicContact CD1-CG 4.02Å; F211-Q215 HydrophobicContact CD2-CG 4.43Å; F211-Q215 HydrophobicContact CE1-CG 3.62Å; F211-Q215 HydrophobicContact CE2-CG 4.08Å; F211-Q215 HydrophobicContact CG-CG 4.4Å; F211-Q215 HydrophobicContact CZ-CG 3.66Å; F211-Q215 WeakPolarHBondContact O-CG 3.35Å; F211-Q215 PolarHBondContact O-N 3.17Å; I212-Q215 PolarHBondContact O-N 3.03Å; Q215-A217 PolarHBondContact O-N 3.28Å; Q215-A217 VanDerWaalsContact O-N 3.14Å; Q215-S218 VanDerWaalsContact O-CB 3.23Å; Q215-S218 WeakPolarHBondContact O-CB 3.3Å; Q215-S218 PolarHBondContact O-N 3.09Å; Q215-Y221 VanDerWaalsContact C-CD2 3.41Å; Q215-Y221 HydrophobicContact CB-CD2 3.82Å; Q215-Y221 HydrophobicContact CB-CE2 3.66Å; Q215-Y221 WeakPolarHBondContact O-CB 3.42Å; Q215-Y221 VanDerWaalsContact O-CD2 3.26Å; Q215-Y221 WeakPolarHBondContact O-CD2 3.42Å
216R94.5Very high94.5Very high14 Ų1434 Ų345%0.05319%0.191CC..Hα-helixtrans-57.1-25.2175.7-78.6176.266.582.4-10.5115.2I212 R214 S218 Y221 T243 H244 E245 K671 L673I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 2.89Å; I212-R216 VanDerWaalsContact O-CG 3.3Å; I212-R216 WeakPolarHBondContact O-CG 3.42Å; I212-R216 PolarHBondContact O-N 3.26Å; R214-R216 VanDerWaalsContact C-N 3.34Å; R214-R216 PolarHBondContact O-N 2.98Å; R216-S218 VanDerWaalsContact C-N 3.33Å; R216-Y221 HydrophobicContact CB-CE1 4.34Å; R216-Y221 HydrophobicContact CG-CD1 4.18Å; R216-Y221 HydrophobicContact CG-CE1 3.55Å; R216-Y221 HydrophobicContact CG-CE2 4.38Å; R216-T243 PolarHBondContact NE-O 3.25Å; R216-T243 PolarHBondContact NH2-O 2.98Å; R216-H244 PolarHBondContact NH1-O 3.3Å; R216-H244 PolarHBondContact NH2-O 2.7Å; R216-H244 VanDerWaalsContact NH2-O 3.1Å; R216-E245 WeakPolarHBondContact CD-OE1 3.37Å; R216-E245 WeakPolarHBondContact CG-OE1 3.42Å; R216-E245 IonicContact CZ-OE1 3.14Å; R216-E245 IonicContact NE-OE1 2.68Å; R216-E245 IonicContact NH1-OE1 3.81Å; R216-E245 PolarHBondContact NH1-OE1 2.79Å; R216-E245 IonicContact NH1-OE2 2.8Å; R216-E245 PolarHBondContact NH1-OE2 3.47Å; R216-E245 VanDerWaalsContact NH1-OE2 3.13Å; R216-K671 PolarHBondContact NH2-O 3.25Å; R216-L673 HydrophobicContact CB-CD1 4.12Å; R216-L673 HydrophobicContact CG-CD1 4.2Å
217A92.8Very high94.7Very high18 Ų1833.4 Ų33.415%0.14919%0.188CC..THydrogen-bonded Turntrans-88.91.3177.600000112.9R213 R214 Q215 Y662 F666 F668R213-A217 PolarHBondContact O-N 3.1Å; R214-A217 PolarHBondContact O-N 2.91Å; R214-A217 VanDerWaalsContact O-N 3.15Å; Q215-A217 PolarHBondContact O-N 3.28Å; Q215-A217 VanDerWaalsContact O-N 3.14Å; A217-Y662 HydrophobicContact CB-CE1 3.67Å; A217-Y662 HydrophobicContact CB-CE2 4.08Å; A217-Y662 VanDerWaalsContact CB-CZ 3.45Å; A217-Y662 WeakPolarHBondContact CB-OH 3.45Å; A217-Y662 PolarHBondContact O-OH 2.93Å; A217-Y662 VanDerWaalsContact O-OH 3.1Å; A217-F666 HydrophobicContact CB-CE1 3.9Å; A217-F666 HydrophobicContact CB-CZ 4.08Å; A217-F668 HydrophobicContact CB-CD1 3.86Å; A217-F668 HydrophobicContact CB-CE1 3.86Å
218S90.7Very high94.8Very high33 Ų3332.8 Ų32.823%0.23119%0.185CC..SBendtrans-79.4133.5169.5-175.10000110.7Q215 R216 S220 Y221 Y662Q215-S218 VanDerWaalsContact O-CB 3.23Å; Q215-S218 WeakPolarHBondContact O-CB 3.3Å; Q215-S218 PolarHBondContact O-N 3.09Å; R216-S218 VanDerWaalsContact C-N 3.33Å; S218-S220 PolarHBondContact O-N 2.9Å; S218-S220 VanDerWaalsContact O-N 3.15Å; S218-S220 PolarHBondContact OG-N 2.66Å; S218-S220 PolarHBondContact OG-OG 3.37Å; S218-Y221 VanDerWaalsContact O-CB 3.25Å; S218-Y221 WeakPolarHBondContact O-CB 3.27Å; S218-Y221 PolarHBondContact O-N 3.23Å; S218-Y221 VanDerWaalsContact O-N 3.14Å; S218-Y662 PolarHBondContact N-OH 3.28Å
219P89.2Confident94.8Very high140 Ų14032.8 Ų32.891%0.90919%0.185SC*.THydrogen-bonded Turntrans-61-20.5174.2-24.234.6000114.7
220S90.4Very high94.8Very high107 Ų10732.8 Ų32.875%0.74819%0.186SC*.THydrogen-bonded Turntrans-92.75.1178.858.60000114.3S218S218-S220 PolarHBondContact O-N 2.9Å; S218-S220 VanDerWaalsContact O-N 3.15Å; S218-S220 PolarHBondContact OG-N 2.66Å; S218-S220 PolarHBondContact OG-OG 3.37Å
221Y93.7Very high94.5Very high32 Ų3231.3 Ų31.313%0.12518%0.179CC..  trans-69.5134.7-179.8-172.1-103.8000111.9Q215 R216 S218 P223 L225 H227 E245 L673Q215-Y221 VanDerWaalsContact C-CD2 3.41Å; Q215-Y221 HydrophobicContact CB-CD2 3.82Å; Q215-Y221 HydrophobicContact CB-CE2 3.66Å; Q215-Y221 WeakPolarHBondContact O-CB 3.42Å; Q215-Y221 VanDerWaalsContact O-CD2 3.26Å; Q215-Y221 WeakPolarHBondContact O-CD2 3.42Å; R216-Y221 HydrophobicContact CB-CE1 4.34Å; R216-Y221 HydrophobicContact CG-CD1 4.18Å; R216-Y221 HydrophobicContact CG-CE1 3.55Å; R216-Y221 HydrophobicContact CG-CE2 4.38Å; S218-Y221 VanDerWaalsContact O-CB 3.25Å; S218-Y221 WeakPolarHBondContact O-CB 3.27Å; S218-Y221 PolarHBondContact O-N 3.23Å; S218-Y221 VanDerWaalsContact O-N 3.14Å; Y221-P223 WeakPolarHBondContact O-CD 3.47Å; Y221-L225 HydrophobicContact CD2-CD1 4.41Å; Y221-L225 HydrophobicContact CE2-CD1 3.78Å; Y221-H227 PolarHBondContact OH-CE1 2.86Å; Y221-H227 PolarHBondContact OH-NE2 3.42Å; Y221-H227 VanDerWaalsContact OH-NE2 3.15Å; Y221-E245 WeakPolarHBondContact CE1-OE1 3.27Å; Y221-E245 PolarHBondContact OH-OE1 3.37Å; Y221-L673 HydrophobicContact CD1-CD1 3.67Å; Y221-L673 HydrophobicContact CE1-CD1 4.04Å
222D95.3Very high93.8Very high68 Ų6833 Ų3336%0.36419%0.194SC..  trans-83114.2170179.6-1.6000109.5N224 L225D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact O-N 3.11Å; D222-N224 WeakPolarHBondContact OD1-CB 3.49Å; D222-N224 PolarHBondContact OD1-N 3.2Å; D222-N224 PolarHBondContact OD1-ND2 3.23Å; D222-L225 HydrophobicContact CB-CD1 4.39Å; D222-L225 HydrophobicContact CB-CD2 4.26Å; D222-L225 HydrophobicContact CB-CG 3.98Å; D222-L225 WeakPolarHBondContact O-CG 3.47Å
223P95.5Very high92.9Very high17 Ų1735 Ų3511%0.1121%0.206CC..THydrogen-bonded Turntrans-77.49.9-177.136.1-39.3000113.8Y221 L673 G675 A676Y221-P223 WeakPolarHBondContact O-CD 3.47Å; P223-L673 HydrophobicContact CB-CB 3.75Å; P223-L673 HydrophobicContact CB-CD1 4.21Å; P223-G675 VanDerWaalsContact CG-C 3.5Å; P223-A676 HydrophobicContact CB-CB 4.05Å
224N96.3Very high92Very high33 Ų3334.1 Ų34.118%0.17620%0.203CC..THydrogen-bonded Turntrans-1151.3-178.8-58.8-84000114.2D222 N247 G675 K677D222-N224 PolarHBondContact O-N 3.46Å; D222-N224 VanDerWaalsContact O-N 3.11Å; D222-N224 WeakPolarHBondContact OD1-CB 3.49Å; D222-N224 PolarHBondContact OD1-N 3.2Å; D222-N224 PolarHBondContact OD1-ND2 3.23Å; N224-N247 PolarHBondContact O-ND2 2.98Å; N224-G675 PolarHBondContact ND2-O 3.37Å; N224-K677 WeakPolarHBondContact OD1-CB 3.47Å; N224-K677 WeakPolarHBondContact OD1-CG 3.39Å; N224-K677 PolarHBondContact OD1-N 2.8Å
225L96.6Very high91.4Very high11 Ų1133.2 Ų33.26%0.05820%0.202CC..  trans-52.8140.8-177.8-67.6168.4000112.4D48 Y221 D222 H227 N247D48-L225 HydrophobicContact CB-CB 4.36Å; D48-L225 HydrophobicContact CB-CD2 3.86Å; D48-L225 WeakPolarHBondContact OD2-CA 3.47Å; Y221-L225 HydrophobicContact CD2-CD1 4.41Å; Y221-L225 HydrophobicContact CE2-CD1 3.78Å; D222-L225 HydrophobicContact CB-CD1 4.39Å; D222-L225 HydrophobicContact CB-CD2 4.26Å; D222-L225 HydrophobicContact CB-CG 3.98Å; D222-L225 WeakPolarHBondContact O-CG 3.47Å; L225-H227 PolarHBondContact O-CD2 3.1Å; L225-N247 VanDerWaalsContact O-CB 3.25Å; L225-N247 WeakPolarHBondContact O-CB 3.11Å
226Q97.2Very high91.2Very high46 Ų4630.9 Ų30.922%0.21519%0.191CC..  trans-88.7107.2177.3-65.7-70.4-21.600110.1E46 F47 D48 N49 N247E46-Q226 WeakPolarHBondContact O-CB 2.93Å; E46-Q226 WeakPolarHBondContact O-CG 3.34Å; F47-Q226 HydrophobicContact CD1-CB 4.21Å; D48-Q226 PolarHBondContact N-O 3.43Å; D48-Q226 PolarHBondContact OD2-N 2.87Å; N49-Q226 PolarHBondContact N-O 3.37Å; N49-Q226 VanDerWaalsContact N-O 3.11Å; Q226-N247 PolarHBondContact NE2-ND2 3.3Å; Q226-N247 PolarHBondContact NE2-OD1 2.61Å
227H98.2Very high90.9Very high0 Ų030.3 Ų30.30%019%0.189CC..EExtended strand (participates in β ladder)trans-98.1131.8-177.7-59.2-91.8000111.8Y51 Y221 L225 E245 N247 F248 T249Y51-H227 HydrophobicContact CE2-CB 4Å; Y51-H227 AromaticContact CE2-ND1 3.46Å; Y51-H227 WeakPolarHBondContact CE2-ND1 3.39Å; Y51-H227 AromaticContact CZ-ND1 3.63Å; Y51-H227 PolarHBondContact OH-CE1 3.17Å; Y51-H227 PolarHBondContact OH-ND1 2.85Å; Y221-H227 PolarHBondContact OH-CE1 2.86Å; Y221-H227 PolarHBondContact OH-NE2 3.42Å; Y221-H227 VanDerWaalsContact OH-NE2 3.15Å; L225-H227 PolarHBondContact O-CD2 3.1Å; H227-E245 VanDerWaalsContact NE2-CD 3.26Å; H227-E245 IonicContact NE2-OE1 2.81Å; H227-E245 IonicContact NE2-OE2 2.68Å; H227-N247 PolarHBondContact N-O 2.89Å; H227-F248 HydrophobicContact CB-CD2 3.56Å; H227-F248 HydrophobicContact CB-CE2 3.81Å; H227-F248 HydrophobicContact CB-CG 4.23Å; H227-T249 PolarHBondContact O-N 2.69Å
228V98Very high90.6Very high0 Ų029.7 Ų29.70%018%0.183CC..EExtended strand (participates in β ladder)trans-122.6129.4167.4-173.30000110F47 N49 F50 Y51 I91 T249 I251F47-V228 HydrophobicContact CB-CG2 3.95Å; F47-V228 HydrophobicContact CD1-CG2 3.08Å; F47-V228 HydrophobicContact CD2-CG2 4.06Å; F47-V228 HydrophobicContact CE1-CG2 3.36Å; F47-V228 HydrophobicContact CE2-CG2 4.29Å; F47-V228 HydrophobicContact CG-CG2 3.44Å; F47-V228 VanDerWaalsContact CG-CG2 3.44Å; F47-V228 HydrophobicContact CZ-CG2 3.95Å; N49-V228 PolarHBondContact O-N 2.8Å; F50-V228 CarbonylContact C-O 3.59Å; F50-V228 WeakPolarHBondContact CA-O 3.47Å; F50-V228 HydrophobicContact CD2-CB 3.92Å; F50-V228 HydrophobicContact CD2-CG1 3.96Å; F50-V228 WeakPolarHBondContact CD2-O 3.26Å; F50-V228 HydrophobicContact CE2-CB 4.48Å; F50-V228 HydrophobicContact CE2-CG1 4.01Å; Y51-V228 VanDerWaalsContact CD2-O 3.28Å; Y51-V228 WeakPolarHBondContact CD2-O 3.28Å; Y51-V228 PolarHBondContact N-O 3.12Å; I91-V228 HydrophobicContact CD1-CG1 3.88Å; I91-V228 HydrophobicContact CG1-CG1 4.42Å; I91-V228 HydrophobicContact CG2-CB 4.28Å; I91-V228 HydrophobicContact CG2-CG2 4.12Å; V228-T249 CarbonylContact C-O 3.59Å; V228-T249 VanDerWaalsContact CA-O 3.29Å; V228-T249 WeakPolarHBondContact CA-O 3.21Å; V228-I251 HydrophobicContact CG1-CB 4.19Å; V228-I251 HydrophobicContact CG1-CG2 3.79Å
229I97.6Very high90.6Very high0 Ų028.2 Ų28.20%017%0.172CC..EExtended strand (participates in β ladder)trans-112.3131.7167.8-170.5165.8000110.8Y51 I208 M209 L236 F248 T249 I250 I251Y51-I229 CarbonylContact O-C 3.59Å; Y51-I229 WeakPolarHBondContact O-CA 3.34Å; I208-I229 HydrophobicContact CB-CD1 4.43Å; I208-I229 HydrophobicContact CD1-CD1 3.95Å; I208-I229 HydrophobicContact CD1-CG1 4.36Å; I208-I229 HydrophobicContact CG2-CD1 3.87Å; M209-I229 HydrophobicContact CE-CD1 3.56Å; I229-L236 HydrophobicContact CD1-CD2 3.96Å; I229-F248 HydrophobicContact CB-CE1 4.34Å; I229-F248 HydrophobicContact CB-CZ 4.34Å; I229-F248 HydrophobicContact CG2-CE1 3.56Å; I229-F248 HydrophobicContact CG2-CZ 3.99Å; I229-T249 PolarHBondContact N-O 2.69Å; I229-I250 HydrophobicContact CG2-CB 4.22Å; I229-I250 HydrophobicContact CG2-CG1 3.65Å; I229-I250 HydrophobicContact CG2-CG2 4.25Å; I229-I250 CarbonylContact O-C 3.54Å; I229-I250 VanDerWaalsContact O-CA 3.28Å; I229-I250 WeakPolarHBondContact O-CA 3.28Å; I229-I251 PolarHBondContact O-N 2.66Å
230C96.1Very high90.8Very high6 Ų621.6 Ų21.64%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-90.2128.1170-177.60000110F50 Y51 L52 D53 L87 I251F50-C230 HydrophobicContact CE2-CB 3.81Å; F50-C230 HydrophobicContact CZ-CB 4.06Å; Y51-C230 PolarHBondContact O-N 3.26Å; L52-C230 HydrophobicContact CD2-CB 3.5Å; D53-C230 WeakPolarHBondContact CB-O 3.46Å; D53-C230 PolarHBondContact N-O 3.22Å; L87-C230 HydrophobicContact CD1-CB 4.31Å; L87-C230 VanDerWaalsContact CD1-SG 3.6Å; C230-I251 WeakPolarHBondContact CA-O 3.42Å; C230-I251 HydrophobicContact CB-CG2 3.62Å
231G88.3Confident90.8Very high4 Ų416.7 Ų16.74%0.04110%0.095CC..  trans171156.1168.200000113.5L236 I251G231-L236 VanDerWaalsContact C-CD1 3.48Å; G231-L236 VanDerWaalsContact CA-CD1 3.49Å; G231-I251 PolarHBondContact N-O 2.6Å; G231-I251 VanDerWaalsContact N-O 3.09Å
232A80.7Confident90.7Very high45 Ų4515.5 Ų15.537%0.3729%0.092SC..  trans-86.1-19.2-176.400000113.4V3 R252V3-A232 WeakPolarHBondContact CG1-O 3.31Å; A232-R252 PolarHBondContact O-NH1 3.01Å; A232-R252 PolarHBondContact O-NH2 2.77Å
233D78.4Confident90.6Very high45 Ų4513 Ų1324%0.2418%0.079CC..  trans-72.7153.8-165.7-9116.4000114.3D235 L236D233-D235 VanDerWaalsContact C-N 3.33Å; D233-L236 HydrophobicContact CB-CG 4.32Å
234A75Confident90.5Very high5 Ų512.3 Ų12.34%0.0417%0.074CC..SBendtrans-76-29.8-177.400000111.7V3 F6 L236 I237 F335V3-A234 HydrophobicContact CG2-CB 4.13Å; F6-A234 HydrophobicContact CB-CB 4.29Å; F6-A234 HydrophobicContact CD1-CB 3.85Å; F6-A234 HydrophobicContact CG-CB 4.48Å; A234-L236 VanDerWaalsContact C-N 3.28Å; A234-L236 PolarHBondContact O-N 3.16Å; A234-I237 PolarHBondContact O-N 3.18Å; A234-F335 HydrophobicContact CB-CE2 4.19Å; A234-F335 HydrophobicContact CB-CZ 3.9Å
235D80.9Confident90.4Very high25 Ų2510.8 Ų10.813%0.1347%0.066CC..Hα-helixtrans-64.6-33.7-177.8-61.745.2000110.2D233 I237 M238 L239 F335 Y501D233-D235 VanDerWaalsContact C-N 3.33Å; D235-I237 PolarHBondContact O-N 2.94Å; D235-I237 VanDerWaalsContact O-N 3.13Å; D235-M238 CarbonylContact O-C 3.37Å; D235-M238 WeakPolarHBondContact O-CA 3.3Å; D235-M238 WeakPolarHBondContact O-CB 3.35Å; D235-M238 PolarHBondContact O-N 2.67Å; D235-L239 WeakPolarHBondContact O-CG 3.38Å; D235-L239 PolarHBondContact O-N 3.46Å; D235-F335 HydrophobicContact CB-CE1 4.12Å; D235-F335 HydrophobicContact CB-CZ 4.43Å; D235-F335 VanDerWaalsContact CG-CE1 3.46Å; D235-F335 WeakPolarHBondContact OD1-CE1 3.37Å; D235-F335 VanDerWaalsContact OD1-CZ 3.32Å; D235-F335 WeakPolarHBondContact OD1-CZ 3.46Å; D235-Y501 PolarHBondContact OD2-OH 3.1Å
236L89.2Confident90.3Very high0 Ų010.3 Ų10.30%06%0.064CC..Hα-helixtrans-53-32.6173.3-59.5180000114.5E205 I229 G231 D233 A234 M238 L239 G240 I250E205-L236 HydrophobicContact CB-CD2 3.63Å; E205-L236 WeakPolarHBondContact OE2-CD2 3.41Å; I229-L236 HydrophobicContact CD1-CD2 3.96Å; G231-L236 VanDerWaalsContact C-CD1 3.48Å; G231-L236 VanDerWaalsContact CA-CD1 3.49Å; D233-L236 HydrophobicContact CB-CG 4.32Å; A234-L236 VanDerWaalsContact C-N 3.28Å; A234-L236 PolarHBondContact O-N 3.16Å; L236-M238 VanDerWaalsContact C-N 3.34Å; L236-L239 HydrophobicContact CD2-CD1 4.35Å; L236-G240 PolarHBondContact O-N 2.82Å; L236-I250 HydrophobicContact CB-CD1 4.19Å
237I89.1Confident90.2Very high1 Ų19 Ų91%0.0056%0.058CC..Hα-helixtrans-68.3-37.5176-61.3175.9000110.5F6 F7 L10 A234 D235 L241 I250 I300 L302 L305F6-I237 HydrophobicContact CD1-CD1 4.44Å; F6-I237 HydrophobicContact CE1-CB 4.25Å; F6-I237 HydrophobicContact CE1-CD1 3.97Å; F6-I237 HydrophobicContact CE1-CG2 4.34Å; F7-I237 HydrophobicContact CD2-CD1 4.45Å; L10-I237 HydrophobicContact CD2-CD1 3.71Å; L10-I237 HydrophobicContact CD2-CG2 4.03Å; A234-I237 PolarHBondContact O-N 3.18Å; D235-I237 PolarHBondContact O-N 2.94Å; D235-I237 VanDerWaalsContact O-N 3.13Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.19Å; I237-I250 HydrophobicContact CB-CD1 4.24Å; I237-I250 HydrophobicContact CG1-CD1 3.62Å; I237-I300 HydrophobicContact CD1-CD1 4.03Å; I237-I300 HydrophobicContact CG1-CD1 4.44Å; I237-L302 HydrophobicContact CG2-CD2 4.13Å; I237-L305 HydrophobicContact CG2-CD2 3.83Å
238M86.4Confident90.2Very high5 Ų59 Ų93%0.0256%0.058CC..Hα-helixtrans-78.3-40.8178.5-67.3-64.7155.800111.6F6 D235 L236 L241 A242 L331 T332 F335 Y501F6-M238 HydrophobicContact CE1-CE 4.16Å; F6-M238 HydrophobicContact CE2-CE 4.2Å; F6-M238 HydrophobicContact CZ-CE 3.47Å; F6-M238 VanDerWaalsContact CZ-CE 3.47Å; D235-M238 CarbonylContact O-C 3.37Å; D235-M238 WeakPolarHBondContact O-CA 3.3Å; D235-M238 WeakPolarHBondContact O-CB 3.35Å; D235-M238 PolarHBondContact O-N 2.67Å; L236-M238 VanDerWaalsContact C-N 3.34Å; M238-L241 PolarHBondContact O-N 3.45Å; M238-A242 VanDerWaalsContact O-CB 3.28Å; M238-A242 WeakPolarHBondContact O-CB 3.46Å; M238-A242 PolarHBondContact O-N 3.41Å; M238-L331 HydrophobicContact CE-CB 4.15Å; M238-L331 HydrophobicContact SD-CB 3.72Å; M238-T332 HydrophobicContact CB-CG2 4.33Å; M238-F335 HydrophobicContact CE-CB 4.3Å; M238-F335 HydrophobicContact CE-CD2 4.12Å; M238-F335 HydrophobicContact CE-CG 4.45Å; M238-F335 HydrophobicContact CG-CB 3.86Å; M238-F335 HydrophobicContact CG-CD1 3.94Å; M238-F335 HydrophobicContact CG-CD2 3.9Å; M238-F335 HydrophobicContact CG-CE1 4.42Å; M238-F335 HydrophobicContact CG-CE2 4.4Å; M238-F335 HydrophobicContact CG-CG 3.65Å; M238-F335 HydrophobicContact SD-CB 4.12Å; M238-F335 HydrophobicContact SD-CG 4.46Å; M238-Y501 HydrophobicContact CB-CE1 3.92Å
239L90.6Very high90.1Very high2 Ų29.2 Ų9.21%0.016%0.059CC..Hα-helixtrans-62-48.6174.1-68.6168.9000111E205 M209 D235 L236 L241 A242 T243 Y501E205-L239 HydrophobicContact CB-CD1 4.02Å; E205-L239 HydrophobicContact CG-CD1 3.88Å; E205-L239 VanDerWaalsContact OE2-CD1 3.27Å; E205-L239 WeakPolarHBondContact OE2-CD1 3.3Å; M209-L239 HydrophobicContact CE-CB 3.76Å; M209-L239 HydrophobicContact CG-CB 3.91Å; M209-L239 HydrophobicContact CG-CD1 4.43Å; M209-L239 HydrophobicContact CG-CD2 4.06Å; M209-L239 HydrophobicContact CG-CG 4.36Å; M209-L239 HydrophobicContact SD-CB 3.97Å; D235-L239 WeakPolarHBondContact O-CG 3.38Å; D235-L239 PolarHBondContact O-N 3.46Å; L236-L239 HydrophobicContact CD2-CD1 4.35Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.18Å; L239-A242 CarbonylContact O-C 3.47Å; L239-A242 WeakPolarHBondContact O-CA 3.33Å; L239-A242 WeakPolarHBondContact O-CB 3.35Å; L239-A242 PolarHBondContact O-N 2.99Å; L239-T243 WeakPolarHBondContact O-CG2 3.34Å; L239-T243 PolarHBondContact O-N 3.14Å; L239-T243 VanDerWaalsContact O-N 3.07Å; L239-Y501 HydrophobicContact CD2-CD1 3.45Å; L239-Y501 VanDerWaalsContact CD2-CD1 3.45Å; L239-Y501 HydrophobicContact CD2-CD2 3.91Å; L239-Y501 HydrophobicContact CD2-CE1 3.55Å; L239-Y501 HydrophobicContact CD2-CE2 3.97Å; L239-Y501 HydrophobicContact CD2-CG 3.64Å; L239-Y501 HydrophobicContact CG-CD1 4.1Å; L239-Y501 HydrophobicContact CG-CE1 3.77Å
240G93.1Very high90Very high1 Ų19.2 Ų9.21%0.016%0.06CC..Hα-helixtrans-59.7-39.4176.200000113.3L236 T243L236-G240 PolarHBondContact O-N 2.82Å; G240-T243 PolarHBondContact O-OG1 3.11Å
241L91.5Very high90Very high4 Ų49 Ų92%0.0216%0.058CC..Hα-helixtrans-67.1-36.8171.5-74.4173.6000112.7I237 M238 L239 T243 H244 L302 L305 R306 L309 L328 L331I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.44Å; I237-L241 PolarHBondContact O-N 3.19Å; M238-L241 PolarHBondContact O-N 3.45Å; L239-L241 VanDerWaalsContact C-N 3.34Å; L239-L241 PolarHBondContact O-N 3.18Å; L241-T243 VanDerWaalsContact C-N 3.27Å; L241-T243 PolarHBondContact O-N 3.03Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-L302 HydrophobicContact CD2-CB 4.36Å; L241-L302 HydrophobicContact CG-CD1 4.4Å; L241-L305 HydrophobicContact CD1-CD2 4Å; L241-R306 HydrophobicContact CD2-CG 3.7Å; L241-L309 HydrophobicContact CD1-CD1 4.06Å; L241-L328 HydrophobicContact CD1-CD2 4.46Å; L241-L328 HydrophobicContact CD2-CD2 4.18Å; L241-L331 HydrophobicContact CD1-CD1 4.26Å
242A91.5Very high90.2Very high8 Ų89.7 Ų9.77%0.0666%0.059CC..Hα-helixtrans-71.7-14.8179.500000114.2M238 L239 H244 T332 Y502M238-A242 VanDerWaalsContact O-CB 3.28Å; M238-A242 WeakPolarHBondContact O-CB 3.46Å; M238-A242 PolarHBondContact O-N 3.41Å; L239-A242 CarbonylContact O-C 3.47Å; L239-A242 WeakPolarHBondContact O-CA 3.33Å; L239-A242 WeakPolarHBondContact O-CB 3.35Å; L239-A242 PolarHBondContact O-N 2.99Å; A242-H244 PolarHBondContact O-CD2 2.64Å; A242-H244 PolarHBondContact O-N 3.11Å; A242-T332 HydrophobicContact CB-CG2 4.23Å; A242-Y502 HydrophobicContact CB-CD1 4.42Å; A242-Y502 HydrophobicContact CB-CE1 3.79Å; A242-Y502 HydrophobicContact CB-CE2 4.17Å
243T93Very high90.6Very high15 Ų1510.2 Ų10.29%0.0925%0.054CC..THydrogen-bonded Turntrans-64.2-28.117066.70000112.7M209 I212 R216 L239 G240 L241 E245 F248M209-T243 HydrophobicContact SD-CG2 3.6Å; M209-T243 VanDerWaalsContact SD-CG2 3.6Å; I212-T243 HydrophobicContact CG2-CG2 4.15Å; R216-T243 PolarHBondContact NE-O 3.25Å; R216-T243 PolarHBondContact NH2-O 2.98Å; L239-T243 WeakPolarHBondContact O-CG2 3.34Å; L239-T243 PolarHBondContact O-N 3.14Å; L239-T243 VanDerWaalsContact O-N 3.07Å; G240-T243 PolarHBondContact O-OG1 3.11Å; L241-T243 VanDerWaalsContact C-N 3.27Å; L241-T243 PolarHBondContact O-N 3.03Å; T243-E245 PolarHBondContact O-N 3.27Å; T243-E245 PolarHBondContact OG1-N 3.23Å; T243-E245 VanDerWaalsContact OG1-N 3.08Å; T243-F248 HydrophobicContact CG2-CD2 4.42Å; T243-F248 HydrophobicContact CG2-CE2 3.9Å; T243-F248 HydrophobicContact CG2-CZ 4.42Å
244H93.2Very high90.9Very high2 Ų211.8 Ų11.81%0.0096%0.06CC..THydrogen-bonded Turntrans56.628.6-166.5-53.8-94.2000114.4R216 L241 A242 E325 Y502 S670 K671R216-H244 PolarHBondContact NH1-O 3.3Å; R216-H244 PolarHBondContact NH2-O 2.7Å; R216-H244 VanDerWaalsContact NH2-O 3.1Å; L241-H244 PolarHBondContact O-N 2.93Å; A242-H244 PolarHBondContact O-CD2 2.64Å; A242-H244 PolarHBondContact O-N 3.11Å; H244-E325 PolarHBondContact CE1-O 3.39Å; H244-E325 IonicContact CE1-OE2 3.7Å; H244-E325 IonicContact CG-OE2 3.8Å; H244-E325 IonicContact ND1-OE2 3.41Å; H244-E325 PolarHBondContact ND1-OE2 3.27Å; H244-Y502 AromaticContact NE2-CE1 3.44Å; H244-Y502 WeakPolarHBondContact NE2-CE1 3.4Å; H244-S670 PolarHBondContact CE1-O 2.72Å; H244-S670 VanDerWaalsContact NE2-C 3.34Å; H244-S670 WeakPolarHBondContact NE2-CA 3.49Å; H244-S670 WeakPolarHBondContact NE2-CB 3.23Å; H244-S670 PolarHBondContact NE2-O 3.16Å; H244-K671 VanDerWaalsContact CB-O 3.3Å; H244-K671 WeakPolarHBondContact CB-O 3.37Å
245E94.6Very high91Very high1 Ų117.6 Ų17.61%0.0058%0.084CC..  trans-75.9134.5162.4-68.4-61.6162.100110.6I212 R216 Y221 H227 T243 N247 F248I212-E245 HydrophobicContact CG2-CG 4.47Å; R216-E245 WeakPolarHBondContact CD-OE1 3.37Å; R216-E245 WeakPolarHBondContact CG-OE1 3.42Å; R216-E245 IonicContact CZ-OE1 3.14Å; R216-E245 IonicContact NE-OE1 2.68Å; R216-E245 IonicContact NH1-OE1 3.81Å; R216-E245 PolarHBondContact NH1-OE1 2.79Å; R216-E245 IonicContact NH1-OE2 2.8Å; R216-E245 PolarHBondContact NH1-OE2 3.47Å; R216-E245 VanDerWaalsContact NH1-OE2 3.13Å; Y221-E245 WeakPolarHBondContact CE1-OE1 3.27Å; Y221-E245 PolarHBondContact OH-OE1 3.37Å; H227-E245 VanDerWaalsContact NE2-CD 3.26Å; H227-E245 IonicContact NE2-OE1 2.81Å; H227-E245 IonicContact NE2-OE2 2.68Å; T243-E245 PolarHBondContact O-N 3.27Å; T243-E245 PolarHBondContact OG1-N 3.23Å; T243-E245 VanDerWaalsContact OG1-N 3.08Å; E245-N247 VanDerWaalsContact C-N 3.33Å; E245-F248 HydrophobicContact CB-CB 4.34Å; E245-F248 HydrophobicContact CB-CD2 4Å; E245-F248 HydrophobicContact CG-CD2 4.31Å
246P93.9Very high90.6Very high2 Ų220 Ų201%0.01310%0.097CC..SBendtrans-70.9-33.4173.628.4-33000111.8M672 A676 P679P246-M672 HydrophobicContact CB-SD 4.32Å; P246-A676 HydrophobicContact CG-CB 4.35Å; P246-P679 HydrophobicContact CB-CG 4.29Å
247N95.7Very high89.7Confident17 Ų1723.3 Ų23.39%0.09112%0.118CC..SBendtrans-10968.7-167.2-74.6-33.5000110.8N224 L225 Q226 H227 E245N224-N247 PolarHBondContact O-ND2 2.98Å; L225-N247 VanDerWaalsContact O-CB 3.25Å; L225-N247 WeakPolarHBondContact O-CB 3.11Å; Q226-N247 PolarHBondContact NE2-ND2 3.3Å; Q226-N247 PolarHBondContact NE2-OD1 2.61Å; H227-N247 PolarHBondContact N-O 2.89Å; E245-N247 VanDerWaalsContact C-N 3.33Å
248F96.6Very high88.6Confident1 Ų129.3 Ų29.30%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-125128.8-175-152.3-79000112.2M209 I212 H227 I229 T243 E245 I250 L302M209-F248 HydrophobicContact CE-CZ 4.27Å; I212-F248 HydrophobicContact CD1-CE2 4.06Å; I212-F248 HydrophobicContact CD1-CZ 4.49Å; H227-F248 HydrophobicContact CB-CD2 3.56Å; H227-F248 HydrophobicContact CB-CE2 3.81Å; H227-F248 HydrophobicContact CB-CG 4.23Å; I229-F248 HydrophobicContact CB-CE1 4.34Å; I229-F248 HydrophobicContact CB-CZ 4.34Å; I229-F248 HydrophobicContact CG2-CE1 3.56Å; I229-F248 HydrophobicContact CG2-CZ 3.99Å; T243-F248 HydrophobicContact CG2-CD2 4.42Å; T243-F248 HydrophobicContact CG2-CE2 3.9Å; T243-F248 HydrophobicContact CG2-CZ 4.42Å; E245-F248 HydrophobicContact CB-CB 4.34Å; E245-F248 HydrophobicContact CB-CD2 4Å; E245-F248 HydrophobicContact CG-CD2 4.31Å; F248-I250 HydrophobicContact CE1-CG1 4.41Å; F248-L302 HydrophobicContact CB-CB 4.33Å; F248-L302 HydrophobicContact CB-CD1 4.25Å; F248-L302 HydrophobicContact CD1-CD1 3.52Å; F248-L302 HydrophobicContact CD1-CG 4.21Å; F248-L302 HydrophobicContact CE1-CD1 4.24Å; F248-L302 HydrophobicContact CG-CD1 4.19Å; F248-L302 VanDerWaalsContact O-CB 3.3Å; F248-L302 WeakPolarHBondContact O-CB 3.46Å; F248-L302 PolarHBondContact O-N 3.38Å
249T96.9Very high87.6Confident4 Ų431.4 Ų31.43%0.02516%0.158CC..EExtended strand (participates in β ladder)trans-130.4145.9-179.8-59.40000110.3H227 V228 I229 F299 I300H227-T249 PolarHBondContact O-N 2.69Å; V228-T249 CarbonylContact C-O 3.59Å; V228-T249 VanDerWaalsContact CA-O 3.29Å; V228-T249 WeakPolarHBondContact CA-O 3.21Å; I229-T249 PolarHBondContact N-O 2.69Å; T249-F299 HydrophobicContact CG2-CB 3.79Å; T249-F299 HydrophobicContact CG2-CD1 3.61Å; T249-F299 HydrophobicContact CG2-CE1 4.32Å; T249-F299 HydrophobicContact CG2-CG 3.8Å; T249-I300 WeakPolarHBondContact CA-O 3.39Å
250I96.2Very high86.2Confident1 Ų134.1 Ų34.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-112.9129.4172.9-56.8163.7000108.4I229 L236 I237 F248 F299 I300 L302I229-I250 HydrophobicContact CG2-CB 4.22Å; I229-I250 HydrophobicContact CG2-CG1 3.65Å; I229-I250 HydrophobicContact CG2-CG2 4.25Å; I229-I250 CarbonylContact O-C 3.54Å; I229-I250 VanDerWaalsContact O-CA 3.28Å; I229-I250 WeakPolarHBondContact O-CA 3.28Å; L236-I250 HydrophobicContact CB-CD1 4.19Å; I237-I250 HydrophobicContact CB-CD1 4.24Å; I237-I250 HydrophobicContact CG1-CD1 3.62Å; F248-I250 HydrophobicContact CE1-CG1 4.41Å; I250-F299 CarbonylContact O-C 3.57Å; I250-F299 VanDerWaalsContact O-CA 3.32Å; I250-F299 WeakPolarHBondContact O-CA 3.38Å; I250-I300 HydrophobicContact CB-CB 4.22Å; I250-I300 PolarHBondContact N-O 2.84Å; I250-I300 PolarHBondContact O-N 3.34Å; I250-L302 HydrophobicContact CD1-CD1 4.26Å; I250-L302 HydrophobicContact CD1-CD2 4.02Å; I250-L302 HydrophobicContact CD1-CG 4.39Å
251I95.7Very high84.8Confident0 Ų040.8 Ų40.80%020%0.2CC..EExtended strand (participates in β ladder)trans-100.9140.1168.8-173.4167.7000110.4F50 L87 I90 I91 V228 I229 C230 G231 F297 F299F50-I251 HydrophobicContact CE2-CG2 3.84Å; F50-I251 HydrophobicContact CZ-CG2 4.28Å; L87-I251 HydrophobicContact CD2-CD1 3.98Å; I90-I251 HydrophobicContact CG2-CD1 4.01Å; I91-I251 HydrophobicContact CD1-CB 4.43Å; I91-I251 HydrophobicContact CD1-CD1 3.69Å; I91-I251 HydrophobicContact CD1-CG2 4.33Å; I91-I251 HydrophobicContact CG1-CD1 4.38Å; V228-I251 HydrophobicContact CG1-CB 4.19Å; V228-I251 HydrophobicContact CG1-CG2 3.79Å; I229-I251 PolarHBondContact O-N 2.66Å; C230-I251 WeakPolarHBondContact CA-O 3.42Å; C230-I251 HydrophobicContact CB-CG2 3.62Å; G231-I251 PolarHBondContact N-O 2.6Å; G231-I251 VanDerWaalsContact N-O 3.09Å; I251-F297 HydrophobicContact CD1-CB 4.07Å; I251-F297 HydrophobicContact CD1-CD1 4.11Å; I251-F297 HydrophobicContact CD1-CG 4.18Å; I251-F297 HydrophobicContact CG1-CB 4.2Å; I251-F297 HydrophobicContact CG1-CD1 3.96Å; I251-F297 HydrophobicContact CG1-CG 4.38Å; I251-F299 HydrophobicContact CB-CD1 3.92Å; I251-F299 HydrophobicContact CB-CE1 3.9Å; I251-F299 HydrophobicContact CD1-CD1 4.47Å; I251-F299 HydrophobicContact CD1-CE1 3.9Å; I251-F299 HydrophobicContact CG1-CD1 4.23Å; I251-F299 HydrophobicContact CG1-CE1 4.11Å
252R92.5Very high83.5Confident20 Ų2042 Ų428%0.07521%0.209CC..EExtended strand (participates in β ladder)trans-156.5161.1177.764-179.6-61.613213.2111.1A232 F297 I298A232-R252 PolarHBondContact O-NH1 3.01Å; A232-R252 PolarHBondContact O-NH2 2.77Å; R252-F297 WeakPolarHBondContact O-CA 3.46Å; R252-I298 HydrophobicContact CG-CD1 3.99Å; R252-I298 HydrophobicContact CG-CG1 3.59Å; R252-I298 PolarHBondContact N-O 2.96Å; R252-I298 VanDerWaalsContact N-O 3.11Å; R252-I298 PolarHBondContact O-N 3.46Å
253E89.1Confident82.2Confident56 Ų5643.6 Ų43.626%0.26222%0.218SC..EExtended strand (participates in β ladder)trans-64.8145.1165.9-61.7-161.1148.400111.9Y83 F255 T295 T296 F297Y83-E253 WeakPolarHBondContact OH-CG 3.18Å; Y83-E253 PolarHBondContact OH-OE1 3.39Å; E253-F255 PolarHBondContact O-N 3.36Å; E253-T295 WeakPolarHBondContact OE1-CB 3.33Å; E253-T295 VanDerWaalsContact OE1-CG2 3.23Å; E253-T295 WeakPolarHBondContact OE1-CG2 3.47Å; E253-T295 PolarHBondContact OE1-OG1 3.46Å; E253-T295 WeakPolarHBondContact OE2-CG2 3.36Å; E253-T296 WeakPolarHBondContact CA-O 3.38Å; E253-F297 HydrophobicContact CG-CD1 4.35Å; E253-F297 HydrophobicContact CG-CE1 3.85Å; E253-F297 HydrophobicContact CG-CZ 4.39Å
254E85Confident81Confident78 Ų7847.6 Ų47.636%0.36424%0.236SC..  trans-73.6115.6172.9-166.6-177.117600110.9I256 T296 I298E254-I256 PolarHBondContact O-N 2.75Å; E254-T296 WeakPolarHBondContact CB-O 3.31Å; E254-T296 WeakPolarHBondContact CB-OG1 3.15Å; E254-T296 PolarHBondContact N-O 3.14Å; E254-T296 PolarHBondContact OE2-OG1 2.83Å; E254-I298 HydrophobicContact CB-CG2 4.09Å; E254-I298 HydrophobicContact CG-CG2 4.15Å
255F77.1Confident79.7Confident127 Ų12748.4 Ų48.456%0.55724%0.24SC*.  trans-73.997.6177.4179.8-101.4000111.7P4 E253 P257P4-F255 HydrophobicContact CB-CD1 4.33Å; P4-F255 HydrophobicContact CB-CE1 4.26Å; E253-F255 PolarHBondContact O-N 3.36Å; F255-P257 HydrophobicContact CE1-CB 3.91Å; F255-P257 HydrophobicContact CZ-CB 4.47Å; F255-P257 WeakPolarHBondContact O-CD 3.3Å
256I72.9Confident78.3Confident76 Ų7650.3 Ų50.339%0.3925%0.253SS..  trans-86.7111.9172.7-54.7-177000109.7E254 R259E254-I256 PolarHBondContact O-N 2.75Å; I256-R259 HydrophobicContact CB-CG 4.21Å; I256-R259 HydrophobicContact CG2-CG 4.23Å
257P68.5Low76.9Confident69 Ų6956.1 Ų56.145%0.44828%0.28SS..THydrogen-bonded Turntrans-76.6140.7-176.730.7-35.2000112.5F255F255-P257 HydrophobicContact CE1-CB 3.91Å; F255-P257 HydrophobicContact CZ-CB 4.47Å; F255-P257 WeakPolarHBondContact O-CD 3.3Å
258N66Low75Confident126 Ų12656.8 Ų56.867%0.67429%0.291SS*.THydrogen-bonded Turntrans6734.5-179.2-34.1-104.4000114.6R274N258-R274 PolarHBondContact OD1-NH2 3.46Å
259R65.3Low73.1Confident50 Ų5060 Ų6019%0.18930%0.303CS..PPolyproline II helixtrans-53.4139.5161.3-72.2-172.3-177.9176.15.2109.5N66 I256N66-R259 PolarHBondContact ND2-NH1 2.89Å; N66-R259 VanDerWaalsContact OD1-CD 3.24Å; N66-R259 WeakPolarHBondContact OD1-CD 3.18Å; I256-R259 HydrophobicContact CB-CG 4.21Å; I256-R259 HydrophobicContact CG2-CG 4.23Å
260P62.4Low70.9Confident58 Ų5862.6 Ų62.638%0.37733%0.331SS..PPolyproline II helixtrans-65.2139.417329.8-33.5000108.9Y269 M290P260-Y269 HydrophobicContact CB-CD1 4.28Å; P260-Y269 HydrophobicContact CG-CD1 4.34Å; P260-M290 HydrophobicContact CG-CE 3.87Å; P260-M290 HydrophobicContact CG-SD 3.64Å
261R63.4Low68.1Low141 Ų14172.5 Ų72.553%0.53237%0.374SS..PPolyproline II helixtrans-100.8143.7171.3-67.4-175.4176.5-162.6-4.2108.9E65E65-R261 IonicContact OE1-CZ 3.88Å; E65-R261 IonicContact OE1-NH1 2.67Å; E65-R261 IonicContact OE1-NH2 2.97Å; E65-R261 PolarHBondContact OE1-NH2 3.17Å; E65-R261 IonicContact OE2-CZ 2.86Å; E65-R261 IonicContact OE2-NE 2.68Å; E65-R261 IonicContact OE2-NH2 3.25Å; E65-R261 PolarHBondContact OE2-NH2 2.91Å
262P64.6Low65.4Low31 Ų3178.6 Ų78.620%0.20141%0.405CS..PPolyproline II helixtrans-62.1155.7172.327.4-34000110.6H267 Y269P262-H267 VanDerWaalsContact CB-O 3.26Å; P262-H267 WeakPolarHBondContact CB-O 3.43Å; P262-Y269 HydrophobicContact CB-CE1 4.21Å; P262-Y269 HydrophobicContact CB-CE2 4.3Å
263C64.5Low62.8Low40 Ų4084 Ų8427%0.2743%0.433SS..PPolyproline II helixtrans-65.2137.1170.6-178.50000110.8I265 C266 H267 G268C263-I265 PolarHBondContact O-N 3Å; C263-C266 WeakPolarHBondContact CB-SG 3.26Å; C263-H267 WeakPolarHBondContact O-CA 3.27Å; C263-H267 PolarHBondContact O-N 2.73Å; C263-G268 PolarHBondContact N-O 2.83Å
264E67.4Low60.2Low99 Ų9987.9 Ų87.946%0.46345%0.445SS..THydrogen-bonded Turntrans-75-11.2-178.6-53.6-165.7146.600113.9K127 I131K127-E264 VanDerWaalsContact CE-CD 3.4Å; K127-E264 VanDerWaalsContact CE-OE1 3.3Å; K127-E264 WeakPolarHBondContact CE-OE1 3.3Å; K127-E264 WeakPolarHBondContact CE-OE2 3.35Å; K127-E264 IonicContact NZ-OE1 2.58Å; K127-E264 PolarHBondContact NZ-OE1 2.77Å; K127-E264 IonicContact NZ-OE2 3.79Å; I131-E264 HydrophobicContact CD1-CB 4.29Å
265I66.6Low57.7Low20 Ų2093.3 Ų93.310%0.10346%0.462CS..THydrogen-bonded Turntrans-105.1-42.2179.3-61.4175.6000112R134 R135 M138 L145 P146 C263R134-I265 HydrophobicContact CB-CD1 3.99Å; R134-I265 HydrophobicContact CG-CD1 3.59Å; R135-I265 HydrophobicContact CG-CD1 4.21Å; R135-I265 HydrophobicContact CG-CG1 4.46Å; R135-I265 HydrophobicContact CG-CG2 4.33Å; M138-I265 HydrophobicContact SD-CD1 4.03Å; L145-I265 HydrophobicContact CD2-CG2 3.89Å; P146-I265 WeakPolarHBondContact CG-O 3.24Å; C263-I265 PolarHBondContact O-N 3Å
266C64.3Low55.7Low40 Ų4093.3 Ų93.327%0.2746%0.462SS..THydrogen-bonded Turntrans-116.11.4-174.867.50000114.7C263 G268C263-C266 WeakPolarHBondContact CB-SG 3.26Å; C266-G268 PolarHBondContact O-N 2.81Å
267H64Low53.9Low125 Ų12594.7 Ų94.758%0.57947%0.469SS*.  trans57.1-5.1-179-53.7-71000117P262 C263P262-H267 VanDerWaalsContact CB-O 3.26Å; P262-H267 WeakPolarHBondContact CB-O 3.43Å; C263-H267 WeakPolarHBondContact O-CA 3.27Å; C263-H267 PolarHBondContact O-N 2.73Å
268G55.7Low52.1Low31 Ų3193.8 Ų93.832%0.3247%0.473SS..  trans-67.4152.5177.200000114.2C263 C266C263-G268 PolarHBondContact N-O 2.83Å; C266-G268 PolarHBondContact O-N 2.81Å
269Y57.9Low50.5Low68 Ų6894.9 Ų94.927%0.26748%0.477SS..  trans-96.8118.5177-72.6-87.4000111.2N66 P260 P262 M290N66-Y269 PolarHBondContact O-OH 3.44Å; N66-Y269 VanDerWaalsContact O-OH 3.12Å; P260-Y269 HydrophobicContact CB-CD1 4.28Å; P260-Y269 HydrophobicContact CG-CD1 4.34Å; P262-Y269 HydrophobicContact CB-CE1 4.21Å; P262-Y269 HydrophobicContact CB-CE2 4.3Å; Y269-M290 HydrophobicContact CD1-CG 4.4Å; Y269-M290 HydrophobicContact CD1-SD 3.72Å; Y269-M290 HydrophobicContact CD2-CB 4.41Å; Y269-M290 HydrophobicContact CD2-CG 4.37Å; Y269-M290 HydrophobicContact CE1-SD 4.36Å; Y269-M290 HydrophobicContact CG-CG 4.04Å; Y269-M290 HydrophobicContact CG-SD 3.92Å
270G49Very low49.1Very low58 Ų5897.7 Ų97.760%0.59850%0.496SS*.  trans-123.8146.7-176.500000114.2I272G270-I272 PolarHBondContact O-N 2.87Å
271K38.8Very low48.3Very low210 Ų21096.9 Ų96.991%0.91349%0.491SS*.SBendtrans-69.7113.3178.9-79.3176.8179.8167.30111.7
272I39.2Very low47.3Very low128 Ų12893.7 Ų93.766%0.65649%0.491SS*.  trans74.381.2157.3-48.9167.9000115.2G270 R274G270-I272 PolarHBondContact O-N 2.87Å; I272-R274 HydrophobicContact CG2-CB 3.8Å; I272-R274 HydrophobicContact CG2-CG 4.23Å; I272-R274 PolarHBondContact O-N 2.8Å
273M37Very low46.4Very low133 Ų133101.3 Ų101.366%0.65552%0.517SS*.THydrogen-bonded Turntrans-58.312.7165.9-79.5-173.4177.300116.2R275M273-R275 PolarHBondContact O-N 3.29Å
274R34.8Very low45.6Very low137 Ų137102.3 Ų102.352%0.51752%0.523SS..THydrogen-bonded Turntrans-82.6-8.1-168.2-78.7-170.1169.9135.96.5116.4N258 I272 F702N258-R274 PolarHBondContact OD1-NH2 3.46Å; I272-R274 HydrophobicContact CG2-CB 3.8Å; I272-R274 HydrophobicContact CG2-CG 4.23Å; I272-R274 PolarHBondContact O-N 2.8Å; R274-F702 VanDerWaalsContact CD-CE1 3.48Å
275R33.3Very low44.3Very low192 Ų192105.3 Ų105.373%0.72554%0.542SS*.  trans-154.284.3172.1-69.7-173.1-179.5168-3.9110.5M273M273-R275 PolarHBondContact O-N 3.29Å
276F34.1Very low43.1Very low128 Ų128108.5 Ų108.556%0.56156%0.562SS**  trans-102.179.2160.9-97.6-90.4000109.7D280F276-D280 WeakPolarHBondContact CE1-O 3.23Å; F276-D280 VanDerWaalsContact CZ-O 3.24Å; F276-D280 WeakPolarHBondContact CZ-O 3.47Å
277I34.5Very low41.8Very low105 Ų105114.2 Ų114.254%0.53859%0.59SS.*  trans-106.3106.3150-62.5170.3000103.6L439I277-L439 HydrophobicContact CG2-CD2 4.35Å
278G32.5Very low40.6Very low50 Ų50116.2 Ų116.252%0.51559%0.594SS.*SBendtrans82.3129.2170.800000118.1
279L31.9Very low39.9Very low148 Ų148123.1 Ų123.178%0.77562%0.618SS**SBend85.4-2.9125.8-71.2157.4000124
280D35.5Very low39.1Very low109 Ų109123 Ų12358%0.58362%0.62SS**  trans-14091.1173.3-95.2-53000116.4F276 S282F276-D280 WeakPolarHBondContact CE1-O 3.23Å; F276-D280 VanDerWaalsContact CZ-O 3.24Å; F276-D280 WeakPolarHBondContact CZ-O 3.47Å; D280-S282 WeakPolarHBondContact OD1-CB 3.47Å; D280-S282 PolarHBondContact OD1-OG 3.41Å
281C45.1Very low38.7Very low41 Ų41125.1 Ų125.128%0.27762%0.623SS.*  trans-112.234.4154.8-179.70000109.8Y283 C284C281-Y283 PolarHBondContact O-N 2.93Å; C281-C284 VanDerWaalsContact CA-SG 3.52Å; C281-C284 HydrophobicContact CB-CB 4.49Å; C281-C284 WeakPolarHBondContact CB-SG 3.41Å; C281-C284 WeakPolarHBondContact O-CB 3.43Å; C281-C284 PolarHBondContact O-SG 3.28Å; C281-C284 WeakPolarHBondContact SG-CB 3.47Å; C281-C284 CovalentContact SG-SG 2.05Å; C281-C284 PolarHBondContact SG-SG 3.14Å
282S43.6Very low39.3Very low74 Ų74121.2 Ų121.252%0.51761%0.612SS.*THydrogen-bonded Turntrans-67.2-16.6176.4480000113.5D280D280-S282 WeakPolarHBondContact OD1-CB 3.47Å; D280-S282 PolarHBondContact OD1-OG 3.41Å
283Y43.9Very low39.8Very low191 Ų191121.6 Ų121.675%0.74961%0.613SS**THydrogen-bonded Turntrans-102.69.6-178.2-77-89.1000114.8C281 L285 V286C281-Y283 PolarHBondContact O-N 2.93Å; Y283-L285 PolarHBondContact O-N 3.44Å; Y283-V286 PolarHBondContact O-N 2.96Å
284C48Very low41.1Very low61 Ų61119.8 Ų119.841%0.41261%0.606SS.*THydrogen-bonded Turntrans-74.912.8-171.9-64.90000114.7C281C281-C284 VanDerWaalsContact CA-SG 3.52Å; C281-C284 HydrophobicContact CB-CB 4.49Å; C281-C284 WeakPolarHBondContact CB-SG 3.41Å; C281-C284 WeakPolarHBondContact O-CB 3.43Å; C281-C284 PolarHBondContact O-SG 3.28Å; C281-C284 WeakPolarHBondContact SG-CB 3.47Å; C281-C284 CovalentContact SG-SG 2.05Å; C281-C284 PolarHBondContact SG-SG 3.14Å
285L41.3Very low43.2Very low162 Ų162114.3 Ų114.385%0.84859%0.587SS**THydrogen-bonded Turntrans-105.8-4.6177.5-71.6170.2000114.3Y283 N287Y283-L285 PolarHBondContact O-N 3.44Å; L285-N287 PolarHBondContact O-N 2.87Å
286V40.6Very low45.8Very low88 Ų88108 Ų10853%0.53357%0.571SS.*  trans-81.5104.5175.4-162.90000108.8Y283 Y288Y283-V286 PolarHBondContact O-N 2.96Å; V286-Y288 HydrophobicContact CB-CD2 4.34Å; V286-Y288 HydrophobicContact CG1-CD2 3.57Å; V286-Y288 HydrophobicContact CG1-CE2 3.82Å; V286-Y288 PolarHBondContact O-N 3.13Å
287N37.8Very low48.6Very low160 Ų160102.2 Ų102.286%0.85655%0.545SS*.  trans-68.666174.8-112.8-9.1000111.3L285 Q289L285-N287 PolarHBondContact O-N 2.87Å; N287-Q289 PolarHBondContact O-N 3.22Å
288Y38Very low51.4Low167 Ų16797.4 Ų97.466%0.65552%0.52SS*.  trans-72.687.7161-94.9-77.4000108.1V286 M290V286-Y288 HydrophobicContact CB-CD2 4.34Å; V286-Y288 HydrophobicContact CG1-CD2 3.57Å; V286-Y288 HydrophobicContact CG1-CE2 3.82Å; V286-Y288 PolarHBondContact O-N 3.13Å; Y288-M290 PolarHBondContact O-N 2.86Å
289Q42Very low54.4Low176 Ų17695.4 Ų95.482%0.82250%0.498SS*.  trans-5598.8146.6-76.1-179.3-22.400106.3N287N287-Q289 PolarHBondContact O-N 3.22Å
290M40.6Very low57.4Low65 Ų6588.4 Ų88.432%0.3246%0.461SS..  trans-58.4132160.3-84.2-167.356.300106.2P260 Y269 Y288 L292 M293P260-M290 HydrophobicContact CG-CE 3.87Å; P260-M290 HydrophobicContact CG-SD 3.64Å; Y269-M290 HydrophobicContact CD1-CG 4.4Å; Y269-M290 HydrophobicContact CD1-SD 3.72Å; Y269-M290 HydrophobicContact CD2-CB 4.41Å; Y269-M290 HydrophobicContact CD2-CG 4.37Å; Y269-M290 HydrophobicContact CE1-SD 4.36Å; Y269-M290 HydrophobicContact CG-CG 4.04Å; Y269-M290 HydrophobicContact CG-SD 3.92Å; Y288-M290 PolarHBondContact O-N 2.86Å; M290-L292 PolarHBondContact O-N 2.92Å; M290-L292 VanDerWaalsContact O-N 3.08Å; M290-M293 HydrophobicContact CE-SD 4.48Å
291P41.2Very low60.2Low102 Ų10286.3 Ų86.366%0.66245%0.445SS*.  trans-54.3125.5168.324.3-32.3000106.6M293P291-M293 PolarHBondContact O-N 2.84Å
292L49.9Very low62.6Low128 Ų12884.4 Ų84.467%0.6743%0.432SS*.  trans-50.2107.7176.3-76.7159.7000106.8K67 M290 D294K67-L292 HydrophobicContact CB-CD2 4.12Å; M290-L292 PolarHBondContact O-N 2.92Å; M290-L292 VanDerWaalsContact O-N 3.08Å; L292-D294 VanDerWaalsContact C-N 3.29Å; L292-D294 PolarHBondContact O-N 3.4Å
293M50.8Low64.9Low136 Ų13681.5 Ų81.567%0.6741%0.411SS*.  trans-76.792-179.9-82.4-169154.400107M290 P291 T295M290-M293 HydrophobicContact CE-SD 4.48Å; P291-M293 PolarHBondContact O-N 2.84Å; M293-T295 PolarHBondContact O-N 3.03Å
294D64.8Low67.3Low96 Ų9672.5 Ų72.551%0.51338%0.376SS..  trans-38.6129.1175.9-80.8-4.6000110.5K25 L292 T296K25-D294 IonicContact NZ-OD2 2.84Å; K25-D294 PolarHBondContact NZ-OD2 3.28Å; L292-D294 VanDerWaalsContact C-N 3.29Å; L292-D294 PolarHBondContact O-N 3.4Å; D294-T296 PolarHBondContact O-N 3.04Å
295T77.9Confident69.4Low21 Ų2169.7 Ų69.713%0.12936%0.357CS..PPolyproline II helixtrans-68119.4174.848.10000109R86 E253 M293R86-T295 PolarHBondContact NH1-O 3.43Å; R86-T295 PolarHBondContact NH1-OG1 2.71Å; R86-T295 PolarHBondContact NH2-O 3.38Å; E253-T295 WeakPolarHBondContact OE1-CB 3.33Å; E253-T295 VanDerWaalsContact OE1-CG2 3.23Å; E253-T295 WeakPolarHBondContact OE1-CG2 3.47Å; E253-T295 PolarHBondContact OE1-OG1 3.46Å; E253-T295 WeakPolarHBondContact OE2-CG2 3.36Å; M293-T295 PolarHBondContact O-N 3.03Å
296T88Confident71.8Confident61 Ų6162.7 Ų62.737%0.37432%0.32SS..PPolyproline II helixtrans-78.5142.2173.443.10000110.1E253 E254 D294E253-T296 WeakPolarHBondContact CA-O 3.38Å; E254-T296 WeakPolarHBondContact CB-O 3.31Å; E254-T296 WeakPolarHBondContact CB-OG1 3.15Å; E254-T296 PolarHBondContact N-O 3.14Å; E254-T296 PolarHBondContact OE2-OG1 2.83Å; D294-T296 PolarHBondContact O-N 3.04Å
297F92.8Very high74.2Confident5 Ų559.8 Ų59.82%0.02230%0.3CS..EExtended strand (participates in β ladder)trans-97148.1172.4-71.4-79.3000111.4C21 Y83 R86 L87 I90 I251 R252 E253C21-F297 HydrophobicContact CB-CB 3.86Å; C21-F297 PolarHBondContact N-O 2.98Å; Y83-F297 HydrophobicContact CE1-CE1 4.42Å; Y83-F297 HydrophobicContact CE1-CZ 4.13Å; Y83-F297 HydrophobicContact CE2-CZ 4.45Å; Y83-F297 AromaticContact CZ-CZ 3.83Å; R86-F297 HydrophobicContact CG-CE2 4.43Å; L87-F297 HydrophobicContact CD2-CD1 4.11Å; L87-F297 HydrophobicContact CD2-CE1 3.59Å; L87-F297 HydrophobicContact CD2-CE2 4.38Å; L87-F297 HydrophobicContact CD2-CZ 3.74Å; L87-F297 HydrophobicContact CG-CZ 4.4Å; I90-F297 HydrophobicContact CD1-CD2 3.48Å; I90-F297 VanDerWaalsContact CD1-CD2 3.48Å; I90-F297 HydrophobicContact CD1-CE2 3.94Å; I90-F297 HydrophobicContact CD1-CG 4.19Å; I251-F297 HydrophobicContact CD1-CB 4.07Å; I251-F297 HydrophobicContact CD1-CD1 4.11Å; I251-F297 HydrophobicContact CD1-CG 4.18Å; I251-F297 HydrophobicContact CG1-CB 4.2Å; I251-F297 HydrophobicContact CG1-CD1 3.96Å; I251-F297 HydrophobicContact CG1-CG 4.38Å; R252-F297 WeakPolarHBondContact O-CA 3.46Å; E253-F297 HydrophobicContact CG-CD1 4.35Å; E253-F297 HydrophobicContact CG-CE1 3.85Å; E253-F297 HydrophobicContact CG-CZ 4.39Å
298I94.1Very high76.7Confident5 Ų552.5 Ų52.53%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-128.9143.5172.655.3168.4000110.6F7 V18 V19 R252 E254F7-I298 HydrophobicContact CE1-CD1 4.08Å; F7-I298 HydrophobicContact CZ-CD1 3.64Å; V18-I298 HydrophobicContact CG1-CB 4.16Å; V18-I298 HydrophobicContact CG1-CD1 4.01Å; V18-I298 HydrophobicContact CG1-CG2 4.3Å; V19-I298 CarbonylContact O-C 3.48Å; V19-I298 WeakPolarHBondContact O-CA 3.28Å; R252-I298 HydrophobicContact CG-CD1 3.99Å; R252-I298 HydrophobicContact CG-CG1 3.59Å; R252-I298 PolarHBondContact N-O 2.96Å; R252-I298 VanDerWaalsContact N-O 3.11Å; R252-I298 PolarHBondContact O-N 3.46Å; E254-I298 HydrophobicContact CB-CG2 4.09Å; E254-I298 HydrophobicContact CG-CG2 4.15Å
299F95.4Very high79.1Confident8 Ų844.8 Ų44.84%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-89.4141.7165-70-41.1000111.5V18 V19 H43 F47 I91 T249 I250 I251V18-F299 WeakPolarHBondContact CA-O 3.26Å; V19-F299 PolarHBondContact N-O 3.42Å; V19-F299 PolarHBondContact O-N 3.28Å; H43-F299 AromaticContact CD2-CE2 3.47Å; H43-F299 VanDerWaalsContact CD2-CE2 3.47Å; H43-F299 WeakPolarHBondContact CD2-CE2 3.41Å; H43-F299 AromaticContact CE1-CE2 3.76Å; H43-F299 AromaticContact CG-CE2 3.78Å; H43-F299 AromaticContact ND1-CE2 3.95Å; H43-F299 AromaticContact NE2-CE2 3.41Å; H43-F299 WeakPolarHBondContact NE2-CE2 3.3Å; F47-F299 HydrophobicContact CE2-CE2 4.24Å; F47-F299 AromaticContact CE2-CZ 3.84Å; F47-F299 HydrophobicContact CE2-CZ 3.84Å; F47-F299 HydrophobicContact CZ-CE1 4.41Å; F47-F299 HydrophobicContact CZ-CE2 4.07Å; F47-F299 AromaticContact CZ-CZ 3.86Å; F47-F299 HydrophobicContact CZ-CZ 3.86Å; I91-F299 HydrophobicContact CD1-CE1 3.5Å; I91-F299 HydrophobicContact CD1-CZ 3.72Å; T249-F299 HydrophobicContact CG2-CB 3.79Å; T249-F299 HydrophobicContact CG2-CD1 3.61Å; T249-F299 HydrophobicContact CG2-CE1 4.32Å; T249-F299 HydrophobicContact CG2-CG 3.8Å; I250-F299 CarbonylContact O-C 3.57Å; I250-F299 VanDerWaalsContact O-CA 3.32Å; I250-F299 WeakPolarHBondContact O-CA 3.38Å; I251-F299 HydrophobicContact CB-CD1 3.92Å; I251-F299 HydrophobicContact CB-CE1 3.9Å; I251-F299 HydrophobicContact CD1-CD1 4.47Å; I251-F299 HydrophobicContact CD1-CE1 3.9Å; I251-F299 HydrophobicContact CG1-CD1 4.23Å; I251-F299 HydrophobicContact CG1-CE1 4.11Å
300I94.5Very high81.4Confident0 Ų039.6 Ų39.60%021%0.205CC..EExtended strand (participates in β ladder)trans-112.2106.7163.6-49174.9000107F7 I17 I237 T249 I250 L302F7-I300 HydrophobicContact CD2-CD1 3.76Å; F7-I300 HydrophobicContact CE2-CD1 3.43Å; F7-I300 VanDerWaalsContact CE2-CD1 3.43Å; F7-I300 HydrophobicContact CE2-CG1 3.89Å; F7-I300 HydrophobicContact CZ-CD1 4.41Å; I17-I300 HydrophobicContact CD1-CG2 4.01Å; I17-I300 HydrophobicContact CG1-CG2 4.08Å; I17-I300 CarbonylContact O-C 3.59Å; I17-I300 WeakPolarHBondContact O-CA 3.35Å; I237-I300 HydrophobicContact CD1-CD1 4.03Å; I237-I300 HydrophobicContact CG1-CD1 4.44Å; T249-I300 WeakPolarHBondContact CA-O 3.39Å; I250-I300 HydrophobicContact CB-CB 4.22Å; I250-I300 PolarHBondContact N-O 2.84Å; I250-I300 PolarHBondContact O-N 3.34Å; I300-L302 HydrophobicContact CG2-CD2 4.22Å; I300-L302 PolarHBondContact O-N 2.85Å
301R94.3Very high83.6Confident65 Ų6541 Ų4125%0.24521%0.207CC..EExtended strand (participates in β ladder)trans-84106.9-178.3-67.4-179.861.9-177.2-3.2110.3I17 S303 I304 L305I17-R301 PolarHBondContact O-N 3.2Å; R301-S303 VanDerWaalsContact C-N 3.28Å; R301-S303 PolarHBondContact O-N 2.85Å; R301-I304 HydrophobicContact CB-CB 4.39Å; R301-I304 HydrophobicContact CB-CD1 4.1Å; R301-I304 HydrophobicContact CB-CG1 4.09Å; R301-I304 PolarHBondContact O-N 2.72Å; R301-L305 PolarHBondContact O-N 3.41Å
302L94.2Very high85.6Confident2 Ų237.7 Ų37.71%0.0118%0.184CC..Hα-helixtrans-71.9-24.4-179.5-56-169.4000112.2I237 L241 F248 I250 I300 L305 R306I237-L302 HydrophobicContact CG2-CD2 4.13Å; L241-L302 HydrophobicContact CD2-CB 4.36Å; L241-L302 HydrophobicContact CG-CD1 4.4Å; F248-L302 HydrophobicContact CB-CB 4.33Å; F248-L302 HydrophobicContact CB-CD1 4.25Å; F248-L302 HydrophobicContact CD1-CD1 3.52Å; F248-L302 HydrophobicContact CD1-CG 4.21Å; F248-L302 HydrophobicContact CE1-CD1 4.24Å; F248-L302 HydrophobicContact CG-CD1 4.19Å; F248-L302 VanDerWaalsContact O-CB 3.3Å; F248-L302 WeakPolarHBondContact O-CB 3.46Å; F248-L302 PolarHBondContact O-N 3.38Å; I250-L302 HydrophobicContact CD1-CD1 4.26Å; I250-L302 HydrophobicContact CD1-CD2 4.02Å; I250-L302 HydrophobicContact CD1-CG 4.39Å; I300-L302 HydrophobicContact CG2-CD2 4.22Å; I300-L302 PolarHBondContact O-N 2.85Å; L302-L305 HydrophobicContact CD2-CD2 4.07Å; L302-L305 CarbonylContact O-C 3.52Å; L302-L305 WeakPolarHBondContact O-CB 3.32Å; L302-L305 PolarHBondContact O-N 3.04Å; L302-R306 VanDerWaalsContact O-CG 3.23Å; L302-R306 WeakPolarHBondContact O-CG 3.27Å; L302-R306 PolarHBondContact O-N 2.93Å
303S93.2Very high87.3Confident12 Ų1231.6 Ų31.68%0.08415%0.152CC..Hα-helixtrans-54.3-50.9169.4430000112.4R301 L305 R306 E307R301-S303 VanDerWaalsContact C-N 3.28Å; R301-S303 PolarHBondContact O-N 2.85Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.19Å; S303-R306 WeakPolarHBondContact O-CB 3.43Å; S303-R306 PolarHBondContact O-N 2.69Å; S303-R306 VanDerWaalsContact O-N 3.16Å; S303-E307 PolarHBondContact O-N 2.9Å; S303-E307 VanDerWaalsContact O-N 3.1Å
304I93.1Very high89Confident3 Ų330.8 Ų30.82%0.01515%0.147CC..Hα-helixtrans-66.3-36.8176.2-57.1-178.7000111.1S16 I17 R301 R306 E307 Y308 V682 L683S16-I304 WeakPolarHBondContact O-CD1 3.46Å; I17-I304 HydrophobicContact CG2-CB 4.37Å; I17-I304 HydrophobicContact CG2-CG2 4.12Å; R301-I304 HydrophobicContact CB-CB 4.39Å; R301-I304 HydrophobicContact CB-CD1 4.1Å; R301-I304 HydrophobicContact CB-CG1 4.09Å; R301-I304 PolarHBondContact O-N 2.72Å; I304-R306 VanDerWaalsContact C-N 3.29Å; I304-R306 PolarHBondContact O-N 3.46Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.35Å; I304-Y308 HydrophobicContact CG2-CD2 4.12Å; I304-Y308 HydrophobicContact CG2-CE2 4Å; I304-Y308 WeakPolarHBondContact O-CD2 2.89Å; I304-Y308 PolarHBondContact O-N 3.11Å; I304-Y308 VanDerWaalsContact O-N 3.1Å; I304-V682 HydrophobicContact CD1-CB 4.02Å; I304-V682 HydrophobicContact CD1-CG1 3.97Å; I304-V682 HydrophobicContact CD1-CG2 4.09Å; I304-V682 HydrophobicContact CG1-CB 4.14Å; I304-V682 HydrophobicContact CG1-CG2 4.03Å; I304-L683 HydrophobicContact CG2-CD1 4.42Å; I304-L683 HydrophobicContact CG2-CD2 3.69Å; I304-L683 HydrophobicContact CG2-CG 4.07Å
305L92.2Very high89.9Confident2 Ų226.7 Ų26.71%0.0113%0.125CC..Hα-helixtrans-62.3-37.9174-177.158.5000111.6L10 Y14 I17 I237 L241 R301 L302 S303 Y308 L309L10-L305 HydrophobicContact CD1-CD1 4.04Å; L10-L305 HydrophobicContact CD2-CD2 4.2Å; Y14-L305 HydrophobicContact CD2-CD1 3.43Å; Y14-L305 VanDerWaalsContact CD2-CD1 3.43Å; Y14-L305 HydrophobicContact CE2-CD1 3.78Å; Y14-L305 HydrophobicContact CG-CD1 4.23Å; I17-L305 HydrophobicContact CG2-CB 3.97Å; I17-L305 HydrophobicContact CG2-CD1 4.33Å; I237-L305 HydrophobicContact CG2-CD2 3.83Å; L241-L305 HydrophobicContact CD1-CD2 4Å; R301-L305 PolarHBondContact O-N 3.41Å; L302-L305 HydrophobicContact CD2-CD2 4.07Å; L302-L305 CarbonylContact O-C 3.52Å; L302-L305 WeakPolarHBondContact O-CB 3.32Å; L302-L305 PolarHBondContact O-N 3.04Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.19Å; L305-Y308 PolarHBondContact O-N 2.79Å; L305-L309 HydrophobicContact CD1-CD1 4.2Å; L305-L309 HydrophobicContact CD1-CG 4.2Å; L305-L309 HydrophobicContact CG-CD1 3.85Å; L305-L309 HydrophobicContact CG-CG 4.33Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.26Å; L305-L309 PolarHBondContact O-N 3.25Å
306R92.1Very high90.3Very high15 Ų1529.4 Ų29.46%0.05714%0.142CC..Hα-helixtrans-64.5-39.7174.4-67.816581.491.513111.3L241 L302 S303 I304 L309 K310 F324 E325 L328L241-R306 HydrophobicContact CD2-CG 3.7Å; L302-R306 VanDerWaalsContact O-CG 3.23Å; L302-R306 WeakPolarHBondContact O-CG 3.27Å; L302-R306 PolarHBondContact O-N 2.93Å; S303-R306 WeakPolarHBondContact O-CB 3.43Å; S303-R306 PolarHBondContact O-N 2.69Å; S303-R306 VanDerWaalsContact O-N 3.16Å; I304-R306 VanDerWaalsContact C-N 3.29Å; I304-R306 PolarHBondContact O-N 3.46Å; R306-L309 PolarHBondContact O-N 3.24Å; R306-K310 WeakPolarHBondContact O-CB 3.41Å; R306-K310 WeakPolarHBondContact O-CG 3.28Å; R306-K310 PolarHBondContact O-N 3.25Å; R306-F324 HydrophobicContact CB-CE1 4.03Å; R306-F324 HydrophobicContact CB-CZ 4.16Å; R306-F324 HydrophobicContact CG-CE1 4.25Å; R306-F324 HydrophobicContact CG-CZ 4.48Å; R306-F324 WeakPolarHBondContact O-CZ 3.42Å; R306-E325 IonicContact CZ-OE1 3.61Å; R306-E325 IonicContact CZ-OE2 3.51Å; R306-E325 IonicContact NH2-OE1 3.66Å; R306-E325 PolarHBondContact NH2-OE1 3.07Å; R306-E325 IonicContact NH2-OE2 2.66Å; R306-E325 PolarHBondContact NH2-OE2 3.24Å; R306-L328 VanDerWaalsContact NH1-CD1 3.34Å
307E91.5Very high90.3Very high26 Ų2633.7 Ų33.712%0.12116%0.163CC..Hα-helixtrans-56.9-51.7172.1-65.8174.9-130.600111.6S303 I304 L309 K310 R311 C681 V682 L683S303-E307 PolarHBondContact O-N 2.9Å; S303-E307 VanDerWaalsContact O-N 3.1Å; I304-E307 WeakPolarHBondContact O-CB 3.47Å; I304-E307 PolarHBondContact O-N 3.35Å; E307-L309 VanDerWaalsContact C-N 3.35Å; E307-L309 PolarHBondContact O-N 3.15Å; E307-K310 PolarHBondContact O-N 2.84Å; E307-R311 PolarHBondContact O-N 3.38Å; E307-C681 PolarHBondContact OE2-SG 3.47Å; E307-C681 VanDerWaalsContact OE2-SG 3.34Å; E307-V682 PolarHBondContact OE1-N 3.24Å; E307-V682 PolarHBondContact OE2-N 3.13Å; E307-V682 VanDerWaalsContact OE2-N 3.08Å; E307-L683 HydrophobicContact CB-CD1 3.67Å; E307-L683 HydrophobicContact CB-CG 4.31Å; E307-L683 WeakPolarHBondContact OE2-CG 3.22Å; E307-L683 PolarHBondContact OE2-N 2.92Å
308Y90.8Very high90Very high8 Ų834.9 Ų34.93%0.03117%0.17CC..Hα-helixtrans-57.5-46.5176.2-83.4-64.9000112.4Y14 S16 I17 I304 L305 R311 D312 L683 D687 W688Y14-Y308 AromaticContact CD1-CD1 3.62Å; Y14-Y308 HydrophobicContact CD1-CD1 3.62Å; Y14-Y308 AromaticContact CD1-CD2 3.99Å; Y14-Y308 HydrophobicContact CD1-CD2 3.99Å; Y14-Y308 HydrophobicContact CD1-CE1 4.16Å; Y14-Y308 HydrophobicContact CD1-CE2 4.47Å; Y14-Y308 AromaticContact CD1-CG 3.52Å; Y14-Y308 HydrophobicContact CD1-CG 3.52Å; Y14-Y308 HydrophobicContact CE1-CD1 4.22Å; Y14-Y308 HydrophobicContact CE1-CG 4.18Å; Y14-Y308 HydrophobicContact CG-CD1 4.44Å; Y14-Y308 HydrophobicContact CG-CD2 4Å; Y14-Y308 HydrophobicContact CG-CE2 4.47Å; Y14-Y308 AromaticContact CG-CG 3.97Å; Y14-Y308 HydrophobicContact CG-CG 3.97Å; S16-Y308 PolarHBondContact OG-OH 3.01Å; I17-Y308 HydrophobicContact CG2-CD2 3.99Å; I17-Y308 HydrophobicContact CG2-CE2 4.14Å; I304-Y308 HydrophobicContact CG2-CD2 4.12Å; I304-Y308 HydrophobicContact CG2-CE2 4Å; I304-Y308 WeakPolarHBondContact O-CD2 2.89Å; I304-Y308 PolarHBondContact O-N 3.11Å; I304-Y308 VanDerWaalsContact O-N 3.1Å; L305-Y308 PolarHBondContact O-N 2.79Å; Y308-R311 PolarHBondContact O-N 3.26Å; Y308-D312 PolarHBondContact O-N 2.97Å; Y308-L683 HydrophobicContact CD1-CD1 3.78Å; Y308-L683 HydrophobicContact CD2-CD1 3.74Å; Y308-L683 HydrophobicContact CD2-CD2 4.28Å; Y308-L683 HydrophobicContact CE1-CD1 3.84Å; Y308-L683 HydrophobicContact CE1-CD2 4.25Å; Y308-L683 HydrophobicContact CE2-CD1 3.83Å; Y308-L683 HydrophobicContact CE2-CD2 3.57Å; Y308-L683 HydrophobicContact CE2-CG 4.35Å; Y308-L683 HydrophobicContact CG-CD1 3.73Å; Y308-D687 PolarHBondContact OH-O 2.83Å; Y308-W688 HydrophobicContact CD1-CE3 4.2Å; Y308-W688 HydrophobicContact CD1-CH2 4.5Å; Y308-W688 AromaticContact CD1-CZ3 3.79Å; Y308-W688 HydrophobicContact CD1-CZ3 3.79Å; Y308-W688 HydrophobicContact CE1-CE3 4.35Å; Y308-W688 HydrophobicContact CE1-CZ3 4.35Å
309L88.8Confident89.6Confident5 Ų539.4 Ų39.43%0.02620%0.199CC..Hα-helixtrans-67.6-34.2-178.9-70.5171.6000112.6L241 L305 R306 E307 R311 D312 L313 F324 L328 L331L241-L309 HydrophobicContact CD1-CD1 4.06Å; L305-L309 HydrophobicContact CD1-CD1 4.2Å; L305-L309 HydrophobicContact CD1-CG 4.2Å; L305-L309 HydrophobicContact CG-CD1 3.85Å; L305-L309 HydrophobicContact CG-CG 4.33Å; L305-L309 WeakPolarHBondContact O-CB 3.34Å; L305-L309 WeakPolarHBondContact O-CG 3.26Å; L305-L309 PolarHBondContact O-N 3.25Å; R306-L309 PolarHBondContact O-N 3.24Å; E307-L309 VanDerWaalsContact C-N 3.35Å; E307-L309 PolarHBondContact O-N 3.15Å; L309-R311 VanDerWaalsContact C-N 3.26Å; L309-R311 PolarHBondContact O-N 3.23Å; L309-D312 PolarHBondContact O-N 3.41Å; L309-L313 HydrophobicContact CB-CD1 4.2Å; L309-L313 HydrophobicContact CD2-CD1 4.34Å; L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.12Å; L309-L313 PolarHBondContact O-N 3.39Å; L309-F324 HydrophobicContact CB-CE2 3.93Å; L309-F324 HydrophobicContact CB-CZ 3.95Å; L309-L328 HydrophobicContact CD1-CD2 3.93Å; L309-L331 HydrophobicContact CD1-CD1 3.42Å; L309-L331 VanDerWaalsContact CD1-CD1 3.42Å; L309-L331 HydrophobicContact CD2-CD1 3.78Å; L309-L331 HydrophobicContact CG-CD1 4.21Å
310K88.6Confident89.3Confident66 Ų6641.6 Ų41.629%0.28721%0.209SC..Hα-helixtrans-55.8-42.7173.9-82.2173.9174.2179.80111.1R306 E307 Q314 F324 E678R306-K310 WeakPolarHBondContact O-CB 3.41Å; R306-K310 WeakPolarHBondContact O-CG 3.28Å; R306-K310 PolarHBondContact O-N 3.25Å; E307-K310 PolarHBondContact O-N 2.84Å; K310-Q314 PolarHBondContact O-N 3.39Å; K310-F324 HydrophobicContact CB-CD2 4.31Å; K310-F324 HydrophobicContact CB-CE2 4.18Å; K310-F324 HydrophobicContact CD-CD1 4.42Å; K310-F324 HydrophobicContact CD-CE1 4.47Å; K310-F324 HydrophobicContact CG-CD1 3.82Å; K310-F324 HydrophobicContact CG-CD2 3.57Å; K310-F324 HydrophobicContact CG-CE1 3.81Å; K310-F324 HydrophobicContact CG-CE2 3.57Å; K310-F324 HydrophobicContact CG-CG 3.69Å; K310-F324 HydrophobicContact CG-CZ 3.69Å; K310-E678 IonicContact NZ-OE1 3.81Å; K310-E678 PolarHBondContact NZ-OE1 2.98Å; K310-E678 IonicContact NZ-OE2 2.77Å; K310-E678 PolarHBondContact NZ-OE2 3.4Å
311R86.8Confident89Confident94 Ų9449.9 Ų49.936%0.35525%0.247SC..Hα-helixtrans-69.2-54.4174.3-163.7-171.281.4164.69.8111.8E307 Y308 L309 L313 Q314 W688 E690E307-R311 PolarHBondContact O-N 3.38Å; Y308-R311 PolarHBondContact O-N 3.26Å; L309-R311 VanDerWaalsContact C-N 3.26Å; L309-R311 PolarHBondContact O-N 3.23Å; R311-L313 VanDerWaalsContact C-N 3.25Å; R311-L313 PolarHBondContact O-N 3.05Å; R311-Q314 WeakPolarHBondContact O-CB 3.25Å; R311-Q314 PolarHBondContact O-N 3.16Å; R311-W688 HydrophobicContact CB-CH2 3.93Å; R311-W688 HydrophobicContact CB-CZ3 3.65Å; R311-W688 HydrophobicContact CG-CZ3 4.18Å; R311-W688 PolarHBondContact NH1-O 3.4Å; R311-E690 IonicContact NH2-OE1 3.84Å
312D84.4Confident88.6Confident34 Ų3450.2 Ų50.218%0.18225%0.249CC..Hα-helixtrans-64.1-29.4-173.6-94.535.9000113.1K13 Y14 Y308 L309 K360K13-D312 WeakPolarHBondContact CE-OD2 3.5Å; K13-D312 IonicContact NZ-OD2 3.56Å; K13-D312 PolarHBondContact NZ-OD2 2.05Å; Y14-D312 PolarHBondContact OH-OD2 3.27Å; Y308-D312 PolarHBondContact O-N 2.97Å; L309-D312 PolarHBondContact O-N 3.41Å; D312-K360 VanDerWaalsContact O-CE 3.31Å; D312-K360 WeakPolarHBondContact O-CE 3.35Å; D312-K360 PolarHBondContact O-NZ 3.31Å
313L85.2Confident88.3Confident0 Ų053 Ų530%026%0.264CS..THydrogen-bonded Turntrans-96.2-2.2-179.9-57.3-177.4000113.8L309 R311 I315 Y322 F324 W327 L331 I356L309-L313 HydrophobicContact CB-CD1 4.2Å; L309-L313 HydrophobicContact CD2-CD1 4.34Å; L309-L313 WeakPolarHBondContact O-CB 3.26Å; L309-L313 VanDerWaalsContact O-CG 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.12Å; L309-L313 PolarHBondContact O-N 3.39Å; R311-L313 VanDerWaalsContact C-N 3.25Å; R311-L313 PolarHBondContact O-N 3.05Å; L313-I315 PolarHBondContact O-N 2.94Å; L313-Y322 PolarHBondContact O-OH 3.11Å; L313-F324 HydrophobicContact CD1-CE2 4.37Å; L313-W327 HydrophobicContact CB-CB 4.45Å; L313-W327 HydrophobicContact CB-CD2 4.08Å; L313-W327 HydrophobicContact CB-CE3 3.63Å; L313-W327 HydrophobicContact CB-CG 4.39Å; L313-W327 HydrophobicContact CB-CZ3 4.3Å; L313-W327 HydrophobicContact CD1-CB 4.06Å; L313-W327 HydrophobicContact CD1-CE3 4.13Å; L313-W327 HydrophobicContact CD2-CE3 3.88Å; L313-W327 HydrophobicContact CD2-CZ3 4.15Å; L313-W327 HydrophobicContact CG-CE3 4.07Å; L313-L331 HydrophobicContact CD1-CD1 4.47Å; L313-I356 HydrophobicContact CD2-CD1 3.8Å; L313-I356 HydrophobicContact CD2-CG1 3.88Å; L313-I356 HydrophobicContact CD2-CG2 3.83Å
314Q85.4Confident88.1Confident119 Ų11953.2 Ų53.256%0.55626%0.263SS*.  trans-59.2135.7176.9-164.8176.715.800111.2K310 R311 K360K310-Q314 PolarHBondContact O-N 3.39Å; R311-Q314 WeakPolarHBondContact O-CB 3.25Å; R311-Q314 PolarHBondContact O-N 3.16Å; Q314-K360 WeakPolarHBondContact O-CE 3.18Å; Q314-K360 PolarHBondContact O-NZ 3.49Å
315I84.8Confident87.8Confident10 Ų1053.8 Ų53.85%0.05127%0.266CS..  trans-120.2118.7168.6-59.4-165.7000108.8L313 L318 W327 K360 V363 Y364L313-I315 PolarHBondContact O-N 2.94Å; I315-L318 HydrophobicContact CB-CD1 4.03Å; I315-L318 HydrophobicContact CB-CD2 4.1Å; I315-L318 HydrophobicContact CB-CG 3.89Å; I315-L318 HydrophobicContact CD1-CD2 4.2Å; I315-L318 HydrophobicContact CG2-CD1 4.4Å; I315-L318 HydrophobicContact CG2-CD2 3.61Å; I315-L318 HydrophobicContact CG2-CG 3.71Å; I315-W327 HydrophobicContact CD1-CH2 3.55Å; I315-W327 HydrophobicContact CD1-CZ2 3.29Å; I315-W327 HydrophobicContact CG1-CH2 3.99Å; I315-W327 HydrophobicContact CG1-CZ2 3.72Å; I315-K360 HydrophobicContact CD1-CB 3.83Å; I315-K360 HydrophobicContact CD1-CD 4.42Å; I315-K360 HydrophobicContact CD1-CG 3.73Å; I315-K360 HydrophobicContact CG1-CB 4.36Å; I315-K360 HydrophobicContact CG1-CD 4.02Å; I315-K360 HydrophobicContact CG1-CG 3.84Å; I315-V363 HydrophobicContact CD1-CB 4.11Å; I315-V363 HydrophobicContact CD1-CG1 4.09Å; I315-Y364 HydrophobicContact CG2-CD1 4.46Å; I315-Y364 HydrophobicContact CG2-CD2 4.49Å; I315-Y364 HydrophobicContact CG2-CE1 3.63Å; I315-Y364 HydrophobicContact CG2-CE2 3.69Å; I315-Y364 WeakPolarHBondContact CG2-OH 3.48Å
316P86.9Confident87.1Confident77 Ų7754.9 Ų54.950%0.527%0.273SS..SBendtrans-73.9151170.831.5-33.9000111.1L318 Y364P316-L318 PolarHBondContact O-N 3.39Å; P316-Y364 PolarHBondContact O-OH 3.19Å
317N87.9Confident86.3Confident151 Ų15154.2 Ų54.281%0.80727%0.27SS*.SBendtrans59.842.9171-47-27.1000114.3
318L86.9Confident85.4Confident31 Ų3153 Ų5316%0.16227%0.265CS..  trans-72.4143.8170.2-76.8177.8000111.5I315 P316 F320 Y322 V363 Y364I315-L318 HydrophobicContact CB-CD1 4.03Å; I315-L318 HydrophobicContact CB-CD2 4.1Å; I315-L318 HydrophobicContact CB-CG 3.89Å; I315-L318 HydrophobicContact CD1-CD2 4.2Å; I315-L318 HydrophobicContact CG2-CD1 4.4Å; I315-L318 HydrophobicContact CG2-CD2 3.61Å; I315-L318 HydrophobicContact CG2-CG 3.71Å; P316-L318 PolarHBondContact O-N 3.39Å; L318-F320 WeakPolarHBondContact CB-O 3.29Å; L318-F320 HydrophobicContact CD1-CE2 3.99Å; L318-F320 HydrophobicContact CD1-CZ 3.95Å; L318-F320 HydrophobicContact CD2-CE1 4.02Å; L318-F320 HydrophobicContact CD2-CZ 3.87Å; L318-F320 HydrophobicContact CG-CZ 4.37Å; L318-F320 PolarHBondContact O-N 3.22Å; L318-Y322 HydrophobicContact CD1-CD2 3.87Å; L318-V363 HydrophobicContact CD2-CG1 3.65Å; L318-Y364 HydrophobicContact CD2-CD1 4.38Å; L318-Y364 HydrophobicContact CD2-CE1 4.39Å
319P85.3Confident84.4Confident99 Ų9952.9 Ų52.964%0.64327%0.265SS*.SBendtrans-79.78.7175.432-32.8000113.7
320F89.2Confident83.3Confident54 Ų5452.8 Ų52.824%0.23727%0.265CS..SBendtrans-150.9165.5178.660.8-92.2000109.4L318 Y322 V363 G367 G368 Y369L318-F320 WeakPolarHBondContact CB-O 3.29Å; L318-F320 HydrophobicContact CD1-CE2 3.99Å; L318-F320 HydrophobicContact CD1-CZ 3.95Å; L318-F320 HydrophobicContact CD2-CE1 4.02Å; L318-F320 HydrophobicContact CD2-CZ 3.87Å; L318-F320 HydrophobicContact CG-CZ 4.37Å; L318-F320 PolarHBondContact O-N 3.22Å; F320-Y322 PolarHBondContact O-N 2.93Å; F320-V363 HydrophobicContact CE1-CG1 3.99Å; F320-V363 HydrophobicContact CZ-CG1 3.5Å; F320-V363 VanDerWaalsContact CZ-CG1 3.5Å; F320-G367 VanDerWaalsContact CE1-C 3.41Å; F320-G368 VanDerWaalsContact CE1-N 3.34Å; F320-Y369 HydrophobicContact CD2-CE2 4.13Å; F320-Y369 HydrophobicContact CE2-CD2 4.4Å; F320-Y369 HydrophobicContact CE2-CE1 4.2Å; F320-Y369 AromaticContact CE2-CE2 3.68Å; F320-Y369 HydrophobicContact CE2-CE2 3.68Å; F320-Y369 AromaticContact CE2-CZ 3.56Å; F320-Y369 WeakPolarHBondContact CE2-OH 3.36Å
321Q87.2Confident82.3Confident174 Ų17450.3 Ų50.381%0.81326%0.255SS*.  trans-62127.2-176.7-173.4175.72.200112.6Y369Q321-Y369 PolarHBondContact O-OH 2.96Å
322Y87.1Confident81.2Confident73 Ų7345.9 Ų45.929%0.28624%0.238SC..  trans-70.6128.1173-178.8-94.3000110.9L313 L318 F320 F324 W327 Y369L313-Y322 PolarHBondContact O-OH 3.11Å; L318-Y322 HydrophobicContact CD1-CD2 3.87Å; F320-Y322 PolarHBondContact O-N 2.93Å; Y322-F324 HydrophobicContact CE1-CB 3.98Å; Y322-W327 AromaticContact CD2-NE1 3.75Å; Y322-W327 AromaticContact CE2-CD1 3.42Å; Y322-W327 VanDerWaalsContact CE2-CD1 3.42Å; Y322-W327 HydrophobicContact CE2-CD2 4.49Å; Y322-W327 HydrophobicContact CE2-CG 4.22Å; Y322-W327 AromaticContact CE2-NE1 3.3Å; Y322-W327 VanDerWaalsContact CE2-NE1 3.3Å; Y322-W327 AromaticContact CZ-CD1 3.82Å; Y322-Y369 WeakPolarHBondContact CA-OH 3.43Å
323D87.6Confident80.2Confident61 Ų6145.1 Ų45.133%0.32623%0.234SC..  trans-130.7106.8179.1-179.5-17000108.3E325 V326 W327 Y369D323-E325 PolarHBondContact O-N 3.01Å; D323-E325 WeakPolarHBondContact OD1-CB 3.25Å; D323-E325 PolarHBondContact OD1-N 2.87Å; D323-V326 HydrophobicContact CB-CG2 4.29Å; D323-V326 PolarHBondContact O-N 3.32Å; D323-V326 WeakPolarHBondContact OD2-CG2 3.49Å; D323-W327 VanDerWaalsContact O-CD1 3.3Å; D323-W327 PolarHBondContact O-N 2.85Å; D323-Y369 HydrophobicContact CB-CE2 4.48Å; D323-Y369 PolarHBondContact N-OH 3.13Å
324F88Confident79.1Confident15 Ų1545.2 Ų45.27%0.06624%0.235CC..Hα-helixtrans-63.7-28.5-178.6175.6-109.8000113.2R306 L309 K310 L313 Y322 W327 L328R306-F324 HydrophobicContact CB-CE1 4.03Å; R306-F324 HydrophobicContact CB-CZ 4.16Å; R306-F324 HydrophobicContact CG-CE1 4.25Å; R306-F324 HydrophobicContact CG-CZ 4.48Å; R306-F324 WeakPolarHBondContact O-CZ 3.42Å; L309-F324 HydrophobicContact CB-CE2 3.93Å; L309-F324 HydrophobicContact CB-CZ 3.95Å; K310-F324 HydrophobicContact CB-CD2 4.31Å; K310-F324 HydrophobicContact CB-CE2 4.18Å; K310-F324 HydrophobicContact CD-CD1 4.42Å; K310-F324 HydrophobicContact CD-CE1 4.47Å; K310-F324 HydrophobicContact CG-CD1 3.82Å; K310-F324 HydrophobicContact CG-CD2 3.57Å; K310-F324 HydrophobicContact CG-CE1 3.81Å; K310-F324 HydrophobicContact CG-CE2 3.57Å; K310-F324 HydrophobicContact CG-CG 3.69Å; K310-F324 HydrophobicContact CG-CZ 3.69Å; L313-F324 HydrophobicContact CD1-CE2 4.37Å; Y322-F324 HydrophobicContact CE1-CB 3.98Å; F324-W327 VanDerWaalsContact O-CB 3.3Å; F324-W327 WeakPolarHBondContact O-CB 3.4Å; F324-W327 PolarHBondContact O-N 2.7Å; F324-W327 VanDerWaalsContact O-N 3.13Å; F324-L328 HydrophobicContact CE1-CD1 3.95Å; F324-L328 HydrophobicContact CE1-CD2 4.12Å; F324-L328 HydrophobicContact CE1-CG 4.09Å; F324-L328 HydrophobicContact CE2-CD2 4.25Å; F324-L328 HydrophobicContact CZ-CD1 4.35Å; F324-L328 HydrophobicContact CZ-CD2 3.66Å; F324-L328 HydrophobicContact CZ-CG 4.05Å; F324-L328 PolarHBondContact O-N 2.92Å
325E86.6Confident77.9Confident16 Ų1639.6 Ų39.68%0.07521%0.209CC..Hα-helixtrans-68.5-42.7-176.8-57.8-54.3133.100110.4H244 R306 D323 W327 L328 M672H244-E325 PolarHBondContact CE1-O 3.39Å; H244-E325 IonicContact CE1-OE2 3.7Å; H244-E325 IonicContact CG-OE2 3.8Å; H244-E325 IonicContact ND1-OE2 3.41Å; H244-E325 PolarHBondContact ND1-OE2 3.27Å; R306-E325 IonicContact CZ-OE1 3.61Å; R306-E325 IonicContact CZ-OE2 3.51Å; R306-E325 IonicContact NH2-OE1 3.66Å; R306-E325 PolarHBondContact NH2-OE1 3.07Å; R306-E325 IonicContact NH2-OE2 2.66Å; R306-E325 PolarHBondContact NH2-OE2 3.24Å; D323-E325 PolarHBondContact O-N 3.01Å; D323-E325 WeakPolarHBondContact OD1-CB 3.25Å; D323-E325 PolarHBondContact OD1-N 2.87Å; E325-W327 PolarHBondContact O-N 3.27Å; E325-L328 WeakPolarHBondContact O-CB 3.31Å; E325-L328 PolarHBondContact O-N 3.34Å; E325-L328 VanDerWaalsContact O-N 3.16Å; E325-M672 HydrophobicContact CG-CB 4.38Å
326V79.1Confident76.8Confident25 Ų2539.3 Ų39.315%0.15221%0.208CC..Hα-helixtrans-67.7-24.2174.8-167.80000111.8D323 A329 Y369 T371D323-V326 HydrophobicContact CB-CG2 4.29Å; D323-V326 PolarHBondContact O-N 3.32Å; D323-V326 WeakPolarHBondContact OD2-CG2 3.49Å; V326-A329 PolarHBondContact O-N 2.8Å; V326-Y369 HydrophobicContact CB-CD1 3.91Å; V326-Y369 HydrophobicContact CB-CD2 4.22Å; V326-Y369 HydrophobicContact CB-CE1 4.17Å; V326-Y369 HydrophobicContact CB-CE2 4.49Å; V326-Y369 HydrophobicContact CB-CG 3.95Å; V326-Y369 VanDerWaalsContact CG1-CB 3.44Å; V326-Y369 HydrophobicContact CG1-CD1 3.71Å; V326-Y369 HydrophobicContact CG1-CD2 3.85Å; V326-Y369 HydrophobicContact CG1-CE1 4.44Å; V326-Y369 HydrophobicContact CG1-CG 3.37Å; V326-T371 VanDerWaalsContact CG1-O 3.25Å; V326-T371 WeakPolarHBondContact CG1-O 3.33Å
327W74.7Confident75.2Confident0 Ų036.8 Ų36.80%019%0.191CC..Hα-helixtrans-67.9-31.7172.2-89.992.3000113.7L313 I315 Y322 D323 F324 E325 A329 L330 Y359 K360 V363 Y369L313-W327 HydrophobicContact CB-CB 4.45Å; L313-W327 HydrophobicContact CB-CD2 4.08Å; L313-W327 HydrophobicContact CB-CE3 3.63Å; L313-W327 HydrophobicContact CB-CG 4.39Å; L313-W327 HydrophobicContact CB-CZ3 4.3Å; L313-W327 HydrophobicContact CD1-CB 4.06Å; L313-W327 HydrophobicContact CD1-CE3 4.13Å; L313-W327 HydrophobicContact CD2-CE3 3.88Å; L313-W327 HydrophobicContact CD2-CZ3 4.15Å; L313-W327 HydrophobicContact CG-CE3 4.07Å; I315-W327 HydrophobicContact CD1-CH2 3.55Å; I315-W327 HydrophobicContact CD1-CZ2 3.29Å; I315-W327 HydrophobicContact CG1-CH2 3.99Å; I315-W327 HydrophobicContact CG1-CZ2 3.72Å; Y322-W327 AromaticContact CD2-NE1 3.75Å; Y322-W327 AromaticContact CE2-CD1 3.42Å; Y322-W327 VanDerWaalsContact CE2-CD1 3.42Å; Y322-W327 HydrophobicContact CE2-CD2 4.49Å; Y322-W327 HydrophobicContact CE2-CG 4.22Å; Y322-W327 AromaticContact CE2-NE1 3.3Å; Y322-W327 VanDerWaalsContact CE2-NE1 3.3Å; Y322-W327 AromaticContact CZ-CD1 3.82Å; D323-W327 VanDerWaalsContact O-CD1 3.3Å; D323-W327 PolarHBondContact O-N 2.85Å; F324-W327 VanDerWaalsContact O-CB 3.3Å; F324-W327 WeakPolarHBondContact O-CB 3.4Å; F324-W327 PolarHBondContact O-N 2.7Å; F324-W327 VanDerWaalsContact O-N 3.13Å; E325-W327 PolarHBondContact O-N 3.27Å; W327-A329 PolarHBondContact O-N 3.14Å; W327-L330 HydrophobicContact CE3-CD2 4.45Å; W327-L330 HydrophobicContact CZ3-CD2 4.25Å; W327-L330 VanDerWaalsContact O-CB 3.24Å; W327-L330 WeakPolarHBondContact O-CB 3.47Å; W327-L330 PolarHBondContact O-N 3.29Å; W327-Y359 HydrophobicContact CD2-CD1 4.48Å; W327-Y359 AromaticContact CD2-CE1 3.84Å; W327-Y359 HydrophobicContact CD2-CE1 3.84Å; W327-Y359 AromaticContact CE2-CE1 3.96Å; W327-Y359 AromaticContact CE3-CD1 3.75Å; W327-Y359 HydrophobicContact CE3-CD1 3.75Å; W327-Y359 AromaticContact CE3-CE1 3.49Å; W327-Y359 HydrophobicContact CE3-CE1 3.49Å; W327-Y359 VanDerWaalsContact CE3-CE1 3.49Å; W327-Y359 AromaticContact CH2-CD1 3.2Å; W327-Y359 HydrophobicContact CH2-CD1 3.2Å; W327-Y359 AromaticContact CH2-CE1 3.34Å; W327-Y359 HydrophobicContact CH2-CE1 3.34Å; W327-Y359 HydrophobicContact CH2-CG 4.11Å; W327-Y359 HydrophobicContact CZ2-CD1 4.01Å; W327-Y359 AromaticContact CZ2-CE1 3.68Å; W327-Y359 HydrophobicContact CZ2-CE1 3.68Å; W327-Y359 AromaticContact CZ3-CD1 3.11Å; W327-Y359 HydrophobicContact CZ3-CD1 3.11Å; W327-Y359 AromaticContact CZ3-CE1 3.32Å; W327-Y359 HydrophobicContact CZ3-CE1 3.32Å; W327-Y359 HydrophobicContact CZ3-CG 4.28Å; W327-K360 HydrophobicContact CH2-CG 3.78Å; W327-K360 HydrophobicContact CZ3-CG 4.21Å; W327-V363 HydrophobicContact CH2-CG2 4.31Å; W327-V363 HydrophobicContact CZ2-CG2 4.01Å; W327-Y369 AromaticContact CD1-CE1 3.63Å; W327-Y369 AromaticContact NE1-CE1 3.5Å
328L72Confident73.5Confident1 Ų130.2 Ų30.21%0.00516%0.156CC..Hα-helixtrans-63.4-31.8177.2-67.4174.3000112.3L241 R306 L309 F324 E325 L330 L331L241-L328 HydrophobicContact CD1-CD2 4.46Å; L241-L328 HydrophobicContact CD2-CD2 4.18Å; R306-L328 VanDerWaalsContact NH1-CD1 3.34Å; L309-L328 HydrophobicContact CD1-CD2 3.93Å; F324-L328 HydrophobicContact CE1-CD1 3.95Å; F324-L328 HydrophobicContact CE1-CD2 4.12Å; F324-L328 HydrophobicContact CE1-CG 4.09Å; F324-L328 HydrophobicContact CE2-CD2 4.25Å; F324-L328 HydrophobicContact CZ-CD1 4.35Å; F324-L328 HydrophobicContact CZ-CD2 3.66Å; F324-L328 HydrophobicContact CZ-CG 4.05Å; F324-L328 PolarHBondContact O-N 2.92Å; E325-L328 WeakPolarHBondContact O-CB 3.31Å; E325-L328 PolarHBondContact O-N 3.34Å; E325-L328 VanDerWaalsContact O-N 3.16Å; L328-L330 PolarHBondContact O-N 3.25Å; L328-L331 HydrophobicContact CD2-CD1 4.24Å; L328-L331 WeakPolarHBondContact O-CB 3.1Å; L328-L331 PolarHBondContact O-N 3.23Å
329A69.5Low71.9Confident5 Ų531.1 Ų31.14%0.04116%0.163CC..Hα-helixtrans-67.3-11.3174.600000114.1V326 W327 T332 I333 T371 Y502V326-A329 PolarHBondContact O-N 2.8Å; W327-A329 PolarHBondContact O-N 3.14Å; A329-T332 WeakPolarHBondContact CA-OG1 3.47Å; A329-T332 PolarHBondContact O-OG1 2.84Å; A329-I333 WeakPolarHBondContact O-CD1 3.34Å; A329-I333 WeakPolarHBondContact O-CG1 3.42Å; A329-I333 PolarHBondContact O-N 3.11Å; A329-T371 HydrophobicContact CB-CG2 4.07Å; A329-T371 VanDerWaalsContact CB-OG1 3.31Å; A329-T371 WeakPolarHBondContact CB-OG1 3.37Å; A329-Y502 VanDerWaalsContact CA-OH 3.3Å; A329-Y502 WeakPolarHBondContact CA-OH 3.43Å; A329-Y502 HydrophobicContact CB-CE2 4.23Å; A329-Y502 WeakPolarHBondContact CB-OH 3.13Å
330L67Low70.3Confident3 Ų328.6 Ų28.62%0.01614%0.142CC..Hα-helixtrans-66.3-42.9164.3-179.772.8000111.3W327 L328 T332 I333 G334 L355 I356 Y359 L370W327-L330 HydrophobicContact CE3-CD2 4.45Å; W327-L330 HydrophobicContact CZ3-CD2 4.25Å; W327-L330 VanDerWaalsContact O-CB 3.24Å; W327-L330 WeakPolarHBondContact O-CB 3.47Å; W327-L330 PolarHBondContact O-N 3.29Å; L328-L330 PolarHBondContact O-N 3.25Å; L330-T332 VanDerWaalsContact C-N 3.29Å; L330-T332 PolarHBondContact O-N 3.38Å; L330-I333 PolarHBondContact O-N 3.42Å; L330-G334 PolarHBondContact O-N 3.43Å; L330-L355 HydrophobicContact CD1-CD2 4.36Å; L330-L355 HydrophobicContact CG-CD2 4.45Å; L330-I356 HydrophobicContact CD2-CG1 4.06Å; L330-Y359 HydrophobicContact CB-CD1 4.02Å; L330-Y359 HydrophobicContact CB-CE1 3.89Å; L330-Y359 HydrophobicContact CD1-CD1 3.39Å; L330-Y359 HydrophobicContact CD1-CD2 4.11Å; L330-Y359 HydrophobicContact CD1-CE1 3.89Å; L330-Y359 HydrophobicContact CD1-CG 3.46Å; L330-Y359 VanDerWaalsContact CD1-CG 3.46Å; L330-Y359 HydrophobicContact CD2-CD1 3.36Å; L330-Y359 HydrophobicContact CD2-CE1 4.05Å; L330-Y359 HydrophobicContact CD2-CG 4.07Å; L330-Y359 HydrophobicContact CG-CD1 3.72Å; L330-Y359 HydrophobicContact CG-CE1 4.11Å; L330-Y359 HydrophobicContact CG-CG 4.27Å; L330-L370 HydrophobicContact CD1-CD1 3.67Å
331L66.5Low68.7Low14 Ų1430.8 Ų30.87%0.07315%0.149CC..Hα-helixtrans-67.4-36.2-172-63173.3000110.5M238 L241 L309 L313 L328 G334 F335M238-L331 HydrophobicContact CE-CB 4.15Å; M238-L331 HydrophobicContact SD-CB 3.72Å; L241-L331 HydrophobicContact CD1-CD1 4.26Å; L309-L331 HydrophobicContact CD1-CD1 3.42Å; L309-L331 VanDerWaalsContact CD1-CD1 3.42Å; L309-L331 HydrophobicContact CD2-CD1 3.78Å; L309-L331 HydrophobicContact CG-CD1 4.21Å; L313-L331 HydrophobicContact CD1-CD1 4.47Å; L328-L331 HydrophobicContact CD2-CD1 4.24Å; L328-L331 WeakPolarHBondContact O-CB 3.1Å; L328-L331 PolarHBondContact O-N 3.23Å; L331-G334 PolarHBondContact O-N 3.37Å; L331-F335 WeakPolarHBondContact O-CB 3.19Å; L331-F335 PolarHBondContact O-N 3.28Å
332T64.3Low67Low2 Ų224 Ų241%0.01212%0.117CC..Hα-helixtrans-64.6-42.7172.956.70000111.9M238 A242 A329 L330 S336 L498 Y501 Y502M238-T332 HydrophobicContact CB-CG2 4.33Å; A242-T332 HydrophobicContact CB-CG2 4.23Å; A329-T332 WeakPolarHBondContact CA-OG1 3.47Å; A329-T332 PolarHBondContact O-OG1 2.84Å; L330-T332 VanDerWaalsContact C-N 3.29Å; L330-T332 PolarHBondContact O-N 3.38Å; T332-S336 VanDerWaalsContact O-CB 3.27Å; T332-S336 WeakPolarHBondContact O-CB 3.42Å; T332-S336 PolarHBondContact O-N 3.17Å; T332-S336 PolarHBondContact O-OG 3.26Å; T332-L498 WeakPolarHBondContact OG1-CD1 3.22Å; T332-Y501 HydrophobicContact CG2-CD1 4.18Å; T332-Y502 HydrophobicContact CG2-CE2 3.98Å
333I63.5Low65.1Low17 Ų1722 Ų229%0.08711%0.112CC..Hα-helixtrans-61.7-48.6171.4-62163.5000110.9A329 L330 F335 S336 C337 L370 T371 L376 L498A329-I333 WeakPolarHBondContact O-CD1 3.34Å; A329-I333 WeakPolarHBondContact O-CG1 3.42Å; A329-I333 PolarHBondContact O-N 3.11Å; L330-I333 PolarHBondContact O-N 3.42Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.16Å; I333-S336 WeakPolarHBondContact O-CB 3.38Å; I333-S336 PolarHBondContact O-N 2.81Å; I333-C337 PolarHBondContact O-N 2.87Å; I333-C337 PolarHBondContact O-SG 2.98Å; I333-L370 HydrophobicContact CD1-CB 4.19Å; I333-L370 HydrophobicContact CD1-CD1 4.15Å; I333-T371 HydrophobicContact CD1-CG2 3.43Å; I333-T371 VanDerWaalsContact CD1-CG2 3.43Å; I333-T371 HydrophobicContact CG1-CG2 4.32Å; I333-L376 HydrophobicContact CD1-CD2 3.41Å; I333-L376 VanDerWaalsContact CD1-CD2 3.41Å; I333-L376 HydrophobicContact CG1-CD2 3.89Å; I333-L498 HydrophobicContact CG1-CD1 4.17Å; I333-L498 HydrophobicContact CG1-CD2 4.41Å
334G60.9Low63.2Low3 Ų321.1 Ų21.13%0.03111%0.105CC..Hα-helixtrans-60.4-43.8-177.200000112.1L330 L331 I338L330-G334 PolarHBondContact O-N 3.43Å; L331-G334 PolarHBondContact O-N 3.37Å; G334-I338 VanDerWaalsContact O-CD1 3.23Å; G334-I338 WeakPolarHBondContact O-CD1 3.16Å; G334-I338 WeakPolarHBondContact O-CG1 3.26Å; G334-I338 PolarHBondContact O-N 3.19Å
335F61.6Low61.3Low1 Ų122 Ų220%0.00411%0.113CC..Hα-helixtrans-62.3-50.6172.1-169.2-97.3000110.9M1 F6 A234 D235 M238 L331 I333 C337 I338 T339 F347M1-F335 HydrophobicContact CE-CD1 4.27Å; M1-F335 HydrophobicContact CE-CD2 4.45Å; M1-F335 HydrophobicContact CE-CE1 3.62Å; M1-F335 HydrophobicContact CE-CE2 3.84Å; M1-F335 HydrophobicContact CE-CZ 3.38Å; M1-F335 HydrophobicContact SD-CE2 4.25Å; M1-F335 HydrophobicContact SD-CZ 4.38Å; F6-F335 AromaticContact CD1-CE2 3.84Å; F6-F335 HydrophobicContact CD1-CE2 3.84Å; F6-F335 HydrophobicContact CD2-CE2 4.37Å; F6-F335 HydrophobicContact CE1-CD2 4.46Å; F6-F335 HydrophobicContact CE1-CE2 4.06Å; F6-F335 HydrophobicContact CE2-CD2 4.45Å; F6-F335 HydrophobicContact CG-CE2 4Å; F6-F335 HydrophobicContact CZ-CD2 4.42Å; F6-F335 HydrophobicContact CZ-CE2 4.44Å; A234-F335 HydrophobicContact CB-CE2 4.19Å; A234-F335 HydrophobicContact CB-CZ 3.9Å; D235-F335 HydrophobicContact CB-CE1 4.12Å; D235-F335 HydrophobicContact CB-CZ 4.43Å; D235-F335 VanDerWaalsContact CG-CE1 3.46Å; D235-F335 WeakPolarHBondContact OD1-CE1 3.37Å; D235-F335 VanDerWaalsContact OD1-CZ 3.32Å; D235-F335 WeakPolarHBondContact OD1-CZ 3.46Å; M238-F335 HydrophobicContact CE-CB 4.3Å; M238-F335 HydrophobicContact CE-CD2 4.12Å; M238-F335 HydrophobicContact CE-CG 4.45Å; M238-F335 HydrophobicContact CG-CB 3.86Å; M238-F335 HydrophobicContact CG-CD1 3.94Å; M238-F335 HydrophobicContact CG-CD2 3.9Å; M238-F335 HydrophobicContact CG-CE1 4.42Å; M238-F335 HydrophobicContact CG-CE2 4.4Å; M238-F335 HydrophobicContact CG-CG 3.65Å; M238-F335 HydrophobicContact SD-CB 4.12Å; M238-F335 HydrophobicContact SD-CG 4.46Å; L331-F335 WeakPolarHBondContact O-CB 3.19Å; L331-F335 PolarHBondContact O-N 3.28Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.16Å; F335-C337 VanDerWaalsContact C-N 3.35Å; F335-C337 PolarHBondContact O-N 2.98Å; F335-I338 CarbonylContact O-C 3.58Å; F335-I338 WeakPolarHBondContact O-CA 3.11Å; F335-I338 WeakPolarHBondContact O-CB 3.36Å; F335-I338 PolarHBondContact O-N 2.86Å; F335-T339 PolarHBondContact O-N 3.11Å; F335-T339 PolarHBondContact O-OG1 2.88Å; F335-F347 HydrophobicContact CD2-CZ 4.15Å; F335-F347 HydrophobicContact CE2-CZ 4.42Å
336S60.2Low59.5Low3 Ų323.8 Ų23.82%0.02112%0.124CC..Hα-helixtrans-53.9-45.5177.6-59.80000113T332 I333 I338 T339 F340 V497T332-S336 VanDerWaalsContact O-CB 3.27Å; T332-S336 WeakPolarHBondContact O-CB 3.42Å; T332-S336 PolarHBondContact O-N 3.17Å; T332-S336 PolarHBondContact O-OG 3.26Å; I333-S336 WeakPolarHBondContact O-CB 3.38Å; I333-S336 PolarHBondContact O-N 2.81Å; S336-I338 PolarHBondContact O-N 2.94Å; S336-T339 WeakPolarHBondContact O-CB 3.32Å; S336-T339 PolarHBondContact O-N 2.89Å; S336-T339 VanDerWaalsContact O-N 3.1Å; S336-F340 WeakPolarHBondContact O-CD2 3.48Å; S336-F340 PolarHBondContact O-N 3.24Å; S336-V497 VanDerWaalsContact OG-CG1 3.25Å; S336-V497 WeakPolarHBondContact OG-CG1 3.46Å
337C54Low58Low24 Ų2423.4 Ų23.416%0.16212%0.12CC..Hα-helixtrans-59.4-32.5174.2-74.40000112.7I333 F335 F342 Y490I333-C337 PolarHBondContact O-N 2.87Å; I333-C337 PolarHBondContact O-SG 2.98Å; F335-C337 VanDerWaalsContact C-N 3.35Å; F335-C337 PolarHBondContact O-N 2.98Å; C337-F342 WeakPolarHBondContact O-CB 3.35Å; C337-F342 PolarHBondContact O-N 3.12Å; C337-Y490 PolarHBondContact O-OH 2.91Å
338I53.4Low56.8Low13 Ų1325.1 Ų25.17%0.06713%0.132CC..Hα-helixtrans-81.8-31.9176.3-55.3160.2000110.6M1 G334 F335 S336 R341 F347 I352M1-I338 HydrophobicContact CG-CG2 3.92Å; M1-I338 HydrophobicContact SD-CB 3.92Å; M1-I338 HydrophobicContact SD-CG2 3.58Å; M1-I338 VanDerWaalsContact SD-CG2 3.58Å; G334-I338 VanDerWaalsContact O-CD1 3.23Å; G334-I338 WeakPolarHBondContact O-CD1 3.16Å; G334-I338 WeakPolarHBondContact O-CG1 3.26Å; G334-I338 PolarHBondContact O-N 3.19Å; F335-I338 CarbonylContact O-C 3.58Å; F335-I338 WeakPolarHBondContact O-CA 3.11Å; F335-I338 WeakPolarHBondContact O-CB 3.36Å; F335-I338 PolarHBondContact O-N 2.86Å; S336-I338 PolarHBondContact O-N 2.94Å; I338-R341 PolarHBondContact O-N 3.32Å; I338-F347 HydrophobicContact CB-CE2 4.38Å; I338-F347 HydrophobicContact CB-CZ 4.21Å; I338-F347 HydrophobicContact CD1-CD1 3.98Å; I338-F347 HydrophobicContact CD1-CE1 3.34Å; I338-F347 HydrophobicContact CD1-CE2 4.33Å; I338-F347 HydrophobicContact CD1-CZ 3.54Å; I338-F347 HydrophobicContact CG1-CZ 4.45Å; I338-F347 HydrophobicContact CG2-CD2 3.97Å; I338-F347 HydrophobicContact CG2-CE2 3.58Å; I338-F347 HydrophobicContact CG2-CZ 3.88Å; I338-I352 HydrophobicContact CD1-CG1 4.35Å
339T51.4Low56.1Low51 Ų5127.5 Ų27.531%0.31314%0.143SC..Hα-helixtrans-62.1-51173.8-50.50000111.5M1 F335 S336 R341M1-T339 HydrophobicContact CE-CG2 4.06Å; M1-T339 WeakPolarHBondContact CE-OG1 3.39Å; F335-T339 PolarHBondContact O-N 3.11Å; F335-T339 PolarHBondContact O-OG1 2.88Å; S336-T339 WeakPolarHBondContact O-CB 3.32Å; S336-T339 PolarHBondContact O-N 2.89Å; S336-T339 VanDerWaalsContact O-N 3.1Å; T339-R341 PolarHBondContact O-N 2.76Å
340F52.2Low55.9Low45 Ų4528 Ų2820%0.19715%0.148CC..THydrogen-bonded Turntrans-6812.9175.5-81.2-72.1000114.3S336 F342 Y490 G493 L494 V497 W510S336-F340 WeakPolarHBondContact O-CD2 3.48Å; S336-F340 PolarHBondContact O-N 3.24Å; F340-F342 VanDerWaalsContact C-N 3.31Å; F340-F342 PolarHBondContact O-N 3.29Å; F340-Y490 HydrophobicContact CB-CE2 3.63Å; F340-Y490 WeakPolarHBondContact CB-OH 3.4Å; F340-Y490 HydrophobicContact CG-CE2 4.36Å; F340-G493 WeakPolarHBondContact CE2-O 3.34Å; F340-L494 HydrophobicContact CD2-CD2 4.11Å; F340-L494 HydrophobicContact CE2-CD2 4.47Å; F340-V497 HydrophobicContact CE2-CB 4.29Å; F340-V497 HydrophobicContact CE2-CG2 3.45Å; F340-V497 VanDerWaalsContact CE2-CG2 3.45Å; F340-V497 HydrophobicContact CZ-CG2 3.7Å; F340-W510 HydrophobicContact CE1-CH2 4.3Å; F340-W510 HydrophobicContact CZ-CH2 4.18Å; F340-W510 HydrophobicContact CZ-CZ3 4.46Å
341R55.8Low55.8Low100 Ų10028.4 Ų28.438%0.37715%0.152SC..THydrogen-bonded Turntrans52.744.9175.6-57.1-176.8178.4-129.910.2112.5I338 T339 V343 S517 Q593 G594I338-R341 PolarHBondContact O-N 3.32Å; T339-R341 PolarHBondContact O-N 2.76Å; R341-V343 PolarHBondContact O-N 3.05Å; R341-S517 PolarHBondContact O-OG 2.74Å; R341-Q593 PolarHBondContact NH1-O 3.08Å; R341-G594 PolarHBondContact NH1-O 2.85Å; R341-G594 PolarHBondContact NH2-O 3.04Å
342F52.5Low56Low32 Ų3228.1 Ų28.114%0.1415%0.151CC..  trans-52.9128.3172.8-157.6-108000110.8C337 F340 F344 S345 Y490 S517 A520 F523C337-F342 WeakPolarHBondContact O-CB 3.35Å; C337-F342 PolarHBondContact O-N 3.12Å; F340-F342 VanDerWaalsContact C-N 3.31Å; F340-F342 PolarHBondContact O-N 3.29Å; F342-F344 PolarHBondContact O-N 3.47Å; F342-S345 PolarHBondContact O-N 2.67Å; F342-Y490 AromaticContact CD2-CE1 3.94Å; F342-Y490 HydrophobicContact CD2-CE1 3.94Å; F342-Y490 HydrophobicContact CD2-CE2 4.24Å; F342-Y490 AromaticContact CD2-CZ 3.62Å; F342-Y490 WeakPolarHBondContact CD2-OH 3.46Å; F342-Y490 HydrophobicContact CE2-CE1 4.26Å; F342-S517 WeakPolarHBondContact CA-OG 3.42Å; F342-A520 HydrophobicContact CE1-CB 3.78Å; F342-A520 HydrophobicContact CZ-CB 3.53Å; F342-A520 VanDerWaalsContact CZ-N 3.32Å; F342-F523 AromaticContact CE2-CE2 3.59Å; F342-F523 HydrophobicContact CE2-CE2 3.59Å; F342-F523 AromaticContact CE2-CZ 3.82Å; F342-F523 HydrophobicContact CE2-CZ 3.82Å; F342-F523 AromaticContact CZ-CE2 3.94Å; F342-F523 HydrophobicContact CZ-CE2 3.94Å
343V46.3Very low56.5Low30 Ų3030.9 Ų30.918%0.18217%0.165CC..THydrogen-bonded Turntrans-58.5134.8179.3-160.10000108.4R341 S345 Y468 S517 F519R341-V343 PolarHBondContact O-N 3.05Å; V343-S345 PolarHBondContact O-N 3.42Å; V343-Y468 HydrophobicContact CG2-CE2 4.19Å; V343-Y468 WeakPolarHBondContact CG2-OH 3.29Å; V343-S517 WeakPolarHBondContact CG2-OG 3.45Å; V343-S517 PolarHBondContact N-OG 3.29Å; V343-F519 HydrophobicContact CB-CD1 4.18Å; V343-F519 HydrophobicContact CB-CE1 4.01Å; V343-F519 HydrophobicContact CG1-CE1 4.03Å; V343-F519 HydrophobicContact CG2-CD1 4.34Å; V343-F519 HydrophobicContact CG2-CE1 4.06Å
344F46.7Very low57Low43 Ų4333.3 Ų33.319%0.18917%0.173CC..THydrogen-bonded Turntrans77.3-6.2-174.1-45-68.3000118F342 N346 F394 C397 L459 F519F342-F344 PolarHBondContact O-N 3.47Å; F344-N346 PolarHBondContact O-N 2.99Å; F344-N346 VanDerWaalsContact O-N 3.11Å; F344-F394 AromaticContact CD2-CD2 3.79Å; F344-F394 HydrophobicContact CD2-CD2 3.79Å; F344-F394 HydrophobicContact CD2-CE2 4.2Å; F344-F394 HydrophobicContact CE1-CD2 4.45Å; F344-F394 HydrophobicContact CE1-CE2 4.39Å; F344-F394 AromaticContact CE2-CD2 3.43Å; F344-F394 HydrophobicContact CE2-CD2 3.43Å; F344-F394 VanDerWaalsContact CE2-CD2 3.43Å; F344-F394 AromaticContact CE2-CE2 3.37Å; F344-F394 HydrophobicContact CE2-CE2 3.37Å; F344-F394 HydrophobicContact CG-CD2 4.46Å; F344-F394 AromaticContact CZ-CD2 3.82Å; F344-F394 HydrophobicContact CZ-CD2 3.82Å; F344-F394 AromaticContact CZ-CE2 3.49Å; F344-F394 HydrophobicContact CZ-CE2 3.49Å; F344-F394 VanDerWaalsContact CZ-CE2 3.49Å; F344-C397 HydrophobicContact CD1-CB 4.08Å; F344-L459 HydrophobicContact CE1-CD1 3.74Å; F344-L459 HydrophobicContact CZ-CD1 3.58Å; F344-L459 HydrophobicContact CZ-CD2 3.74Å; F344-L459 HydrophobicContact CZ-CG 4.27Å; F344-F519 AromaticContact CE2-CD1 3.89Å; F344-F519 HydrophobicContact CE2-CD1 3.89Å; F344-F519 AromaticContact CE2-CE1 3.8Å; F344-F519 HydrophobicContact CE2-CE1 3.8Å; F344-F519 HydrophobicContact CZ-CE1 4.35Å
345S48.2Very low57.6Low34 Ų3435.2 Ų35.224%0.23818%0.183CC..  trans-8770.9174.6-71.40000112.6F342 V343F342-S345 PolarHBondContact O-N 2.67Å; V343-S345 PolarHBondContact O-N 3.42Å
346N49.8Very low58.4Low54 Ų5435.8 Ų35.829%0.28919%0.186SC..  trans-97.1125.8165.8-67.3-56.7000110.2F344 S348 E349 K588F344-N346 PolarHBondContact O-N 2.99Å; F344-N346 VanDerWaalsContact O-N 3.11Å; N346-S348 PolarHBondContact O-N 2.86Å; N346-S348 VanDerWaalsContact O-N 3.07Å; N346-E349 PolarHBondContact O-N 3.47Å; N346-K588 PolarHBondContact OD1-NZ 3.37Å
347F48Very low59.4Low17 Ų1741.6 Ų41.68%0.07521%0.211CC..G310 helixtrans-50-34.7171.3-74.1-66.7000112.8M1 F6 F335 I338 E349 G350 I352M1-F347 HydrophobicContact CG-CE2 4.33Å; M1-F347 HydrophobicContact SD-CE2 3.57Å; M1-F347 VanDerWaalsContact SD-CE2 3.57Å; M1-F347 HydrophobicContact SD-CZ 4.08Å; F6-F347 HydrophobicContact CB-CD2 4.35Å; F6-F347 HydrophobicContact CB-CE2 3.9Å; F6-F347 HydrophobicContact CB-CZ 4.21Å; F6-F347 HydrophobicContact CD2-CD1 4.14Å; F6-F347 AromaticContact CD2-CE1 3.5Å; F6-F347 HydrophobicContact CD2-CE1 3.5Å; F6-F347 AromaticContact CD2-CE2 3.94Å; F6-F347 HydrophobicContact CD2-CE2 3.94Å; F6-F347 AromaticContact CD2-CZ 3.39Å; F6-F347 HydrophobicContact CD2-CZ 3.39Å; F6-F347 AromaticContact CE2-CE1 3.97Å; F6-F347 HydrophobicContact CE2-CE1 3.97Å; F6-F347 HydrophobicContact CE2-CZ 4.1Å; F6-F347 HydrophobicContact CG-CE2 4.26Å; F6-F347 HydrophobicContact CG-CZ 4.06Å; F335-F347 HydrophobicContact CD2-CZ 4.15Å; F335-F347 HydrophobicContact CE2-CZ 4.42Å; I338-F347 HydrophobicContact CB-CE2 4.38Å; I338-F347 HydrophobicContact CB-CZ 4.21Å; I338-F347 HydrophobicContact CD1-CD1 3.98Å; I338-F347 HydrophobicContact CD1-CE1 3.34Å; I338-F347 HydrophobicContact CD1-CE2 4.33Å; I338-F347 HydrophobicContact CD1-CZ 3.54Å; I338-F347 HydrophobicContact CG1-CZ 4.45Å; I338-F347 HydrophobicContact CG2-CD2 3.97Å; I338-F347 HydrophobicContact CG2-CE2 3.58Å; I338-F347 HydrophobicContact CG2-CZ 3.88Å; F347-E349 PolarHBondContact O-N 2.59Å; F347-G350 PolarHBondContact O-N 3.09Å; F347-I352 HydrophobicContact CD1-CD1 4.13Å; F347-I352 HydrophobicContact CD1-CG1 4.31Å; F347-I352 HydrophobicContact CE1-CD1 3.55Å; F347-I352 HydrophobicContact CE1-CG1 3.89Å
348S49Very low60.6Low36 Ų3641.3 Ų41.325%0.25221%0.207SC..G310 helixtrans-63.72.1178.963.10000115.4N346 F696N346-S348 PolarHBondContact O-N 2.86Å; N346-S348 VanDerWaalsContact O-N 3.07Å; S348-F696 VanDerWaalsContact CA-CD1 3.49Å; S348-F696 VanDerWaalsContact CA-CE1 3.46Å; S348-F696 WeakPolarHBondContact O-CD1 3.26Å
349E57.3Low61.8Low51 Ų5140.7 Ų40.724%0.23820%0.204CC..G310 helixtrans-122.114.3174.4-62.7-172.3-139.500112.4N346 F347 R354 R400N346-E349 PolarHBondContact O-N 3.47Å; F347-E349 PolarHBondContact O-N 2.59Å; E349-R354 PolarHBondContact O-NH1 3.14Å; E349-R354 PolarHBondContact O-NH2 2.87Å; E349-R400 IonicContact OE2-CZ 3.2Å; E349-R400 VanDerWaalsContact OE2-CZ 3.25Å; E349-R400 IonicContact OE2-NE 2.78Å; E349-R400 PolarHBondContact OE2-NE 2.69Å; E349-R400 IonicContact OE2-NH2 3.62Å; E349-R400 PolarHBondContact OE2-NH2 3.18Å
350G64.3Low63.3Low15 Ų1540.8 Ų40.816%0.15520%0.2CC..  trans70.946.8-177.900000112.6F347 R354F347-G350 PolarHBondContact O-N 3.09Å; G350-R354 PolarHBondContact O-N 3.35Å; G350-R354 PolarHBondContact O-NH1 2.84Å
351A65.7Low64.8Low11 Ų1141.6 Ų41.69%0.09121%0.205CC..Hα-helixtrans-68.8-41.1-17700000112.8R354 L355A351-R354 PolarHBondContact O-N 2.88Å; A351-L355 PolarHBondContact O-N 3.08Å
352I70.7Confident66.1Low8 Ų837 Ų374%0.04119%0.188CC..Hα-helixtrans-61.5-49.1175.6-76.1174.6000110.6F6 W9 I338 F347 R354 L355 I356F6-I352 HydrophobicContact CE2-CD1 3.88Å; W9-I352 HydrophobicContact CE3-CD1 4.04Å; W9-I352 HydrophobicContact CH2-CB 3.9Å; W9-I352 HydrophobicContact CH2-CD1 3.53Å; W9-I352 HydrophobicContact CH2-CG1 4.3Å; W9-I352 HydrophobicContact CH2-CG2 3.73Å; W9-I352 HydrophobicContact CZ2-CB 3.94Å; W9-I352 HydrophobicContact CZ2-CD1 4.22Å; W9-I352 HydrophobicContact CZ2-CG2 4.08Å; W9-I352 HydrophobicContact CZ3-CD1 3.41Å; W9-I352 VanDerWaalsContact CZ3-CD1 3.41Å; I338-I352 HydrophobicContact CD1-CG1 4.35Å; F347-I352 HydrophobicContact CD1-CD1 4.13Å; F347-I352 HydrophobicContact CD1-CG1 4.31Å; F347-I352 HydrophobicContact CE1-CD1 3.55Å; F347-I352 HydrophobicContact CE1-CG1 3.89Å; I352-R354 PolarHBondContact O-N 2.98Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.06Å; I352-L355 WeakPolarHBondContact O-CB 3.4Å; I352-L355 PolarHBondContact O-N 3.26Å; I352-I356 HydrophobicContact CG2-CD1 3.51Å; I352-I356 HydrophobicContact CG2-CG1 4.02Å; I352-I356 WeakPolarHBondContact O-CG1 3.07Å; I352-I356 PolarHBondContact O-N 3.34Å
353D75.4Confident67.6Low61 Ų6135.5 Ų35.533%0.32618%0.181SC..Hα-helixtrans-63.8-33.9-174.2-46-75.7000111.5K13 K357K13-D353 IonicContact NZ-OD1 3.55Å; K13-D353 PolarHBondContact NZ-OD1 3.45Å; D353-K357 PolarHBondContact O-N 3.41Å; D353-K357 VanDerWaalsContact O-N 3.11Å
354R73.6Confident69.5Low67 Ų6739.2 Ų39.225%0.25319%0.193SC..Hα-helixtrans-65.2-42.9168.4-86.3-166.9-64.1-72.5-0.8113.4E349 G350 A351 I352 K357 L358E349-R354 PolarHBondContact O-NH1 3.14Å; E349-R354 PolarHBondContact O-NH2 2.87Å; G350-R354 PolarHBondContact O-N 3.35Å; G350-R354 PolarHBondContact O-NH1 2.84Å; A351-R354 PolarHBondContact O-N 2.88Å; I352-R354 PolarHBondContact O-N 2.98Å; R354-K357 PolarHBondContact O-N 3.07Å; R354-L358 WeakPolarHBondContact O-CB 3.15Å; R354-L358 PolarHBondContact O-N 3.3Å
355L74.3Confident71.3Confident44 Ų4444.2 Ų44.223%0.2321%0.214CC..Hα-helixtrans-65.1-43.4179.2-16986.3000111.3L330 A351 I352 K357 L358 Y359L330-L355 HydrophobicContact CD1-CD2 4.36Å; L330-L355 HydrophobicContact CG-CD2 4.45Å; A351-L355 PolarHBondContact O-N 3.08Å; I352-L355 CarbonylContact O-C 3.58Å; I352-L355 WeakPolarHBondContact O-CA 3.06Å; I352-L355 WeakPolarHBondContact O-CB 3.4Å; I352-L355 PolarHBondContact O-N 3.26Å; L355-K357 VanDerWaalsContact C-N 3.35Å; L355-K357 PolarHBondContact O-N 3.28Å; L355-L358 WeakPolarHBondContact O-CB 3.47Å; L355-L358 PolarHBondContact O-N 2.84Å; L355-Y359 WeakPolarHBondContact O-CB 3.34Å; L355-Y359 PolarHBondContact O-N 3.23Å
356I78Confident73.2Confident13 Ų1344.3 Ų44.37%0.06721%0.213CC..Hα-helixtrans-57.2-49.7174.1-67.9171.3000109.5L313 L330 I352 L358 Y359 K360L313-I356 HydrophobicContact CD2-CD1 3.8Å; L313-I356 HydrophobicContact CD2-CG1 3.88Å; L313-I356 HydrophobicContact CD2-CG2 3.83Å; L330-I356 HydrophobicContact CD2-CG1 4.06Å; I352-I356 HydrophobicContact CG2-CD1 3.51Å; I352-I356 HydrophobicContact CG2-CG1 4.02Å; I352-I356 WeakPolarHBondContact O-CG1 3.07Å; I352-I356 PolarHBondContact O-N 3.34Å; I356-L358 PolarHBondContact O-N 3.23Å; I356-Y359 PolarHBondContact O-N 2.88Å; I356-K360 HydrophobicContact CG2-CD 4.47Å; I356-K360 HydrophobicContact CG2-CG 4.49Å; I356-K360 WeakPolarHBondContact O-CG 3.45Å; I356-K360 PolarHBondContact O-N 3.08Å
357K81.1Confident74.9Confident125 Ų12543.7 Ų43.754%0.54322%0.22SC..Hα-helixtrans-57.4-50176.2179.9174.7175.8172.40112.3D353 R354 L355 Y359 K360 E361D353-K357 PolarHBondContact O-N 3.41Å; D353-K357 VanDerWaalsContact O-N 3.11Å; R354-K357 PolarHBondContact O-N 3.07Å; L355-K357 VanDerWaalsContact C-N 3.35Å; L355-K357 PolarHBondContact O-N 3.28Å; K357-Y359 VanDerWaalsContact C-N 3.28Å; K357-Y359 PolarHBondContact O-N 3.41Å; K357-K360 PolarHBondContact O-N 3.49Å; K357-E361 WeakPolarHBondContact CE-OE1 3.26Å; K357-E361 PolarHBondContact O-N 2.86Å
358L78.2Confident76.8Confident17 Ų1743 Ų439%0.08922%0.218CC..Hα-helixtrans-56-42.1177.8-103.7168.3000112.4R354 L355 I356 E361 C362 I384 I389R354-L358 WeakPolarHBondContact O-CB 3.15Å; R354-L358 PolarHBondContact O-N 3.3Å; L355-L358 WeakPolarHBondContact O-CB 3.47Å; L355-L358 PolarHBondContact O-N 2.84Å; I356-L358 PolarHBondContact O-N 3.23Å; L358-E361 PolarHBondContact O-N 2.71Å; L358-C362 WeakPolarHBondContact O-CB 3.12Å; L358-C362 PolarHBondContact O-N 3.19Å; L358-I384 HydrophobicContact CB-CG2 4.3Å; L358-I384 HydrophobicContact CD1-CG2 4.32Å; L358-I384 HydrophobicContact CD2-CG2 4.32Å; L358-I389 HydrophobicContact CD1-CB 4.13Å; L358-I389 HydrophobicContact CD1-CG2 3.83Å; L358-I389 HydrophobicContact CD2-CB 3.83Å; L358-I389 HydrophobicContact CD2-CD1 4.18Å; L358-I389 HydrophobicContact CD2-CG1 4.43Å; L358-I389 HydrophobicContact CD2-CG2 4.37Å; L358-I389 HydrophobicContact CG-CB 3.86Å; L358-I389 HydrophobicContact CG-CD1 4.13Å; L358-I389 HydrophobicContact CG-CG2 3.82Å
359Y79.4Confident78.6Confident1 Ų142.8 Ų42.80%0.00421%0.212CC..Hα-helixtrans-71.3-42178.5177.9-132.5000112.1W327 L330 L355 I356 K357 E361 C362 V363 Y369 L370 I384W327-Y359 HydrophobicContact CD2-CD1 4.48Å; W327-Y359 AromaticContact CD2-CE1 3.84Å; W327-Y359 HydrophobicContact CD2-CE1 3.84Å; W327-Y359 AromaticContact CE2-CE1 3.96Å; W327-Y359 AromaticContact CE3-CD1 3.75Å; W327-Y359 HydrophobicContact CE3-CD1 3.75Å; W327-Y359 AromaticContact CE3-CE1 3.49Å; W327-Y359 HydrophobicContact CE3-CE1 3.49Å; W327-Y359 VanDerWaalsContact CE3-CE1 3.49Å; W327-Y359 AromaticContact CH2-CD1 3.2Å; W327-Y359 HydrophobicContact CH2-CD1 3.2Å; W327-Y359 AromaticContact CH2-CE1 3.34Å; W327-Y359 HydrophobicContact CH2-CE1 3.34Å; W327-Y359 HydrophobicContact CH2-CG 4.11Å; W327-Y359 HydrophobicContact CZ2-CD1 4.01Å; W327-Y359 AromaticContact CZ2-CE1 3.68Å; W327-Y359 HydrophobicContact CZ2-CE1 3.68Å; W327-Y359 AromaticContact CZ3-CD1 3.11Å; W327-Y359 HydrophobicContact CZ3-CD1 3.11Å; W327-Y359 AromaticContact CZ3-CE1 3.32Å; W327-Y359 HydrophobicContact CZ3-CE1 3.32Å; W327-Y359 HydrophobicContact CZ3-CG 4.28Å; L330-Y359 HydrophobicContact CB-CD1 4.02Å; L330-Y359 HydrophobicContact CB-CE1 3.89Å; L330-Y359 HydrophobicContact CD1-CD1 3.39Å; L330-Y359 HydrophobicContact CD1-CD2 4.11Å; L330-Y359 HydrophobicContact CD1-CE1 3.89Å; L330-Y359 HydrophobicContact CD1-CG 3.46Å; L330-Y359 VanDerWaalsContact CD1-CG 3.46Å; L330-Y359 HydrophobicContact CD2-CD1 3.36Å; L330-Y359 HydrophobicContact CD2-CE1 4.05Å; L330-Y359 HydrophobicContact CD2-CG 4.07Å; L330-Y359 HydrophobicContact CG-CD1 3.72Å; L330-Y359 HydrophobicContact CG-CE1 4.11Å; L330-Y359 HydrophobicContact CG-CG 4.27Å; L355-Y359 WeakPolarHBondContact O-CB 3.34Å; L355-Y359 PolarHBondContact O-N 3.23Å; I356-Y359 PolarHBondContact O-N 2.88Å; K357-Y359 VanDerWaalsContact C-N 3.28Å; K357-Y359 PolarHBondContact O-N 3.41Å; Y359-E361 VanDerWaalsContact C-N 3.26Å; Y359-E361 PolarHBondContact O-N 2.94Å; Y359-C362 WeakPolarHBondContact O-CB 3.23Å; Y359-C362 PolarHBondContact O-N 3Å; Y359-V363 HydrophobicContact CD1-CG2 4.36Å; Y359-V363 HydrophobicContact CD2-CG2 3.55Å; Y359-V363 HydrophobicContact CE1-CG2 4.14Å; Y359-V363 HydrophobicContact CE2-CG2 3.19Å; Y359-V363 HydrophobicContact CG-CG2 4.15Å; Y359-V363 VanDerWaalsContact O-CG2 3.29Å; Y359-V363 WeakPolarHBondContact O-CG2 3.46Å; Y359-V363 PolarHBondContact O-N 2.84Å; Y359-Y369 WeakPolarHBondContact OH-CA 3.22Å; Y359-L370 HydrophobicContact CD2-CD1 3.41Å; Y359-L370 VanDerWaalsContact CD2-CD1 3.41Å; Y359-L370 HydrophobicContact CD2-CG 3.65Å; Y359-L370 HydrophobicContact CE2-CB 3.85Å; Y359-L370 HydrophobicContact CE2-CD1 3.53Å; Y359-L370 HydrophobicContact CE2-CG 3.4Å; Y359-L370 HydrophobicContact CG-CD1 4.1Å; Y359-L370 PolarHBondContact OH-N 3.13Å; Y359-I384 HydrophobicContact CD2-CD1 4.05Å
360K83.5Confident79.9Confident52 Ų5240.7 Ų40.723%0.22620%0.202CC..Hα-helixtrans-54.7-44.8172.6-66.9-168.9179.2-168.70111.2D312 Q314 I315 W327 I356 K357 C362 V363 Y364D312-K360 VanDerWaalsContact O-CE 3.31Å; D312-K360 WeakPolarHBondContact O-CE 3.35Å; D312-K360 PolarHBondContact O-NZ 3.31Å; Q314-K360 WeakPolarHBondContact O-CE 3.18Å; Q314-K360 PolarHBondContact O-NZ 3.49Å; I315-K360 HydrophobicContact CD1-CB 3.83Å; I315-K360 HydrophobicContact CD1-CD 4.42Å; I315-K360 HydrophobicContact CD1-CG 3.73Å; I315-K360 HydrophobicContact CG1-CB 4.36Å; I315-K360 HydrophobicContact CG1-CD 4.02Å; I315-K360 HydrophobicContact CG1-CG 3.84Å; W327-K360 HydrophobicContact CH2-CG 3.78Å; W327-K360 HydrophobicContact CZ3-CG 4.21Å; I356-K360 HydrophobicContact CG2-CD 4.47Å; I356-K360 HydrophobicContact CG2-CG 4.49Å; I356-K360 WeakPolarHBondContact O-CG 3.45Å; I356-K360 PolarHBondContact O-N 3.08Å; K357-K360 PolarHBondContact O-N 3.49Å; K360-C362 PolarHBondContact O-N 3.37Å; K360-V363 PolarHBondContact O-N 3.36Å; K360-Y364 WeakPolarHBondContact O-CD2 3.43Å; K360-Y364 PolarHBondContact O-N 3.1Å
361E82.9Confident81Confident63 Ų6340.4 Ų40.429%0.29420%0.197SC..Hα-helixtrans-63.6-37.8174.3-70.2177.9-156.300113.5K357 L358 Y359 K365 I389K357-E361 WeakPolarHBondContact CE-OE1 3.26Å; K357-E361 PolarHBondContact O-N 2.86Å; L358-E361 PolarHBondContact O-N 2.71Å; Y359-E361 VanDerWaalsContact C-N 3.26Å; Y359-E361 PolarHBondContact O-N 2.94Å; E361-K365 WeakPolarHBondContact O-CD 3.4Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.48Å; E361-K365 PolarHBondContact O-N 3.46Å; E361-I389 VanDerWaalsContact OE1-CD1 3.3Å; E361-I389 WeakPolarHBondContact OE1-CD1 3.24Å; E361-I389 WeakPolarHBondContact OE2-CD1 3.41Å
362C82.9Confident82.1Confident3 Ų347 Ų472%0.0222%0.224CC..Hα-helixtrans-67.8-42.4175.8-177.80000112.3L358 Y359 K360 Y364 K365 T366 R380 V383 I384L358-C362 WeakPolarHBondContact O-CB 3.12Å; L358-C362 PolarHBondContact O-N 3.19Å; Y359-C362 WeakPolarHBondContact O-CB 3.23Å; Y359-C362 PolarHBondContact O-N 3Å; K360-C362 PolarHBondContact O-N 3.37Å; C362-Y364 PolarHBondContact O-N 3.18Å; C362-K365 PolarHBondContact O-N 3.11Å; C362-K365 VanDerWaalsContact O-N 3.11Å; C362-T366 WeakPolarHBondContact O-CB 3.28Å; C362-T366 WeakPolarHBondContact O-CG2 3.34Å; C362-T366 PolarHBondContact O-N 2.79Å; C362-T366 PolarHBondContact O-OG1 3.22Å; C362-R380 PolarHBondContact SG-O 2.89Å; C362-V383 HydrophobicContact CB-CG1 4.43Å; C362-I384 HydrophobicContact CB-CD1 3.92Å; C362-I384 HydrophobicContact CB-CG1 3.5Å; C362-I384 VanDerWaalsContact CB-CG1 3.5Å
363V84.7Confident82.8Confident0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-61.6-44.8-178.7172.30000111I315 L318 F320 W327 Y359 K360 K365 T366 G367I315-V363 HydrophobicContact CD1-CB 4.11Å; I315-V363 HydrophobicContact CD1-CG1 4.09Å; L318-V363 HydrophobicContact CD2-CG1 3.65Å; F320-V363 HydrophobicContact CE1-CG1 3.99Å; F320-V363 HydrophobicContact CZ-CG1 3.5Å; F320-V363 VanDerWaalsContact CZ-CG1 3.5Å; W327-V363 HydrophobicContact CH2-CG2 4.31Å; W327-V363 HydrophobicContact CZ2-CG2 4.01Å; Y359-V363 HydrophobicContact CD1-CG2 4.36Å; Y359-V363 HydrophobicContact CD2-CG2 3.55Å; Y359-V363 HydrophobicContact CE1-CG2 4.14Å; Y359-V363 HydrophobicContact CE2-CG2 3.19Å; Y359-V363 HydrophobicContact CG-CG2 4.15Å; Y359-V363 VanDerWaalsContact O-CG2 3.29Å; Y359-V363 WeakPolarHBondContact O-CG2 3.46Å; Y359-V363 PolarHBondContact O-N 2.84Å; K360-V363 PolarHBondContact O-N 3.36Å; V363-K365 VanDerWaalsContact C-N 3.31Å; V363-K365 PolarHBondContact O-N 3.01Å; V363-T366 PolarHBondContact O-N 2.83Å; V363-G367 PolarHBondContact O-N 3.2Å; V363-G367 VanDerWaalsContact O-N 3.08Å
364Y85.5Confident83.3Confident108 Ų10846.8 Ų46.842%0.42422%0.221SC..Hα-helixtrans-59.1-39172.6-77-61.2000112.9I315 P316 L318 K360 C362I315-Y364 HydrophobicContact CG2-CD1 4.46Å; I315-Y364 HydrophobicContact CG2-CD2 4.49Å; I315-Y364 HydrophobicContact CG2-CE1 3.63Å; I315-Y364 HydrophobicContact CG2-CE2 3.69Å; I315-Y364 WeakPolarHBondContact CG2-OH 3.48Å; P316-Y364 PolarHBondContact O-OH 3.19Å; L318-Y364 HydrophobicContact CD2-CD1 4.38Å; L318-Y364 HydrophobicContact CD2-CE1 4.39Å; K360-Y364 WeakPolarHBondContact O-CD2 3.43Å; K360-Y364 PolarHBondContact O-N 3.1Å; C362-Y364 PolarHBondContact O-N 3.18Å
365K85.8Confident84Confident149 Ų14948.2 Ų48.265%0.64823%0.227SC*.Hα-helixtrans-77.2-29.6-178.4-72.3170.9-175.5168.50114.3E361 C362 V363E361-K365 WeakPolarHBondContact O-CD 3.4Å; E361-K365 VanDerWaalsContact O-CG 3.31Å; E361-K365 WeakPolarHBondContact O-CG 3.48Å; E361-K365 PolarHBondContact O-N 3.46Å; C362-K365 PolarHBondContact O-N 3.11Å; C362-K365 VanDerWaalsContact O-N 3.11Å; V363-K365 VanDerWaalsContact C-N 3.31Å; V363-K365 PolarHBondContact O-N 3.01Å
366T87.1Confident84.7Confident35 Ų3547.3 Ų47.322%0.21522%0.223CC..Hα-helixtrans-114.43.3-16861.90000114.3C362 V363 G368 R380 V383C362-T366 WeakPolarHBondContact O-CB 3.28Å; C362-T366 WeakPolarHBondContact O-CG2 3.34Å; C362-T366 PolarHBondContact O-N 2.79Å; C362-T366 PolarHBondContact O-OG1 3.22Å; V363-T366 PolarHBondContact O-N 2.83Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.29Å; T366-R380 HydrophobicContact CG2-CG 4.13Å; T366-R380 PolarHBondContact O-NE 2.93Å; T366-R380 PolarHBondContact O-NH2 3.31Å; T366-V383 HydrophobicContact CG2-CB 4.2Å; T366-V383 HydrophobicContact CG2-CG1 4.12Å; T366-V383 HydrophobicContact CG2-CG2 3.93Å
367G86.2Confident85.2Confident41 Ų4149.8 Ų49.842%0.42324%0.236SC..THydrogen-bonded Turntrans60.533.8173.900000114.1F320 V363 R380F320-G367 VanDerWaalsContact CE1-C 3.41Å; V363-G367 PolarHBondContact O-N 3.2Å; V363-G367 VanDerWaalsContact O-N 3.08Å; G367-R380 PolarHBondContact O-NH2 3.43Å
368G86.8Confident85.6Confident4 Ų444.5 Ų44.54%0.04121%0.214CC..SBendtrans163-179.4173.800000115.7F320 T366 R380F320-G368 VanDerWaalsContact CE1-N 3.34Å; T366-G368 VanDerWaalsContact C-N 3.3Å; T366-G368 PolarHBondContact O-N 3.29Å; G368-R380 VanDerWaalsContact C-CZ 3.5Å
369Y86.6Confident86.2Confident31 Ų3146.3 Ų46.312%0.12223%0.231CC..  trans-70.8155.2-173.6-51.8-79.2000114.4F320 Q321 Y322 D323 V326 W327 Y359 T371 R380F320-Y369 HydrophobicContact CD2-CE2 4.13Å; F320-Y369 HydrophobicContact CE2-CD2 4.4Å; F320-Y369 HydrophobicContact CE2-CE1 4.2Å; F320-Y369 AromaticContact CE2-CE2 3.68Å; F320-Y369 HydrophobicContact CE2-CE2 3.68Å; F320-Y369 AromaticContact CE2-CZ 3.56Å; F320-Y369 WeakPolarHBondContact CE2-OH 3.36Å; Q321-Y369 PolarHBondContact O-OH 2.96Å; Y322-Y369 WeakPolarHBondContact CA-OH 3.43Å; D323-Y369 HydrophobicContact CB-CE2 4.48Å; D323-Y369 PolarHBondContact N-OH 3.13Å; V326-Y369 HydrophobicContact CB-CD1 3.91Å; V326-Y369 HydrophobicContact CB-CD2 4.22Å; V326-Y369 HydrophobicContact CB-CE1 4.17Å; V326-Y369 HydrophobicContact CB-CE2 4.49Å; V326-Y369 HydrophobicContact CB-CG 3.95Å; V326-Y369 VanDerWaalsContact CG1-CB 3.44Å; V326-Y369 HydrophobicContact CG1-CD1 3.71Å; V326-Y369 HydrophobicContact CG1-CD2 3.85Å; V326-Y369 HydrophobicContact CG1-CE1 4.44Å; V326-Y369 HydrophobicContact CG1-CG 3.37Å; W327-Y369 AromaticContact CD1-CE1 3.63Å; W327-Y369 AromaticContact NE1-CE1 3.5Å; Y359-Y369 WeakPolarHBondContact OH-CA 3.22Å; Y369-T371 PolarHBondContact O-N 3.22Å; Y369-R380 WeakPolarHBondContact O-CD 3.41Å; Y369-R380 PolarHBondContact O-NH1 3.26Å
370L85.7Confident86.5Confident6 Ų649 Ų493%0.03124%0.241CC..SBendtrans-66.9-25.3171.8-83.9166.3000113.3L330 I333 Y359 N377 R380 V381 I384L330-L370 HydrophobicContact CD1-CD1 3.67Å; I333-L370 HydrophobicContact CD1-CB 4.19Å; I333-L370 HydrophobicContact CD1-CD1 4.15Å; Y359-L370 HydrophobicContact CD2-CD1 3.41Å; Y359-L370 VanDerWaalsContact CD2-CD1 3.41Å; Y359-L370 HydrophobicContact CD2-CG 3.65Å; Y359-L370 HydrophobicContact CE2-CB 3.85Å; Y359-L370 HydrophobicContact CE2-CD1 3.53Å; Y359-L370 HydrophobicContact CE2-CG 3.4Å; Y359-L370 HydrophobicContact CG-CD1 4.1Å; Y359-L370 PolarHBondContact OH-N 3.13Å; L370-N377 PolarHBondContact O-N 2.97Å; L370-R380 HydrophobicContact CD2-CB 3.84Å; L370-V381 HydrophobicContact CD2-CB 4.37Å; L370-V381 HydrophobicContact CD2-CG2 3.74Å; L370-I384 HydrophobicContact CD1-CD1 3.56Å; L370-I384 HydrophobicContact CD2-CD1 3.79Å; L370-I384 HydrophobicContact CG-CD1 3.99Å
371T87.4Confident86.5Confident9 Ų947.2 Ų47.26%0.05524%0.235CC..EExtended strand (participates in β ladder)trans-131.2150-165.146.80000112.2V326 A329 I333 Y369 Y375 L376 L498V326-T371 VanDerWaalsContact CG1-O 3.25Å; V326-T371 WeakPolarHBondContact CG1-O 3.33Å; A329-T371 HydrophobicContact CB-CG2 4.07Å; A329-T371 VanDerWaalsContact CB-OG1 3.31Å; A329-T371 WeakPolarHBondContact CB-OG1 3.37Å; I333-T371 HydrophobicContact CD1-CG2 3.43Å; I333-T371 VanDerWaalsContact CD1-CG2 3.43Å; I333-T371 HydrophobicContact CG1-CG2 4.32Å; Y369-T371 PolarHBondContact O-N 3.22Å; T371-Y375 CarbonylContact C-O 3.5Å; T371-Y375 VanDerWaalsContact CA-O 3.27Å; T371-Y375 WeakPolarHBondContact CA-O 3.34Å; T371-L376 HydrophobicContact CG2-CD2 4.08Å; T371-L498 HydrophobicContact CG2-CD2 3.64Å
372K87.5Confident86.6Confident150 Ų15045.1 Ų45.165%0.65223%0.225SC*.EExtended strand (participates in β ladder)trans-142120.7163.7-173.2175.5-179.1-177.60108.8G374 Y375K372-G374 VanDerWaalsContact C-N 3.28Å; K372-G374 PolarHBondContact O-N 2.87Å; K372-G374 VanDerWaalsContact O-N 3.15Å; K372-Y375 PolarHBondContact N-O 3.36Å; K372-Y375 WeakPolarHBondContact O-CB 3.36Å; K372-Y375 PolarHBondContact O-N 3.07Å
373H85.8Confident86.6Confident63 Ų6347.5 Ų47.529%0.29224%0.239SC..THydrogen-bonded Turntrans48.539.1178.4-51.4-50.1000116.1Y375 Q503 S670H373-Y375 WeakPolarHBondContact O-CD2 3.46Å; H373-Q503 PolarHBondContact O-NE2 3.44Å; H373-S670 WeakPolarHBondContact CA-OG 3.36Å
374G85.7Confident86.2Confident2 Ų248.2 Ų48.22%0.02124%0.243CC..THydrogen-bonded Turntrans84.63.6-177.100000115.9K372 L498K372-G374 VanDerWaalsContact C-N 3.28Å; K372-G374 PolarHBondContact O-N 2.87Å; K372-G374 VanDerWaalsContact O-N 3.15Å; G374-L498 VanDerWaalsContact O-CD2 3.28Å; G374-L498 WeakPolarHBondContact O-CD2 3.31Å; G374-L498 WeakPolarHBondContact O-CG 3.47Å
375Y89.4Confident85.7Confident97 Ų9744.5 Ų44.538%0.3823%0.23SC..EExtended strand (participates in β ladder)trans-101.5134.3174.3-64.5-104.6000110.7T371 K372 H373 Q503 L667T371-Y375 CarbonylContact C-O 3.5Å; T371-Y375 VanDerWaalsContact CA-O 3.27Å; T371-Y375 WeakPolarHBondContact CA-O 3.34Å; K372-Y375 PolarHBondContact N-O 3.36Å; K372-Y375 WeakPolarHBondContact O-CB 3.36Å; K372-Y375 PolarHBondContact O-N 3.07Å; H373-Y375 WeakPolarHBondContact O-CD2 3.46Å; Y375-Q503 HydrophobicContact CE2-CG 4.3Å; Y375-L667 HydrophobicContact CE2-CD2 3.55Å
376L88.3Confident84.9Confident25 Ų2542.4 Ų42.413%0.13123%0.226CC..EExtended strand (participates in β ladder)trans-83.5134.6176.4-76.3171.2000112I333 T371 L378 V381 L494 L498I333-L376 HydrophobicContact CD1-CD2 3.41Å; I333-L376 VanDerWaalsContact CD1-CD2 3.41Å; I333-L376 HydrophobicContact CG1-CD2 3.89Å; T371-L376 HydrophobicContact CG2-CD2 4.08Å; L376-L378 HydrophobicContact CB-CD2 3.88Å; L376-L378 HydrophobicContact CD1-CD2 4.48Å; L376-L378 PolarHBondContact O-N 2.99Å; L376-V381 HydrophobicContact CD2-CG2 4Å; L376-L494 HydrophobicContact CD1-CB 3.91Å; L376-L498 HydrophobicContact CD2-CD2 3.91Å; L376-L498 HydrophobicContact CG-CD2 3.75Å
377N89.6Confident83.7Confident64 Ų6441.4 Ų41.434%0.34222%0.223SC..  trans-85.396.6163.2-176.2-51.6000109L370 A379 R380 V381L370-N377 PolarHBondContact O-N 2.97Å; N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 2.75Å; N377-A379 PolarHBondContact OD1-N 2.79Å; N377-R380 HydrophobicContact CB-CB 4.25Å; N377-R380 HydrophobicContact CB-CG 4.34Å; N377-R380 PolarHBondContact O-N 3.33Å; N377-R380 WeakPolarHBondContact OD1-CG 3.46Å; N377-R380 PolarHBondContact OD1-N 2.85Å; N377-V381 WeakPolarHBondContact O-CG2 3.49Å; N377-V381 PolarHBondContact O-N 2.92Å
378L89.4Confident82.1Confident15 Ų1549.9 Ų49.98%0.07924%0.242CC..Hα-helixtrans-64.7-30.3-173.3-56.9-177.1000113.5L376 R380 V381 Q382 V491 I526 M529 I531L376-L378 HydrophobicContact CB-CD2 3.88Å; L376-L378 HydrophobicContact CD1-CD2 4.48Å; L376-L378 PolarHBondContact O-N 2.99Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 2.9Å; L378-V381 PolarHBondContact O-N 2.98Å; L378-Q382 WeakPolarHBondContact O-CB 3.29Å; L378-Q382 PolarHBondContact O-N 3.08Å; L378-V491 HydrophobicContact CD1-CG1 4.22Å; L378-V491 HydrophobicContact CD2-CG1 3.53Å; L378-V491 HydrophobicContact CG-CG1 4.5Å; L378-I526 VanDerWaalsContact CB-O 3.28Å; L378-I526 WeakPolarHBondContact CB-O 3.43Å; L378-I526 WeakPolarHBondContact CD1-O 3.31Å; L378-M529 HydrophobicContact CD1-CB 3.83Å; L378-M529 VanDerWaalsContact CD1-O 3.29Å; L378-M529 WeakPolarHBondContact CD1-O 3.35Å; L378-I531 HydrophobicContact CD1-CD1 3.89Å; L378-I531 HydrophobicContact CD1-CG1 4.49Å
379A89.2Confident80.3Confident55 Ų5551 Ų5146%0.45525%0.246SC..Hα-helixtrans-63-36.2173.400000111.8N377 Q382 V383N377-A379 VanDerWaalsContact C-N 3.29Å; N377-A379 PolarHBondContact O-N 2.75Å; N377-A379 PolarHBondContact OD1-N 2.79Å; A379-Q382 WeakPolarHBondContact O-CB 3.4Å; A379-V383 PolarHBondContact O-N 2.82Å
380R87.4Confident78.6Confident57 Ų5751.3 Ų51.322%0.21525%0.252CS..Hα-helixtrans-74-37.3172-67.9180172.9152.61112.4C362 T366 G367 G368 Y369 L370 N377 L378 Q382 V383 I384C362-R380 PolarHBondContact SG-O 2.89Å; T366-R380 HydrophobicContact CG2-CG 4.13Å; T366-R380 PolarHBondContact O-NE 2.93Å; T366-R380 PolarHBondContact O-NH2 3.31Å; G367-R380 PolarHBondContact O-NH2 3.43Å; G368-R380 VanDerWaalsContact C-CZ 3.5Å; Y369-R380 WeakPolarHBondContact O-CD 3.41Å; Y369-R380 PolarHBondContact O-NH1 3.26Å; L370-R380 HydrophobicContact CD2-CB 3.84Å; N377-R380 HydrophobicContact CB-CB 4.25Å; N377-R380 HydrophobicContact CB-CG 4.34Å; N377-R380 PolarHBondContact O-N 3.33Å; N377-R380 WeakPolarHBondContact OD1-CG 3.46Å; N377-R380 PolarHBondContact OD1-N 2.85Å; L378-R380 VanDerWaalsContact C-N 3.3Å; L378-R380 PolarHBondContact O-N 2.9Å; R380-Q382 VanDerWaalsContact C-N 3.31Å; R380-Q382 PolarHBondContact O-N 3.12Å; R380-V383 PolarHBondContact O-N 3.19Å; R380-I384 PolarHBondContact O-N 2.85Å
381V83.3Confident76.9Confident15 Ų1554.5 Ų54.59%0.09127%0.274CS..Hα-helixtrans-60-42.9172.8-178.90000110.7L370 L376 N377 L378 V383 I384 L385 I526L370-V381 HydrophobicContact CD2-CB 4.37Å; L370-V381 HydrophobicContact CD2-CG2 3.74Å; L376-V381 HydrophobicContact CD2-CG2 4Å; N377-V381 WeakPolarHBondContact O-CG2 3.49Å; N377-V381 PolarHBondContact O-N 2.92Å; L378-V381 PolarHBondContact O-N 2.98Å; V381-V383 VanDerWaalsContact C-N 3.28Å; V381-V383 PolarHBondContact O-N 2.92Å; V381-I384 PolarHBondContact O-N 3.32Å; V381-I384 VanDerWaalsContact O-N 3.08Å; V381-L385 HydrophobicContact CG1-CD1 3.85Å; V381-L385 HydrophobicContact CG1-CG 4.27Å; V381-L385 WeakPolarHBondContact O-CG 3.42Å; V381-L385 PolarHBondContact O-N 2.76Å; V381-I526 HydrophobicContact CB-CD1 4.18Å; V381-I526 HydrophobicContact CG1-CD1 3.8Å
382Q84.6Confident75.2Confident19 Ų1959.1 Ų59.19%0.08930%0.298CS..Hα-helixtrans-55.7-40.5176-177.568.384.700112.3L378 A379 R380 I384 L385 N386 F523 I526L378-Q382 WeakPolarHBondContact O-CB 3.29Å; L378-Q382 PolarHBondContact O-N 3.08Å; A379-Q382 WeakPolarHBondContact O-CB 3.4Å; R380-Q382 VanDerWaalsContact C-N 3.31Å; R380-Q382 PolarHBondContact O-N 3.12Å; Q382-I384 VanDerWaalsContact C-N 3.33Å; Q382-I384 PolarHBondContact O-N 2.91Å; Q382-L385 PolarHBondContact O-N 3.02Å; Q382-N386 PolarHBondContact NE2-ND2 3.08Å; Q382-N386 VanDerWaalsContact NE2-ND2 3.16Å; Q382-N386 PolarHBondContact NE2-OD1 3.24Å; Q382-N386 VanDerWaalsContact O-CB 3.26Å; Q382-N386 WeakPolarHBondContact O-CB 3.28Å; Q382-N386 PolarHBondContact O-N 3.11Å; Q382-F523 PolarHBondContact NE2-O 2.92Å; Q382-I526 HydrophobicContact CB-CG1 3.97Å; Q382-I526 HydrophobicContact CG-CG1 4.49Å
383V82.3Confident73.5Confident52 Ų5253.3 Ų53.332%0.31528%0.277SS..Hα-helixtrans-65.2-34.6177.81720000112.2C362 T366 A379 R380 V381 G387C362-V383 HydrophobicContact CB-CG1 4.43Å; T366-V383 HydrophobicContact CG2-CB 4.2Å; T366-V383 HydrophobicContact CG2-CG1 4.12Å; T366-V383 HydrophobicContact CG2-CG2 3.93Å; A379-V383 PolarHBondContact O-N 2.82Å; R380-V383 PolarHBondContact O-N 3.19Å; V381-V383 VanDerWaalsContact C-N 3.28Å; V381-V383 PolarHBondContact O-N 2.92Å; V383-G387 PolarHBondContact O-N 3.42Å; V383-G387 VanDerWaalsContact O-N 3.12Å
384I77Confident72.2Confident15 Ų1551.8 Ų51.88%0.07727%0.27CS..Hα-helixtrans-71.2-44.6175.2-68.7179.2000111.3L358 Y359 C362 L370 R380 V381 Q382 G387L358-I384 HydrophobicContact CB-CG2 4.3Å; L358-I384 HydrophobicContact CD1-CG2 4.32Å; L358-I384 HydrophobicContact CD2-CG2 4.32Å; Y359-I384 HydrophobicContact CD2-CD1 4.05Å; C362-I384 HydrophobicContact CB-CD1 3.92Å; C362-I384 HydrophobicContact CB-CG1 3.5Å; C362-I384 VanDerWaalsContact CB-CG1 3.5Å; L370-I384 HydrophobicContact CD1-CD1 3.56Å; L370-I384 HydrophobicContact CD2-CD1 3.79Å; L370-I384 HydrophobicContact CG-CD1 3.99Å; R380-I384 PolarHBondContact O-N 2.85Å; V381-I384 PolarHBondContact O-N 3.32Å; V381-I384 VanDerWaalsContact O-N 3.08Å; Q382-I384 VanDerWaalsContact C-N 3.33Å; Q382-I384 PolarHBondContact O-N 2.91Å; I384-G387 PolarHBondContact O-N 2.7Å; I384-G387 VanDerWaalsContact O-N 3.12Å
385L74Confident70.8Confident30 Ų3054.4 Ų54.416%0.15729%0.288CS..Hα-helixtrans-71.7-34.7-177.9-62.7177.3000112.5V381 Q382 G387 V390 A520 F523 I526V381-L385 HydrophobicContact CG1-CD1 3.85Å; V381-L385 HydrophobicContact CG1-CG 4.27Å; V381-L385 WeakPolarHBondContact O-CG 3.42Å; V381-L385 PolarHBondContact O-N 2.76Å; Q382-L385 PolarHBondContact O-N 3.02Å; L385-G387 PolarHBondContact O-N 3.43Å; L385-V390 WeakPolarHBondContact O-CG2 3.49Å; L385-A520 HydrophobicContact CD2-CB 4.16Å; L385-F523 HydrophobicContact CB-CB 4.41Å; L385-F523 HydrophobicContact CD1-CB 3.65Å; L385-F523 HydrophobicContact CD1-CD1 3.69Å; L385-F523 HydrophobicContact CD1-CD2 4.21Å; L385-F523 HydrophobicContact CD1-CE1 4.37Å; L385-F523 HydrophobicContact CD1-CG 3.59Å; L385-I526 HydrophobicContact CD1-CD1 3.86Å
386N70.6Confident69.5Low105 Ų10550.9 Ų50.956%0.56128%0.281SS*.THydrogen-bonded Turntrans-75.3-11.5169.6-72.7-8.6000113.2Q382 R388Q382-N386 PolarHBondContact NE2-ND2 3.08Å; Q382-N386 VanDerWaalsContact NE2-ND2 3.16Å; Q382-N386 PolarHBondContact NE2-OD1 3.24Å; Q382-N386 VanDerWaalsContact O-CB 3.26Å; Q382-N386 WeakPolarHBondContact O-CB 3.28Å; Q382-N386 PolarHBondContact O-N 3.11Å; N386-R388 PolarHBondContact O-N 3.13Å
387G60.6Low68.2Low14 Ų1450 Ų5014%0.14428%0.277CS..SBendtrans-57.8129.3-178.800000111.2V383 I384 L385 I389 V390V383-G387 PolarHBondContact O-N 3.42Å; V383-G387 VanDerWaalsContact O-N 3.12Å; I384-G387 PolarHBondContact O-N 2.7Å; I384-G387 VanDerWaalsContact O-N 3.12Å; L385-G387 PolarHBondContact O-N 3.43Å; G387-I389 PolarHBondContact O-N 3.48Å; G387-V390 PolarHBondContact O-N 3.33Å
388R53.2Low66.9Low219 Ų21947.9 Ų47.983%0.82627%0.266SS*.Hα-helixtrans-47.2-26.4178-75.1-178.4170.9177-3.6113.4N386 V390 S391 I392N386-R388 PolarHBondContact O-N 3.13Å; R388-V390 VanDerWaalsContact C-N 3.3Å; R388-V390 PolarHBondContact O-N 2.95Å; R388-S391 WeakPolarHBondContact O-CB 3.4Å; R388-S391 PolarHBondContact O-N 2.72Å; R388-S391 VanDerWaalsContact O-N 3.11Å; R388-I392 HydrophobicContact CB-CD1 4.38Å; R388-I392 WeakPolarHBondContact O-CG1 3.31Å; R388-I392 PolarHBondContact O-N 3.37Å
389I48.5Very low65.7Low27 Ų2750.5 Ų50.514%0.13828%0.282CS..Hα-helixtrans-63.5-27.5177.3-63.3174.3000113.3L358 E361 G387 I392 A393L358-I389 HydrophobicContact CD1-CB 4.13Å; L358-I389 HydrophobicContact CD1-CG2 3.83Å; L358-I389 HydrophobicContact CD2-CB 3.83Å; L358-I389 HydrophobicContact CD2-CD1 4.18Å; L358-I389 HydrophobicContact CD2-CG1 4.43Å; L358-I389 HydrophobicContact CD2-CG2 4.37Å; L358-I389 HydrophobicContact CG-CB 3.86Å; L358-I389 HydrophobicContact CG-CD1 4.13Å; L358-I389 HydrophobicContact CG-CG2 3.82Å; E361-I389 VanDerWaalsContact OE1-CD1 3.3Å; E361-I389 WeakPolarHBondContact OE1-CD1 3.24Å; E361-I389 WeakPolarHBondContact OE2-CD1 3.41Å; G387-I389 PolarHBondContact O-N 3.48Å; I389-I392 PolarHBondContact O-N 2.77Å; I389-A393 WeakPolarHBondContact O-CB 3.49Å; I389-A393 PolarHBondContact O-N 3.29Å
390V51.8Low64.6Low38 Ų3852.8 Ų52.823%0.2328%0.279CS..Hα-helixtrans-60.8-50.4169172.70000109.8L385 G387 R388 I392 A393 F394 A520L385-V390 WeakPolarHBondContact O-CG2 3.49Å; G387-V390 PolarHBondContact O-N 3.33Å; R388-V390 VanDerWaalsContact C-N 3.3Å; R388-V390 PolarHBondContact O-N 2.95Å; V390-I392 VanDerWaalsContact C-N 3.34Å; V390-I392 PolarHBondContact O-N 2.75Å; V390-A393 PolarHBondContact O-N 3.21Å; V390-F394 WeakPolarHBondContact O-CB 3.37Å; V390-F394 PolarHBondContact O-N 3.34Å; V390-A520 HydrophobicContact CB-CB 4.3Å; V390-A520 HydrophobicContact CG1-CB 3.31Å; V390-A520 HydrophobicContact CG2-CB 4.03Å
391S50Low63.4Low73 Ų7351 Ų5151%0.5127%0.273SS..Hα-helixtrans-62.4-38.4177.1-175.40000112.3R388 S395R388-S391 WeakPolarHBondContact O-CB 3.4Å; R388-S391 PolarHBondContact O-N 2.72Å; R388-S391 VanDerWaalsContact O-N 3.11Å; S391-S395 VanDerWaalsContact O-CB 3.26Å; S391-S395 WeakPolarHBondContact O-CB 3.39Å; S391-S395 PolarHBondContact O-N 2.9Å; S391-S395 PolarHBondContact O-OG 2.94Å
392I51.2Low62.5Low107 Ų10752.9 Ų52.955%0.54928%0.281SS..Hα-helixtrans-69.7-39.7175.5-62.8161.7000111.5R388 I389 V390 S395 G396R388-I392 HydrophobicContact CB-CD1 4.38Å; R388-I392 WeakPolarHBondContact O-CG1 3.31Å; R388-I392 PolarHBondContact O-N 3.37Å; I389-I392 PolarHBondContact O-N 2.77Å; V390-I392 VanDerWaalsContact C-N 3.34Å; V390-I392 PolarHBondContact O-N 2.75Å; I392-S395 PolarHBondContact O-N 3.45Å; I392-G396 PolarHBondContact O-N 2.7Å
393A51.8Low61.9Low27 Ų2755.1 Ų55.122%0.22329%0.294CS..Hα-helixtrans-69.1-39.5177.700000111.2I389 V390 C397I389-A393 WeakPolarHBondContact O-CB 3.49Å; I389-A393 PolarHBondContact O-N 3.29Å; V390-A393 PolarHBondContact O-N 3.21Å; A393-C397 VanDerWaalsContact O-CB 3.26Å; A393-C397 WeakPolarHBondContact O-CB 3.47Å; A393-C397 PolarHBondContact O-N 3.35Å
394F57.4Low61.1Low32 Ų3259.7 Ų59.714%0.1431%0.305CS..Hα-helixtrans-60.4-51.7170.8-175.2-105.1000110.8F344 V390 G396 C397 I398 L459 W464F344-F394 AromaticContact CD2-CD2 3.79Å; F344-F394 HydrophobicContact CD2-CD2 3.79Å; F344-F394 HydrophobicContact CD2-CE2 4.2Å; F344-F394 HydrophobicContact CE1-CD2 4.45Å; F344-F394 HydrophobicContact CE1-CE2 4.39Å; F344-F394 AromaticContact CE2-CD2 3.43Å; F344-F394 HydrophobicContact CE2-CD2 3.43Å; F344-F394 VanDerWaalsContact CE2-CD2 3.43Å; F344-F394 AromaticContact CE2-CE2 3.37Å; F344-F394 HydrophobicContact CE2-CE2 3.37Å; F344-F394 HydrophobicContact CG-CD2 4.46Å; F344-F394 AromaticContact CZ-CD2 3.82Å; F344-F394 HydrophobicContact CZ-CD2 3.82Å; F344-F394 AromaticContact CZ-CE2 3.49Å; F344-F394 HydrophobicContact CZ-CE2 3.49Å; F344-F394 VanDerWaalsContact CZ-CE2 3.49Å; V390-F394 WeakPolarHBondContact O-CB 3.37Å; V390-F394 PolarHBondContact O-N 3.34Å; F394-G396 PolarHBondContact O-N 3.21Å; F394-C397 PolarHBondContact O-N 3.16Å; F394-I398 HydrophobicContact CD1-CD1 3.58Å; F394-I398 HydrophobicContact CE1-CD1 3.19Å; F394-I398 HydrophobicContact CE1-CG1 4.4Å; F394-I398 HydrophobicContact CE2-CD1 4.27Å; F394-I398 HydrophobicContact CG-CD1 4.26Å; F394-I398 HydrophobicContact CZ-CD1 3.55Å; F394-I398 HydrophobicContact CZ-CG1 4.46Å; F394-I398 WeakPolarHBondContact O-CB 3.15Å; F394-I398 WeakPolarHBondContact O-CG1 3.46Å; F394-I398 PolarHBondContact O-N 3.32Å; F394-L459 HydrophobicContact CE2-CD2 3.9Å; F394-L459 HydrophobicContact CZ-CD2 3.94Å; F394-W464 HydrophobicContact CD1-CZ2 4.39Å; F394-W464 HydrophobicContact CE1-CD2 4.39Å; F394-W464 AromaticContact CE1-CE2 3.64Å; F394-W464 AromaticContact CE1-CH2 3.84Å; F394-W464 HydrophobicContact CE1-CH2 3.84Å; F394-W464 AromaticContact CE1-CZ2 3.36Å; F394-W464 HydrophobicContact CE1-CZ2 3.36Å; F394-W464 AromaticContact CE1-NE1 4Å; F394-W464 HydrophobicContact CE2-CE3 4.22Å; F394-W464 AromaticContact CE2-CH2 3.62Å; F394-W464 HydrophobicContact CE2-CH2 3.62Å; F394-W464 HydrophobicContact CE2-CZ2 4.02Å; F394-W464 AromaticContact CE2-CZ3 3.72Å; F394-W464 HydrophobicContact CE2-CZ3 3.72Å; F394-W464 AromaticContact CZ-CD2 3.66Å; F394-W464 HydrophobicContact CZ-CD2 3.66Å; F394-W464 AromaticContact CZ-CE2 3.33Å; F394-W464 AromaticContact CZ-CE3 3.74Å; F394-W464 HydrophobicContact CZ-CE3 3.74Å; F394-W464 AromaticContact CZ-CH2 3.24Å; F394-W464 HydrophobicContact CZ-CH2 3.24Å; F394-W464 AromaticContact CZ-CZ2 3.16Å; F394-W464 HydrophobicContact CZ-CZ2 3.16Å; F394-W464 AromaticContact CZ-CZ3 3.52Å; F394-W464 HydrophobicContact CZ-CZ3 3.52Å
395S57.6Low60.6Low56 Ų5660.1 Ų60.139%0.39231%0.311SS..Hα-helixtrans-59.4-44.6176-590000112.3S391 I392 I398 V399S391-S395 VanDerWaalsContact O-CB 3.26Å; S391-S395 WeakPolarHBondContact O-CB 3.39Å; S391-S395 PolarHBondContact O-N 2.9Å; S391-S395 PolarHBondContact O-OG 2.94Å; I392-S395 PolarHBondContact O-N 3.45Å; S395-I398 WeakPolarHBondContact O-CB 3.48Å; S395-I398 PolarHBondContact O-N 3.26Å; S395-V399 WeakPolarHBondContact O-CG2 3.47Å; S395-V399 PolarHBondContact O-N 2.84Å
396G61.6Low60.4Low23 Ų2366.1 Ų66.124%0.23733%0.332CS..Hα-helixtrans-66.6-36.7177.300000112.9I392 F394 R400I392-G396 PolarHBondContact O-N 2.7Å; F394-G396 PolarHBondContact O-N 3.21Å; G396-R400 WeakPolarHBondContact O-CB 3.46Å; G396-R400 VanDerWaalsContact O-CG 3.32Å; G396-R400 WeakPolarHBondContact O-CG 3.46Å; G396-R400 PolarHBondContact O-N 3.23Å
397C61Low60.4Low6 Ų670 Ų704%0.04134%0.338CS..Hα-helixtrans-68.7-43.4172.9-163.70000110.8F344 A393 F394 V399 R400 L401F344-C397 HydrophobicContact CD1-CB 4.08Å; A393-C397 VanDerWaalsContact O-CB 3.26Å; A393-C397 WeakPolarHBondContact O-CB 3.47Å; A393-C397 PolarHBondContact O-N 3.35Å; F394-C397 PolarHBondContact O-N 3.16Å; C397-V399 PolarHBondContact O-N 3.4Å; C397-R400 CarbonylContact O-C 3.5Å; C397-R400 PolarHBondContact O-N 2.99Å; C397-R400 VanDerWaalsContact O-N 3.17Å; C397-L401 WeakPolarHBondContact O-CB 3.27Å; C397-L401 VanDerWaalsContact O-CG 3.28Å; C397-L401 WeakPolarHBondContact O-CG 3.3Å; C397-L401 PolarHBondContact O-N 3.5Å
398I61.4Low60.9Low21 Ų2171.4 Ų71.411%0.10834%0.344CS..Hα-helixtrans-54.8-50.1171.4-78.2168000111F394 S395 R400 L401 Q402 L459 W460F394-I398 HydrophobicContact CD1-CD1 3.58Å; F394-I398 HydrophobicContact CE1-CD1 3.19Å; F394-I398 HydrophobicContact CE1-CG1 4.4Å; F394-I398 HydrophobicContact CE2-CD1 4.27Å; F394-I398 HydrophobicContact CG-CD1 4.26Å; F394-I398 HydrophobicContact CZ-CD1 3.55Å; F394-I398 HydrophobicContact CZ-CG1 4.46Å; F394-I398 WeakPolarHBondContact O-CB 3.15Å; F394-I398 WeakPolarHBondContact O-CG1 3.46Å; F394-I398 PolarHBondContact O-N 3.32Å; S395-I398 WeakPolarHBondContact O-CB 3.48Å; S395-I398 PolarHBondContact O-N 3.26Å; I398-R400 VanDerWaalsContact C-N 3.33Å; I398-R400 PolarHBondContact O-N 2.79Å; I398-L401 CarbonylContact O-C 3.57Å; I398-L401 PolarHBondContact O-N 3.05Å; I398-L401 VanDerWaalsContact O-N 3.15Å; I398-Q402 HydrophobicContact CG2-CG 4.27Å; I398-Q402 WeakPolarHBondContact O-CB 3.48Å; I398-Q402 WeakPolarHBondContact O-CG 3.09Å; I398-Q402 PolarHBondContact O-N 2.99Å; I398-L459 WeakPolarHBondContact CD1-O 3.16Å; I398-L459 HydrophobicContact CG1-CB 4.26Å; I398-W460 HydrophobicContact CG2-CB 3.86Å
399V65.8Low61.8Low69 Ų6967.3 Ų67.342%0.41833%0.333SS..Hα-helixtrans-62.7-39.4178.1169.70000111.2S395 C397 N403S395-V399 WeakPolarHBondContact O-CG2 3.47Å; S395-V399 PolarHBondContact O-N 2.84Å; C397-V399 PolarHBondContact O-N 3.4Å; V399-N403 VanDerWaalsContact O-CB 3.26Å; V399-N403 WeakPolarHBondContact O-CB 3.17Å; V399-N403 PolarHBondContact O-N 2.78Å; V399-N403 PolarHBondContact O-ND2 2.79Å; V399-N403 VanDerWaalsContact O-ND2 3.14Å
400R64.8Low63Low104 Ų10469.1 Ų69.139%0.39235%0.347SS..Hα-helixtrans-63.5-41.1172.9-76.6-169.4-68.5-94.17.2112.2E349 G396 C397 I398 N403 R404E349-R400 IonicContact OE2-CZ 3.2Å; E349-R400 VanDerWaalsContact OE2-CZ 3.25Å; E349-R400 IonicContact OE2-NE 2.78Å; E349-R400 PolarHBondContact OE2-NE 2.69Å; E349-R400 IonicContact OE2-NH2 3.62Å; E349-R400 PolarHBondContact OE2-NH2 3.18Å; G396-R400 WeakPolarHBondContact O-CB 3.46Å; G396-R400 VanDerWaalsContact O-CG 3.32Å; G396-R400 WeakPolarHBondContact O-CG 3.46Å; G396-R400 PolarHBondContact O-N 3.23Å; C397-R400 CarbonylContact O-C 3.5Å; C397-R400 PolarHBondContact O-N 2.99Å; C397-R400 VanDerWaalsContact O-N 3.17Å; I398-R400 VanDerWaalsContact C-N 3.33Å; I398-R400 PolarHBondContact O-N 2.79Å; R400-N403 PolarHBondContact O-N 3.07Å; R400-R404 WeakPolarHBondContact O-CB 3.5Å; R400-R404 PolarHBondContact O-N 3.2Å
401L62.4Low63.9Low19 Ų1974.3 Ų74.310%0.09936%0.363CS..Hα-helixtrans-69.2-44.9177.8-71.4171.4000111.8C397 I398 N403 R404 A405 F456C397-L401 WeakPolarHBondContact O-CB 3.27Å; C397-L401 VanDerWaalsContact O-CG 3.28Å; C397-L401 WeakPolarHBondContact O-CG 3.3Å; C397-L401 PolarHBondContact O-N 3.5Å; I398-L401 CarbonylContact O-C 3.57Å; I398-L401 PolarHBondContact O-N 3.05Å; I398-L401 VanDerWaalsContact O-N 3.15Å; L401-N403 VanDerWaalsContact C-N 3.35Å; L401-N403 PolarHBondContact O-N 2.87Å; L401-R404 PolarHBondContact O-N 2.75Å; L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.04Å; L401-F456 HydrophobicContact CD1-CD1 3.73Å; L401-F456 HydrophobicContact CD1-CE1 3.96Å; L401-F456 HydrophobicContact CD1-CG 4.33Å; L401-F456 HydrophobicContact CD2-CD1 3.96Å; L401-F456 HydrophobicContact CD2-CD2 4.32Å; L401-F456 HydrophobicContact CD2-CE1 3.52Å; L401-F456 HydrophobicContact CD2-CE2 3.92Å; L401-F456 HydrophobicContact CD2-CG 4.35Å; L401-F456 HydrophobicContact CD2-CZ 3.51Å; L401-F456 HydrophobicContact CG-CD1 4.49Å; L401-F456 HydrophobicContact CG-CE1 4.41Å
402Q64.7Low64.7Low55 Ų5575.9 Ų75.926%0.25736%0.358SS..Hα-helixtrans-55-49.2170.5-75.5176.4-15.900110.8I398 R404 A405 R406 W460I398-Q402 HydrophobicContact CG2-CG 4.27Å; I398-Q402 WeakPolarHBondContact O-CB 3.48Å; I398-Q402 WeakPolarHBondContact O-CG 3.09Å; I398-Q402 PolarHBondContact O-N 2.99Å; Q402-R404 VanDerWaalsContact C-N 3.32Å; Q402-R404 PolarHBondContact O-N 2.71Å; Q402-A405 PolarHBondContact O-N 2.67Å; Q402-R406 WeakPolarHBondContact O-CB 3.47Å; Q402-R406 VanDerWaalsContact O-CG 3.28Å; Q402-R406 WeakPolarHBondContact O-CG 3.36Å; Q402-R406 PolarHBondContact O-N 3.38Å; Q402-W460 HydrophobicContact CG-CB 3.72Å; Q402-W460 HydrophobicContact CG-CG 4.19Å
403N71.4Confident65.8Low65 Ų6576.4 Ų76.435%0.34836%0.361SS..Hα-helixtrans-64.3-35.3178.3-76-30000112.3V399 R400 L401 R407V399-N403 VanDerWaalsContact O-CB 3.26Å; V399-N403 WeakPolarHBondContact O-CB 3.17Å; V399-N403 PolarHBondContact O-N 2.78Å; V399-N403 PolarHBondContact O-ND2 2.79Å; V399-N403 VanDerWaalsContact O-ND2 3.14Å; R400-N403 PolarHBondContact O-N 3.07Å; L401-N403 VanDerWaalsContact C-N 3.35Å; L401-N403 PolarHBondContact O-N 2.87Å; N403-R407 WeakPolarHBondContact O-CB 3.32Å; N403-R407 VanDerWaalsContact O-CG 3.26Å; N403-R407 WeakPolarHBondContact O-CG 3.12Å; N403-R407 PolarHBondContact O-N 2.91Å
404R66.9Low66.8Low148 Ų14884 Ų8456%0.55838%0.384SS*.Hα-helixtrans-68.3-44.3173.5-168.6175.1-174.1168.81.1111.9R400 L401 Q402 R407 V408R400-R404 WeakPolarHBondContact O-CB 3.5Å; R400-R404 PolarHBondContact O-N 3.2Å; L401-R404 PolarHBondContact O-N 2.75Å; Q402-R404 VanDerWaalsContact C-N 3.32Å; Q402-R404 PolarHBondContact O-N 2.71Å; R404-R407 PolarHBondContact O-N 2.81Å; R404-V408 WeakPolarHBondContact O-CG2 3.3Å; R404-V408 PolarHBondContact O-N 3.3Å
405A64.8Low67.5Low25 Ų2586.1 Ų86.121%0.20739%0.394CS..Hα-helixtrans-62.6-44.117600000111.5L401 Q402 V408 K409L401-A405 WeakPolarHBondContact O-CB 3.38Å; L401-A405 PolarHBondContact O-N 3.04Å; Q402-A405 PolarHBondContact O-N 2.67Å; A405-V408 PolarHBondContact O-N 2.84Å; A405-K409 WeakPolarHBondContact O-CB 3.39Å; A405-K409 PolarHBondContact O-N 3.33Å
406R70.3Confident68.1Low155 Ų15593 Ų9359%0.58541%0.412SS*.Hα-helixtrans-56.3-49.4171.4-73.7172.8180176.5-2.3111.2Q402 V408 K409 S410Q402-R406 WeakPolarHBondContact O-CB 3.47Å; Q402-R406 VanDerWaalsContact O-CG 3.28Å; Q402-R406 WeakPolarHBondContact O-CG 3.36Å; Q402-R406 PolarHBondContact O-N 3.38Å; R406-V408 PolarHBondContact O-N 3.04Å; R406-K409 PolarHBondContact O-N 3.39Å; R406-S410 WeakPolarHBondContact O-CB 3.48Å; R406-S410 PolarHBondContact O-N 3.1Å; R406-S410 PolarHBondContact O-OG 3.27Å
407R72.2Confident68.5Low186 Ų18695.4 Ų95.470%0.70243%0.429SS*.Hα-helixtrans-59.2-42.1176.5-75.3173.2-177-170.31.5113N403 R404 R411N403-R407 WeakPolarHBondContact O-CB 3.32Å; N403-R407 VanDerWaalsContact O-CG 3.26Å; N403-R407 WeakPolarHBondContact O-CG 3.12Å; N403-R407 PolarHBondContact O-N 2.91Å; R404-R407 PolarHBondContact O-N 2.81Å; R407-R411 WeakPolarHBondContact O-CB 3.33Å; R407-R411 PolarHBondContact O-N 3.08Å
408V69.7Low68.9Low44 Ų44105.7 Ų105.727%0.26747%0.467SS..Hα-helixtrans-66.2-44.2176.2174.10000111.2R404 A405 R406 R411 R412 L452R404-V408 WeakPolarHBondContact O-CG2 3.3Å; R404-V408 PolarHBondContact O-N 3.3Å; A405-V408 PolarHBondContact O-N 2.84Å; R406-V408 PolarHBondContact O-N 3.04Å; V408-R411 PolarHBondContact O-N 2.87Å; V408-R412 PolarHBondContact O-N 2.85Å; V408-L452 HydrophobicContact CG1-CD1 4.43Å
409K72.3Confident68.7Low134 Ų134112.5 Ų112.558%0.58350%0.5SS*.Hα-helixtrans-60.9-46175.8-169.9179.2-178.6-178.20111.4A405 R406 R411 R412 L413A405-K409 WeakPolarHBondContact O-CB 3.39Å; A405-K409 PolarHBondContact O-N 3.33Å; R406-K409 PolarHBondContact O-N 3.39Å; K409-R411 PolarHBondContact O-N 2.99Å; K409-R412 PolarHBondContact O-N 2.87Å; K409-L413 PolarHBondContact O-N 2.79Å
410S73.1Confident67.9Low64 Ų64114 Ų11445%0.44851%0.509SS..Hα-helixtrans-63.3-39.4176.5-59.20000112.7R406 L413 R414R406-S410 WeakPolarHBondContact O-CB 3.48Å; R406-S410 PolarHBondContact O-N 3.1Å; R406-S410 PolarHBondContact O-OG 3.27Å; S410-L413 PolarHBondContact O-N 2.96Å; S410-R414 WeakPolarHBondContact O-CG 3.25Å; S410-R414 PolarHBondContact O-N 3.07Å; S410-R414 VanDerWaalsContact O-N 3.08Å
411R72.5Confident67Low147 Ų147113.1 Ų113.156%0.55552%0.517SS*.Hα-helixtrans-64-46.3175.2-179.5177.2163.9-172.5-10.8111.3R407 V408 K409 L413 R414 E415R407-R411 WeakPolarHBondContact O-CB 3.33Å; R407-R411 PolarHBondContact O-N 3.08Å; V408-R411 PolarHBondContact O-N 2.87Å; K409-R411 PolarHBondContact O-N 2.99Å; R411-L413 VanDerWaalsContact C-N 3.33Å; R411-L413 PolarHBondContact O-N 3.11Å; R411-R414 WeakPolarHBondContact O-CB 3.39Å; R411-R414 PolarHBondContact O-N 3.44Å; R411-R414 VanDerWaalsContact O-N 3.13Å; R411-E415 HydrophobicContact CG-CG 4.48Å; R411-E415 IonicContact CZ-OE1 3.85Å; R411-E415 IonicContact NE-OE1 3.46Å; R411-E415 PolarHBondContact NE-OE1 3.19Å; R411-E415 IonicContact NE-OE2 2.72Å; R411-E415 IonicContact NH2-OE1 3.68Å; R411-E415 PolarHBondContact NH2-OE1 2.95Å; R411-E415 WeakPolarHBondContact O-CG 3.39Å; R411-E415 PolarHBondContact O-N 3.1Å
412R66Low66.4Low107 Ų107117.6 Ų117.640%0.40456%0.557SS.*Hα-helixtrans-63.2-35.4175.7-75.2-174.9173-151-6.6113V408 K409 E415 R416V408-R412 PolarHBondContact O-N 2.85Å; K409-R412 PolarHBondContact O-N 2.87Å; R412-E415 PolarHBondContact O-N 2.93Å; R412-R416 WeakPolarHBondContact O-CB 3.44Å; R412-R416 PolarHBondContact O-N 3.38Å
413L73.8Confident65.3Low117 Ų117124 Ų12461%0.61358%0.58SS**Hα-helixtrans-62.5-42.9172.4-119.582.8000111.4K409 S410 R411 A417K409-L413 PolarHBondContact O-N 2.79Å; S410-L413 PolarHBondContact O-N 2.96Å; R411-L413 VanDerWaalsContact C-N 3.33Å; R411-L413 PolarHBondContact O-N 3.11Å; L413-A417 VanDerWaalsContact O-CB 3.26Å; L413-A417 WeakPolarHBondContact O-CB 3.16Å; L413-A417 PolarHBondContact O-N 3.47Å
414R73.9Confident63.9Low187 Ų187127 Ų12771%0.70660%0.595SS**Hα-helixtrans-68-35.9176.2-69.3173.8-177.8-174.5-1.4112.9S410 R411 R418S410-R414 WeakPolarHBondContact O-CG 3.25Å; S410-R414 PolarHBondContact O-N 3.07Å; S410-R414 VanDerWaalsContact O-N 3.08Å; R411-R414 WeakPolarHBondContact O-CB 3.39Å; R411-R414 PolarHBondContact O-N 3.44Å; R411-R414 VanDerWaalsContact O-N 3.13Å; R414-R418 VanDerWaalsContact O-CG 3.29Å; R414-R418 WeakPolarHBondContact O-CG 3.12Å; R414-R418 PolarHBondContact O-N 2.91Å
415E71.1Confident62.6Low77 Ų77124.1 Ų124.136%0.3660%0.595SS.*Hα-helixtrans-68.6-44.7175.1-74164.8163.600110.8R411 R412 R418 M419R411-E415 HydrophobicContact CG-CG 4.48Å; R411-E415 IonicContact CZ-OE1 3.85Å; R411-E415 IonicContact NE-OE1 3.46Å; R411-E415 PolarHBondContact NE-OE1 3.19Å; R411-E415 IonicContact NE-OE2 2.72Å; R411-E415 IonicContact NH2-OE1 3.68Å; R411-E415 PolarHBondContact NH2-OE1 2.95Å; R411-E415 WeakPolarHBondContact O-CG 3.39Å; R411-E415 PolarHBondContact O-N 3.1Å; R412-E415 PolarHBondContact O-N 2.93Å; E415-R418 PolarHBondContact O-N 3.19Å; E415-M419 PolarHBondContact O-N 2.99Å
416R70.3Confident61.2Low201 Ų201129 Ų12976%0.75862%0.622SS**Hα-helixtrans-61.3-46171.7-82.5-172.8169.3-174.6-5112.7R412 R418 M419 V420R412-R416 WeakPolarHBondContact O-CB 3.44Å; R412-R416 PolarHBondContact O-N 3.38Å; R416-R418 PolarHBondContact O-N 3.44Å; R416-R418 VanDerWaalsContact O-N 3.17Å; R416-M419 PolarHBondContact O-N 3.42Å; R416-V420 PolarHBondContact O-N 3.44Å
417A71Confident59.7Low72 Ų72128.9 Ų128.960%0.59563%0.633SS**Hα-helixtrans-63-20.6178.500000113.6L413L413-A417 VanDerWaalsContact O-CB 3.26Å; L413-A417 WeakPolarHBondContact O-CB 3.16Å; L413-A417 PolarHBondContact O-N 3.47Å
418R67.9Low57.9Low222 Ų222125.9 Ų125.984%0.83864%0.641SS**THydrogen-bonded Turntrans-87.3-8.7172-74.7173.6174.4-164.3-4.8114.1R414 E415 R416R414-R418 VanDerWaalsContact O-CG 3.29Å; R414-R418 WeakPolarHBondContact O-CG 3.12Å; R414-R418 PolarHBondContact O-N 2.91Å; E415-R418 PolarHBondContact O-N 3.19Å; R416-R418 PolarHBondContact O-N 3.44Å; R416-R418 VanDerWaalsContact O-N 3.17Å
419M58.7Low56.3Low164 Ų164134.5 Ų134.581%0.80868%0.675SS**THydrogen-bonded Turntrans-106.6-1.7179-72.7-178.7159.600113.2E415 R416E415-M419 PolarHBondContact O-N 2.99Å; R416-M419 PolarHBondContact O-N 3.42Å
420V47.3Very low54.3Low101 Ų101132.8 Ų132.861%0.61269%0.686SS**SBendtrans-80.2124.3170.7-175.20000108.4R416 A422R416-V420 PolarHBondContact O-N 3.44Å; V420-A422 PolarHBondContact O-N 3.4Å
421P46.3Very low52.3Low85 Ų85135.5 Ų135.555%0.55270%0.702SS**  trans-59.1136.1170.7-21.333.1000110.2Y423 I424P421-Y423 PolarHBondContact O-N 3.41Å; P421-I424 HydrophobicContact CB-CG1 4.36Å; P421-I424 HydrophobicContact CG-CD1 4.45Å
422A50.8Low50.3Low114 Ų114136.4 Ų136.494%0.94272%0.718SS**SBendtrans-68.6-6.3-174.900000114.5V420V420-A422 PolarHBondContact O-N 3.4Å
423Y42Very low48.5Very low189 Ų189137.6 Ų137.674%0.74174%0.737SS**  trans-156.1128.9-179.5-172.3-109.6000110P421 P425P421-Y423 PolarHBondContact O-N 3.41Å; Y423-P425 HydrophobicContact CD1-CG 4.3Å; Y423-P425 HydrophobicContact CE1-CG 3.72Å
424I41.6Very low46.3Very low128 Ų128137.9 Ų137.966%0.65675%0.747SS**  trans-136.6117.8165.7-57.2180000106.1P421P421-I424 HydrophobicContact CB-CG1 4.36Å; P421-I424 HydrophobicContact CG-CD1 4.45Å
425P38.9Very low44Very low88 Ų88134 Ų13457%0.57175%0.749SS**  trans-63.1144.7175.5-18.630000111.7Y423Y423-P425 HydrophobicContact CD1-CG 4.3Å; Y423-P425 HydrophobicContact CE1-CG 3.72Å
426T36.7Very low41.9Very low126 Ų126138.7 Ų138.777%0.77377%0.768SS**SBendtrans-70.1154.4170.9380000111.6
427N37Very low39.9Very low153 Ų153138.4 Ų138.482%0.81877%0.773SS**  trans79.870.9174.2-53.4-11.3000117.3
428S35.8Very low37.8Very low123 Ų123138.2 Ų138.286%0.8678%0.778SS**  trans-155.2114.5148.7-79.60000111.3
429F34.9Very low35.8Very low226 Ų226134.6 Ų134.699%0.99178%0.775SS**  trans-86.6121.5164.4-84.3-99.8000108.7
430A30.2Very low34.4Very low97 Ų97132 Ų13280%0.80277%0.77SS**  trans-156152.4163.800000110.9
431P32.4Very low33.4Very low121 Ų121137.1 Ų137.179%0.78679%0.788SS**  trans-111.6176.6-151.239.8-31.2000116V433P431-V433 PolarHBondContact O-N 2.93Å
432N30.2Very low32.5Very low166 Ų166135.7 Ų135.789%0.88878%0.783SS**  trans-61.2122.5176.2-62.9-35.7000113.2
433V27.2Very low31.4Very low133 Ų133137.8 Ų137.881%0.80678%0.778SS**  trans-149.9146.2150.3-157.10000112P431P431-V433 PolarHBondContact O-N 2.93Å
434C27.4Very low30.9Very low123 Ų123136 Ų13683%0.83178%0.775SS**  trans85.3116.3151.3-111.40000121.7
435S26.2Very low30.3Very low105 Ų105133.6 Ų133.673%0.73477%0.774SS**  trans-84.3136.9165.748.90000112.5
436F27.3Very low30.2Very low175 Ų175132 Ų13277%0.76877%0.773SS**  trans-164.3133.3153.3-133.3-130.6000111.5
437F28.6Very low30.4Very low195 Ų195129.3 Ų129.386%0.85575%0.754SS**  trans59.1145.4-179.9-54.6-69000117.4
438G25.9Very low30.7Very low69 Ų69123.5 Ų123.571%0.71173%0.725SS**  cis147.557.9-1.500000114.2
439L26Very low30.9Very low145 Ų145121.2 Ų121.276%0.75970%0.703SS**  trans-151.5133.7171.5-83.9178000111.3I277I277-L439 HydrophobicContact CG2-CD2 4.35Å
440P28.9Very low31.2Very low111 Ų111117.4 Ų117.472%0.72169%0.688SS**  trans-81.8130.7174.330.8-31.6000112.2A442P440-A442 VanDerWaalsContact C-N 3.32Å; P440-A442 PolarHBondContact O-N 2.95Å
441E27.2Very low31.8Very low208 Ų208115.5 Ų115.597%0.97267%0.666SS**  trans-72.476.5178.1-72.3-162.9136.300113.1
442A28.4Very low32.2Very low55 Ų55110.5 Ų110.546%0.45563%0.633SS.*  trans-82.8122.817200000112.6P440P440-A442 VanDerWaalsContact C-N 3.32Å; P440-A442 PolarHBondContact O-N 2.95Å
443N27.8Very low32.8Very low157 Ų157104.9 Ų104.984%0.8460%0.603SS**  trans64.153.1153.5-70.4-47.6000119.5
444F29.6Very low33.9Very low153 Ų153105 Ų10567%0.67160%0.595SS**  trans-119.9125.1163-101.7-94.8000116.6G446F444-G446 PolarHBondContact O-N 3.11Å
445A30.8Very low34.9Very low77 Ų77100 Ų10064%0.63656%0.56SS**SBendtrans-21.797.4173.800000119.6
446G36.7Very low36.2Very low54 Ų5497.1 Ų97.156%0.55753%0.534SS*.  trans156.7108.6148.200000116.7F444 S448F444-G446 PolarHBondContact O-N 3.11Å; G446-S448 PolarHBondContact O-N 2.61Å
447L39.6Very low37.7Very low70 Ų7089.5 Ų89.537%0.36650%0.501SS..  trans-44.8126.9163.7-78.2157.4000110T451 L452L447-T451 HydrophobicContact CD2-CG2 3.5Å; L447-T451 VanDerWaalsContact CD2-CG2 3.5Å; L447-L452 HydrophobicContact CB-CD2 4.11Å; L447-L452 HydrophobicContact CB-CG 4.03Å; L447-L452 HydrophobicContact CD1-CD2 4.03Å
448S43.6Very low39.2Very low31 Ų3185.5 Ų85.522%0.21748%0.48CS..  trans-66.3160.3177.997.40000110.3G446 Q450 T451 L452G446-S448 PolarHBondContact O-N 2.61Å; S448-Q450 PolarHBondContact O-N 3.15Å; S448-Q450 PolarHBondContact OG-N 3.39Å; S448-T451 PolarHBondContact N-OG1 2.66Å; S448-T451 PolarHBondContact O-N 3.4Å; S448-T451 VanDerWaalsContact O-N 3.12Å; S448-T451 PolarHBondContact OG-N 2.93Å; S448-T451 PolarHBondContact OG-OG1 3.34Å; S448-L452 PolarHBondContact O-N 3.18Å
449L39.5Very low40.9Very low75 Ų7582.6 Ų82.639%0.39345%0.448SS..Hα-helixtrans-62.4-35.2176.5-159.184.7000111L452 N453L449-L452 PolarHBondContact O-N 3.41Å; L449-N453 WeakPolarHBondContact O-CB 3.29Å; L449-N453 PolarHBondContact O-N 3.14Å; L449-N453 PolarHBondContact O-ND2 2.94Å; L449-N453 PolarHBondContact O-OD1 3.28Å
450Q41Very low42.5Very low146 Ų14678.8 Ų78.868%0.68242%0.424SS*.Hα-helixtrans-63.3-45.9171.6-69.9162.8-34.300110.6S448 L452 N453 H454S448-Q450 PolarHBondContact O-N 3.15Å; S448-Q450 PolarHBondContact OG-N 3.39Å; Q450-L452 VanDerWaalsContact C-N 3.34Å; Q450-L452 PolarHBondContact O-N 3.42Å; Q450-N453 PolarHBondContact O-N 3.44Å; Q450-N453 VanDerWaalsContact O-N 3.15Å; Q450-H454 PolarHBondContact O-CD2 3.3Å; Q450-H454 PolarHBondContact O-N 2.65Å
451T43.1Very low44.3Very low56 Ų5677 Ų7734%0.34441%0.406SS..Hα-helixtrans-62.4-40.7177-35.20000111.5L447 S448 H454 V455L447-T451 HydrophobicContact CD2-CG2 3.5Å; L447-T451 VanDerWaalsContact CD2-CG2 3.5Å; S448-T451 PolarHBondContact N-OG1 2.66Å; S448-T451 PolarHBondContact O-N 3.4Å; S448-T451 VanDerWaalsContact O-N 3.12Å; S448-T451 PolarHBondContact OG-N 2.93Å; S448-T451 PolarHBondContact OG-OG1 3.34Å; T451-H454 PolarHBondContact O-N 3.4Å; T451-V455 HydrophobicContact CG2-CG2 4.28Å; T451-V455 WeakPolarHBondContact O-CB 3.31Å; T451-V455 WeakPolarHBondContact O-CG2 3.23Å; T451-V455 PolarHBondContact O-N 2.91Å
452L41.4Very low46.3Very low16 Ų1672.3 Ų72.38%0.08440%0.396CS..Hα-helixtrans-62.7-41173.4-73171.5000112.3V408 L447 S448 L449 Q450 F456V408-L452 HydrophobicContact CG1-CD1 4.43Å; L447-L452 HydrophobicContact CB-CD2 4.11Å; L447-L452 HydrophobicContact CB-CG 4.03Å; L447-L452 HydrophobicContact CD1-CD2 4.03Å; S448-L452 PolarHBondContact O-N 3.18Å; L449-L452 PolarHBondContact O-N 3.41Å; Q450-L452 VanDerWaalsContact C-N 3.34Å; Q450-L452 PolarHBondContact O-N 3.42Å; L452-F456 HydrophobicContact CD2-CD2 4.06Å; L452-F456 HydrophobicContact CD2-CE2 3.75Å; L452-F456 WeakPolarHBondContact O-CB 3.13Å; L452-F456 WeakPolarHBondContact O-CD2 3.27Å; L452-F456 PolarHBondContact O-N 3.15Å
453N42Very low48.6Very low49 Ų4971.1 Ų71.126%0.26239%0.389SS..Hα-helixtrans-65.8-41.7178.1-72.1-12.1000112.2L449 Q450 F457L449-N453 WeakPolarHBondContact O-CB 3.29Å; L449-N453 PolarHBondContact O-N 3.14Å; L449-N453 PolarHBondContact O-ND2 2.94Å; L449-N453 PolarHBondContact O-OD1 3.28Å; Q450-N453 PolarHBondContact O-N 3.44Å; Q450-N453 VanDerWaalsContact O-N 3.15Å; N453-F457 PolarHBondContact O-N 3.21Å; N453-F457 VanDerWaalsContact O-N 3.12Å
454H50.2Low50.8Low136 Ų13665.7 Ų65.763%0.6336%0.357SS*.Hα-helixtrans-69.7-41.5174.6-84.7-80.6000112.7Q450 T451 F457Q450-H454 PolarHBondContact O-CD2 3.3Å; Q450-H454 PolarHBondContact O-N 2.65Å; T451-H454 PolarHBondContact O-N 3.4Å; H454-F457 WeakPolarHBondContact O-CE1 3.28Å; H454-F457 WeakPolarHBondContact O-CZ 3.35Å
455V49.7Very low53Low18 Ų1860.3 Ų60.311%0.10933%0.333CS..Hα-helixtrans-64-42.2179.7156.50000112.1T451T451-V455 HydrophobicContact CG2-CG2 4.28Å; T451-V455 WeakPolarHBondContact O-CB 3.31Å; T451-V455 WeakPolarHBondContact O-CG2 3.23Å; T451-V455 PolarHBondContact O-N 2.91Å
456F53.9Low55.3Low43 Ų4359.6 Ų59.619%0.18932%0.317CS..THydrogen-bonded Turntrans-106.914.4-172.1-67.1-65000113.3L401 L452 R458 L459 W460L401-F456 HydrophobicContact CD1-CD1 3.73Å; L401-F456 HydrophobicContact CD1-CE1 3.96Å; L401-F456 HydrophobicContact CD1-CG 4.33Å; L401-F456 HydrophobicContact CD2-CD1 3.96Å; L401-F456 HydrophobicContact CD2-CD2 4.32Å; L401-F456 HydrophobicContact CD2-CE1 3.52Å; L401-F456 HydrophobicContact CD2-CE2 3.92Å; L401-F456 HydrophobicContact CD2-CG 4.35Å; L401-F456 HydrophobicContact CD2-CZ 3.51Å; L401-F456 HydrophobicContact CG-CD1 4.49Å; L401-F456 HydrophobicContact CG-CE1 4.41Å; L452-F456 HydrophobicContact CD2-CD2 4.06Å; L452-F456 HydrophobicContact CD2-CE2 3.75Å; L452-F456 WeakPolarHBondContact O-CB 3.13Å; L452-F456 WeakPolarHBondContact O-CD2 3.27Å; L452-F456 PolarHBondContact O-N 3.15Å; F456-R458 CarbonylContact O-C 3.6Å; F456-R458 WeakPolarHBondContact O-CA 3.04Å; F456-R458 PolarHBondContact O-N 2.8Å; F456-L459 HydrophobicContact CB-CD1 4.3Å; F456-L459 HydrophobicContact CD1-CD1 4.33Å; F456-L459 WeakPolarHBondContact O-CB 3.24Å; F456-L459 WeakPolarHBondContact O-CD1 3.42Å; F456-L459 WeakPolarHBondContact O-CG 3.28Å; F456-L459 PolarHBondContact O-N 2.79Å; F456-W460 HydrophobicContact CB-CH2 4.36Å; F456-W460 HydrophobicContact CB-CZ3 3.8Å
457F57.4Low57.4Low15 Ų1560.5 Ų60.57%0.06630%0.304CS..THydrogen-bonded Turntrans44.322177.6-60.3-67.1000116.6N453 H454 L459 R467 Y468 S471 K472N453-F457 PolarHBondContact O-N 3.21Å; N453-F457 VanDerWaalsContact O-N 3.12Å; H454-F457 WeakPolarHBondContact O-CE1 3.28Å; H454-F457 WeakPolarHBondContact O-CZ 3.35Å; F457-L459 VanDerWaalsContact C-N 3.32Å; F457-L459 PolarHBondContact O-N 3.01Å; F457-R467 HydrophobicContact CB-CB 4.24Å; F457-R467 HydrophobicContact CD1-CB 4.43Å; F457-R467 PolarHBondContact O-NE 2.58Å; F457-R467 PolarHBondContact O-NH2 2.86Å; F457-Y468 AromaticContact CD2-CD2 3.72Å; F457-Y468 HydrophobicContact CD2-CD2 3.72Å; F457-Y468 HydrophobicContact CD2-CG 4.48Å; F457-Y468 AromaticContact CE2-CD2 3.74Å; F457-Y468 HydrophobicContact CE2-CD2 3.74Å; F457-Y468 HydrophobicContact CE2-CE2 4.39Å; F457-S471 WeakPolarHBondContact CE1-OG 3.32Å; F457-K472 HydrophobicContact CE2-CD 4.1Å; F457-K472 HydrophobicContact CE2-CG 3.9Å; F457-K472 HydrophobicContact CZ-CD 3.65Å; F457-K472 HydrophobicContact CZ-CG 3.73Å
458R61Low59.4Low111 Ų11157.4 Ų57.442%0.41929%0.287SS..THydrogen-bonded Turntrans43.659-162.6-43.6-177.3-160.5172.12.5111.4F456 W460 E461 R467F456-R458 CarbonylContact O-C 3.6Å; F456-R458 WeakPolarHBondContact O-CA 3.04Å; F456-R458 PolarHBondContact O-N 2.8Å; R458-W460 HydrophobicContact CB-CD2 4.43Å; R458-W460 HydrophobicContact CB-CZ2 3.87Å; R458-W460 HydrophobicContact CG-CZ2 3.93Å; R458-W460 PolarHBondContact O-N 3.16Å; R458-E461 HydrophobicContact CB-CB 4.08Å; R458-E461 HydrophobicContact CB-CG 4.37Å; R458-E461 VanDerWaalsContact CD-OE1 3.3Å; R458-E461 WeakPolarHBondContact CD-OE1 3.29Å; R458-E461 WeakPolarHBondContact CD-OE2 3.38Å; R458-E461 IonicContact CZ-OE2 3.47Å; R458-E461 IonicContact NE-OE2 3.79Å; R458-E461 IonicContact NH1-OE2 2.59Å; R458-E461 PolarHBondContact NH1-OE2 3.27Å; R458-E461 PolarHBondContact O-N 3.21Å; R458-R467 PolarHBondContact O-NH2 2.68Å
459L60.6Low61.3Low9 Ų956 Ų565%0.04728%0.277CS..THydrogen-bonded Turntrans-56.2-17.7178.3-81.8157.3000113.5F344 F394 I398 F456 F457 W464F344-L459 HydrophobicContact CE1-CD1 3.74Å; F344-L459 HydrophobicContact CZ-CD1 3.58Å; F344-L459 HydrophobicContact CZ-CD2 3.74Å; F344-L459 HydrophobicContact CZ-CG 4.27Å; F394-L459 HydrophobicContact CE2-CD2 3.9Å; F394-L459 HydrophobicContact CZ-CD2 3.94Å; I398-L459 WeakPolarHBondContact CD1-O 3.16Å; I398-L459 HydrophobicContact CG1-CB 4.26Å; F456-L459 HydrophobicContact CB-CD1 4.3Å; F456-L459 HydrophobicContact CD1-CD1 4.33Å; F456-L459 WeakPolarHBondContact O-CB 3.24Å; F456-L459 WeakPolarHBondContact O-CD1 3.42Å; F456-L459 WeakPolarHBondContact O-CG 3.28Å; F456-L459 PolarHBondContact O-N 2.79Å; F457-L459 VanDerWaalsContact C-N 3.32Å; F457-L459 PolarHBondContact O-N 3.01Å; L459-W464 HydrophobicContact CD2-CB 4.24Å; L459-W464 HydrophobicContact CD2-CD2 3.95Å; L459-W464 HydrophobicContact CD2-CE3 3.45Å; L459-W464 VanDerWaalsContact CD2-CE3 3.45Å; L459-W464 HydrophobicContact CD2-CG 4.28Å; L459-W464 HydrophobicContact CD2-CZ3 4.11Å
460W61.2Low63.4Low65 Ų6557.4 Ų57.425%0.24628%0.284CS..THydrogen-bonded Turntrans-85.4-6.2174.457.480000114.8I398 Q402 F456 R458I398-W460 HydrophobicContact CG2-CB 3.86Å; Q402-W460 HydrophobicContact CG-CB 3.72Å; Q402-W460 HydrophobicContact CG-CG 4.19Å; F456-W460 HydrophobicContact CB-CH2 4.36Å; F456-W460 HydrophobicContact CB-CZ3 3.8Å; R458-W460 HydrophobicContact CB-CD2 4.43Å; R458-W460 HydrophobicContact CB-CZ2 3.87Å; R458-W460 HydrophobicContact CG-CZ2 3.93Å; R458-W460 PolarHBondContact O-N 3.16Å
461E66.3Low65.3Low72 Ų7253.8 Ų53.834%0.33628%0.275SS..SBendtrans-108.5147.8176.6-83.4156.1-123.400109.7R458 W464 R467R458-E461 HydrophobicContact CB-CB 4.08Å; R458-E461 HydrophobicContact CB-CG 4.37Å; R458-E461 VanDerWaalsContact CD-OE1 3.3Å; R458-E461 WeakPolarHBondContact CD-OE1 3.29Å; R458-E461 WeakPolarHBondContact CD-OE2 3.38Å; R458-E461 IonicContact CZ-OE2 3.47Å; R458-E461 IonicContact NE-OE2 3.79Å; R458-E461 IonicContact NH1-OE2 2.59Å; R458-E461 PolarHBondContact NH1-OE2 3.27Å; R458-E461 PolarHBondContact O-N 3.21Å; E461-W464 VanDerWaalsContact O-CD1 3.31Å; E461-R467 PolarHBondContact O-NH2 3.25Å
462S69.5Low67.2Low111 Ų11152.2 Ų52.278%0.77626%0.264SS*.THydrogen-bonded Turntrans-54.2155.7171.549.50000111.9W464 R467S462-W464 VanDerWaalsContact C-N 3.34Å; S462-W464 PolarHBondContact O-N 3.09Å; S462-R467 VanDerWaalsContact O-CZ 3.3Å; S462-R467 PolarHBondContact O-NH1 3.42Å; S462-R467 PolarHBondContact O-NH2 2.93Å
463G76.2Confident69.1Low30 Ų3052.8 Ų52.831%0.30927%0.266SS..THydrogen-bonded Turntrans74.417-176.300000115.1E466 R467G463-E466 VanDerWaalsContact C-OE2 3.24Å; G463-E466 VanDerWaalsContact CA-OE2 3.24Å; G463-E466 WeakPolarHBondContact CA-OE2 3.46Å; G463-R467 WeakPolarHBondContact O-CG 3.41Å; G463-R467 PolarHBondContact O-N 2.6Å; G463-R467 VanDerWaalsContact O-N 3.13Å; G463-R467 PolarHBondContact O-NH1 3.26Å
464W73.3Confident70.8Confident43 Ų4359 Ų5916%0.16329%0.294CS..Hα-helixtrans-70.5-30.6-175.858.1-96.4000113.9F394 L459 E461 S462 Y468 F519F394-W464 HydrophobicContact CD1-CZ2 4.39Å; F394-W464 HydrophobicContact CE1-CD2 4.39Å; F394-W464 AromaticContact CE1-CE2 3.64Å; F394-W464 AromaticContact CE1-CH2 3.84Å; F394-W464 HydrophobicContact CE1-CH2 3.84Å; F394-W464 AromaticContact CE1-CZ2 3.36Å; F394-W464 HydrophobicContact CE1-CZ2 3.36Å; F394-W464 AromaticContact CE1-NE1 4Å; F394-W464 HydrophobicContact CE2-CE3 4.22Å; F394-W464 AromaticContact CE2-CH2 3.62Å; F394-W464 HydrophobicContact CE2-CH2 3.62Å; F394-W464 HydrophobicContact CE2-CZ2 4.02Å; F394-W464 AromaticContact CE2-CZ3 3.72Å; F394-W464 HydrophobicContact CE2-CZ3 3.72Å; F394-W464 AromaticContact CZ-CD2 3.66Å; F394-W464 HydrophobicContact CZ-CD2 3.66Å; F394-W464 AromaticContact CZ-CE2 3.33Å; F394-W464 AromaticContact CZ-CE3 3.74Å; F394-W464 HydrophobicContact CZ-CE3 3.74Å; F394-W464 AromaticContact CZ-CH2 3.24Å; F394-W464 HydrophobicContact CZ-CH2 3.24Å; F394-W464 AromaticContact CZ-CZ2 3.16Å; F394-W464 HydrophobicContact CZ-CZ2 3.16Å; F394-W464 AromaticContact CZ-CZ3 3.52Å; F394-W464 HydrophobicContact CZ-CZ3 3.52Å; L459-W464 HydrophobicContact CD2-CB 4.24Å; L459-W464 HydrophobicContact CD2-CD2 3.95Å; L459-W464 HydrophobicContact CD2-CE3 3.45Å; L459-W464 VanDerWaalsContact CD2-CE3 3.45Å; L459-W464 HydrophobicContact CD2-CG 4.28Å; L459-W464 HydrophobicContact CD2-CZ3 4.11Å; E461-W464 VanDerWaalsContact O-CD1 3.31Å; S462-W464 VanDerWaalsContact C-N 3.34Å; S462-W464 PolarHBondContact O-N 3.09Å; W464-Y468 WeakPolarHBondContact O-CB 3.21Å; W464-Y468 PolarHBondContact O-N 3.42Å; W464-F519 HydrophobicContact CE3-CE1 4.34Å; W464-F519 HydrophobicContact CE3-CE2 4.09Å; W464-F519 AromaticContact CE3-CZ 3.94Å; W464-F519 HydrophobicContact CE3-CZ 3.94Å; W464-F519 HydrophobicContact CH2-CD1 4.43Å; W464-F519 HydrophobicContact CH2-CD2 4.35Å; W464-F519 HydrophobicContact CH2-CG 4.23Å; W464-F519 AromaticContact CZ3-CD1 3.79Å; W464-F519 HydrophobicContact CZ3-CD1 3.79Å; W464-F519 AromaticContact CZ3-CD2 3.69Å; W464-F519 HydrophobicContact CZ3-CD2 3.69Å; W464-F519 AromaticContact CZ3-CE1 3.69Å; W464-F519 HydrophobicContact CZ3-CE1 3.69Å; W464-F519 AromaticContact CZ3-CE2 3.59Å; W464-F519 HydrophobicContact CZ3-CE2 3.59Å; W464-F519 AromaticContact CZ3-CG 3.77Å; W464-F519 HydrophobicContact CZ3-CG 3.77Å; W464-F519 AromaticContact CZ3-CZ 3.57Å; W464-F519 HydrophobicContact CZ3-CZ 3.57Å
465K76.3Confident71.7Confident39 Ų3953 Ų5317%0.1727%0.268CS..Hα-helixtrans-65.8-46.2175.1-75.1-169.5178.4-168.50110.1R467 Y468 F469 F519 S521 D522K465-R467 VanDerWaalsContact C-N 3.35Å; K465-R467 PolarHBondContact O-N 2.98Å; K465-Y468 WeakPolarHBondContact O-CB 3.19Å; K465-Y468 PolarHBondContact O-N 3.25Å; K465-Y468 VanDerWaalsContact O-N 3.08Å; K465-F469 WeakPolarHBondContact O-CD2 3.3Å; K465-F469 PolarHBondContact O-N 3Å; K465-F519 HydrophobicContact CG-CD2 4.1Å; K465-F519 HydrophobicContact CG-CE2 4.19Å; K465-S521 WeakPolarHBondContact CE-OG 3.21Å; K465-S521 PolarHBondContact NZ-OG 2.83Å; K465-D522 WeakPolarHBondContact CE-OD1 3.23Å; K465-D522 IonicContact NZ-OD1 3.76Å; K465-D522 PolarHBondContact NZ-OD1 2.97Å
466E78.6Confident72.3Confident63 Ų6354 Ų5429%0.29428%0.282SS..Hα-helixtrans-60.3-47.8-178.6-65.356.6-125.500109.1G463 Y468 L470 A477 R483G463-E466 VanDerWaalsContact C-OE2 3.24Å; G463-E466 VanDerWaalsContact CA-OE2 3.24Å; G463-E466 WeakPolarHBondContact CA-OE2 3.46Å; E466-Y468 VanDerWaalsContact C-N 3.33Å; E466-Y468 PolarHBondContact O-N 2.86Å; E466-L470 WeakPolarHBondContact O-CB 3.36Å; E466-L470 PolarHBondContact O-N 3.08Å; E466-A477 HydrophobicContact CB-CB 4.11Å; E466-A477 HydrophobicContact CG-CB 3.82Å; E466-R483 IonicContact OE1-CZ 2.71Å; E466-R483 VanDerWaalsContact OE1-CZ 3.27Å; E466-R483 IonicContact OE1-NH1 3.78Å; E466-R483 PolarHBondContact OE1-NH1 2.84Å; E466-R483 IonicContact OE1-NH2 2.7Å; E466-R483 PolarHBondContact OE1-NH2 3.47Å
467R81.9Confident72.3Confident73 Ų7354.4 Ų54.428%0.27529%0.293SS..Hα-helixtrans-61.3-36.6173.5-71.3-171.9-63.4-84.81.5113.5F457 R458 E461 S462 G463 K465 S471F457-R467 HydrophobicContact CB-CB 4.24Å; F457-R467 HydrophobicContact CD1-CB 4.43Å; F457-R467 PolarHBondContact O-NE 2.58Å; F457-R467 PolarHBondContact O-NH2 2.86Å; R458-R467 PolarHBondContact O-NH2 2.68Å; E461-R467 PolarHBondContact O-NH2 3.25Å; S462-R467 VanDerWaalsContact O-CZ 3.3Å; S462-R467 PolarHBondContact O-NH1 3.42Å; S462-R467 PolarHBondContact O-NH2 2.93Å; G463-R467 WeakPolarHBondContact O-CG 3.41Å; G463-R467 PolarHBondContact O-N 2.6Å; G463-R467 VanDerWaalsContact O-N 3.13Å; G463-R467 PolarHBondContact O-NH1 3.26Å; K465-R467 VanDerWaalsContact C-N 3.35Å; K465-R467 PolarHBondContact O-N 2.98Å; R467-S471 WeakPolarHBondContact O-CB 3.23Å; R467-S471 PolarHBondContact O-N 3.15Å
468Y81.7Confident72.2Confident5 Ų562.5 Ų62.52%0.0233%0.331CS..Hα-helixtrans-67.4-55.2177.3174.9-94.1000112V343 F457 W464 K465 E466 L470 S471 K472 M473 Y516 S517 F519V343-Y468 HydrophobicContact CG2-CE2 4.19Å; V343-Y468 WeakPolarHBondContact CG2-OH 3.29Å; F457-Y468 AromaticContact CD2-CD2 3.72Å; F457-Y468 HydrophobicContact CD2-CD2 3.72Å; F457-Y468 HydrophobicContact CD2-CG 4.48Å; F457-Y468 AromaticContact CE2-CD2 3.74Å; F457-Y468 HydrophobicContact CE2-CD2 3.74Å; F457-Y468 HydrophobicContact CE2-CE2 4.39Å; W464-Y468 WeakPolarHBondContact O-CB 3.21Å; W464-Y468 PolarHBondContact O-N 3.42Å; K465-Y468 WeakPolarHBondContact O-CB 3.19Å; K465-Y468 PolarHBondContact O-N 3.25Å; K465-Y468 VanDerWaalsContact O-N 3.08Å; E466-Y468 VanDerWaalsContact C-N 3.33Å; E466-Y468 PolarHBondContact O-N 2.86Å; Y468-L470 PolarHBondContact O-N 2.93Å; Y468-S471 PolarHBondContact O-N 3.39Å; Y468-K472 HydrophobicContact CD2-CG 3.91Å; Y468-K472 HydrophobicContact CE2-CB 4.48Å; Y468-K472 HydrophobicContact CE2-CG 3.8Å; Y468-K472 HydrophobicContact CG-CG 4.49Å; Y468-K472 VanDerWaalsContact O-CB 3.28Å; Y468-K472 WeakPolarHBondContact O-CB 3.4Å; Y468-K472 PolarHBondContact O-N 3.37Å; Y468-M473 HydrophobicContact CE1-CE 4.14Å; Y468-Y516 WeakPolarHBondContact OH-CB 3.39Å; Y468-S517 PolarHBondContact OH-O 2.81Å; Y468-F519 HydrophobicContact CD1-CD2 4.39Å; Y468-F519 AromaticContact CD1-CE2 3.34Å; Y468-F519 HydrophobicContact CD1-CE2 3.34Å; Y468-F519 AromaticContact CD1-CZ 3.48Å; Y468-F519 HydrophobicContact CD1-CZ 3.48Å; Y468-F519 VanDerWaalsContact CD1-CZ 3.48Å; Y468-F519 HydrophobicContact CD2-CE2 4.41Å; Y468-F519 AromaticContact CD2-CZ 3.7Å; Y468-F519 HydrophobicContact CD2-CZ 3.7Å; Y468-F519 AromaticContact CE1-CE2 3.92Å; Y468-F519 HydrophobicContact CE1-CE2 3.92Å; Y468-F519 AromaticContact CE1-CZ 3.93Å; Y468-F519 HydrophobicContact CE1-CZ 3.93Å; Y468-F519 HydrophobicContact CE2-CZ 4.12Å; Y468-F519 HydrophobicContact CG-CE1 4.49Å; Y468-F519 AromaticContact CG-CE2 3.63Å; Y468-F519 HydrophobicContact CG-CE2 3.63Å; Y468-F519 AromaticContact CG-CZ 3.34Å; Y468-F519 HydrophobicContact CG-CZ 3.34Å
469F83.2Confident72.6Confident1 Ų161 Ų610%0.00433%0.329CS..Hα-helixtrans-62.1-43.4-178.9-80.7-77000111.3K465 S471 M473 Q474 A475 F482 R483 F519K465-F469 WeakPolarHBondContact O-CD2 3.3Å; K465-F469 PolarHBondContact O-N 3Å; F469-S471 PolarHBondContact O-N 3.42Å; F469-M473 HydrophobicContact CD1-CG 4.44Å; F469-M473 HydrophobicContact CD1-SD 3.5Å; F469-M473 VanDerWaalsContact CD1-SD 3.5Å; F469-M473 HydrophobicContact CE1-CE 4.18Å; F469-M473 HydrophobicContact CE1-SD 3.56Å; F469-M473 VanDerWaalsContact CE1-SD 3.56Å; F469-M473 CarbonylContact O-C 3.55Å; F469-M473 WeakPolarHBondContact O-CA 3.18Å; F469-M473 WeakPolarHBondContact O-CB 3.47Å; F469-M473 PolarHBondContact O-N 2.86Å; F469-Q474 PolarHBondContact O-N 3.05Å; F469-A475 CarbonylContact C-O 3.58Å; F469-A475 PolarHBondContact O-N 3.29Å; F469-F482 HydrophobicContact CD1-CD1 4.24Å; F469-F482 HydrophobicContact CD1-CE1 4.15Å; F469-R483 HydrophobicContact CD1-CG 4.38Å; F469-R483 HydrophobicContact CD2-CG 4.14Å; F469-R483 HydrophobicContact CE1-CB 4.47Å; F469-R483 HydrophobicContact CE1-CG 4.15Å; F469-R483 HydrophobicContact CE2-CB 4.45Å; F469-R483 HydrophobicContact CE2-CG 3.91Å; F469-R483 HydrophobicContact CG-CG 4.39Å; F469-R483 HydrophobicContact CZ-CB 4.11Å; F469-R483 HydrophobicContact CZ-CG 3.92Å; F469-F519 HydrophobicContact CE2-CD2 4.01Å; F469-F519 HydrophobicContact CE2-CE2 4.11Å
470L83.3Confident73.2Confident104 Ų10464.6 Ų64.655%0.54535%0.353SS..Hα-helixtrans-61.3-46.1176.1-175.665.6000112.2E466 Y468 Q474 A475E466-L470 WeakPolarHBondContact O-CB 3.36Å; E466-L470 PolarHBondContact O-N 3.08Å; Y468-L470 PolarHBondContact O-N 2.93Å; L470-Q474 VanDerWaalsContact O-CA 3.31Å; L470-Q474 WeakPolarHBondContact O-CA 3.43Å; L470-Q474 PolarHBondContact O-N 3.36Å; L470-A475 VanDerWaalsContact CA-O 3.26Å; L470-A475 WeakPolarHBondContact CA-O 3.47Å; L470-A475 PolarHBondContact N-O 3.46Å
471S80.4Confident74.3Confident71 Ų7167.8 Ų67.850%0.49737%0.374SS..Hα-helixtrans-84.4-25.4-175-177.10000114.9F457 R467 Y468 F469F457-S471 WeakPolarHBondContact CE1-OG 3.32Å; R467-S471 WeakPolarHBondContact O-CB 3.23Å; R467-S471 PolarHBondContact O-N 3.15Å; Y468-S471 PolarHBondContact O-N 3.39Å; F469-S471 PolarHBondContact O-N 3.42Å
472K83.4Confident75.3Confident23 Ų2365.6 Ų65.610%0.136%0.364CS..Hα-helixtrans-98.9-38.3-178.6-68.1-49.4-155.7-163.90113.1F457 Y468 Y516 D584F457-K472 HydrophobicContact CE2-CD 4.1Å; F457-K472 HydrophobicContact CE2-CG 3.9Å; F457-K472 HydrophobicContact CZ-CD 3.65Å; F457-K472 HydrophobicContact CZ-CG 3.73Å; Y468-K472 HydrophobicContact CD2-CG 3.91Å; Y468-K472 HydrophobicContact CE2-CB 4.48Å; Y468-K472 HydrophobicContact CE2-CG 3.8Å; Y468-K472 HydrophobicContact CG-CG 4.49Å; Y468-K472 VanDerWaalsContact O-CB 3.28Å; Y468-K472 WeakPolarHBondContact O-CB 3.4Å; Y468-K472 PolarHBondContact O-N 3.37Å; K472-Y516 HydrophobicContact CB-CD1 4.38Å; K472-Y516 HydrophobicContact CB-CD2 3.8Å; K472-Y516 HydrophobicContact CB-CE1 4.47Å; K472-Y516 HydrophobicContact CB-CE2 3.92Å; K472-Y516 HydrophobicContact CB-CG 4.03Å; K472-Y516 HydrophobicContact CD-CD1 4.22Å; K472-Y516 HydrophobicContact CD-CE1 3.7Å; K472-Y516 HydrophobicContact CD-CE2 4.25Å; K472-Y516 HydrophobicContact CG-CD1 4.33Å; K472-Y516 HydrophobicContact CG-CE1 4.29Å; K472-Y516 HydrophobicContact CG-CG 4.46Å; K472-Y516 WeakPolarHBondContact O-CD2 3.39Å; K472-Y516 WeakPolarHBondContact O-CE2 3.3Å; K472-D584 WeakPolarHBondContact CE-OD2 3.47Å; K472-D584 IonicContact NZ-OD1 3.54Å; K472-D584 PolarHBondContact NZ-OD1 3.21Å; K472-D584 VanDerWaalsContact NZ-OD1 3.14Å; K472-D584 IonicContact NZ-OD2 2.72Å; K472-D584 PolarHBondContact NZ-OD2 2.92Å
473M81.8Confident76Confident27 Ų2762 Ų6213%0.13333%0.333CS..Hα-helixtrans-113.41-173.5-59.1-177.9-177.900113Y468 F469 A475 F482 V486 Y516Y468-M473 HydrophobicContact CE1-CE 4.14Å; F469-M473 HydrophobicContact CD1-CG 4.44Å; F469-M473 HydrophobicContact CD1-SD 3.5Å; F469-M473 VanDerWaalsContact CD1-SD 3.5Å; F469-M473 HydrophobicContact CE1-CE 4.18Å; F469-M473 HydrophobicContact CE1-SD 3.56Å; F469-M473 VanDerWaalsContact CE1-SD 3.56Å; F469-M473 CarbonylContact O-C 3.55Å; F469-M473 WeakPolarHBondContact O-CA 3.18Å; F469-M473 WeakPolarHBondContact O-CB 3.47Å; F469-M473 PolarHBondContact O-N 2.86Å; M473-A475 HydrophobicContact CB-CB 4.46Å; M473-A475 PolarHBondContact O-N 3.13Å; M473-F482 HydrophobicContact CB-CE1 3.86Å; M473-F482 HydrophobicContact CB-CZ 4.04Å; M473-F482 HydrophobicContact CG-CE1 4.42Å; M473-F482 HydrophobicContact SD-CE1 3.72Å; M473-F482 HydrophobicContact SD-CZ 4.31Å; M473-V486 HydrophobicContact CE-CG1 3.91Å; M473-V486 HydrophobicContact SD-CG1 4.25Å; M473-V486 HydrophobicContact SD-CG2 3.96Å; M473-Y516 WeakPolarHBondContact CE-O 3.47Å; M473-Y516 HydrophobicContact CG-CD2 4.5Å
474Q76.7Confident76.4Confident179 Ų17963.7 Ų63.784%0.83634%0.34SS*.  trans57.914.5-176.7-56.3179.85.700113.9F469 L470F469-Q474 PolarHBondContact O-N 3.05Å; L470-Q474 VanDerWaalsContact O-CA 3.31Å; L470-Q474 WeakPolarHBondContact O-CA 3.43Å; L470-Q474 PolarHBondContact O-N 3.36Å
475A69.2Low77.2Confident11 Ų1167 Ų679%0.09135%0.353CS..  trans-90.7128.9-178.700000110.7F469 L470 M473 F482F469-A475 CarbonylContact C-O 3.58Å; F469-A475 PolarHBondContact O-N 3.29Å; L470-A475 VanDerWaalsContact CA-O 3.26Å; L470-A475 WeakPolarHBondContact CA-O 3.47Å; L470-A475 PolarHBondContact N-O 3.46Å; M473-A475 HydrophobicContact CB-CB 4.46Å; M473-A475 PolarHBondContact O-N 3.13Å; A475-F482 HydrophobicContact CB-CD1 3.5Å; A475-F482 HydrophobicContact CB-CD2 4.33Å; A475-F482 HydrophobicContact CB-CE1 3.48Å; A475-F482 VanDerWaalsContact CB-CE1 3.48Å; A475-F482 HydrophobicContact CB-CE2 4.32Å; A475-F482 HydrophobicContact CB-CG 3.95Å; A475-F482 HydrophobicContact CB-CZ 3.92Å
476G62.3Low77.8Confident40 Ų4065.1 Ų65.141%0.41234%0.344SS..  trans-61158.4177.100000112.9E478G476-E478 PolarHBondContact O-N 3.36Å; G476-E478 VanDerWaalsContact O-N 3.13Å
477A53.3Low78.2Confident50 Ų5062.2 Ų62.241%0.41333%0.331SS..THydrogen-bonded Turntrans-59.8-25.2179.200000113.3E466 R483E466-A477 HydrophobicContact CB-CB 4.11Å; E466-A477 HydrophobicContact CG-CB 3.82Å; A477-R483 PolarHBondContact O-NH2 2.68Å
478E56.2Low78.6Confident186 Ų18662.6 Ų62.687%0.86934%0.335SS*.THydrogen-bonded Turntrans-87.83-167.2-56-163.7159.700115.9G476 P480G476-E478 PolarHBondContact O-N 3.36Å; G476-E478 VanDerWaalsContact O-N 3.13Å; E478-P480 WeakPolarHBondContact O-CD 3.42Å
479E68.6Low79Confident78 Ų7864.6 Ų64.636%0.36434%0.344SS..  trans-107.676.3176.6-153.9-172.316200112.4L481 F482 R483 R485E479-L481 HydrophobicContact CG-CB 4.32Å; E479-L481 PolarHBondContact O-N 2.64Å; E479-F482 HydrophobicContact CB-CB 3.88Å; E479-F482 HydrophobicContact CG-CB 3.84Å; E479-F482 VanDerWaalsContact O-CB 3.32Å; E479-F482 WeakPolarHBondContact O-CB 3.43Å; E479-F482 PolarHBondContact O-N 3.22Å; E479-R483 PolarHBondContact O-N 2.7Å; E479-R485 IonicContact OE1-CZ 3.51Å; E479-R485 IonicContact OE1-NH2 3.37Å; E479-R485 PolarHBondContact OE1-NH2 3.11Å
480P74.8Confident79.2Confident86 Ų8664.6 Ų64.656%0.55834%0.344SS*.Hα-helixtrans-50.7-36.3169.2-28.333.9000113.1E478 F482 R483 S484E478-P480 WeakPolarHBondContact O-CD 3.42Å; P480-F482 VanDerWaalsContact C-N 3.25Å; P480-F482 PolarHBondContact O-N 2.92Å; P480-R483 PolarHBondContact O-N 3.22Å; P480-R483 VanDerWaalsContact O-N 3.16Å; P480-S484 PolarHBondContact O-N 3.48Å; P480-S484 PolarHBondContact O-OG 3.35Å
481L83.4Confident79.5Confident131 Ų13159.7 Ų59.769%0.68632%0.319SS*.Hα-helixtrans-59.7-33.3175.9-62.5178000112.5E479 R485E479-L481 HydrophobicContact CG-CB 4.32Å; E479-L481 PolarHBondContact O-N 2.64Å; L481-R485 VanDerWaalsContact O-CB 3.3Å; L481-R485 WeakPolarHBondContact O-CB 3.46Å; L481-R485 PolarHBondContact O-N 3.19Å
482F86.5Confident80Confident27 Ų2757.6 Ų57.612%0.11830%0.301CS..Hα-helixtrans-67-47.3174-174.9-92.8000111.3F469 M473 A475 E479 P480 S484 R485 V486 F514F469-F482 HydrophobicContact CD1-CD1 4.24Å; F469-F482 HydrophobicContact CD1-CE1 4.15Å; M473-F482 HydrophobicContact CB-CE1 3.86Å; M473-F482 HydrophobicContact CB-CZ 4.04Å; M473-F482 HydrophobicContact CG-CE1 4.42Å; M473-F482 HydrophobicContact SD-CE1 3.72Å; M473-F482 HydrophobicContact SD-CZ 4.31Å; A475-F482 HydrophobicContact CB-CD1 3.5Å; A475-F482 HydrophobicContact CB-CD2 4.33Å; A475-F482 HydrophobicContact CB-CE1 3.48Å; A475-F482 VanDerWaalsContact CB-CE1 3.48Å; A475-F482 HydrophobicContact CB-CE2 4.32Å; A475-F482 HydrophobicContact CB-CG 3.95Å; A475-F482 HydrophobicContact CB-CZ 3.92Å; E479-F482 HydrophobicContact CB-CB 3.88Å; E479-F482 HydrophobicContact CG-CB 3.84Å; E479-F482 VanDerWaalsContact O-CB 3.32Å; E479-F482 WeakPolarHBondContact O-CB 3.43Å; E479-F482 PolarHBondContact O-N 3.22Å; P480-F482 VanDerWaalsContact C-N 3.25Å; P480-F482 PolarHBondContact O-N 2.92Å; F482-S484 VanDerWaalsContact C-N 3.29Å; F482-S484 PolarHBondContact O-N 3.06Å; F482-R485 WeakPolarHBondContact O-CB 3.38Å; F482-R485 PolarHBondContact O-N 2.91Å; F482-V486 HydrophobicContact CD1-CG2 3.93Å; F482-V486 HydrophobicContact CE1-CG2 3.57Å; F482-V486 HydrophobicContact CZ-CG2 3.95Å; F482-V486 WeakPolarHBondContact O-CG2 3.28Å; F482-V486 PolarHBondContact O-N 3.39Å; F482-F514 HydrophobicContact CE2-CE1 4.02Å; F482-F514 HydrophobicContact CZ-CD1 4.26Å; F482-F514 AromaticContact CZ-CE1 3.86Å; F482-F514 HydrophobicContact CZ-CE1 3.86Å
483R85.1Confident80.3Confident35 Ų3556.5 Ų56.513%0.13230%0.296CS..Hα-helixtrans-59.4-42.8178.7-52.8-173.5-162.7-168.56.2111E466 F469 A477 E479 P480 V486 A487E466-R483 IonicContact OE1-CZ 2.71Å; E466-R483 VanDerWaalsContact OE1-CZ 3.27Å; E466-R483 IonicContact OE1-NH1 3.78Å; E466-R483 PolarHBondContact OE1-NH1 2.84Å; E466-R483 IonicContact OE1-NH2 2.7Å; E466-R483 PolarHBondContact OE1-NH2 3.47Å; F469-R483 HydrophobicContact CD1-CG 4.38Å; F469-R483 HydrophobicContact CD2-CG 4.14Å; F469-R483 HydrophobicContact CE1-CB 4.47Å; F469-R483 HydrophobicContact CE1-CG 4.15Å; F469-R483 HydrophobicContact CE2-CB 4.45Å; F469-R483 HydrophobicContact CE2-CG 3.91Å; F469-R483 HydrophobicContact CG-CG 4.39Å; F469-R483 HydrophobicContact CZ-CB 4.11Å; F469-R483 HydrophobicContact CZ-CG 3.92Å; A477-R483 PolarHBondContact O-NH2 2.68Å; E479-R483 PolarHBondContact O-N 2.7Å; P480-R483 PolarHBondContact O-N 3.22Å; P480-R483 VanDerWaalsContact O-N 3.16Å; R483-V486 PolarHBondContact O-N 3.17Å; R483-A487 PolarHBondContact O-N 3.09Å
484S85.4Confident80.6Confident66 Ų6655.7 Ų55.746%0.46229%0.293SS..Hα-helixtrans-64.4-37.6174-59.30000113.1P480 F482 A487 F488P480-S484 PolarHBondContact O-N 3.48Å; P480-S484 PolarHBondContact O-OG 3.35Å; F482-S484 VanDerWaalsContact C-N 3.29Å; F482-S484 PolarHBondContact O-N 3.06Å; S484-A487 PolarHBondContact O-N 3.48Å; S484-F488 WeakPolarHBondContact O-CB 3.22Å; S484-F488 PolarHBondContact O-N 2.82Å
485R88.8Confident81.2Confident112 Ų11247.6 Ų47.642%0.42326%0.256SS..Hα-helixtrans-65.9-40.9176.3-164.6-173.3-42.8163.116.3112.3E479 L481 F482 F488 H489E479-R485 IonicContact OE1-CZ 3.51Å; E479-R485 IonicContact OE1-NH2 3.37Å; E479-R485 PolarHBondContact OE1-NH2 3.11Å; L481-R485 VanDerWaalsContact O-CB 3.3Å; L481-R485 WeakPolarHBondContact O-CB 3.46Å; L481-R485 PolarHBondContact O-N 3.19Å; F482-R485 WeakPolarHBondContact O-CB 3.38Å; F482-R485 PolarHBondContact O-N 2.91Å; R485-F488 PolarHBondContact O-N 3Å; R485-H489 PolarHBondContact O-CD2 3.05Å; R485-H489 VanDerWaalsContact O-CD2 3.3Å; R485-H489 PolarHBondContact O-N 3.43Å; R485-H489 VanDerWaalsContact O-N 3.11Å
486V88.9Confident82.3Confident0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-64.1-43.9173.4179.30000110.5M473 F482 R483 Y490 Y512 F514 P518M473-V486 HydrophobicContact CE-CG1 3.91Å; M473-V486 HydrophobicContact SD-CG1 4.25Å; M473-V486 HydrophobicContact SD-CG2 3.96Å; F482-V486 HydrophobicContact CD1-CG2 3.93Å; F482-V486 HydrophobicContact CE1-CG2 3.57Å; F482-V486 HydrophobicContact CZ-CG2 3.95Å; F482-V486 WeakPolarHBondContact O-CG2 3.28Å; F482-V486 PolarHBondContact O-N 3.39Å; R483-V486 PolarHBondContact O-N 3.17Å; V486-Y490 WeakPolarHBondContact O-CB 3.47Å; V486-Y490 PolarHBondContact O-N 3.37Å; V486-Y490 VanDerWaalsContact O-N 3.12Å; V486-Y512 VanDerWaalsContact CG1-OH 3.31Å; V486-Y512 WeakPolarHBondContact CG1-OH 3.29Å; V486-F514 HydrophobicContact CB-CD2 4.46Å; V486-F514 HydrophobicContact CB-CE2 4.22Å; V486-F514 HydrophobicContact CB-CZ 4.45Å; V486-F514 HydrophobicContact CG1-CD2 4.21Å; V486-F514 HydrophobicContact CG1-CE2 4.46Å; V486-F514 HydrophobicContact CG2-CD1 4.07Å; V486-F514 HydrophobicContact CG2-CD2 4.17Å; V486-F514 HydrophobicContact CG2-CE1 3.77Å; V486-F514 HydrophobicContact CG2-CE2 3.88Å; V486-F514 HydrophobicContact CG2-CG 4.26Å; V486-F514 HydrophobicContact CG2-CZ 3.67Å; V486-P518 HydrophobicContact CB-CB 4.46Å; V486-P518 HydrophobicContact CG1-CB 3.81Å; V486-P518 HydrophobicContact CG1-CG 4.01Å
487A87.3Confident83.5Confident2 Ų246.6 Ų46.62%0.01724%0.239CC..Hα-helixtrans-60.8-45173.500000112.5R483 S484 Y490 V491 P518 D522 F523R483-A487 PolarHBondContact O-N 3.09Å; S484-A487 PolarHBondContact O-N 3.48Å; A487-Y490 WeakPolarHBondContact O-CB 3.32Å; A487-Y490 PolarHBondContact O-N 2.88Å; A487-Y490 VanDerWaalsContact O-N 3.16Å; A487-V491 WeakPolarHBondContact O-CG2 3.35Å; A487-V491 PolarHBondContact O-N 3.19Å; A487-P518 HydrophobicContact CB-CG 4.46Å; A487-D522 WeakPolarHBondContact CB-O 3.4Å; A487-F523 HydrophobicContact CB-CD1 4.28Å; A487-F523 HydrophobicContact CB-CE1 4.47Å; A487-F523 HydrophobicContact CB-CG 4.33Å
488F89.7Confident85.2Confident81 Ų8144.2 Ų44.236%0.35522%0.22SC..Hα-helixtrans-55.2-56.9178178.8-84.9000111.8S484 R485 Y490 V491 E492 M529S484-F488 WeakPolarHBondContact O-CB 3.22Å; S484-F488 PolarHBondContact O-N 2.82Å; R485-F488 PolarHBondContact O-N 3Å; F488-Y490 PolarHBondContact O-N 3.33Å; F488-V491 PolarHBondContact O-N 3.4Å; F488-V491 VanDerWaalsContact O-N 3.14Å; F488-E492 WeakPolarHBondContact O-CB 3.18Å; F488-E492 PolarHBondContact O-N 2.77Å; F488-M529 HydrophobicContact CB-CE 4.33Å; F488-M529 HydrophobicContact CD2-CE 3.32Å; F488-M529 HydrophobicContact CD2-CG 4.17Å; F488-M529 HydrophobicContact CD2-SD 3.79Å; F488-M529 HydrophobicContact CE2-CE 3.66Å; F488-M529 HydrophobicContact CE2-CG 4.32Å; F488-M529 HydrophobicContact CE2-SD 4.41Å; F488-M529 HydrophobicContact CG-CE 3.88Å; F488-M529 HydrophobicContact CZ-CE 4.45Å
489H90.4Very high86.8Confident47 Ų4737.5 Ų37.522%0.21819%0.186CC..Hα-helixtrans-64.5-24.9179.2-73-61.4000113R485 E492 G493 Y512 F514R485-H489 PolarHBondContact O-CD2 3.05Å; R485-H489 VanDerWaalsContact O-CD2 3.3Å; R485-H489 PolarHBondContact O-N 3.43Å; R485-H489 VanDerWaalsContact O-N 3.11Å; H489-E492 IonicContact CE1-OE2 3.57Å; H489-E492 IonicContact CG-OE2 2.87Å; H489-E492 IonicContact ND1-OE2 3.5Å; H489-E492 PolarHBondContact ND1-OE2 3.48Å; H489-G493 PolarHBondContact O-N 3.26Å; H489-Y512 HydrophobicContact CB-CD2 4Å; H489-Y512 HydrophobicContact CB-CE2 4.15Å; H489-F514 HydrophobicContact CB-CE2 4.19Å; H489-F514 AromaticContact CD2-CE2 3.82Å
490Y88.2Confident87.9Confident1 Ų134.4 Ų34.40%0.00417%0.171CC..Hα-helixtrans-70.8-43.8173.7-163.7-79.6000111.6C337 F340 F342 V486 A487 F488 E492 G493 L494 Y512 P518 F523C337-Y490 PolarHBondContact O-OH 2.91Å; F340-Y490 HydrophobicContact CB-CE2 3.63Å; F340-Y490 WeakPolarHBondContact CB-OH 3.4Å; F340-Y490 HydrophobicContact CG-CE2 4.36Å; F342-Y490 AromaticContact CD2-CE1 3.94Å; F342-Y490 HydrophobicContact CD2-CE1 3.94Å; F342-Y490 HydrophobicContact CD2-CE2 4.24Å; F342-Y490 AromaticContact CD2-CZ 3.62Å; F342-Y490 WeakPolarHBondContact CD2-OH 3.46Å; F342-Y490 HydrophobicContact CE2-CE1 4.26Å; V486-Y490 WeakPolarHBondContact O-CB 3.47Å; V486-Y490 PolarHBondContact O-N 3.37Å; V486-Y490 VanDerWaalsContact O-N 3.12Å; A487-Y490 WeakPolarHBondContact O-CB 3.32Å; A487-Y490 PolarHBondContact O-N 2.88Å; A487-Y490 VanDerWaalsContact O-N 3.16Å; F488-Y490 PolarHBondContact O-N 3.33Å; Y490-E492 VanDerWaalsContact C-N 3.33Å; Y490-G493 PolarHBondContact O-N 3.37Å; Y490-L494 HydrophobicContact CD1-CD1 4.06Å; Y490-L494 HydrophobicContact CD1-CG 4.13Å; Y490-L494 HydrophobicContact CE1-CD1 3.96Å; Y490-L494 HydrophobicContact CE1-CD2 4.12Å; Y490-L494 HydrophobicContact CE1-CG 4.02Å; Y490-L494 WeakPolarHBondContact O-CG 3.38Å; Y490-L494 PolarHBondContact O-N 2.92Å; Y490-Y512 AromaticContact CD2-CE2 3.99Å; Y490-Y512 HydrophobicContact CD2-CE2 3.99Å; Y490-Y512 AromaticContact CD2-CZ 3.99Å; Y490-Y512 HydrophobicContact CG-CE2 4.42Å; Y490-P518 VanDerWaalsContact CD2-CD 3.45Å; Y490-P518 HydrophobicContact CD2-CG 4.21Å; Y490-P518 HydrophobicContact CG-CG 4.12Å; Y490-F523 AromaticContact CD1-CE1 3.79Å; Y490-F523 HydrophobicContact CD1-CE1 3.79Å; Y490-F523 AromaticContact CD1-CZ 3.53Å; Y490-F523 HydrophobicContact CD1-CZ 3.53Å; Y490-F523 HydrophobicContact CE1-CZ 4.21Å; Y490-F523 HydrophobicContact CG-CE1 4.27Å; Y490-F523 AromaticContact CG-CZ 3.9Å; Y490-F523 HydrophobicContact CG-CZ 3.9Å
491V89.1Confident88.6Confident1 Ų131 Ų311%0.00615%0.147CC..Hα-helixtrans-64.9-40.2174.1-175.60000110.8L378 A487 F488 G493 L494 C495 F523 I526 M529 I531L378-V491 HydrophobicContact CD1-CG1 4.22Å; L378-V491 HydrophobicContact CD2-CG1 3.53Å; L378-V491 HydrophobicContact CG-CG1 4.5Å; A487-V491 WeakPolarHBondContact O-CG2 3.35Å; A487-V491 PolarHBondContact O-N 3.19Å; F488-V491 PolarHBondContact O-N 3.4Å; F488-V491 VanDerWaalsContact O-N 3.14Å; V491-G493 VanDerWaalsContact C-N 3.3Å; V491-G493 PolarHBondContact O-N 3.14Å; V491-L494 PolarHBondContact O-N 2.89Å; V491-C495 PolarHBondContact O-N 3.45Å; V491-F523 HydrophobicContact CG2-CD1 3.45Å; V491-F523 VanDerWaalsContact CG2-CD1 3.45Å; V491-F523 HydrophobicContact CG2-CE1 3.55Å; V491-I526 HydrophobicContact CG1-CD1 4.47Å; V491-I526 HydrophobicContact CG2-CB 4.25Å; V491-I526 HydrophobicContact CG2-CD1 3.92Å; V491-I526 HydrophobicContact CG2-CG2 4.01Å; V491-M529 HydrophobicContact CB-CE 3.78Å; V491-M529 HydrophobicContact CG1-CE 4.05Å; V491-M529 HydrophobicContact CG2-CE 4.37Å; V491-I531 HydrophobicContact CB-CD1 4.4Å; V491-I531 HydrophobicContact CG1-CD1 3.77Å
492E91.2Very high89Confident27 Ų2725.1 Ų25.113%0.12612%0.116CC..Hα-helixtrans-53.5-47.6171.7-163.7-174.6-162.700111F488 H489 Y490 L494 C495 W496 W510 I531 F533F488-E492 WeakPolarHBondContact O-CB 3.18Å; F488-E492 PolarHBondContact O-N 2.77Å; H489-E492 IonicContact CE1-OE2 3.57Å; H489-E492 IonicContact CG-OE2 2.87Å; H489-E492 IonicContact ND1-OE2 3.5Å; H489-E492 PolarHBondContact ND1-OE2 3.48Å; Y490-E492 VanDerWaalsContact C-N 3.33Å; E492-L494 PolarHBondContact O-N 3.23Å; E492-C495 WeakPolarHBondContact O-CB 3.43Å; E492-C495 PolarHBondContact O-N 2.87Å; E492-W496 PolarHBondContact O-N 2.94Å; E492-W510 VanDerWaalsContact CD-CD1 3.5Å; E492-W510 PolarHBondContact OE1-NE1 2.93Å; E492-W510 PolarHBondContact OE2-NE1 3.26Å; E492-I531 HydrophobicContact CG-CG2 4.15Å; E492-F533 HydrophobicContact CG-CE1 3.7Å; E492-F533 HydrophobicContact CG-CZ 3.97Å
493G89.6Confident89.2Confident0 Ų025.2 Ų25.20%012%0.117CC..Hα-helixtrans-64.7-34.7175.900000115.4F340 H489 Y490 V491 W496 V497F340-G493 WeakPolarHBondContact CE2-O 3.34Å; H489-G493 PolarHBondContact O-N 3.26Å; Y490-G493 PolarHBondContact O-N 3.37Å; V491-G493 VanDerWaalsContact C-N 3.3Å; V491-G493 PolarHBondContact O-N 3.14Å; G493-W496 PolarHBondContact O-N 3.38Å; G493-V497 WeakPolarHBondContact O-CG2 3.38Å; G493-V497 PolarHBondContact O-N 3.33Å
494L87Confident89.6Confident10 Ų1024.2 Ų24.25%0.05212%0.118CC..Hα-helixtrans-65.4-40.9172.1-66.6177.7000111.6F340 L376 Y490 V491 E492 L498F340-L494 HydrophobicContact CD2-CD2 4.11Å; F340-L494 HydrophobicContact CE2-CD2 4.47Å; L376-L494 HydrophobicContact CD1-CB 3.91Å; Y490-L494 HydrophobicContact CD1-CD1 4.06Å; Y490-L494 HydrophobicContact CD1-CG 4.13Å; Y490-L494 HydrophobicContact CE1-CD1 3.96Å; Y490-L494 HydrophobicContact CE1-CD2 4.12Å; Y490-L494 HydrophobicContact CE1-CG 4.02Å; Y490-L494 WeakPolarHBondContact O-CG 3.38Å; Y490-L494 PolarHBondContact O-N 2.92Å; V491-L494 PolarHBondContact O-N 2.89Å; E492-L494 PolarHBondContact O-N 3.23Å; L494-L498 WeakPolarHBondContact O-CB 3.39Å; L494-L498 PolarHBondContact O-N 3.1Å; L494-L498 VanDerWaalsContact O-N 3.11Å
495C90.5Very high89.9Confident9 Ų922.7 Ų22.76%0.06111%0.106CC..Hα-helixtrans-64-41.4172-82.20000112.1V491 E492 R499 I531 F533V491-C495 PolarHBondContact O-N 3.45Å; E492-C495 WeakPolarHBondContact O-CB 3.43Å; E492-C495 PolarHBondContact O-N 2.87Å; C495-R499 WeakPolarHBondContact O-CG 3.35Å; C495-R499 PolarHBondContact O-N 3.06Å; C495-I531 HydrophobicContact CB-CD1 4.07Å; C495-I531 HydrophobicContact CB-CG2 3.95Å; C495-I531 VanDerWaalsContact SG-CD1 3.51Å; C495-F533 HydrophobicContact CB-CE2 4.38Å; C495-F533 HydrophobicContact CB-CZ 4.44Å
496W91.8Very high90.1Very high9 Ų918.4 Ų18.43%0.03410%0.095CC..Hα-helixtrans-62.7-51.3179-173.792.8000111.5P106 A108 E492 G493 L498 R499 Y500 S507 W510 F533P106-W496 HydrophobicContact CB-CH2 3.85Å; P106-W496 HydrophobicContact CB-CZ2 3.55Å; P106-W496 HydrophobicContact CG-CH2 4.09Å; P106-W496 HydrophobicContact CG-CZ2 4Å; A108-W496 HydrophobicContact CB-CE3 4.3Å; A108-W496 HydrophobicContact CB-CH2 3.93Å; A108-W496 HydrophobicContact CB-CZ2 4.25Å; A108-W496 HydrophobicContact CB-CZ3 3.95Å; E492-W496 PolarHBondContact O-N 2.94Å; G493-W496 PolarHBondContact O-N 3.38Å; W496-L498 PolarHBondContact O-N 3.28Å; W496-R499 PolarHBondContact O-N 3.38Å; W496-Y500 AromaticContact CH2-CD1 3.4Å; W496-Y500 HydrophobicContact CH2-CD1 3.4Å; W496-Y500 VanDerWaalsContact CH2-CD1 3.4Å; W496-Y500 AromaticContact CH2-CE1 3.78Å; W496-Y500 HydrophobicContact CH2-CE1 3.78Å; W496-Y500 AromaticContact CH2-CG 3.93Å; W496-Y500 HydrophobicContact CH2-CG 3.93Å; W496-Y500 HydrophobicContact CZ2-CD1 4.31Å; W496-Y500 HydrophobicContact CZ2-CG 4.44Å; W496-Y500 AromaticContact CZ3-CD1 3.59Å; W496-Y500 HydrophobicContact CZ3-CD1 3.59Å; W496-Y500 HydrophobicContact CZ3-CE1 4.29Å; W496-Y500 HydrophobicContact CZ3-CG 4.18Å; W496-Y500 WeakPolarHBondContact O-CB 3.48Å; W496-Y500 PolarHBondContact O-N 2.94Å; W496-S507 PolarHBondContact NE1-O 3.12Å; W496-W510 HydrophobicContact CB-CD2 4.18Å; W496-W510 HydrophobicContact CB-CE3 3.78Å; W496-W510 HydrophobicContact CB-CZ3 4.03Å; W496-W510 AromaticContact CD1-CD2 3.96Å; W496-W510 AromaticContact CD1-CE3 3.67Å; W496-W510 AromaticContact CD2-CE3 3.66Å; W496-W510 HydrophobicContact CD2-CE3 3.66Å; W496-W510 HydrophobicContact CD2-CZ3 4.03Å; W496-W510 HydrophobicContact CE3-CE3 4.21Å; W496-W510 HydrophobicContact CE3-CZ3 4.14Å; W496-W510 HydrophobicContact CG-CD2 4Å; W496-W510 AromaticContact CG-CE3 3.41Å; W496-W510 HydrophobicContact CG-CE3 3.41Å; W496-W510 VanDerWaalsContact CG-CE3 3.41Å; W496-W510 AromaticContact CG-CZ3 3.98Å; W496-W510 HydrophobicContact CG-CZ3 3.98Å; W496-F533 HydrophobicContact CB-CE1 4.19Å; W496-F533 HydrophobicContact CB-CE2 4.18Å; W496-F533 HydrophobicContact CB-CZ 3.61Å; W496-F533 HydrophobicContact CG-CZ 4.28Å
497V88.6Confident90.3Very high20 Ų2018.6 Ų18.612%0.12110%0.096CC..Hα-helixtrans-64.1-41.4-179.9173.60000111.5S336 F340 G493 R499 Y500 Y501S336-V497 VanDerWaalsContact OG-CG1 3.25Å; S336-V497 WeakPolarHBondContact OG-CG1 3.46Å; F340-V497 HydrophobicContact CE2-CB 4.29Å; F340-V497 HydrophobicContact CE2-CG2 3.45Å; F340-V497 VanDerWaalsContact CE2-CG2 3.45Å; F340-V497 HydrophobicContact CZ-CG2 3.7Å; G493-V497 WeakPolarHBondContact O-CG2 3.38Å; G493-V497 PolarHBondContact O-N 3.33Å; V497-R499 VanDerWaalsContact C-N 3.35Å; V497-R499 PolarHBondContact O-N 3.11Å; V497-Y500 PolarHBondContact O-N 2.97Å; V497-Y500 VanDerWaalsContact O-N 3.14Å; V497-Y501 HydrophobicContact CG1-CD2 3.88Å; V497-Y501 HydrophobicContact CG1-CE2 3.75Å; V497-Y501 VanDerWaalsContact O-CD2 3.31Å; V497-Y501 WeakPolarHBondContact O-CD2 3.44Å; V497-Y501 PolarHBondContact O-N 2.96Å
498L88.3Confident90.7Very high1 Ų120.6 Ų20.61%0.00510%0.104CC..Hα-helixtrans-64.2-40.6178.5-166.770.7000111.5T332 I333 T371 G374 L376 L494 W496 Y502T332-L498 WeakPolarHBondContact OG1-CD1 3.22Å; I333-L498 HydrophobicContact CG1-CD1 4.17Å; I333-L498 HydrophobicContact CG1-CD2 4.41Å; T371-L498 HydrophobicContact CG2-CD2 3.64Å; G374-L498 VanDerWaalsContact O-CD2 3.28Å; G374-L498 WeakPolarHBondContact O-CD2 3.31Å; G374-L498 WeakPolarHBondContact O-CG 3.47Å; L376-L498 HydrophobicContact CD2-CD2 3.91Å; L376-L498 HydrophobicContact CG-CD2 3.75Å; L494-L498 WeakPolarHBondContact O-CB 3.39Å; L494-L498 PolarHBondContact O-N 3.1Å; L494-L498 VanDerWaalsContact O-N 3.11Å; W496-L498 PolarHBondContact O-N 3.28Å; L498-Y502 HydrophobicContact CD1-CD2 3.72Å; L498-Y502 HydrophobicContact CD1-CE2 3.58Å; L498-Y502 HydrophobicContact CG-CD2 4.1Å; L498-Y502 HydrophobicContact CG-CE2 4.43Å; L498-Y502 WeakPolarHBondContact O-CD2 3.33Å; L498-Y502 PolarHBondContact O-N 3.04Å
499R90Very high91Very high45 Ų4520.8 Ų20.817%0.1711%0.108CC..Hα-helixtrans-63.9-41.6171.3-69.1-178.4-165.5-173.712.8111.5C495 W496 V497 Y501 Y502 Q503 G504 A506 I531C495-R499 WeakPolarHBondContact O-CG 3.35Å; C495-R499 PolarHBondContact O-N 3.06Å; W496-R499 PolarHBondContact O-N 3.38Å; V497-R499 VanDerWaalsContact C-N 3.35Å; V497-R499 PolarHBondContact O-N 3.11Å; R499-Y501 VanDerWaalsContact C-N 3.28Å; R499-Y501 PolarHBondContact O-N 2.87Å; R499-Y502 PolarHBondContact O-N 3.22Å; R499-Q503 WeakPolarHBondContact O-CA 3.36Å; R499-Q503 PolarHBondContact O-N 2.88Å; R499-G504 CarbonylContact C-O 3.54Å; R499-G504 PolarHBondContact O-N 2.79Å; R499-G504 VanDerWaalsContact O-O 3.11Å; R499-A506 HydrophobicContact CB-CB 3.73Å; R499-A506 HydrophobicContact CG-CB 4.35Å; R499-I531 PolarHBondContact NH2-O 2.88Å; R499-I531 VanDerWaalsContact NH2-O 3.13Å
500Y91Very high91.1Very high13 Ų1319.5 Ų19.55%0.05110%0.102CC..Hα-helixtrans-59.8-36.7-179.3-168.7-152.7000113.3P106 H206 W496 V497 G504 C505P106-Y500 HydrophobicContact CG-CE1 4.3Å; P106-Y500 HydrophobicContact CG-CE2 4.39Å; H206-Y500 HydrophobicContact CB-CE1 4.49Å; H206-Y500 HydrophobicContact CB-CE2 3.87Å; H206-Y500 WeakPolarHBondContact CB-OH 3.27Å; H206-Y500 AromaticContact CD2-CE1 3.43Å; H206-Y500 VanDerWaalsContact CD2-CE1 3.43Å; H206-Y500 WeakPolarHBondContact CD2-CE1 3.28Å; H206-Y500 AromaticContact CD2-CZ 3.52Å; H206-Y500 AromaticContact CE1-CD1 3.4Å; H206-Y500 VanDerWaalsContact CE1-CD1 3.4Å; H206-Y500 WeakPolarHBondContact CE1-CD1 3.4Å; H206-Y500 AromaticContact CE1-CD2 3.88Å; H206-Y500 AromaticContact CE1-CE1 3.54Å; H206-Y500 AromaticContact CE1-CG 3.59Å; H206-Y500 AromaticContact CE1-CZ 3.84Å; H206-Y500 AromaticContact CG-CE1 3.66Å; H206-Y500 AromaticContact CG-CE2 3.59Å; H206-Y500 AromaticContact CG-CZ 3.28Å; H206-Y500 AromaticContact ND1-CD1 3.86Å; H206-Y500 AromaticContact ND1-CD2 3.58Å; H206-Y500 AromaticContact ND1-CE1 3.72Å; H206-Y500 AromaticContact ND1-CE2 3.43Å; H206-Y500 WeakPolarHBondContact ND1-CE2 3.46Å; H206-Y500 AromaticContact ND1-CG 3.8Å; H206-Y500 AromaticContact ND1-CZ 3.51Å; H206-Y500 PolarHBondContact ND1-O 3.36Å; H206-Y500 AromaticContact NE2-CD1 3.55Å; H206-Y500 AromaticContact NE2-CE1 3.36Å; H206-Y500 WeakPolarHBondContact NE2-CE1 3.42Å; H206-Y500 AromaticContact NE2-CZ 3.87Å; W496-Y500 AromaticContact CH2-CD1 3.4Å; W496-Y500 HydrophobicContact CH2-CD1 3.4Å; W496-Y500 VanDerWaalsContact CH2-CD1 3.4Å; W496-Y500 AromaticContact CH2-CE1 3.78Å; W496-Y500 HydrophobicContact CH2-CE1 3.78Å; W496-Y500 AromaticContact CH2-CG 3.93Å; W496-Y500 HydrophobicContact CH2-CG 3.93Å; W496-Y500 HydrophobicContact CZ2-CD1 4.31Å; W496-Y500 HydrophobicContact CZ2-CG 4.44Å; W496-Y500 AromaticContact CZ3-CD1 3.59Å; W496-Y500 HydrophobicContact CZ3-CD1 3.59Å; W496-Y500 HydrophobicContact CZ3-CE1 4.29Å; W496-Y500 HydrophobicContact CZ3-CG 4.18Å; W496-Y500 WeakPolarHBondContact O-CB 3.48Å; W496-Y500 PolarHBondContact O-N 2.94Å; V497-Y500 PolarHBondContact O-N 2.97Å; V497-Y500 VanDerWaalsContact O-N 3.14Å; Y500-G504 VanDerWaalsContact CA-O 3.31Å; Y500-G504 WeakPolarHBondContact CA-O 3.38Å; Y500-G504 PolarHBondContact N-O 2.78Å; Y500-C505 HydrophobicContact CD2-CB 3.98Å; Y500-C505 HydrophobicContact CE2-CB 3.96Å
501Y90.1Very high91.4Very high14 Ų1422.2 Ų22.26%0.05511%0.113CC..Hα-helixtrans-74.3-42.1176.9-82.1-132.2000112.5H206 D235 M238 L239 T332 V497 R499H206-Y501 AromaticContact CE1-CD2 3.65Å; H206-Y501 AromaticContact CE1-CE2 3.83Å; H206-Y501 AromaticContact NE2-CE2 3.8Å; D235-Y501 PolarHBondContact OD2-OH 3.1Å; M238-Y501 HydrophobicContact CB-CE1 3.92Å; L239-Y501 HydrophobicContact CD2-CD1 3.45Å; L239-Y501 VanDerWaalsContact CD2-CD1 3.45Å; L239-Y501 HydrophobicContact CD2-CD2 3.91Å; L239-Y501 HydrophobicContact CD2-CE1 3.55Å; L239-Y501 HydrophobicContact CD2-CE2 3.97Å; L239-Y501 HydrophobicContact CD2-CG 3.64Å; L239-Y501 HydrophobicContact CG-CD1 4.1Å; L239-Y501 HydrophobicContact CG-CE1 3.77Å; T332-Y501 HydrophobicContact CG2-CD1 4.18Å; V497-Y501 HydrophobicContact CG1-CD2 3.88Å; V497-Y501 HydrophobicContact CG1-CE2 3.75Å; V497-Y501 VanDerWaalsContact O-CD2 3.31Å; V497-Y501 WeakPolarHBondContact O-CD2 3.44Å; V497-Y501 PolarHBondContact O-N 2.96Å; R499-Y501 VanDerWaalsContact C-N 3.28Å; R499-Y501 PolarHBondContact O-N 2.87Å
502Y91.2Very high91.5Very high7 Ų723.4 Ų23.43%0.02712%0.118CC..Hα-helixtrans-99.6-29.3-169.1-78.3-80.2000116.1R213 A242 H244 A329 T332 L498 R499 S670R213-Y502 WeakPolarHBondContact CD-O 3.46Å; A242-Y502 HydrophobicContact CB-CD1 4.42Å; A242-Y502 HydrophobicContact CB-CE1 3.79Å; A242-Y502 HydrophobicContact CB-CE2 4.17Å; H244-Y502 AromaticContact NE2-CE1 3.44Å; H244-Y502 WeakPolarHBondContact NE2-CE1 3.4Å; A329-Y502 VanDerWaalsContact CA-OH 3.3Å; A329-Y502 WeakPolarHBondContact CA-OH 3.43Å; A329-Y502 HydrophobicContact CB-CE2 4.23Å; A329-Y502 WeakPolarHBondContact CB-OH 3.13Å; T332-Y502 HydrophobicContact CG2-CE2 3.98Å; L498-Y502 HydrophobicContact CD1-CD2 3.72Å; L498-Y502 HydrophobicContact CD1-CE2 3.58Å; L498-Y502 HydrophobicContact CG-CD2 4.1Å; L498-Y502 HydrophobicContact CG-CE2 4.43Å; L498-Y502 WeakPolarHBondContact O-CD2 3.33Å; L498-Y502 PolarHBondContact O-N 3.04Å; R499-Y502 PolarHBondContact O-N 3.22Å; Y502-S670 WeakPolarHBondContact CD1-OG 3.27Å
503Q92.1Very high91.6Very high30 Ų3024 Ų2414%0.1412%0.124CC..THydrogen-bonded Turntrans-127.3-15.4-172.2-58.6-60.1-29.400113H373 Y375 R499 F668H373-Q503 PolarHBondContact O-NE2 3.44Å; Y375-Q503 HydrophobicContact CE2-CG 4.3Å; R499-Q503 WeakPolarHBondContact O-CA 3.36Å; R499-Q503 PolarHBondContact O-N 2.88Å; Q503-F668 PolarHBondContact NE2-O 3.12Å; Q503-F668 VanDerWaalsContact NE2-O 3.11Å
504G91.6Very high91.6Very high14 Ų1425.8 Ų25.814%0.14413%0.132CC..  trans106.3178.3-175.700000112.8R499 Y500 A506R499-G504 CarbonylContact C-O 3.54Å; R499-G504 PolarHBondContact O-N 2.79Å; R499-G504 VanDerWaalsContact O-O 3.11Å; Y500-G504 VanDerWaalsContact CA-O 3.31Å; Y500-G504 WeakPolarHBondContact CA-O 3.38Å; Y500-G504 PolarHBondContact N-O 2.78Å; G504-A506 PolarHBondContact O-N 3.18Å
505C92.8Very high91.6Very high33 Ų3328.3 Ų28.322%0.22314%0.144CC..  trans-61.7109.3-172.4-173.70000111.1Y500 S507 W508Y500-C505 HydrophobicContact CD2-CB 3.98Å; Y500-C505 HydrophobicContact CE2-CB 3.96Å; C505-S507 VanDerWaalsContact C-N 3.32Å; C505-S507 VanDerWaalsContact SG-C 3.54Å; C505-S507 PolarHBondContact SG-O 2.82Å; C505-S507 VanDerWaalsContact SG-O 3.4Å; C505-W508 HydrophobicContact CB-CZ2 4.13Å
506A92.5Very high91.4Very high23 Ų2328.8 Ų28.819%0.1914%0.144CC..SBendtrans-77.6-18.1-177.300000113.8R499 G504 F533R499-A506 HydrophobicContact CB-CB 3.73Å; R499-A506 HydrophobicContact CG-CB 4.35Å; G504-A506 PolarHBondContact O-N 3.18Å; A506-F533 HydrophobicContact CB-CD2 3.71Å; A506-F533 HydrophobicContact CB-CE2 4.21Å; A506-F533 HydrophobicContact CB-CG 4.34Å; A506-F533 VanDerWaalsContact O-CB 3.22Å; A506-F533 WeakPolarHBondContact O-CB 3.34Å
507S94.5Very high90.9Very high3 Ų328.5 Ų28.52%0.02114%0.144CC..  trans-164.1126.4170.4-177.10000109.8W496 C505 N509 W510 T537W496-S507 PolarHBondContact NE1-O 3.12Å; C505-S507 VanDerWaalsContact C-N 3.32Å; C505-S507 VanDerWaalsContact SG-C 3.54Å; C505-S507 PolarHBondContact SG-O 2.82Å; C505-S507 VanDerWaalsContact SG-O 3.4Å; S507-N509 VanDerWaalsContact C-N 3.32Å; S507-N509 PolarHBondContact OG-N 3.21Å; S507-W510 PolarHBondContact OG-N 3.34Å; S507-T537 WeakPolarHBondContact CA-OG1 3.47Å; S507-T537 WeakPolarHBondContact OG-CG2 3.48Å
508W95.3Very high90.6Very high45 Ų4527.6 Ų27.617%0.1714%0.138CC..SBendtrans-74.3-25.6174.5-68.991.1000112.6V104 P106 R107 P201 C505 T537 K538 P539V104-W508 WeakPolarHBondContact O-CZ3 3.4Å; P106-W508 HydrophobicContact CB-CE3 4.21Å; P106-W508 HydrophobicContact CG-CE3 3.91Å; P106-W508 HydrophobicContact CG-CZ3 3.89Å; R107-W508 WeakPolarHBondContact CB-O 3.37Å; R107-W508 PolarHBondContact N-O 2.81Å; P201-W508 HydrophobicContact CB-CH2 3.99Å; P201-W508 HydrophobicContact CB-CZ3 4.4Å; C505-W508 HydrophobicContact CB-CZ2 4.13Å; W508-T537 VanDerWaalsContact CD1-O 3.28Å; W508-T537 PolarHBondContact N-OG1 2.9Å; W508-K538 WeakPolarHBondContact CB-O 3.39Å; W508-P539 HydrophobicContact CD2-CB 4.36Å; W508-P539 HydrophobicContact CD2-CG 3.86Å; W508-P539 HydrophobicContact CE3-CB 4.12Å; W508-P539 HydrophobicContact CE3-CG 4Å; W508-P539 HydrophobicContact CG-CG 4.49Å; W508-P539 HydrophobicContact CH2-CG 4.04Å; W508-P539 HydrophobicContact CZ2-CG 3.91Å; W508-P539 HydrophobicContact CZ3-CB 4.3Å; W508-P539 HydrophobicContact CZ3-CG 4.09Å
509N94.5Very high90.1Very high85 Ų8527.8 Ų27.846%0.45514%0.139SC..SBendtrans-90.5-24.6-176.3-65.4-16.7000113.5R107 S507 T537R107-N509 WeakPolarHBondContact CB-O 3.35Å; S507-N509 VanDerWaalsContact C-N 3.32Å; S507-N509 PolarHBondContact OG-N 3.21Å; N509-T537 HydrophobicContact CB-CG2 4.06Å; N509-T537 WeakPolarHBondContact ND2-CG2 3.13Å
510W94.4Very high89.4Confident20 Ų2025.9 Ų25.98%0.07613%0.133CC..  trans-63.5140.3-175.8-178.586.9000112.6A108 F340 E492 W496 S507 F533A108-W510 HydrophobicContact CB-CE3 4.02Å; A108-W510 HydrophobicContact CB-CZ3 3.9Å; A108-W510 PolarHBondContact N-O 2.92Å; A108-W510 VanDerWaalsContact N-O 3.14Å; F340-W510 HydrophobicContact CE1-CH2 4.3Å; F340-W510 HydrophobicContact CZ-CH2 4.18Å; F340-W510 HydrophobicContact CZ-CZ3 4.46Å; E492-W510 VanDerWaalsContact CD-CD1 3.5Å; E492-W510 PolarHBondContact OE1-NE1 2.93Å; E492-W510 PolarHBondContact OE2-NE1 3.26Å; W496-W510 HydrophobicContact CB-CD2 4.18Å; W496-W510 HydrophobicContact CB-CE3 3.78Å; W496-W510 HydrophobicContact CB-CZ3 4.03Å; W496-W510 AromaticContact CD1-CD2 3.96Å; W496-W510 AromaticContact CD1-CE3 3.67Å; W496-W510 AromaticContact CD2-CE3 3.66Å; W496-W510 HydrophobicContact CD2-CE3 3.66Å; W496-W510 HydrophobicContact CD2-CZ3 4.03Å; W496-W510 HydrophobicContact CE3-CE3 4.21Å; W496-W510 HydrophobicContact CE3-CZ3 4.14Å; W496-W510 HydrophobicContact CG-CD2 4Å; W496-W510 AromaticContact CG-CE3 3.41Å; W496-W510 HydrophobicContact CG-CE3 3.41Å; W496-W510 VanDerWaalsContact CG-CE3 3.41Å; W496-W510 AromaticContact CG-CZ3 3.98Å; W496-W510 HydrophobicContact CG-CZ3 3.98Å; S507-W510 PolarHBondContact OG-N 3.34Å; W510-F533 HydrophobicContact CB-CD1 4.39Å; W510-F533 HydrophobicContact CB-CE1 4.39Å; W510-F533 AromaticContact CD1-CE1 3.71Å; W510-F533 HydrophobicContact CD2-CE1 4.38Å; W510-F533 HydrophobicContact CG-CD1 4.31Å; W510-F533 AromaticContact CG-CE1 3.87Å; W510-F533 HydrophobicContact CG-CE1 3.87Å
511F93.4Very high88.7Confident57 Ų5728.1 Ų28.125%0.2515%0.15CC..  trans-151.9159.8168.270.6-77.1000111.2R107 N111 P513 F600R107-F511 HydrophobicContact CG-CB 4.06Å; R107-F511 HydrophobicContact CG-CD1 3.83Å; R107-F511 HydrophobicContact CG-CG 4.18Å; N111-F511 WeakPolarHBondContact ND2-CD2 3.29Å; F511-P513 HydrophobicContact CD2-CB 4.37Å; F511-P513 HydrophobicContact CE2-CB 3.81Å; F511-P513 HydrophobicContact CZ-CB 4.3Å; F511-P513 WeakPolarHBondContact O-CD 3.12Å; F511-F600 HydrophobicContact CD2-CD1 4.27Å; F511-F600 HydrophobicContact CD2-CE1 4.44Å; F511-F600 HydrophobicContact CE2-CB 4.29Å; F511-F600 AromaticContact CE2-CD1 3.92Å; F511-F600 HydrophobicContact CE2-CD1 3.92Å; F511-F600 HydrophobicContact CE2-CE1 4.39Å; F511-F600 HydrophobicContact CE2-CG 4.03Å
512Y91.9Very high88.4Confident26 Ų2628 Ų2810%0.10215%0.15CC..  trans-81.4115.3172.2-178.9-108.5000110.3V486 H489 Y490 F514 Y516V486-Y512 VanDerWaalsContact CG1-OH 3.31Å; V486-Y512 WeakPolarHBondContact CG1-OH 3.29Å; H489-Y512 HydrophobicContact CB-CD2 4Å; H489-Y512 HydrophobicContact CB-CE2 4.15Å; Y490-Y512 AromaticContact CD2-CE2 3.99Å; Y490-Y512 HydrophobicContact CD2-CE2 3.99Å; Y490-Y512 AromaticContact CD2-CZ 3.99Å; Y490-Y512 HydrophobicContact CG-CE2 4.42Å; Y512-F514 VanDerWaalsContact C-N 3.26Å; Y512-F514 HydrophobicContact CD1-CB 4.38Å; Y512-F514 WeakPolarHBondContact CD1-O 3.49Å; Y512-F514 HydrophobicContact CD2-CD2 4.38Å; Y512-F514 HydrophobicContact CE1-CB 3.72Å; Y512-F514 HydrophobicContact CE1-CD2 4.24Å; Y512-F514 WeakPolarHBondContact CE1-O 3Å; Y512-F514 AromaticContact CE2-CD2 3.82Å; Y512-F514 HydrophobicContact CE2-CD2 3.82Å; Y512-F514 AromaticContact CZ-CD2 3.74Å; Y512-F514 PolarHBondContact O-N 3.05Å; Y512-F514 VanDerWaalsContact O-N 3.14Å; Y512-Y516 VanDerWaalsContact CE1-O 3.32Å; Y512-Y516 WeakPolarHBondContact CE1-O 3.43Å; Y512-Y516 PolarHBondContact OH-O 3.16Å
513P92.2Very high87.9Confident41 Ų4127.7 Ų27.727%0.26615%0.149SC..  trans-87.526.3-166.335.5-35.8000114.6F511 F600F511-P513 HydrophobicContact CD2-CB 4.37Å; F511-P513 HydrophobicContact CE2-CB 3.81Å; F511-P513 HydrophobicContact CZ-CB 4.3Å; F511-P513 WeakPolarHBondContact O-CD 3.12Å; P513-F600 WeakPolarHBondContact O-CE2 3.23Å
514F90.6Very high87.4Confident36 Ų3630.8 Ų30.816%0.15817%0.17CC..  trans-136.8145.7179.3-47.7-82.2000111.1F482 V486 H489 Y512 Y516F482-F514 HydrophobicContact CE2-CE1 4.02Å; F482-F514 HydrophobicContact CZ-CD1 4.26Å; F482-F514 AromaticContact CZ-CE1 3.86Å; F482-F514 HydrophobicContact CZ-CE1 3.86Å; V486-F514 HydrophobicContact CB-CD2 4.46Å; V486-F514 HydrophobicContact CB-CE2 4.22Å; V486-F514 HydrophobicContact CB-CZ 4.45Å; V486-F514 HydrophobicContact CG1-CD2 4.21Å; V486-F514 HydrophobicContact CG1-CE2 4.46Å; V486-F514 HydrophobicContact CG2-CD1 4.07Å; V486-F514 HydrophobicContact CG2-CD2 4.17Å; V486-F514 HydrophobicContact CG2-CE1 3.77Å; V486-F514 HydrophobicContact CG2-CE2 3.88Å; V486-F514 HydrophobicContact CG2-CG 4.26Å; V486-F514 HydrophobicContact CG2-CZ 3.67Å; H489-F514 HydrophobicContact CB-CE2 4.19Å; H489-F514 AromaticContact CD2-CE2 3.82Å; Y512-F514 VanDerWaalsContact C-N 3.26Å; Y512-F514 HydrophobicContact CD1-CB 4.38Å; Y512-F514 WeakPolarHBondContact CD1-O 3.49Å; Y512-F514 HydrophobicContact CD2-CD2 4.38Å; Y512-F514 HydrophobicContact CE1-CB 3.72Å; Y512-F514 HydrophobicContact CE1-CD2 4.24Å; Y512-F514 WeakPolarHBondContact CE1-O 3Å; Y512-F514 AromaticContact CE2-CD2 3.82Å; Y512-F514 HydrophobicContact CE2-CD2 3.82Å; Y512-F514 AromaticContact CZ-CD2 3.74Å; Y512-F514 PolarHBondContact O-N 3.05Å; Y512-F514 VanDerWaalsContact O-N 3.14Å; F514-Y516 VanDerWaalsContact C-N 3.25Å; F514-Y516 PolarHBondContact O-N 3.27Å
515H87Confident87.1Confident64 Ų6435.8 Ų35.830%0.29619%0.194SC..SBendtrans-75.8-11177.2-55.888.6000114.3V595 L597 L598 F600H515-V595 HydrophobicContact CB-CG1 3.94Å; H515-L597 HydrophobicContact CB-CD2 4.06Å; H515-L598 PolarHBondContact CE1-O 3Å; H515-L598 PolarHBondContact NE2-O 2.75Å; H515-F600 AromaticContact CE1-CE2 3.57Å; H515-F600 AromaticContact CE1-CZ 3.97Å; H515-F600 AromaticContact ND1-CE2 3.96Å; H515-F600 AromaticContact NE2-CE2 3.91Å; H515-F600 AromaticContact NE2-CZ 3.9Å
516Y85.2Confident86.8Confident19 Ų1934.4 Ų34.48%0.07518%0.184CC..SBendtrans-136.5158.6-172.9-51.2-86.9000111.9Y468 K472 M473 Y512 F514 D584 V595 L597Y468-Y516 WeakPolarHBondContact OH-CB 3.39Å; K472-Y516 HydrophobicContact CB-CD1 4.38Å; K472-Y516 HydrophobicContact CB-CD2 3.8Å; K472-Y516 HydrophobicContact CB-CE1 4.47Å; K472-Y516 HydrophobicContact CB-CE2 3.92Å; K472-Y516 HydrophobicContact CB-CG 4.03Å; K472-Y516 HydrophobicContact CD-CD1 4.22Å; K472-Y516 HydrophobicContact CD-CE1 3.7Å; K472-Y516 HydrophobicContact CD-CE2 4.25Å; K472-Y516 HydrophobicContact CG-CD1 4.33Å; K472-Y516 HydrophobicContact CG-CE1 4.29Å; K472-Y516 HydrophobicContact CG-CG 4.46Å; K472-Y516 WeakPolarHBondContact O-CD2 3.39Å; K472-Y516 WeakPolarHBondContact O-CE2 3.3Å; M473-Y516 WeakPolarHBondContact CE-O 3.47Å; M473-Y516 HydrophobicContact CG-CD2 4.5Å; Y512-Y516 VanDerWaalsContact CE1-O 3.32Å; Y512-Y516 WeakPolarHBondContact CE1-O 3.43Å; Y512-Y516 PolarHBondContact OH-O 3.16Å; F514-Y516 VanDerWaalsContact C-N 3.25Å; F514-Y516 PolarHBondContact O-N 3.27Å; Y516-D584 WeakPolarHBondContact CE1-OD2 3.33Å; Y516-D584 PolarHBondContact OH-OD2 2.61Å; Y516-V595 HydrophobicContact CE1-CG2 4.41Å; Y516-L597 HydrophobicContact CE2-CD2 4.11Å; Y516-L597 WeakPolarHBondContact OH-CD2 3.19Å
517S82.1Confident86.5Confident3 Ų334.5 Ų34.52%0.02119%0.187CC..PPolyproline II helixtrans-91.4154.9-17850.30000112.8R341 F342 V343 Y468R341-S517 PolarHBondContact O-OG 2.74Å; F342-S517 WeakPolarHBondContact CA-OG 3.42Å; V343-S517 WeakPolarHBondContact CG2-OG 3.45Å; V343-S517 PolarHBondContact N-OG 3.29Å; Y468-S517 PolarHBondContact OH-O 2.81Å
518P82.4Confident86.1Confident0 Ų041 Ų410%022%0.221CC..PPolyproline II helixtrans-76.6171.7168.732.7-32000111V486 A487 Y490 D522 F523V486-P518 HydrophobicContact CB-CB 4.46Å; V486-P518 HydrophobicContact CG1-CB 3.81Å; V486-P518 HydrophobicContact CG1-CG 4.01Å; A487-P518 HydrophobicContact CB-CG 4.46Å; Y490-P518 VanDerWaalsContact CD2-CD 3.45Å; Y490-P518 HydrophobicContact CD2-CG 4.21Å; Y490-P518 HydrophobicContact CG-CG 4.12Å; P518-D522 HydrophobicContact CB-CB 4.42Å; P518-F523 HydrophobicContact CB-CE2 4.25Å; P518-F523 HydrophobicContact CG-CE2 3.63Å; P518-F523 HydrophobicContact CG-CZ 3.55Å
519F77.6Confident85.8Confident6 Ų640.5 Ų40.53%0.02622%0.221CC..PPolyproline II helixtrans-87.6151.9170.7-57.3-73.8000111.1V343 F344 W464 K465 Y468 F469 S521 D522 F523V343-F519 HydrophobicContact CB-CD1 4.18Å; V343-F519 HydrophobicContact CB-CE1 4.01Å; V343-F519 HydrophobicContact CG1-CE1 4.03Å; V343-F519 HydrophobicContact CG2-CD1 4.34Å; V343-F519 HydrophobicContact CG2-CE1 4.06Å; F344-F519 AromaticContact CE2-CD1 3.89Å; F344-F519 HydrophobicContact CE2-CD1 3.89Å; F344-F519 AromaticContact CE2-CE1 3.8Å; F344-F519 HydrophobicContact CE2-CE1 3.8Å; F344-F519 HydrophobicContact CZ-CE1 4.35Å; W464-F519 HydrophobicContact CE3-CE1 4.34Å; W464-F519 HydrophobicContact CE3-CE2 4.09Å; W464-F519 AromaticContact CE3-CZ 3.94Å; W464-F519 HydrophobicContact CE3-CZ 3.94Å; W464-F519 HydrophobicContact CH2-CD1 4.43Å; W464-F519 HydrophobicContact CH2-CD2 4.35Å; W464-F519 HydrophobicContact CH2-CG 4.23Å; W464-F519 AromaticContact CZ3-CD1 3.79Å; W464-F519 HydrophobicContact CZ3-CD1 3.79Å; W464-F519 AromaticContact CZ3-CD2 3.69Å; W464-F519 HydrophobicContact CZ3-CD2 3.69Å; W464-F519 AromaticContact CZ3-CE1 3.69Å; W464-F519 HydrophobicContact CZ3-CE1 3.69Å; W464-F519 AromaticContact CZ3-CE2 3.59Å; W464-F519 HydrophobicContact CZ3-CE2 3.59Å; W464-F519 AromaticContact CZ3-CG 3.77Å; W464-F519 HydrophobicContact CZ3-CG 3.77Å; W464-F519 AromaticContact CZ3-CZ 3.57Å; W464-F519 HydrophobicContact CZ3-CZ 3.57Å; K465-F519 HydrophobicContact CG-CD2 4.1Å; K465-F519 HydrophobicContact CG-CE2 4.19Å; Y468-F519 HydrophobicContact CD1-CD2 4.39Å; Y468-F519 AromaticContact CD1-CE2 3.34Å; Y468-F519 HydrophobicContact CD1-CE2 3.34Å; Y468-F519 AromaticContact CD1-CZ 3.48Å; Y468-F519 HydrophobicContact CD1-CZ 3.48Å; Y468-F519 VanDerWaalsContact CD1-CZ 3.48Å; Y468-F519 HydrophobicContact CD2-CE2 4.41Å; Y468-F519 AromaticContact CD2-CZ 3.7Å; Y468-F519 HydrophobicContact CD2-CZ 3.7Å; Y468-F519 AromaticContact CE1-CE2 3.92Å; Y468-F519 HydrophobicContact CE1-CE2 3.92Å; Y468-F519 AromaticContact CE1-CZ 3.93Å; Y468-F519 HydrophobicContact CE1-CZ 3.93Å; Y468-F519 HydrophobicContact CE2-CZ 4.12Å; Y468-F519 HydrophobicContact CG-CE1 4.49Å; Y468-F519 AromaticContact CG-CE2 3.63Å; Y468-F519 HydrophobicContact CG-CE2 3.63Å; Y468-F519 AromaticContact CG-CZ 3.34Å; Y468-F519 HydrophobicContact CG-CZ 3.34Å; F469-F519 HydrophobicContact CE2-CD2 4.01Å; F469-F519 HydrophobicContact CE2-CE2 4.11Å; F519-S521 PolarHBondContact O-N 2.83Å; F519-S521 VanDerWaalsContact O-N 3.09Å; F519-D522 WeakPolarHBondContact CB-OD2 3.06Å; F519-D522 WeakPolarHBondContact CD2-OD2 3.5Å; F519-D522 PolarHBondContact N-OD2 2.78Å; F519-D522 VanDerWaalsContact O-CB 3.3Å; F519-D522 WeakPolarHBondContact O-CB 3.05Å; F519-D522 PolarHBondContact O-N 3.4Å; F519-F523 VanDerWaalsContact O-CD2 3.25Å; F519-F523 WeakPolarHBondContact O-CD2 2.85Å; F519-F523 WeakPolarHBondContact O-CE2 3.31Å
520A74.4Confident85.5Confident5 Ų545.3 Ų45.34%0.04124%0.238CC..G310 helixtrans-56.7-29.7178.600000113.9F342 L385 V390 D522 F523F342-A520 HydrophobicContact CE1-CB 3.78Å; F342-A520 HydrophobicContact CZ-CB 3.53Å; F342-A520 VanDerWaalsContact CZ-N 3.32Å; L385-A520 HydrophobicContact CD2-CB 4.16Å; V390-A520 HydrophobicContact CB-CB 4.3Å; V390-A520 HydrophobicContact CG1-CB 3.31Å; V390-A520 HydrophobicContact CG2-CB 4.03Å; A520-D522 PolarHBondContact O-N 2.85Å; A520-F523 PolarHBondContact O-N 3.42Å
521S77.5Confident85.3Confident60 Ų6045.3 Ų45.342%0.4224%0.24SC..G310 helixtrans-69.8-6173.455.40000115.3K465 F519K465-S521 WeakPolarHBondContact CE-OG 3.21Å; K465-S521 PolarHBondContact NZ-OG 2.83Å; F519-S521 PolarHBondContact O-N 2.83Å; F519-S521 VanDerWaalsContact O-N 3.09Å
522D82.5Confident85.1Confident10 Ų1048.3 Ų48.35%0.05326%0.262CS..G310 helixtrans-99.7-6.9179.9-48.2-28.7000111.2K465 A487 P518 F519 A520 V524K465-D522 WeakPolarHBondContact CE-OD1 3.23Å; K465-D522 IonicContact NZ-OD1 3.76Å; K465-D522 PolarHBondContact NZ-OD1 2.97Å; A487-D522 WeakPolarHBondContact CB-O 3.4Å; P518-D522 HydrophobicContact CB-CB 4.42Å; F519-D522 WeakPolarHBondContact CB-OD2 3.06Å; F519-D522 WeakPolarHBondContact CD2-OD2 3.5Å; F519-D522 PolarHBondContact N-OD2 2.78Å; F519-D522 VanDerWaalsContact O-CB 3.3Å; F519-D522 WeakPolarHBondContact O-CB 3.05Å; F519-D522 PolarHBondContact O-N 3.4Å; A520-D522 PolarHBondContact O-N 2.85Å; D522-V524 VanDerWaalsContact C-N 3.35Å; D522-V524 PolarHBondContact O-N 2.77Å; D522-V524 VanDerWaalsContact O-N 3.1Å
523F81.7Confident85.1Confident2 Ų247.5 Ų47.51%0.00926%0.259CS..  trans-83.779.4173.9-64.9-104.8000109.4F342 Q382 L385 A487 Y490 V491 P518 F519 A520 I526F342-F523 AromaticContact CE2-CE2 3.59Å; F342-F523 HydrophobicContact CE2-CE2 3.59Å; F342-F523 AromaticContact CE2-CZ 3.82Å; F342-F523 HydrophobicContact CE2-CZ 3.82Å; F342-F523 AromaticContact CZ-CE2 3.94Å; F342-F523 HydrophobicContact CZ-CE2 3.94Å; Q382-F523 PolarHBondContact NE2-O 2.92Å; L385-F523 HydrophobicContact CB-CB 4.41Å; L385-F523 HydrophobicContact CD1-CB 3.65Å; L385-F523 HydrophobicContact CD1-CD1 3.69Å; L385-F523 HydrophobicContact CD1-CD2 4.21Å; L385-F523 HydrophobicContact CD1-CE1 4.37Å; L385-F523 HydrophobicContact CD1-CG 3.59Å; A487-F523 HydrophobicContact CB-CD1 4.28Å; A487-F523 HydrophobicContact CB-CE1 4.47Å; A487-F523 HydrophobicContact CB-CG 4.33Å; Y490-F523 AromaticContact CD1-CE1 3.79Å; Y490-F523 HydrophobicContact CD1-CE1 3.79Å; Y490-F523 AromaticContact CD1-CZ 3.53Å; Y490-F523 HydrophobicContact CD1-CZ 3.53Å; Y490-F523 HydrophobicContact CE1-CZ 4.21Å; Y490-F523 HydrophobicContact CG-CE1 4.27Å; Y490-F523 AromaticContact CG-CZ 3.9Å; Y490-F523 HydrophobicContact CG-CZ 3.9Å; V491-F523 HydrophobicContact CG2-CD1 3.45Å; V491-F523 VanDerWaalsContact CG2-CD1 3.45Å; V491-F523 HydrophobicContact CG2-CE1 3.55Å; P518-F523 HydrophobicContact CB-CE2 4.25Å; P518-F523 HydrophobicContact CG-CE2 3.63Å; P518-F523 HydrophobicContact CG-CZ 3.55Å; F519-F523 VanDerWaalsContact O-CD2 3.25Å; F519-F523 WeakPolarHBondContact O-CD2 2.85Å; F519-F523 WeakPolarHBondContact O-CE2 3.31Å; A520-F523 PolarHBondContact O-N 3.42Å; F523-I526 HydrophobicContact CB-CG2 3.94Å; F523-I526 HydrophobicContact CD1-CD1 4.37Å; F523-I526 HydrophobicContact CD1-CG2 4.22Å
524V81.5Confident85.1Confident94 Ų9449 Ų4957%0.5727%0.269SS*.  trans-104.1134.7179.3-176.20000109.3D522 I526D522-V524 VanDerWaalsContact C-N 3.35Å; D522-V524 PolarHBondContact O-N 2.77Å; D522-V524 VanDerWaalsContact O-N 3.1Å; V524-I526 PolarHBondContact O-N 3.02Å
525N84.3Confident84.6Confident120 Ų12054.4 Ų54.464%0.64230%0.295SS*.SBendtrans5332.3179.1-55.6-13.1000115.1G527N525-G527 PolarHBondContact O-N 3.32Å
526I87.2Confident84.5Confident3 Ų357.5 Ų57.52%0.01531%0.313CS..G310 helixtrans-69.1-15176.870158.4000112.8L378 V381 Q382 L385 V491 F523 V524 D528 M529L378-I526 VanDerWaalsContact CB-O 3.28Å; L378-I526 WeakPolarHBondContact CB-O 3.43Å; L378-I526 WeakPolarHBondContact CD1-O 3.31Å; V381-I526 HydrophobicContact CB-CD1 4.18Å; V381-I526 HydrophobicContact CG1-CD1 3.8Å; Q382-I526 HydrophobicContact CB-CG1 3.97Å; Q382-I526 HydrophobicContact CG-CG1 4.49Å; L385-I526 HydrophobicContact CD1-CD1 3.86Å; V491-I526 HydrophobicContact CG1-CD1 4.47Å; V491-I526 HydrophobicContact CG2-CB 4.25Å; V491-I526 HydrophobicContact CG2-CD1 3.92Å; V491-I526 HydrophobicContact CG2-CG2 4.01Å; F523-I526 HydrophobicContact CB-CG2 3.94Å; F523-I526 HydrophobicContact CD1-CD1 4.37Å; F523-I526 HydrophobicContact CD1-CG2 4.22Å; V524-I526 PolarHBondContact O-N 3.02Å; I526-D528 PolarHBondContact O-N 2.93Å; I526-M529 HydrophobicContact CB-SD 3.75Å; I526-M529 HydrophobicContact CG2-SD 3.8Å; I526-M529 WeakPolarHBondContact O-CB 3.48Å; I526-M529 PolarHBondContact O-N 2.88Å
527G85.7Confident84.9Confident25 Ų2557.6 Ų57.626%0.25832%0.316SS..G310 helixtrans-61-31.8179.700000113.9N525N525-G527 PolarHBondContact O-N 3.32Å
528D86.7Confident85.5Confident139 Ų13965 Ų6574%0.74335%0.348SS*.G310 helixtrans-93.2-0.9-177.2-53.6-55.3000113I526 K530I526-D528 PolarHBondContact O-N 2.93Å; D528-K530 PolarHBondContact O-N 3.49Å
529M88.5Confident86.1Confident35 Ų3566.2 Ų66.217%0.17236%0.356CS..  trans-67.5124.4-179.4-74.6176.14400111.9L378 F488 V491 I526 I531L378-M529 HydrophobicContact CD1-CB 3.83Å; L378-M529 VanDerWaalsContact CD1-O 3.29Å; L378-M529 WeakPolarHBondContact CD1-O 3.35Å; F488-M529 HydrophobicContact CB-CE 4.33Å; F488-M529 HydrophobicContact CD2-CE 3.32Å; F488-M529 HydrophobicContact CD2-CG 4.17Å; F488-M529 HydrophobicContact CD2-SD 3.79Å; F488-M529 HydrophobicContact CE2-CE 3.66Å; F488-M529 HydrophobicContact CE2-CG 4.32Å; F488-M529 HydrophobicContact CE2-SD 4.41Å; F488-M529 HydrophobicContact CG-CE 3.88Å; F488-M529 HydrophobicContact CZ-CE 4.45Å; V491-M529 HydrophobicContact CB-CE 3.78Å; V491-M529 HydrophobicContact CG1-CE 4.05Å; V491-M529 HydrophobicContact CG2-CE 4.37Å; I526-M529 HydrophobicContact CB-SD 3.75Å; I526-M529 HydrophobicContact CG2-SD 3.8Å; I526-M529 WeakPolarHBondContact O-CB 3.48Å; I526-M529 PolarHBondContact O-N 2.88Å; M529-I531 HydrophobicContact CE-CD1 4.02Å; M529-I531 HydrophobicContact CE-CG1 4.21Å
530K88.3Confident86.9Confident187 Ų18766.8 Ų66.881%0.81336%0.36SS*.  trans-92.8107.2171.1-64.5-178.2-178.1178.10109.6D528D528-K530 PolarHBondContact O-N 3.49Å
531I90.2Very high88Confident20 Ų2068.3 Ų68.310%0.10337%0.369CS..  trans-98.4106.6178-65.5166.5000109.9L378 V491 E492 C495 R499 M529 F533L378-I531 HydrophobicContact CD1-CD1 3.89Å; L378-I531 HydrophobicContact CD1-CG1 4.49Å; V491-I531 HydrophobicContact CB-CD1 4.4Å; V491-I531 HydrophobicContact CG1-CD1 3.77Å; E492-I531 HydrophobicContact CG-CG2 4.15Å; C495-I531 HydrophobicContact CB-CD1 4.07Å; C495-I531 HydrophobicContact CB-CG2 3.95Å; C495-I531 VanDerWaalsContact SG-CD1 3.51Å; R499-I531 PolarHBondContact NH2-O 2.88Å; R499-I531 VanDerWaalsContact NH2-O 3.13Å; M529-I531 HydrophobicContact CE-CD1 4.02Å; M529-I531 HydrophobicContact CE-CG1 4.21Å; I531-F533 HydrophobicContact CG2-CE1 4.38Å; I531-F533 HydrophobicContact CG2-CE2 3.86Å; I531-F533 HydrophobicContact CG2-CZ 3.75Å
532V90.4Very high88.9Confident119 Ų11965.7 Ų65.772%0.72135%0.351SS*.  trans-119.3129.4176.4-176.50000107.9
533F91.9Very high89.6Confident9 Ų965.2 Ų65.24%0.03935%0.348CS..  trans-102.4141.9171.8-65.1-64.3000108.8E492 C495 W496 A506 W510 I531 E535E492-F533 HydrophobicContact CG-CE1 3.7Å; E492-F533 HydrophobicContact CG-CZ 3.97Å; C495-F533 HydrophobicContact CB-CE2 4.38Å; C495-F533 HydrophobicContact CB-CZ 4.44Å; W496-F533 HydrophobicContact CB-CE1 4.19Å; W496-F533 HydrophobicContact CB-CE2 4.18Å; W496-F533 HydrophobicContact CB-CZ 3.61Å; W496-F533 HydrophobicContact CG-CZ 4.28Å; A506-F533 HydrophobicContact CB-CD2 3.71Å; A506-F533 HydrophobicContact CB-CE2 4.21Å; A506-F533 HydrophobicContact CB-CG 4.34Å; A506-F533 VanDerWaalsContact O-CB 3.22Å; A506-F533 WeakPolarHBondContact O-CB 3.34Å; W510-F533 HydrophobicContact CB-CD1 4.39Å; W510-F533 HydrophobicContact CB-CE1 4.39Å; W510-F533 AromaticContact CD1-CE1 3.71Å; W510-F533 HydrophobicContact CD2-CE1 4.38Å; W510-F533 HydrophobicContact CG-CD1 4.31Å; W510-F533 AromaticContact CG-CE1 3.87Å; W510-F533 HydrophobicContact CG-CE1 3.87Å; I531-F533 HydrophobicContact CG2-CE1 4.38Å; I531-F533 HydrophobicContact CG2-CE2 3.86Å; I531-F533 HydrophobicContact CG2-CZ 3.75Å; F533-E535 PolarHBondContact O-N 2.73Å
534P90.8Very high90.3Very high74 Ų7465.8 Ų65.848%0.48135%0.351SS..  trans-62131.7173.7-19.231.4000110.8D536 T537P534-D536 WeakPolarHBondContact CB-OD1 3.44Å; P534-T537 HydrophobicContact CB-CG2 4.03Å
535E80.3Confident91.1Very high149 Ų14961.3 Ų61.370%0.69632%0.324SS*.THydrogen-bonded Turntrans-83.6-13.7-171.9-59.3-177.2123.300113.5F533 K664F533-E535 PolarHBondContact O-N 2.73Å; E535-K664 VanDerWaalsContact OE1-CE 3.31Å; E535-K664 WeakPolarHBondContact OE1-CE 3.31Å; E535-K664 IonicContact OE1-NZ 2.73Å; E535-K664 WeakPolarHBondContact OE2-CE 3.49Å; E535-K664 IonicContact OE2-NZ 3.88Å; E535-K664 PolarHBondContact OE2-NZ 3.13Å
536D85Confident91.7Very high128 Ų12855.6 Ų55.668%0.68429%0.293SS*.THydrogen-bonded Turntrans-96.62.1-173.764.9-40.9000113.7P534 K538P534-D536 WeakPolarHBondContact CB-OD1 3.44Å; D536-K538 PolarHBondContact O-N 3.14Å
537T93.6Very high92.2Very high21 Ų2155.4 Ų55.413%0.12929%0.292CS..  trans-63.9136.9177.867.20000111.5S507 W508 N509 P534S507-T537 WeakPolarHBondContact CA-OG1 3.47Å; S507-T537 WeakPolarHBondContact OG-CG2 3.48Å; W508-T537 VanDerWaalsContact CD1-O 3.28Å; W508-T537 PolarHBondContact N-OG1 2.9Å; N509-T537 HydrophobicContact CB-CG2 4.06Å; N509-T537 WeakPolarHBondContact ND2-CG2 3.13Å; P534-T537 HydrophobicContact CB-CG2 4.03Å
538K94Very high92.7Very high159 Ų15954.5 Ų54.569%0.69128%0.282SS*.  trans-117159.2179.5-66.9-176.2-179.8-176.40111.1W508 D536W508-K538 WeakPolarHBondContact CB-O 3.39Å; D536-K538 PolarHBondContact O-N 3.14Å
539P95.4Very high93.2Very high25 Ų2547.9 Ų47.916%0.16225%0.246CC..PPolyproline II helixtrans-49.6150.4164.9-24.634.4000112.1V104 P201 W508V104-P539 HydrophobicContact CG1-CB 4.17Å; P201-P539 HydrophobicContact CB-CB 3.78Å; P201-P539 HydrophobicContact CB-CG 3.49Å; P201-P539 VanDerWaalsContact CB-CG 3.49Å; P201-P539 HydrophobicContact CG-CB 3.92Å; P201-P539 HydrophobicContact CG-CG 3.71Å; W508-P539 HydrophobicContact CD2-CB 4.36Å; W508-P539 HydrophobicContact CD2-CG 3.86Å; W508-P539 HydrophobicContact CE3-CB 4.12Å; W508-P539 HydrophobicContact CE3-CG 4Å; W508-P539 HydrophobicContact CG-CG 4.49Å; W508-P539 HydrophobicContact CH2-CG 4.04Å; W508-P539 HydrophobicContact CZ2-CG 3.91Å; W508-P539 HydrophobicContact CZ3-CB 4.3Å; W508-P539 HydrophobicContact CZ3-CG 4.09Å
540T95.1Very high93.6Very high18 Ų1846.2 Ų46.211%0.1124%0.238CC..PPolyproline II helixtrans-82.8133.9172.2-63.50000108.9V104 E544 Q545V104-T540 WeakPolarHBondContact CG1-O 3.25Å; V104-T540 WeakPolarHBondContact CG2-O 3.3Å; T540-E544 HydrophobicContact CG2-CB 3.37Å; T540-Q545 HydrophobicContact CG2-CB 4.49Å
541P96.5Very high94Very high37 Ų3737.6 Ų37.624%0.2420%0.202CC..PPolyproline II helixtrans-50.8144.9177.5-28.534.8000112.7F543 E544 Q545 N625P541-F543 PolarHBondContact O-N 3.31Å; P541-F543 VanDerWaalsContact O-N 3.08Å; P541-E544 HydrophobicContact CB-CB 4.46Å; P541-E544 HydrophobicContact CB-CG 4.35Å; P541-E544 HydrophobicContact CG-CG 4.43Å; P541-E544 PolarHBondContact O-N 2.93Å; P541-Q545 PolarHBondContact O-N 2.97Å; P541-N625 WeakPolarHBondContact CB-OD1 3.46Å
542P97.3Very high94.3Very high5 Ų538 Ų383%0.03221%0.205CC..Hα-helixtrans-48-41.3-175.7-31.235.5000114.6V104 Q545 L546 N625V104-P542 HydrophobicContact CG2-CB 4.47Å; V104-P542 HydrophobicContact CG2-CG 4.06Å; P542-Q545 WeakPolarHBondContact O-CB 3.23Å; P542-Q545 PolarHBondContact O-N 3.46Å; P542-L546 VanDerWaalsContact O-CG 3.27Å; P542-L546 WeakPolarHBondContact O-CG 3.25Å; P542-L546 PolarHBondContact O-N 3.14Å; P542-N625 WeakPolarHBondContact CD-OD1 3.31Å
543F97.4Very high94.4Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-76-35.4-178.2-6915.6000112.7G163 P541 Q545 L546 M547 P559 W562 L617 E621 R624 N625G163-F543 WeakPolarHBondContact O-CE1 3.45Å; P541-F543 PolarHBondContact O-N 3.31Å; P541-F543 VanDerWaalsContact O-N 3.08Å; F543-Q545 VanDerWaalsContact C-N 3.28Å; F543-Q545 PolarHBondContact O-N 3.1Å; F543-L546 HydrophobicContact CD1-CD1 3.94Å; F543-L546 PolarHBondContact O-N 2.92Å; F543-M547 WeakPolarHBondContact O-CG 3.44Å; F543-M547 PolarHBondContact O-N 3.25Å; F543-P559 HydrophobicContact CD2-CG 3.76Å; F543-P559 HydrophobicContact CE2-CG 3.44Å; F543-P559 VanDerWaalsContact CE2-CG 3.44Å; F543-P559 HydrophobicContact CZ-CG 4.43Å; F543-W562 HydrophobicContact CB-CE3 3.92Å; F543-W562 HydrophobicContact CB-CH2 3.85Å; F543-W562 HydrophobicContact CB-CZ3 3.42Å; F543-W562 VanDerWaalsContact CB-CZ3 3.42Å; F543-L617 HydrophobicContact CD2-CD1 4.46Å; F543-L617 HydrophobicContact CD2-CD2 3.97Å; F543-L617 HydrophobicContact CE2-CD2 3.81Å; F543-E621 HydrophobicContact CE2-CB 3.79Å; F543-E621 HydrophobicContact CE2-CG 4.04Å; F543-E621 HydrophobicContact CZ-CB 3.87Å; F543-E621 HydrophobicContact CZ-CG 3.99Å; F543-E621 WeakPolarHBondContact CZ-O 3.26Å; F543-R624 HydrophobicContact CE1-CB 3.93Å; F543-R624 HydrophobicContact CZ-CB 4.12Å; F543-N625 WeakPolarHBondContact CB-OD1 3.45Å; F543-N625 HydrophobicContact CD1-CB 3.92Å; F543-N625 HydrophobicContact CD2-CB 4.22Å; F543-N625 HydrophobicContact CE1-CB 4.05Å; F543-N625 HydrophobicContact CE2-CB 4.36Å; F543-N625 HydrophobicContact CG-CB 4Å; F543-N625 HydrophobicContact CZ-CB 4.27Å; F543-N625 PolarHBondContact N-OD1 3.03Å
544E97Very high94.6Very high14 Ų1435.3 Ų35.37%0.06520%0.198CC..Hα-helixtrans-65-34.5170.5-69.9-176.1-161.300111.6T540 P541 S548 K607 L610 Y614T540-E544 HydrophobicContact CG2-CB 3.37Å; P541-E544 HydrophobicContact CB-CB 4.46Å; P541-E544 HydrophobicContact CB-CG 4.35Å; P541-E544 HydrophobicContact CG-CG 4.43Å; P541-E544 PolarHBondContact O-N 2.93Å; E544-S548 WeakPolarHBondContact O-CB 3.31Å; E544-S548 PolarHBondContact O-N 3.19Å; E544-S548 VanDerWaalsContact O-N 3.11Å; E544-S548 PolarHBondContact O-OG 3.5Å; E544-K607 WeakPolarHBondContact OE2-CE 3.37Å; E544-K607 IonicContact OE2-NZ 2.72Å; E544-L610 HydrophobicContact CB-CD1 4.49Å; E544-L610 HydrophobicContact CG-CD1 3.8Å; E544-Y614 PolarHBondContact OE1-OH 2.87Å
545Q97Very high94.8Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-63.5-51.4169.5175.5179-105.600110.3M110 T540 P541 P542 F543 M547 S548 V549M110-Q545 HydrophobicContact CE-CB 4.25Å; M110-Q545 HydrophobicContact CE-CG 4.1Å; M110-Q545 HydrophobicContact CG-CG 4.49Å; T540-Q545 HydrophobicContact CG2-CB 4.49Å; P541-Q545 PolarHBondContact O-N 2.97Å; P542-Q545 WeakPolarHBondContact O-CB 3.23Å; P542-Q545 PolarHBondContact O-N 3.46Å; F543-Q545 VanDerWaalsContact C-N 3.28Å; F543-Q545 PolarHBondContact O-N 3.1Å; Q545-M547 VanDerWaalsContact C-N 3.34Å; Q545-M547 PolarHBondContact O-N 3.15Å; Q545-S548 CarbonylContact O-C 3.54Å; Q545-S548 WeakPolarHBondContact O-CA 3.38Å; Q545-S548 WeakPolarHBondContact O-CB 3.47Å; Q545-S548 PolarHBondContact O-N 3.1Å; Q545-V549 HydrophobicContact CG-CG1 4.22Å; Q545-V549 HydrophobicContact CG-CG2 4.42Å; Q545-V549 WeakPolarHBondContact O-CG1 3.3Å; Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3.25Å; Q545-V549 VanDerWaalsContact O-N 3.1Å
546L97.6Very high95.4Very high0 Ų036.9 Ų36.90%020%0.195CC..Hα-helixtrans-52.6-49.2179.5-71.9166.9000111.5T161 P162 T164 P542 F543 S548 V549 F550 L558T161-L546 HydrophobicContact CG2-CD2 3.42Å; T161-L546 VanDerWaalsContact CG2-CD2 3.42Å; T161-L546 HydrophobicContact CG2-CG 4.44Å; P162-L546 WeakPolarHBondContact O-CG 3.38Å; T164-L546 HydrophobicContact CG2-CD2 3.84Å; P542-L546 VanDerWaalsContact O-CG 3.27Å; P542-L546 WeakPolarHBondContact O-CG 3.25Å; P542-L546 PolarHBondContact O-N 3.14Å; F543-L546 HydrophobicContact CD1-CD1 3.94Å; F543-L546 PolarHBondContact O-N 2.92Å; L546-S548 VanDerWaalsContact C-N 3.29Å; L546-S548 PolarHBondContact O-N 2.82Å; L546-V549 WeakPolarHBondContact O-CG2 3.42Å; L546-V549 PolarHBondContact O-N 3Å; L546-V549 VanDerWaalsContact O-N 3.12Å; L546-F550 HydrophobicContact CB-CD2 4.4Å; L546-F550 HydrophobicContact CB-CE2 4.46Å; L546-F550 HydrophobicContact CD2-CD1 4.49Å; L546-F550 HydrophobicContact CD2-CD2 4.03Å; L546-F550 HydrophobicContact CD2-CE1 3.89Å; L546-F550 HydrophobicContact CD2-CE2 3.34Å; L546-F550 HydrophobicContact CD2-CZ 3.27Å; L546-F550 HydrophobicContact CG-CE2 4.41Å; L546-F550 WeakPolarHBondContact O-CB 3.3Å; L546-F550 PolarHBondContact O-N 2.95Å; L546-L558 HydrophobicContact CB-CD2 3.7Å; L546-L558 HydrophobicContact CB-CG 4.32Å; L546-L558 HydrophobicContact CD1-CD2 4.15Å
547M97.7Very high95.9Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-58.9-37.6174.1-66.6-62.7-74.300112.7F543 Q545 V549 L558 W562 L565 M566 I573 Y577 L606 L610F543-M547 WeakPolarHBondContact O-CG 3.44Å; F543-M547 PolarHBondContact O-N 3.25Å; Q545-M547 VanDerWaalsContact C-N 3.34Å; Q545-M547 PolarHBondContact O-N 3.15Å; M547-V549 VanDerWaalsContact C-N 3.3Å; M547-V549 PolarHBondContact O-N 2.94Å; M547-L558 HydrophobicContact CG-CD2 4.25Å; M547-L558 HydrophobicContact SD-CD1 3.56Å; M547-L558 VanDerWaalsContact SD-CD1 3.56Å; M547-L558 HydrophobicContact SD-CD2 4.02Å; M547-L558 HydrophobicContact SD-CG 4.41Å; M547-W562 WeakPolarHBondContact CE-O 3.37Å; M547-W562 HydrophobicContact CG-CE3 3.65Å; M547-W562 HydrophobicContact CG-CZ3 4.08Å; M547-W562 HydrophobicContact SD-CB 4.2Å; M547-W562 HydrophobicContact SD-CE3 4.24Å; M547-L565 HydrophobicContact CE-CB 4.02Å; M547-L565 HydrophobicContact CE-CD1 4.4Å; M547-M566 HydrophobicContact CE-CG 3.95Å; M547-M566 HydrophobicContact SD-CG 4.23Å; M547-M566 HydrophobicContact SD-SD 4.29Å; M547-I573 HydrophobicContact CE-CD1 4.1Å; M547-Y577 WeakPolarHBondContact O-CE1 3.04Å; M547-Y577 PolarHBondContact O-OH 3.48Å; M547-L606 HydrophobicContact CB-CD1 4.05Å; M547-L606 HydrophobicContact CB-CD2 4.24Å; M547-L610 HydrophobicContact CE-CD2 4.24Å; M547-L610 HydrophobicContact CG-CD1 4.38Å; M547-L610 HydrophobicContact CG-CD2 4.24Å
548S96.8Very high96Very high5 Ų531.7 Ų31.74%0.03517%0.165CC..Hα-helixtrans-72.2-16.6178-66.30000114.8R107 R114 E544 Q545 L546 L606R107-S548 PolarHBondContact NH1-OG 3.44Å; R114-S548 WeakPolarHBondContact CD-O 3.49Å; E544-S548 WeakPolarHBondContact O-CB 3.31Å; E544-S548 PolarHBondContact O-N 3.19Å; E544-S548 VanDerWaalsContact O-N 3.11Å; E544-S548 PolarHBondContact O-OG 3.5Å; Q545-S548 CarbonylContact O-C 3.54Å; Q545-S548 WeakPolarHBondContact O-CA 3.38Å; Q545-S548 WeakPolarHBondContact O-CB 3.47Å; Q545-S548 PolarHBondContact O-N 3.1Å; L546-S548 VanDerWaalsContact C-N 3.29Å; L546-S548 PolarHBondContact O-N 2.82Å; S548-L606 VanDerWaalsContact OG-CD2 3.27Å; S548-L606 WeakPolarHBondContact OG-CD2 3.24Å
549V96.7Very high96.1Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-124.2-22.1-167.9-59.90000115.2M110 R114 T161 Q545 L546 M547M110-V549 HydrophobicContact CB-CG1 4.09Å; M110-V549 HydrophobicContact CE-CG1 4.47Å; M110-V549 HydrophobicContact CG-CG1 4.49Å; R114-V549 WeakPolarHBondContact CA-O 3.46Å; R114-V549 HydrophobicContact CB-CB 4.34Å; R114-V549 HydrophobicContact CB-CG1 4.48Å; T161-V549 HydrophobicContact CG2-CG2 4.47Å; Q545-V549 HydrophobicContact CG-CG1 4.22Å; Q545-V549 HydrophobicContact CG-CG2 4.42Å; Q545-V549 WeakPolarHBondContact O-CG1 3.3Å; Q545-V549 WeakPolarHBondContact O-CG2 3.36Å; Q545-V549 PolarHBondContact O-N 3.25Å; Q545-V549 VanDerWaalsContact O-N 3.1Å; L546-V549 WeakPolarHBondContact O-CG2 3.42Å; L546-V549 PolarHBondContact O-N 3Å; L546-V549 VanDerWaalsContact O-N 3.12Å; M547-V549 VanDerWaalsContact C-N 3.3Å; M547-V549 PolarHBondContact O-N 2.94Å
550F96.9Very high96.1Very high0 Ų028.2 Ų28.20%016%0.159CC..  trans-85.2143.3-178-78.8-5.5000113.5F118 N158 T161 T164 L546 H557 L558 M566F118-F550 VanDerWaalsContact CE2-O 3.26Å; F118-F550 WeakPolarHBondContact CE2-O 3.38Å; N158-F550 HydrophobicContact CB-CD1 4.34Å; N158-F550 HydrophobicContact CB-CE1 3.87Å; N158-F550 HydrophobicContact CB-CZ 4.35Å; N158-F550 VanDerWaalsContact O-CE1 3.23Å; N158-F550 WeakPolarHBondContact O-CE1 3.3Å; N158-F550 WeakPolarHBondContact O-CZ 3.24Å; T161-F550 HydrophobicContact CG2-CE1 4.11Å; T161-F550 HydrophobicContact CG2-CZ 4.33Å; T161-F550 WeakPolarHBondContact OG1-CE1 3.48Å; T164-F550 HydrophobicContact CG2-CE2 4.38Å; T164-F550 HydrophobicContact CG2-CZ 4Å; L546-F550 HydrophobicContact CB-CD2 4.4Å; L546-F550 HydrophobicContact CB-CE2 4.46Å; L546-F550 HydrophobicContact CD2-CD1 4.49Å; L546-F550 HydrophobicContact CD2-CD2 4.03Å; L546-F550 HydrophobicContact CD2-CE1 3.89Å; L546-F550 HydrophobicContact CD2-CE2 3.34Å; L546-F550 HydrophobicContact CD2-CZ 3.27Å; L546-F550 HydrophobicContact CG-CE2 4.41Å; L546-F550 WeakPolarHBondContact O-CB 3.3Å; L546-F550 PolarHBondContact O-N 2.95Å; F550-H557 HydrophobicContact CE2-CB 4.01Å; F550-L558 HydrophobicContact CD2-CD1 4.3Å; F550-M566 HydrophobicContact CB-CE 3.91Å; F550-M566 WeakPolarHBondContact O-CE 3.17Å
551P96.3Very high96.2Very high7 Ų728.4 Ų28.45%0.04516%0.161CC..  trans-76.7158.6159.932.6-30.7000110.6F118 S121 A553 S554F118-P551 HydrophobicContact CD1-CB 3.96Å; F118-P551 HydrophobicContact CD2-CB 3.99Å; F118-P551 HydrophobicContact CE1-CB 4.05Å; F118-P551 HydrophobicContact CE2-CB 4.08Å; F118-P551 HydrophobicContact CG-CB 3.95Å; F118-P551 HydrophobicContact CZ-CB 4.12Å; S121-P551 WeakPolarHBondContact OG-CG 3.46Å; P551-A553 PolarHBondContact O-N 3.4Å; P551-S554 PolarHBondContact O-N 2.97Å
552P95.7Very high96.2Very high28 Ų2826.7 Ų26.718%0.18215%0.15CC..G310 helixtrans-55.7-24.3178.6-29.837.6000115.7S554 R555 M566 I567 Y577P552-S554 PolarHBondContact O-N 2.96Å; P552-R555 WeakPolarHBondContact O-CB 3.49Å; P552-R555 VanDerWaalsContact O-CG 3.28Å; P552-R555 WeakPolarHBondContact O-CG 3.38Å; P552-R555 PolarHBondContact O-N 2.82Å; P552-M566 HydrophobicContact CB-CB 4.38Å; P552-M566 HydrophobicContact CG-CB 4.34Å; P552-I567 HydrophobicContact CB-CG2 3.98Å; P552-Y577 HydrophobicContact CG-CD1 4.44Å; P552-Y577 HydrophobicContact CG-CG 4.33Å
553A93.5Very high96.1Very high71 Ų7126.6 Ų26.659%0.58715%0.15SC*.G310 helixtrans-60.1-33.217500000112.7P551P551-A553 PolarHBondContact O-N 3.4Å
554S95.1Very high96.1Very high1 Ų130.5 Ų30.51%0.00717%0.169CC..G310 helixtrans-94.917.1-178.8-63.80000113.5D156 N158 P551 P552 M556 H557D156-S554 PolarHBondContact OD1-OG 3.37Å; D156-S554 VanDerWaalsContact OD2-CB 3.23Å; D156-S554 WeakPolarHBondContact OD2-CB 3.37Å; D156-S554 PolarHBondContact OD2-OG 3.28Å; N158-S554 WeakPolarHBondContact CB-OG 3.24Å; N158-S554 PolarHBondContact ND2-OG 3.36Å; P551-S554 PolarHBondContact O-N 2.97Å; P552-S554 PolarHBondContact O-N 2.96Å; S554-M556 PolarHBondContact O-N 3.36Å; S554-M556 VanDerWaalsContact O-N 3.13Å; S554-H557 PolarHBondContact O-CD2 3.35Å; S554-H557 PolarHBondContact O-N 3.13Å
555R94.9Very high96.1Very high117 Ų11730.9 Ų30.944%0.44217%0.171SC..G310 helixtrans-61.9-19.5-179.373.6-176.8-170.1-121.92.3114.1P552 H557 L558 M566P552-R555 WeakPolarHBondContact O-CB 3.49Å; P552-R555 VanDerWaalsContact O-CG 3.28Å; P552-R555 WeakPolarHBondContact O-CG 3.38Å; P552-R555 PolarHBondContact O-N 2.82Å; R555-H557 PolarHBondContact O-N 2.94Å; R555-L558 WeakPolarHBondContact O-CB 3.5Å; R555-L558 PolarHBondContact O-N 3.08Å; R555-M566 HydrophobicContact CB-SD 3.9Å
556M93.7Very high96.1Very high139 Ų13931 Ų3169%0.68517%0.171SC*.G310 helixtrans-63.4-19.7-179.564.7-159.6-75.200114.6S554S554-M556 PolarHBondContact O-N 3.36Å; S554-M556 VanDerWaalsContact O-N 3.13Å
557H94.9Very high96.1Very high28 Ų2834.2 Ų34.213%0.1319%0.188CC..G310 helixtrans-91.30178.3-48.2-71.9000113.7D156 T164 F550 S554 R555D156-H557 IonicContact OD2-CD2 3.13Å; D156-H557 PolarHBondContact OD2-CD2 3.28Å; D156-H557 IonicContact OD2-NE2 3.38Å; D156-H557 PolarHBondContact OD2-NE2 2.88Å; T164-H557 HydrophobicContact CG2-CB 3.97Å; F550-H557 HydrophobicContact CE2-CB 4.01Å; S554-H557 PolarHBondContact O-CD2 3.35Å; S554-H557 PolarHBondContact O-N 3.13Å; R555-H557 PolarHBondContact O-N 2.94Å
558L96Very high95.9Very high11 Ų1138.1 Ų38.16%0.05821%0.205CC..SBendtrans-101.7160.4175-78.4156.5000110.1L546 M547 F550 R555 W562 M566L546-L558 HydrophobicContact CB-CD2 3.7Å; L546-L558 HydrophobicContact CB-CG 4.32Å; L546-L558 HydrophobicContact CD1-CD2 4.15Å; M547-L558 HydrophobicContact CG-CD2 4.25Å; M547-L558 HydrophobicContact SD-CD1 3.56Å; M547-L558 VanDerWaalsContact SD-CD1 3.56Å; M547-L558 HydrophobicContact SD-CD2 4.02Å; M547-L558 HydrophobicContact SD-CG 4.41Å; F550-L558 HydrophobicContact CD2-CD1 4.3Å; R555-L558 WeakPolarHBondContact O-CB 3.5Å; R555-L558 PolarHBondContact O-N 3.08Å; L558-W562 HydrophobicContact CB-CB 4.35Å; L558-W562 HydrophobicContact CD2-CB 4.45Å; L558-W562 HydrophobicContact CD2-CE3 4.38Å; L558-M566 HydrophobicContact CD1-SD 3.61Å
559P96.3Very high95.9Very high3 Ų343.6 Ų43.62%0.01924%0.24CC..  trans-53.1142.5166.5-20.629.6000110.6F543 S561 W562 G563 L617 E621F543-P559 HydrophobicContact CD2-CG 3.76Å; F543-P559 HydrophobicContact CE2-CG 3.44Å; F543-P559 VanDerWaalsContact CE2-CG 3.44Å; F543-P559 HydrophobicContact CZ-CG 4.43Å; P559-S561 PolarHBondContact O-N 3.43Å; P559-W562 HydrophobicContact CB-CB 4.31Å; P559-W562 HydrophobicContact CB-CG 4.11Å; P559-W562 HydrophobicContact CG-CB 4.42Å; P559-W562 HydrophobicContact CG-CD2 4.47Å; P559-W562 HydrophobicContact CG-CG 4.02Å; P559-W562 WeakPolarHBondContact O-CB 3.48Å; P559-W562 PolarHBondContact O-N 2.68Å; P559-G563 PolarHBondContact O-N 3.25Å; P559-L617 HydrophobicContact CB-CD2 4.08Å; P559-L617 HydrophobicContact CG-CD2 3.49Å; P559-L617 VanDerWaalsContact CG-CD2 3.49Å; P559-E621 WeakPolarHBondContact CA-OE1 3.4Å; P559-E621 WeakPolarHBondContact CB-OE1 3.24Å; P559-E621 HydrophobicContact CG-CG 4.4Å; P559-E621 WeakPolarHBondContact CG-OE1 3.49Å
560P95.8Very high95.8Very high108 Ų10850.2 Ų50.270%0.70128%0.276SS*.Hα-helixtrans-52.8-46-174.7-30.536.3000114.3W562 G563 E564P560-W562 VanDerWaalsContact C-N 3.29Å; P560-W562 PolarHBondContact O-N 3.35Å; P560-G563 PolarHBondContact O-N 3.13Å; P560-E564 WeakPolarHBondContact O-CG 3.38Å; P560-E564 PolarHBondContact O-N 2.93Å
561S96.1Very high95.8Very high23 Ų2350.6 Ų50.616%0.16128%0.278CS..Hα-helixtrans-65.9-28.7179.459.40000113.6P559 D616P559-S561 PolarHBondContact O-N 3.43Å; S561-D616 WeakPolarHBondContact CB-OD2 3.43Å; S561-D616 PolarHBondContact OG-OD2 3.13Å
562W97.2Very high95.8Very high0 Ų054.1 Ų54.10%030%0.301CS..Hα-helixtrans-73.3-43.3173.1-69.450.7000110.7F543 M547 L558 P559 P560 E564 L565 L610 V613 Y614 L617F543-W562 HydrophobicContact CB-CE3 3.92Å; F543-W562 HydrophobicContact CB-CH2 3.85Å; F543-W562 HydrophobicContact CB-CZ3 3.42Å; F543-W562 VanDerWaalsContact CB-CZ3 3.42Å; M547-W562 WeakPolarHBondContact CE-O 3.37Å; M547-W562 HydrophobicContact CG-CE3 3.65Å; M547-W562 HydrophobicContact CG-CZ3 4.08Å; M547-W562 HydrophobicContact SD-CB 4.2Å; M547-W562 HydrophobicContact SD-CE3 4.24Å; L558-W562 HydrophobicContact CB-CB 4.35Å; L558-W562 HydrophobicContact CD2-CB 4.45Å; L558-W562 HydrophobicContact CD2-CE3 4.38Å; P559-W562 HydrophobicContact CB-CB 4.31Å; P559-W562 HydrophobicContact CB-CG 4.11Å; P559-W562 HydrophobicContact CG-CB 4.42Å; P559-W562 HydrophobicContact CG-CD2 4.47Å; P559-W562 HydrophobicContact CG-CG 4.02Å; P559-W562 WeakPolarHBondContact O-CB 3.48Å; P559-W562 PolarHBondContact O-N 2.68Å; P560-W562 VanDerWaalsContact C-N 3.29Å; P560-W562 PolarHBondContact O-N 3.35Å; W562-E564 VanDerWaalsContact C-N 3.28Å; W562-E564 PolarHBondContact O-N 3.22Å; W562-L565 WeakPolarHBondContact O-CB 3.39Å; W562-L565 PolarHBondContact O-N 2.92Å; W562-L610 HydrophobicContact CD2-CD2 3.95Å; W562-L610 HydrophobicContact CE3-CD1 4.35Å; W562-L610 HydrophobicContact CE3-CD2 3.59Å; W562-L610 HydrophobicContact CH2-CB 4.36Å; W562-L610 HydrophobicContact CH2-CD1 4.03Å; W562-L610 HydrophobicContact CH2-CD2 4.1Å; W562-L610 HydrophobicContact CH2-CG 4.4Å; W562-L610 HydrophobicContact CZ2-CD2 4.43Å; W562-L610 HydrophobicContact CZ3-CD1 3.64Å; W562-L610 HydrophobicContact CZ3-CD2 3.67Å; W562-L610 HydrophobicContact CZ3-CG 4.18Å; W562-V613 HydrophobicContact CD2-CG2 4.08Å; W562-V613 HydrophobicContact CG-CB 4.48Å; W562-V613 HydrophobicContact CG-CG2 3.98Å; W562-V613 HydrophobicContact CZ2-CG2 4.35Å; W562-V613 PolarHBondContact NE1-O 2.96Å; W562-Y614 HydrophobicContact CH2-CD1 4.43Å; W562-Y614 HydrophobicContact CH2-CD2 4.44Å; W562-Y614 HydrophobicContact CH2-CE1 4.04Å; W562-Y614 HydrophobicContact CH2-CE2 4.06Å; W562-Y614 AromaticContact CH2-CZ 3.85Å; W562-Y614 AromaticContact CZ2-CD1 4Å; W562-Y614 HydrophobicContact CZ2-CD1 4Å; W562-Y614 HydrophobicContact CZ2-CD2 4.26Å; W562-Y614 HydrophobicContact CZ2-CE1 4.06Å; W562-Y614 HydrophobicContact CZ2-CE2 4.33Å; W562-Y614 HydrophobicContact CZ2-CG 4.1Å; W562-L617 HydrophobicContact CZ2-CD1 4.38Å; W562-L617 HydrophobicContact CZ2-CD2 4.24Å
563G96.4Very high95.9Very high4 Ų452.8 Ų52.84%0.04129%0.293CS..Hα-helixtrans-63.1-30.9177.100000113.7P559 P560 L565 M566P559-G563 PolarHBondContact O-N 3.25Å; P560-G563 PolarHBondContact O-N 3.13Å; G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.12Å; G563-M566 WeakPolarHBondContact O-CB 3.35Å; G563-M566 PolarHBondContact O-N 3.01Å
564E96.5Very high96.1Very high82 Ų8252 Ų5238%0.38328%0.278SS..Hα-helixtrans-63.1-34.8174-73.8-169129.200113.3P560 W562 M566 I567 K568P560-E564 WeakPolarHBondContact O-CG 3.38Å; P560-E564 PolarHBondContact O-N 2.93Å; W562-E564 VanDerWaalsContact C-N 3.28Å; W562-E564 PolarHBondContact O-N 3.22Å; E564-M566 PolarHBondContact O-N 3.32Å; E564-M566 VanDerWaalsContact O-N 3.14Å; E564-I567 VanDerWaalsContact O-CG1 3.3Å; E564-I567 WeakPolarHBondContact O-CG1 3.46Å; E564-I567 PolarHBondContact O-N 3.22Å; E564-I567 VanDerWaalsContact O-N 3.08Å; E564-K568 HydrophobicContact CB-CD 4.05Å; E564-K568 HydrophobicContact CB-CG 4.41Å; E564-K568 WeakPolarHBondContact O-CB 3.27Å; E564-K568 WeakPolarHBondContact O-CG 3.38Å; E564-K568 PolarHBondContact O-N 2.69Å; E564-K568 WeakPolarHBondContact OE1-CE 3.4Å; E564-K568 IonicContact OE1-NZ 2.79Å; E564-K568 PolarHBondContact OE1-NZ 3.41Å; E564-K568 IonicContact OE2-NZ 2.83Å; E564-K568 PolarHBondContact OE2-NZ 3.24Å
565L97.2Very high96.2Very high22 Ų2255.9 Ų55.912%0.11530%0.299CS..THydrogen-bonded Turntrans-63.8-17.5178.1-64.7172.3000113.1M547 W562 G563 S571 I573 T609 L610 V613M547-L565 HydrophobicContact CE-CB 4.02Å; M547-L565 HydrophobicContact CE-CD1 4.4Å; W562-L565 WeakPolarHBondContact O-CB 3.39Å; W562-L565 PolarHBondContact O-N 2.92Å; G563-L565 VanDerWaalsContact C-N 3.33Å; G563-L565 PolarHBondContact O-N 3.12Å; L565-S571 VanDerWaalsContact O-CB 3.23Å; L565-S571 WeakPolarHBondContact O-CB 3.19Å; L565-S571 PolarHBondContact O-OG 2.94Å; L565-I573 HydrophobicContact CB-CD1 4.22Å; L565-T609 HydrophobicContact CD1-CG2 4.2Å; L565-T609 HydrophobicContact CD2-CG2 4.2Å; L565-L610 HydrophobicContact CD1-CD2 3.93Å; L565-V613 HydrophobicContact CD1-CG1 4.29Å; L565-V613 HydrophobicContact CD1-CG2 3.88Å
566M97.2Very high96.3Very high1 Ų150.5 Ų50.51%0.00528%0.279CS..THydrogen-bonded Turntrans-84.9-11.4177.3-52.6178.978.700113.6M547 F550 P552 R555 L558 G563 E564 Y577M547-M566 HydrophobicContact CE-CG 3.95Å; M547-M566 HydrophobicContact SD-CG 4.23Å; M547-M566 HydrophobicContact SD-SD 4.29Å; F550-M566 HydrophobicContact CB-CE 3.91Å; F550-M566 WeakPolarHBondContact O-CE 3.17Å; P552-M566 HydrophobicContact CB-CB 4.38Å; P552-M566 HydrophobicContact CG-CB 4.34Å; R555-M566 HydrophobicContact CB-SD 3.9Å; L558-M566 HydrophobicContact CD1-SD 3.61Å; G563-M566 WeakPolarHBondContact O-CB 3.35Å; G563-M566 PolarHBondContact O-N 3.01Å; E564-M566 PolarHBondContact O-N 3.32Å; E564-M566 VanDerWaalsContact O-N 3.14Å; M566-Y577 HydrophobicContact CB-CD1 4.4Å; M566-Y577 HydrophobicContact CB-CD2 4.26Å; M566-Y577 HydrophobicContact CB-CE2 4.4Å; M566-Y577 HydrophobicContact CB-CG 4.26Å; M566-Y577 HydrophobicContact CE-CD1 3.75Å; M566-Y577 HydrophobicContact CE-CE1 3.54Å; M566-Y577 HydrophobicContact CG-CD1 4.43Å; M566-Y577 HydrophobicContact CG-CE1 4.12Å; M566-Y577 HydrophobicContact CG-CE2 4.23Å
567I96.3Very high96.4Very high69 Ų6944.2 Ų44.235%0.35425%0.247SC..THydrogen-bonded Turntrans-130.2-27-172.358167.8000114.8P552 E564 P569P552-I567 HydrophobicContact CB-CG2 3.98Å; E564-I567 VanDerWaalsContact O-CG1 3.3Å; E564-I567 WeakPolarHBondContact O-CG1 3.46Å; E564-I567 PolarHBondContact O-N 3.22Å; E564-I567 VanDerWaalsContact O-N 3.08Å; I567-P569 WeakPolarHBondContact O-CD 3.39Å
568K95.4Very high96.4Very high82 Ų8244.8 Ų44.836%0.35725%0.253SS..  trans-68.5121.8-177.9-79.5-176.4174.8169.90109.8E564 N570 S571E564-K568 HydrophobicContact CB-CD 4.05Å; E564-K568 HydrophobicContact CB-CG 4.41Å; E564-K568 WeakPolarHBondContact O-CB 3.27Å; E564-K568 WeakPolarHBondContact O-CG 3.38Å; E564-K568 PolarHBondContact O-N 2.69Å; E564-K568 WeakPolarHBondContact OE1-CE 3.4Å; E564-K568 IonicContact OE1-NZ 2.79Å; E564-K568 PolarHBondContact OE1-NZ 3.41Å; E564-K568 IonicContact OE2-NZ 2.83Å; E564-K568 PolarHBondContact OE2-NZ 3.24Å; K568-N570 WeakPolarHBondContact CB-OD1 3.38Å; K568-N570 PolarHBondContact O-N 2.83Å; K568-S571 WeakPolarHBondContact O-CB 3.4Å; K568-S571 PolarHBondContact O-N 3.34Å
569P95.3Very high96.1Very high120 Ų12051.4 Ų51.478%0.77930%0.295SS*.THydrogen-bonded Turntrans-60.7-20.6-176.4-27.236.1000115.1I567I567-P569 WeakPolarHBondContact O-CD 3.39Å
570N95.6Very high95.9Very high138 Ų13856.2 Ų56.274%0.73832%0.32SS*.THydrogen-bonded Turntrans-936.317666.6-28000113.9K568K568-N570 WeakPolarHBondContact CB-OD1 3.38Å; K568-N570 PolarHBondContact O-N 2.83Å
571S96.4Very high95.7Very high8 Ų851.9 Ų51.96%0.05629%0.29CS..  trans-65.3130.9175.61720000110.8L565 K568 I573 I574L565-S571 VanDerWaalsContact O-CB 3.23Å; L565-S571 WeakPolarHBondContact O-CB 3.19Å; L565-S571 PolarHBondContact O-OG 2.94Å; K568-S571 WeakPolarHBondContact O-CB 3.4Å; K568-S571 PolarHBondContact O-N 3.34Å; S571-I573 PolarHBondContact O-N 3.19Å; S571-I573 VanDerWaalsContact OG-CG1 3.3Å; S571-I573 WeakPolarHBondContact OG-CG1 3.31Å; S571-I573 PolarHBondContact OG-N 3.14Å; S571-I574 WeakPolarHBondContact O-CG2 3.21Å; S571-I574 PolarHBondContact O-N 3.46Å; S571-I574 VanDerWaalsContact O-N 3.11Å
572P96.7Very high95.4Very high81 Ų8158.1 Ų58.153%0.52631%0.314SS..THydrogen-bonded Turntrans-61.3-6178.1-23.934.1000115.4R605 T609P572-R605 PolarHBondContact O-NE 3.27Å; P572-T609 HydrophobicContact CB-CG2 4.32Å; P572-T609 HydrophobicContact CG-CG2 4.16Å
573I97.5Very high94.9Very high0 Ų060.1 Ų60.10%033%0.327CS..THydrogen-bonded Turntrans-126.813.3-177.457.7172.4000112.9M547 L565 S571 D575 F576 Y577 L606 T609M547-I573 HydrophobicContact CE-CD1 4.1Å; L565-I573 HydrophobicContact CB-CD1 4.22Å; S571-I573 PolarHBondContact O-N 3.19Å; S571-I573 VanDerWaalsContact OG-CG1 3.3Å; S571-I573 WeakPolarHBondContact OG-CG1 3.31Å; S571-I573 PolarHBondContact OG-N 3.14Å; I573-D575 PolarHBondContact O-N 3.37Å; I573-F576 HydrophobicContact CB-CD2 3.62Å; I573-F576 HydrophobicContact CB-CE2 3.76Å; I573-F576 HydrophobicContact CB-CG 4.42Å; I573-F576 HydrophobicContact CG2-CD2 3.95Å; I573-F576 HydrophobicContact CG2-CE2 3.53Å; I573-F576 HydrophobicContact CG2-CZ 4.31Å; I573-F576 WeakPolarHBondContact O-CB 3.28Å; I573-F576 PolarHBondContact O-N 3.19Å; I573-Y577 HydrophobicContact CB-CE2 4.48Å; I573-Y577 HydrophobicContact CD1-CE2 4.06Å; I573-Y577 HydrophobicContact CG1-CE2 4.08Å; I573-Y577 VanDerWaalsContact O-CD2 3.3Å; I573-Y577 WeakPolarHBondContact O-CD2 3.37Å; I573-Y577 WeakPolarHBondContact O-CE2 3.43Å; I573-L606 HydrophobicContact CD1-CD1 3.64Å; I573-T609 HydrophobicContact CD1-CG2 4.18Å; I573-T609 HydrophobicContact CG1-CG2 4.22Å; I573-T609 HydrophobicContact CG2-CG2 4.39Å; I573-T609 WeakPolarHBondContact CG2-OG1 3.48Å
574I97.4Very high94.3Very high54 Ų5461.1 Ų61.128%0.27733%0.331SS..G310 helixtrans-58.9-31.9-176.5-168.458.7000113.3S571 F576 Y577S571-I574 WeakPolarHBondContact O-CG2 3.21Å; S571-I574 PolarHBondContact O-N 3.46Å; S571-I574 VanDerWaalsContact O-N 3.11Å; I574-F576 PolarHBondContact O-N 3.19Å; I574-Y577 PolarHBondContact O-N 2.87Å
575D96.5Very high93.3Very high84 Ų8460.2 Ų60.245%0.44933%0.329SS..G310 helixtrans-66-15.717661-52.6000113.7I573 Y577 P599 R605I573-D575 PolarHBondContact O-N 3.37Å; D575-Y577 PolarHBondContact O-N 2.91Å; D575-P599 VanDerWaalsContact O-CG 3.28Å; D575-P599 WeakPolarHBondContact O-CG 3.34Å; D575-R605 IonicContact OD1-CZ 2.64Å; D575-R605 IonicContact OD1-NH2 2.72Å; D575-R605 PolarHBondContact OD1-NH2 3.31Å; D575-R605 IonicContact OD2-CZ 2.7Å; D575-R605 IonicContact OD2-NH1 3.2Å; D575-R605 PolarHBondContact OD2-NH1 3.02Å; D575-R605 IonicContact OD2-NH2 3.98Å; D575-R605 PolarHBondContact OD2-NH2 2.87Å
576F97.1Very high92.2Very high4 Ų461.3 Ų61.32%0.01834%0.335CS..G310 helixtrans-72.6-15.5168.2-60.6-21.9000113R114 I573 I574 P578 V601 D602 L606R114-F576 PolarHBondContact NH2-O 2.98Å; I573-F576 HydrophobicContact CB-CD2 3.62Å; I573-F576 HydrophobicContact CB-CE2 3.76Å; I573-F576 HydrophobicContact CB-CG 4.42Å; I573-F576 HydrophobicContact CG2-CD2 3.95Å; I573-F576 HydrophobicContact CG2-CE2 3.53Å; I573-F576 HydrophobicContact CG2-CZ 4.31Å; I573-F576 WeakPolarHBondContact O-CB 3.28Å; I573-F576 PolarHBondContact O-N 3.19Å; I574-F576 PolarHBondContact O-N 3.19Å; F576-P578 VanDerWaalsContact O-CD 3.24Å; F576-P578 WeakPolarHBondContact O-CD 3.48Å; F576-V601 HydrophobicContact CB-CG2 3.92Å; F576-V601 HydrophobicContact CD1-CG2 4.16Å; F576-V601 HydrophobicContact CD2-CB 4.27Å; F576-V601 HydrophobicContact CD2-CG1 4.13Å; F576-V601 HydrophobicContact CD2-CG2 3.68Å; F576-V601 HydrophobicContact CE2-CB 4.32Å; F576-V601 HydrophobicContact CE2-CG1 3.88Å; F576-V601 HydrophobicContact CE2-CG2 4.23Å; F576-V601 HydrophobicContact CG-CB 4.42Å; F576-V601 HydrophobicContact CG-CG2 3.67Å; F576-V601 HydrophobicContact CZ-CB 4.49Å; F576-V601 HydrophobicContact CZ-CG1 4.28Å; F576-D602 HydrophobicContact CE1-CB 4.3Å; F576-D602 HydrophobicContact CZ-CB 3.82Å; F576-L606 HydrophobicContact CE2-CB 4.29Å
577Y96.9Very high90.6Very high7 Ų762.6 Ų62.63%0.02735%0.348CS..SBendtrans-122.362.5-171-51.2-72.4000111.9F118 M547 P552 M566 I573 I574 D575 T579F118-Y577 HydrophobicContact CZ-CD1 4.29Å; M547-Y577 WeakPolarHBondContact O-CE1 3.04Å; M547-Y577 PolarHBondContact O-OH 3.48Å; P552-Y577 HydrophobicContact CG-CD1 4.44Å; P552-Y577 HydrophobicContact CG-CG 4.33Å; M566-Y577 HydrophobicContact CB-CD1 4.4Å; M566-Y577 HydrophobicContact CB-CD2 4.26Å; M566-Y577 HydrophobicContact CB-CE2 4.4Å; M566-Y577 HydrophobicContact CB-CG 4.26Å; M566-Y577 HydrophobicContact CE-CD1 3.75Å; M566-Y577 HydrophobicContact CE-CE1 3.54Å; M566-Y577 HydrophobicContact CG-CD1 4.43Å; M566-Y577 HydrophobicContact CG-CE1 4.12Å; M566-Y577 HydrophobicContact CG-CE2 4.23Å; I573-Y577 HydrophobicContact CB-CE2 4.48Å; I573-Y577 HydrophobicContact CD1-CE2 4.06Å; I573-Y577 HydrophobicContact CG1-CE2 4.08Å; I573-Y577 VanDerWaalsContact O-CD2 3.3Å; I573-Y577 WeakPolarHBondContact O-CD2 3.37Å; I573-Y577 WeakPolarHBondContact O-CE2 3.43Å; I574-Y577 PolarHBondContact O-N 2.87Å; D575-Y577 PolarHBondContact O-N 2.91Å; Y577-T579 PolarHBondContact O-N 3.31Å
578P95Very high89.1Confident39 Ų3962.4 Ų62.425%0.25334%0.344SS..  trans-63.5137.8179.329.7-36.3000110.9F576 D580 L598F576-P578 VanDerWaalsContact O-CD 3.24Å; F576-P578 WeakPolarHBondContact O-CD 3.48Å; P578-D580 VanDerWaalsContact C-N 3.33Å; P578-L598 HydrophobicContact CG-CD2 4.18Å
579T89.1Confident87.5Confident151 Ų15165.7 Ų65.793%0.92636%0.355SS*.SBendtrans-67-32.3178.348.70000112.8Y577Y577-T579 PolarHBondContact O-N 3.31Å
580D91.3Very high86.1Confident104 Ų10464.2 Ų64.256%0.55634%0.336SS*.SBendtrans-134.7151.1167.9-172.828.5000111.3K122 P578K122-D580 IonicContact NZ-OD1 2.71Å; K122-D580 PolarHBondContact NZ-OD1 3.26Å; K122-D580 IonicContact NZ-OD2 3.27Å; P578-D580 VanDerWaalsContact C-N 3.33Å
581F91.9Very high84.8Confident16 Ų1660.2 Ų60.27%0.0732%0.322CS..  trans-141.5147178.464.6-85.5000112.2F118 R119 K122 V583 A596 L598F118-F581 HydrophobicContact CB-CE1 3.9Å; F118-F581 HydrophobicContact CB-CZ 3.99Å; F118-F581 HydrophobicContact CD1-CD1 4.22Å; F118-F581 HydrophobicContact CD1-CE1 4.15Å; F118-F581 WeakPolarHBondContact O-CE1 3.2Å; F118-F581 WeakPolarHBondContact O-CZ 3.34Å; R119-F581 HydrophobicContact CG-CE2 3.84Å; R119-F581 HydrophobicContact CG-CZ 3.9Å; K122-F581 HydrophobicContact CB-CE1 4.22Å; K122-F581 HydrophobicContact CB-CZ 4.23Å; K122-F581 HydrophobicContact CD-CE1 4.05Å; K122-F581 HydrophobicContact CD-CZ 4.08Å; F581-V583 HydrophobicContact CD2-CG2 4.21Å; F581-V583 HydrophobicContact CE2-CG2 3.75Å; F581-A596 HydrophobicContact CD2-CB 3.98Å; F581-A596 HydrophobicContact CE2-CB 3.75Å; F581-L598 HydrophobicContact CB-CD2 3.78Å; F581-L598 HydrophobicContact CD1-CD2 3.89Å; F581-L598 HydrophobicContact CD2-CD2 4.06Å; F581-L598 HydrophobicContact CD2-CG 4.44Å; F581-L598 HydrophobicContact CG-CD2 3.62Å; F581-L598 HydrophobicContact CG-CG 4.46Å
582K90.2Very high83.4Confident154 Ų15466.3 Ų66.367%0.6734%0.344SS*.  trans-78.4131.5-179.5-174.8171.4-177.61730111.5L597K582-L597 HydrophobicContact CB-CD1 4.33Å; K582-L597 HydrophobicContact CD-CD1 4.29Å; K582-L597 HydrophobicContact CG-CD1 4.3Å; K582-L597 WeakPolarHBondContact O-CB 3.44Å; K582-L597 PolarHBondContact O-N 3.35Å
583V86.4Confident82.1Confident43 Ų4365.2 Ų65.226%0.26133%0.332SS..EExtended strand (participates in β ladder)trans-101.3107.9167.7-179.40000109.4R119 F581 L585 V595R119-V583 HydrophobicContact CG-CG2 4.49Å; F581-V583 HydrophobicContact CD2-CG2 4.21Å; F581-V583 HydrophobicContact CE2-CG2 3.75Å; V583-L585 PolarHBondContact O-N 3.11Å; V583-V595 CarbonylContact C-O 3.6Å; V583-V595 WeakPolarHBondContact CA-O 3.49Å
584D84.7Confident81Confident25 Ų2565.3 Ų65.313%0.13433%0.333CS..EExtended strand (participates in β ladder)trans-79.9117.3172.8171.240.1000110.8K472 Y516 N586 G594 V595 L597K472-D584 WeakPolarHBondContact CE-OD2 3.47Å; K472-D584 IonicContact NZ-OD1 3.54Å; K472-D584 PolarHBondContact NZ-OD1 3.21Å; K472-D584 VanDerWaalsContact NZ-OD1 3.14Å; K472-D584 IonicContact NZ-OD2 2.72Å; K472-D584 PolarHBondContact NZ-OD2 2.92Å; Y516-D584 WeakPolarHBondContact CE1-OD2 3.33Å; Y516-D584 PolarHBondContact OH-OD2 2.61Å; D584-N586 PolarHBondContact O-N 3.34Å; D584-N586 PolarHBondContact OD1-N 3.31Å; D584-N586 WeakPolarHBondContact OD2-CB 3.48Å; D584-G594 CarbonylContact O-C 3.58Å; D584-G594 WeakPolarHBondContact O-CA 3.37Å; D584-V595 PolarHBondContact N-O 3.12Å; D584-V595 PolarHBondContact O-N 3.2Å; D584-L597 HydrophobicContact CB-CD1 4.33Å
585L76Confident80.4Confident63 Ų6363.4 Ų63.433%0.3332%0.324SS..  trans-63.7-25.3177.7-67.3178.3000113.2V583 G587 K588V583-L585 PolarHBondContact O-N 3.11Å; L585-G587 PolarHBondContact O-N 3.45Å; L585-K588 WeakPolarHBondContact O-CB 3.49Å; L585-K588 VanDerWaalsContact O-CG 3.32Å; L585-K588 WeakPolarHBondContact O-CG 3.39Å; L585-K588 PolarHBondContact O-N 3.47Å
586N73Confident80Confident45 Ų4559.6 Ų59.624%0.24130%0.304CS..THydrogen-bonded Turntrans43.543.6179.6-155.611.2000114.3D584 K588D584-N586 PolarHBondContact O-N 3.34Å; D584-N586 PolarHBondContact OD1-N 3.31Å; D584-N586 WeakPolarHBondContact OD2-CB 3.48Å; N586-K588 VanDerWaalsContact C-N 3.31Å; N586-K588 PolarHBondContact O-N 3.03Å
587G63.4Low79.7Confident28 Ų2861.9 Ų61.929%0.28932%0.316SS..THydrogen-bonded Turntrans75.49.7-179.400000116.9L585L585-G587 PolarHBondContact O-N 3.45Å
588K65.7Low79.6Confident64 Ų6461.9 Ų61.928%0.27832%0.317SS..  trans-85.2165168.9-51.7-58.7177.3-179.60110.8N346 L585 N586 Q593N346-K588 PolarHBondContact OD1-NZ 3.37Å; L585-K588 WeakPolarHBondContact O-CB 3.49Å; L585-K588 VanDerWaalsContact O-CG 3.32Å; L585-K588 WeakPolarHBondContact O-CG 3.39Å; L585-K588 PolarHBondContact O-N 3.47Å; N586-K588 VanDerWaalsContact C-N 3.31Å; N586-K588 PolarHBondContact O-N 3.03Å; K588-Q593 HydrophobicContact CB-CB 3.44Å; K588-Q593 VanDerWaalsContact CB-CB 3.44Å; K588-Q593 HydrophobicContact CB-CG 4.42Å; K588-Q593 HydrophobicContact CG-CB 3.8Å
589R62.3Low79.6Confident152 Ų15262.5 Ų62.557%0.57432%0.321SS*.SBendtrans-90.6-29.2-173-178.8174.8177.5-161-4.5113.4
590F64.7Low79.9Confident89 Ų8958.2 Ų58.239%0.3929%0.289SS..SBendtrans-126.6147.6-169.7-53.8-75000110.5W592 Q593F590-W592 VanDerWaalsContact C-N 3.3Å; F590-W592 VanDerWaalsContact CB-CD1 3.47Å; F590-W592 HydrophobicContact CB-CD2 4.45Å; F590-W592 HydrophobicContact CB-CG 4.19Å; F590-W592 HydrophobicContact CD2-CZ2 4.01Å; F590-W592 AromaticContact CD2-NE1 3.82Å; F590-W592 AromaticContact CG-NE1 3.59Å; F590-W592 PolarHBondContact O-N 3.28Å; F590-Q593 HydrophobicContact CB-CG 4.45Å; F590-Q593 WeakPolarHBondContact O-CB 3.44Å; F590-Q593 PolarHBondContact O-N 3.17Å
591A68.1Low80.1Confident54 Ų5453.5 Ų53.545%0.44626%0.264SS..G310 helixtrans-55.8-41.4-17800000112.9Q593 G594A591-Q593 PolarHBondContact O-N 2.79Å; A591-G594 PolarHBondContact O-N 2.91Å
592W68.3Low80.3Confident135 Ų13556.5 Ų56.551%0.51128%0.281SS..G310 helixtrans-58.3-18.6175.966.3-101.7000114.8R119 F590R119-W592 PolarHBondContact NH1-O 3.13Å; F590-W592 VanDerWaalsContact C-N 3.3Å; F590-W592 VanDerWaalsContact CB-CD1 3.47Å; F590-W592 HydrophobicContact CB-CD2 4.45Å; F590-W592 HydrophobicContact CB-CG 4.19Å; F590-W592 HydrophobicContact CD2-CZ2 4.01Å; F590-W592 AromaticContact CD2-NE1 3.82Å; F590-W592 AromaticContact CG-NE1 3.59Å; F590-W592 PolarHBondContact O-N 3.28Å
593Q67.9Low80.5Confident59 Ų5951.6 Ų51.628%0.27627%0.269SS..G310 helixtrans-91.3-14.3174.9-59.7-170.9-41.800113.8R341 K588 F590 A591R341-Q593 PolarHBondContact NH1-O 3.08Å; K588-Q593 HydrophobicContact CB-CB 3.44Å; K588-Q593 VanDerWaalsContact CB-CB 3.44Å; K588-Q593 HydrophobicContact CB-CG 4.42Å; K588-Q593 HydrophobicContact CG-CB 3.8Å; F590-Q593 HydrophobicContact CB-CG 4.45Å; F590-Q593 WeakPolarHBondContact O-CB 3.44Å; F590-Q593 PolarHBondContact O-N 3.17Å; A591-Q593 PolarHBondContact O-N 2.79Å
594G75.5Confident80.8Confident1 Ų155.7 Ų55.71%0.0129%0.285CS..SBendtrans-67.3-169.2-178.400000114R341 D584 A591R341-G594 PolarHBondContact NH1-O 2.85Å; R341-G594 PolarHBondContact NH2-O 3.04Å; D584-G594 CarbonylContact O-C 3.58Å; D584-G594 WeakPolarHBondContact O-CA 3.37Å; A591-G594 PolarHBondContact O-N 2.91Å
595V84.4Confident81.4Confident14 Ų1458.2 Ų58.29%0.08529%0.293CS..EExtended strand (participates in β ladder)trans-119117.5176.3-175.60000107.3H515 Y516 V583 D584 L597H515-V595 HydrophobicContact CB-CG1 3.94Å; Y516-V595 HydrophobicContact CE1-CG2 4.41Å; V583-V595 CarbonylContact C-O 3.6Å; V583-V595 WeakPolarHBondContact CA-O 3.49Å; D584-V595 PolarHBondContact N-O 3.12Å; D584-V595 PolarHBondContact O-N 3.2Å; V595-L597 HydrophobicContact CG1-CD2 3.99Å
596A88.7Confident82.4Confident4 Ų455.4 Ų55.43%0.03328%0.278CS..EExtended strand (participates in β ladder)trans-74.9121.8172.400000108.7R119 F581 L598R119-A596 HydrophobicContact CG-CB 4.22Å; F581-A596 HydrophobicContact CD2-CB 3.98Å; F581-A596 HydrophobicContact CE2-CB 3.75Å; A596-L598 VanDerWaalsContact C-N 3.32Å; A596-L598 HydrophobicContact CB-CD1 4.43Å; A596-L598 HydrophobicContact CB-CG 4.36Å; A596-L598 PolarHBondContact O-N 3.47Å; A596-L598 VanDerWaalsContact O-N 3.17Å
597L91.4Very high83.5Confident52 Ų5257.7 Ų57.727%0.27229%0.286SS..  trans-9172.3-178.6-57.3-178.7000109.7H515 Y516 K582 D584 V595H515-L597 HydrophobicContact CB-CD2 4.06Å; Y516-L597 HydrophobicContact CE2-CD2 4.11Å; Y516-L597 WeakPolarHBondContact OH-CD2 3.19Å; K582-L597 HydrophobicContact CB-CD1 4.33Å; K582-L597 HydrophobicContact CD-CD1 4.29Å; K582-L597 HydrophobicContact CG-CD1 4.3Å; K582-L597 WeakPolarHBondContact O-CB 3.44Å; K582-L597 PolarHBondContact O-N 3.35Å; D584-L597 HydrophobicContact CB-CD1 4.33Å; V595-L597 HydrophobicContact CG1-CD2 3.99Å
598L93.8Very high85.1Confident8 Ų861.7 Ų61.74%0.04230%0.297CS..PPolyproline II helixtrans-92.1143.2174.2-63.2169.3000110.3R114 F118 H515 P578 F581 A596R114-L598 HydrophobicContact CG-CD1 4.22Å; F118-L598 HydrophobicContact CB-CD1 3.78Å; F118-L598 HydrophobicContact CB-CD2 4.34Å; F118-L598 HydrophobicContact CD1-CD1 4.25Å; F118-L598 HydrophobicContact CD1-CD2 3.61Å; F118-L598 HydrophobicContact CD2-CD1 4Å; F118-L598 HydrophobicContact CE1-CD2 4.03Å; F118-L598 HydrophobicContact CG-CD1 3.75Å; F118-L598 HydrophobicContact CG-CD2 3.99Å; H515-L598 PolarHBondContact CE1-O 3Å; H515-L598 PolarHBondContact NE2-O 2.75Å; P578-L598 HydrophobicContact CG-CD2 4.18Å; F581-L598 HydrophobicContact CB-CD2 3.78Å; F581-L598 HydrophobicContact CD1-CD2 3.89Å; F581-L598 HydrophobicContact CD2-CD2 4.06Å; F581-L598 HydrophobicContact CD2-CG 4.44Å; F581-L598 HydrophobicContact CG-CD2 3.62Å; F581-L598 HydrophobicContact CG-CG 4.46Å; A596-L598 VanDerWaalsContact C-N 3.32Å; A596-L598 HydrophobicContact CB-CD1 4.43Å; A596-L598 HydrophobicContact CB-CG 4.36Å; A596-L598 PolarHBondContact O-N 3.47Å; A596-L598 VanDerWaalsContact O-N 3.17Å
599P94.7Very high86.6Confident52 Ų5259.3 Ų59.334%0.33829%0.288SS..PPolyproline II helixtrans-65.8135.6172.427.3-32.2000109.8R114 D575 V601R114-P599 VanDerWaalsContact CZ-O 3.23Å; R114-P599 PolarHBondContact NH1-O 3.23Å; R114-P599 PolarHBondContact NH2-O 3.33Å; D575-P599 VanDerWaalsContact O-CG 3.28Å; D575-P599 WeakPolarHBondContact O-CG 3.34Å; P599-V601 PolarHBondContact O-N 3.33Å
600F95.1Very high88.2Confident60 Ų6052.1 Ų52.126%0.26326%0.261SS..PPolyproline II helixtrans-65.8134.3174.2-64.2-74.2000109.9F511 P513 H515 D602F511-F600 HydrophobicContact CD2-CD1 4.27Å; F511-F600 HydrophobicContact CD2-CE1 4.44Å; F511-F600 HydrophobicContact CE2-CB 4.29Å; F511-F600 AromaticContact CE2-CD1 3.92Å; F511-F600 HydrophobicContact CE2-CD1 3.92Å; F511-F600 HydrophobicContact CE2-CE1 4.39Å; F511-F600 HydrophobicContact CE2-CG 4.03Å; P513-F600 WeakPolarHBondContact O-CE2 3.23Å; H515-F600 AromaticContact CE1-CE2 3.57Å; H515-F600 AromaticContact CE1-CZ 3.97Å; H515-F600 AromaticContact ND1-CE2 3.96Å; H515-F600 AromaticContact NE2-CE2 3.91Å; H515-F600 AromaticContact NE2-CZ 3.9Å; F600-D602 PolarHBondContact O-N 2.83Å
601V96.2Very high89.7Confident5 Ų552.7 Ų52.73%0.0327%0.271CS..PPolyproline II helixtrans-67.8128.2176155.90000108.9R107 F576 P599 A603 L606R107-V601 PolarHBondContact NH2-O 3.4Å; F576-V601 HydrophobicContact CB-CG2 3.92Å; F576-V601 HydrophobicContact CD1-CG2 4.16Å; F576-V601 HydrophobicContact CD2-CB 4.27Å; F576-V601 HydrophobicContact CD2-CG1 4.13Å; F576-V601 HydrophobicContact CD2-CG2 3.68Å; F576-V601 HydrophobicContact CE2-CB 4.32Å; F576-V601 HydrophobicContact CE2-CG1 3.88Å; F576-V601 HydrophobicContact CE2-CG2 4.23Å; F576-V601 HydrophobicContact CG-CB 4.42Å; F576-V601 HydrophobicContact CG-CG2 3.67Å; F576-V601 HydrophobicContact CZ-CB 4.49Å; F576-V601 HydrophobicContact CZ-CG1 4.28Å; P599-V601 PolarHBondContact O-N 3.33Å; V601-A603 PolarHBondContact O-N 2.87Å; V601-L606 HydrophobicContact CG1-CB 4.16Å; V601-L606 HydrophobicContact CG1-CD2 3.92Å
602D96.7Very high91Very high80 Ų8053.9 Ų53.943%0.42828%0.277SS..PPolyproline II helixtrans-72.9117.8164.7-171.5-47.1000108.8F576 F600 Q604 R605 L606F576-D602 HydrophobicContact CE1-CB 4.3Å; F576-D602 HydrophobicContact CZ-CB 3.82Å; F600-D602 PolarHBondContact O-N 2.83Å; D602-Q604 WeakPolarHBondContact OD1-CA 3.36Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.35Å; D602-Q604 PolarHBondContact OD1-N 2.77Å; D602-R605 HydrophobicContact CB-CB 3.93Å; D602-R605 PolarHBondContact OD1-N 2.86Å; D602-L606 VanDerWaalsContact O-CB 3.29Å; D602-L606 WeakPolarHBondContact O-CB 3.32Å; D602-L606 PolarHBondContact O-N 2.88Å
603A92.7Very high92.3Very high50 Ų5048 Ų4841%0.41326%0.256SS..Hα-helixtrans-73.7-27.3-175.800000113V601 K607V601-A603 PolarHBondContact O-N 2.87Å; A603-K607 WeakPolarHBondContact O-CB 3.45Å; A603-K607 VanDerWaalsContact O-CG 3.31Å; A603-K607 WeakPolarHBondContact O-CG 3.4Å; A603-K607 PolarHBondContact O-N 2.94Å
604Q94.6Very high93.7Very high129 Ų12948.5 Ų48.560%0.60326%0.255SS*.Hα-helixtrans-75-51.5175.3175.7172.7-11.800109.5D602 L606 K607 E608D602-Q604 WeakPolarHBondContact OD1-CA 3.36Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.35Å; D602-Q604 PolarHBondContact OD1-N 2.77Å; Q604-L606 VanDerWaalsContact C-N 3.26Å; Q604-L606 PolarHBondContact O-N 2.84Å; Q604-K607 PolarHBondContact O-N 3.02Å; Q604-E608 HydrophobicContact CG-CG 4.32Å; Q604-E608 WeakPolarHBondContact CG-OE1 3.39Å; Q604-E608 PolarHBondContact NE2-OE1 3.12Å; Q604-E608 WeakPolarHBondContact O-CG 3.25Å; Q604-E608 PolarHBondContact O-N 2.56Å
605R97.4Very high94.7Very high79 Ų7952.7 Ų52.730%0.29828%0.283SS..Hα-helixtrans-60.9-35.2179.3-158.2179.175.5-164.62.3112.6P572 D575 D602 T609P572-R605 PolarHBondContact O-NE 3.27Å; D575-R605 IonicContact OD1-CZ 2.64Å; D575-R605 IonicContact OD1-NH2 2.72Å; D575-R605 PolarHBondContact OD1-NH2 3.31Å; D575-R605 IonicContact OD2-CZ 2.7Å; D575-R605 IonicContact OD2-NH1 3.2Å; D575-R605 PolarHBondContact OD2-NH1 3.02Å; D575-R605 IonicContact OD2-NH2 3.98Å; D575-R605 PolarHBondContact OD2-NH2 2.87Å; D602-R605 HydrophobicContact CB-CB 3.93Å; D602-R605 PolarHBondContact OD1-N 2.86Å; R605-T609 WeakPolarHBondContact O-CB 3.43Å; R605-T609 PolarHBondContact O-N 3.16Å; R605-T609 VanDerWaalsContact O-N 3.16Å; R605-T609 PolarHBondContact O-OG1 3.5Å
606L96.9Very high95.2Very high3 Ų356.4 Ų56.42%0.01630%0.302CS..Hα-helixtrans-61.3-52.8171.4179.461.9000111.3M547 S548 I573 F576 V601 D602 Q604 E608 T609 L610M547-L606 HydrophobicContact CB-CD1 4.05Å; M547-L606 HydrophobicContact CB-CD2 4.24Å; S548-L606 VanDerWaalsContact OG-CD2 3.27Å; S548-L606 WeakPolarHBondContact OG-CD2 3.24Å; I573-L606 HydrophobicContact CD1-CD1 3.64Å; F576-L606 HydrophobicContact CE2-CB 4.29Å; V601-L606 HydrophobicContact CG1-CB 4.16Å; V601-L606 HydrophobicContact CG1-CD2 3.92Å; D602-L606 VanDerWaalsContact O-CB 3.29Å; D602-L606 WeakPolarHBondContact O-CB 3.32Å; D602-L606 PolarHBondContact O-N 2.88Å; Q604-L606 VanDerWaalsContact C-N 3.26Å; Q604-L606 PolarHBondContact O-N 2.84Å; L606-E608 PolarHBondContact O-N 3.12Å; L606-T609 PolarHBondContact O-N 2.96Å; L606-L610 HydrophobicContact CD1-CD1 3.81Å; L606-L610 HydrophobicContact CD1-CG 4.06Å; L606-L610 HydrophobicContact CD2-CD1 4.46Å; L606-L610 HydrophobicContact CG-CD1 3.8Å; L606-L610 HydrophobicContact CG-CG 4.4Å; L606-L610 VanDerWaalsContact O-CG 3.31Å; L606-L610 WeakPolarHBondContact O-CG 3.45Å; L606-L610 PolarHBondContact O-N 2.66Å
607K95Very high95.6Very high94 Ų9456.5 Ų56.541%0.40930%0.302SS..Hα-helixtrans-59.1-47.7-179.3-79.5175.5170.9-1780112.4E544 A603 Q604 T609 L610 V611E544-K607 WeakPolarHBondContact OE2-CE 3.37Å; E544-K607 IonicContact OE2-NZ 2.72Å; A603-K607 WeakPolarHBondContact O-CB 3.45Å; A603-K607 VanDerWaalsContact O-CG 3.31Å; A603-K607 WeakPolarHBondContact O-CG 3.4Å; A603-K607 PolarHBondContact O-N 2.94Å; Q604-K607 PolarHBondContact O-N 3.02Å; K607-T609 VanDerWaalsContact C-N 3.28Å; K607-T609 PolarHBondContact O-N 3.34Å; K607-L610 PolarHBondContact O-N 3Å; K607-L610 VanDerWaalsContact O-N 3.12Å; K607-V611 WeakPolarHBondContact O-CG2 3.12Å; K607-V611 PolarHBondContact O-N 3.03Å
608E96.6Very high95.8Very high112 Ų11256.3 Ų56.352%0.52331%0.305SS..Hα-helixtrans-56.8-41.4177.4-71.4168.717400111.9Q604 L606Q604-E608 HydrophobicContact CG-CG 4.32Å; Q604-E608 WeakPolarHBondContact CG-OE1 3.39Å; Q604-E608 PolarHBondContact NE2-OE1 3.12Å; Q604-E608 WeakPolarHBondContact O-CG 3.25Å; Q604-E608 PolarHBondContact O-N 2.56Å; L606-E608 PolarHBondContact O-N 3.12Å
609T96.9Very high95.9Very high14 Ų1459.8 Ų59.89%0.08634%0.335CS..Hα-helixtrans-66.3-42.6176.2-54.20000111.7L565 P572 I573 R605 L606 K607 V611 S612L565-T609 HydrophobicContact CD1-CG2 4.2Å; L565-T609 HydrophobicContact CD2-CG2 4.2Å; P572-T609 HydrophobicContact CB-CG2 4.32Å; P572-T609 HydrophobicContact CG-CG2 4.16Å; I573-T609 HydrophobicContact CD1-CG2 4.18Å; I573-T609 HydrophobicContact CG1-CG2 4.22Å; I573-T609 HydrophobicContact CG2-CG2 4.39Å; I573-T609 WeakPolarHBondContact CG2-OG1 3.48Å; R605-T609 WeakPolarHBondContact O-CB 3.43Å; R605-T609 PolarHBondContact O-N 3.16Å; R605-T609 VanDerWaalsContact O-N 3.16Å; R605-T609 PolarHBondContact O-OG1 3.5Å; L606-T609 PolarHBondContact O-N 2.96Å; K607-T609 VanDerWaalsContact C-N 3.28Å; K607-T609 PolarHBondContact O-N 3.34Å; T609-V611 VanDerWaalsContact C-N 3.29Å; T609-V611 PolarHBondContact O-N 2.93Å; T609-S612 PolarHBondContact O-N 3.4Å; T609-S612 PolarHBondContact O-OG 3.14Å
610L96.9Very high96Very high0 Ų062.5 Ų62.50%034%0.343CS..Hα-helixtrans-70-20.1-175.4-70175.1000114.2E544 M547 W562 L565 L606 K607 S612 V613 Y614E544-L610 HydrophobicContact CB-CD1 4.49Å; E544-L610 HydrophobicContact CG-CD1 3.8Å; M547-L610 HydrophobicContact CE-CD2 4.24Å; M547-L610 HydrophobicContact CG-CD1 4.38Å; M547-L610 HydrophobicContact CG-CD2 4.24Å; W562-L610 HydrophobicContact CD2-CD2 3.95Å; W562-L610 HydrophobicContact CE3-CD1 4.35Å; W562-L610 HydrophobicContact CE3-CD2 3.59Å; W562-L610 HydrophobicContact CH2-CB 4.36Å; W562-L610 HydrophobicContact CH2-CD1 4.03Å; W562-L610 HydrophobicContact CH2-CD2 4.1Å; W562-L610 HydrophobicContact CH2-CG 4.4Å; W562-L610 HydrophobicContact CZ2-CD2 4.43Å; W562-L610 HydrophobicContact CZ3-CD1 3.64Å; W562-L610 HydrophobicContact CZ3-CD2 3.67Å; W562-L610 HydrophobicContact CZ3-CG 4.18Å; L565-L610 HydrophobicContact CD1-CD2 3.93Å; L606-L610 HydrophobicContact CD1-CD1 3.81Å; L606-L610 HydrophobicContact CD1-CG 4.06Å; L606-L610 HydrophobicContact CD2-CD1 4.46Å; L606-L610 HydrophobicContact CG-CD1 3.8Å; L606-L610 HydrophobicContact CG-CG 4.4Å; L606-L610 VanDerWaalsContact O-CG 3.31Å; L606-L610 WeakPolarHBondContact O-CG 3.45Å; L606-L610 PolarHBondContact O-N 2.66Å; K607-L610 PolarHBondContact O-N 3Å; K607-L610 VanDerWaalsContact O-N 3.12Å; L610-S612 PolarHBondContact O-N 3.32Å; L610-S612 VanDerWaalsContact O-N 3.09Å; L610-V613 HydrophobicContact CD2-CG2 3.83Å; L610-V613 WeakPolarHBondContact O-CG2 3.48Å; L610-V613 PolarHBondContact O-N 2.96Å; L610-Y614 HydrophobicContact CB-CD2 4.25Å; L610-Y614 HydrophobicContact CB-CE2 4.15Å; L610-Y614 VanDerWaalsContact O-CD2 3.3Å; L610-Y614 WeakPolarHBondContact O-CD2 3.39Å; L610-Y614 PolarHBondContact O-N 2.72Å
611V96.2Very high96.1Very high101 Ų10160.9 Ų60.961%0.61234%0.336SS*.THydrogen-bonded Turntrans-50.8-34.8172.51780000111.7K607 T609 V613K607-V611 WeakPolarHBondContact O-CG2 3.12Å; K607-V611 PolarHBondContact O-N 3.03Å; T609-V611 VanDerWaalsContact C-N 3.29Å; T609-V611 PolarHBondContact O-N 2.93Å; V611-V613 PolarHBondContact O-N 2.94Å
612S94.8Very high96.1Very high80 Ų8067.1 Ų67.156%0.55936%0.359SS*.THydrogen-bonded Turntrans-68.1-27.6-179.664.30000114.9T609 L610T609-S612 PolarHBondContact O-N 3.4Å; T609-S612 PolarHBondContact O-OG 3.14Å; L610-S612 PolarHBondContact O-N 3.32Å; L610-S612 VanDerWaalsContact O-N 3.09Å
613V96Very high96Very high12 Ų1269.4 Ų69.47%0.07337%0.365CS..THydrogen-bonded Turntrans-114-1.3-174-66.70000113.6W562 L565 L610 V611 P615 D616W562-V613 HydrophobicContact CD2-CG2 4.08Å; W562-V613 HydrophobicContact CG-CB 4.48Å; W562-V613 HydrophobicContact CG-CG2 3.98Å; W562-V613 HydrophobicContact CZ2-CG2 4.35Å; W562-V613 PolarHBondContact NE1-O 2.96Å; L565-V613 HydrophobicContact CD1-CG1 4.29Å; L565-V613 HydrophobicContact CD1-CG2 3.88Å; L610-V613 HydrophobicContact CD2-CG2 3.83Å; L610-V613 WeakPolarHBondContact O-CG2 3.48Å; L610-V613 PolarHBondContact O-N 2.96Å; V611-V613 PolarHBondContact O-N 2.94Å; V613-P615 VanDerWaalsContact C-CD 3.48Å; V613-D616 PolarHBondContact O-N 2.73Å
614Y96.4Very high96.2Very high68 Ų6868.5 Ų68.527%0.26735%0.351SS..SBendtrans-61.4-35.3171.2-102.1-66.2000114.7E544 W562 L610 D616 L617E544-Y614 PolarHBondContact OE1-OH 2.87Å; W562-Y614 HydrophobicContact CH2-CD1 4.43Å; W562-Y614 HydrophobicContact CH2-CD2 4.44Å; W562-Y614 HydrophobicContact CH2-CE1 4.04Å; W562-Y614 HydrophobicContact CH2-CE2 4.06Å; W562-Y614 AromaticContact CH2-CZ 3.85Å; W562-Y614 AromaticContact CZ2-CD1 4Å; W562-Y614 HydrophobicContact CZ2-CD1 4Å; W562-Y614 HydrophobicContact CZ2-CD2 4.26Å; W562-Y614 HydrophobicContact CZ2-CE1 4.06Å; W562-Y614 HydrophobicContact CZ2-CE2 4.33Å; W562-Y614 HydrophobicContact CZ2-CG 4.1Å; L610-Y614 HydrophobicContact CB-CD2 4.25Å; L610-Y614 HydrophobicContact CB-CE2 4.15Å; L610-Y614 VanDerWaalsContact O-CD2 3.3Å; L610-Y614 WeakPolarHBondContact O-CD2 3.39Å; L610-Y614 PolarHBondContact O-N 2.72Å; Y614-D616 VanDerWaalsContact C-N 3.32Å; Y614-D616 PolarHBondContact O-N 2.81Å; Y614-L617 HydrophobicContact CD1-CD1 3.97Å; Y614-L617 HydrophobicContact CE1-CD1 4.34Å; Y614-L617 WeakPolarHBondContact O-CG 3.48Å
615P96.8Very high96.3Very high90 Ų9063.4 Ų63.458%0.58433%0.328SS*.THydrogen-bonded Turntrans-62.5-36.4175.6-26.336.9000113.7V613 L617 R622V613-P615 VanDerWaalsContact C-CD 3.48Å; P615-L617 PolarHBondContact O-N 2.63Å; P615-L617 VanDerWaalsContact O-N 3.11Å; P615-R622 PolarHBondContact O-NH1 3.35Å
616D95.5Very high96.2Very high92 Ų9262.4 Ų62.449%0.49233%0.333SS..THydrogen-bonded Turntrans-62.7-19.4-173.2-55.2-17.9000114.3S561 V613 Y614 S618S561-D616 WeakPolarHBondContact CB-OD2 3.43Å; S561-D616 PolarHBondContact OG-OD2 3.13Å; V613-D616 PolarHBondContact O-N 2.73Å; Y614-D616 VanDerWaalsContact C-N 3.32Å; Y614-D616 PolarHBondContact O-N 2.81Å; D616-S618 PolarHBondContact O-N 3.28Å
617L96.3Very high96.1Very high5 Ų567.7 Ų67.73%0.02636%0.358CS..  trans-57.1134.6-176.3-59.9-174.3000111.2F543 P559 W562 Y614 P615 E621 R622F543-L617 HydrophobicContact CD2-CD1 4.46Å; F543-L617 HydrophobicContact CD2-CD2 3.97Å; F543-L617 HydrophobicContact CE2-CD2 3.81Å; P559-L617 HydrophobicContact CB-CD2 4.08Å; P559-L617 HydrophobicContact CG-CD2 3.49Å; P559-L617 VanDerWaalsContact CG-CD2 3.49Å; W562-L617 HydrophobicContact CZ2-CD1 4.38Å; W562-L617 HydrophobicContact CZ2-CD2 4.24Å; Y614-L617 HydrophobicContact CD1-CD1 3.97Å; Y614-L617 HydrophobicContact CE1-CD1 4.34Å; Y614-L617 WeakPolarHBondContact O-CG 3.48Å; P615-L617 PolarHBondContact O-N 2.63Å; P615-L617 VanDerWaalsContact O-N 3.11Å; L617-E621 HydrophobicContact CB-CB 4.14Å; L617-E621 HydrophobicContact CD2-CB 4.26Å; L617-R622 HydrophobicContact CB-CG 3.89Å; L617-R622 HydrophobicContact CD1-CG 4.29Å; L617-R622 PolarHBondContact O-NH1 3.34Å; L617-R622 PolarHBondContact O-NH2 3.47Å
618S96.4Very high96Very high49 Ų4964.4 Ų64.434%0.34335%0.351SS..  trans-68.3170.5166.764.20000112D616 E620 E621 R622D616-S618 PolarHBondContact O-N 3.28Å; S618-E620 VanDerWaalsContact C-N 3.31Å; S618-E620 PolarHBondContact O-N 2.86Å; S618-E621 VanDerWaalsContact CB-OE2 3.26Å; S618-E621 WeakPolarHBondContact CB-OE2 3.4Å; S618-E621 PolarHBondContact N-OE2 3.41Å; S618-E621 PolarHBondContact O-N 3.02Å; S618-E621 WeakPolarHBondContact OG-CB 3.36Å; S618-E621 VanDerWaalsContact OG-CD 3.26Å; S618-E621 VanDerWaalsContact OG-CG 3.29Å; S618-E621 WeakPolarHBondContact OG-CG 3.34Å; S618-E621 PolarHBondContact OG-N 3.14Å; S618-E621 PolarHBondContact OG-OE2 3.35Å; S618-R622 PolarHBondContact O-N 2.99Å
619A96.4Very high95.8Very high81 Ų8162.3 Ų62.367%0.66934%0.343SS*.Hα-helixtrans-63.5-36.8175.100000112.5K623A619-K623 PolarHBondContact O-N 2.91Å; A619-K623 VanDerWaalsContact O-N 3.08Å
620E95.4Very high95.7Very high109 Ų10962.1 Ų62.151%0.50934%0.341SS..Hα-helixtrans-67.4-42.4175.5-168.5-146.8113.300111.4S618 K623 R624S618-E620 VanDerWaalsContact C-N 3.31Å; S618-E620 PolarHBondContact O-N 2.86Å; E620-K623 WeakPolarHBondContact O-CB 3.33Å; E620-K623 PolarHBondContact O-N 3.47Å; E620-K623 VanDerWaalsContact O-N 3.16Å; E620-R624 PolarHBondContact O-N 2.93Å; E620-R624 IonicContact OE1-CZ 2.7Å; E620-R624 IonicContact OE1-NE 3.44Å; E620-R624 PolarHBondContact OE1-NE 3.35Å; E620-R624 IonicContact OE1-NH2 3.22Å; E620-R624 PolarHBondContact OE1-NH2 3.4Å
621E97.2Very high95.5Very high26 Ų2662.7 Ų62.712%0.12135%0.345CS..Hα-helixtrans-64.9-40.6175.8-78163.1144.900112.5F543 P559 L617 S618 K623 R624 N625F543-E621 HydrophobicContact CE2-CB 3.79Å; F543-E621 HydrophobicContact CE2-CG 4.04Å; F543-E621 HydrophobicContact CZ-CB 3.87Å; F543-E621 HydrophobicContact CZ-CG 3.99Å; F543-E621 WeakPolarHBondContact CZ-O 3.26Å; P559-E621 WeakPolarHBondContact CA-OE1 3.4Å; P559-E621 WeakPolarHBondContact CB-OE1 3.24Å; P559-E621 HydrophobicContact CG-CG 4.4Å; P559-E621 WeakPolarHBondContact CG-OE1 3.49Å; L617-E621 HydrophobicContact CB-CB 4.14Å; L617-E621 HydrophobicContact CD2-CB 4.26Å; S618-E621 VanDerWaalsContact CB-OE2 3.26Å; S618-E621 WeakPolarHBondContact CB-OE2 3.4Å; S618-E621 PolarHBondContact N-OE2 3.41Å; S618-E621 PolarHBondContact O-N 3.02Å; S618-E621 WeakPolarHBondContact OG-CB 3.36Å; S618-E621 VanDerWaalsContact OG-CD 3.26Å; S618-E621 VanDerWaalsContact OG-CG 3.29Å; S618-E621 WeakPolarHBondContact OG-CG 3.34Å; S618-E621 PolarHBondContact OG-N 3.14Å; S618-E621 PolarHBondContact OG-OE2 3.35Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 3.48Å; E621-R624 PolarHBondContact O-N 3.28Å; E621-N625 WeakPolarHBondContact O-CB 3.22Å; E621-N625 PolarHBondContact O-N 3.14Å
622R96.9Very high95.4Very high135 Ų13559.3 Ų59.351%0.50932%0.323SS..Hα-helixtrans-59.5-38.1171.2-78.2-170.6-92.9-88.9-2.8112.1P615 L617 S618 S626P615-R622 PolarHBondContact O-NH1 3.35Å; L617-R622 HydrophobicContact CB-CG 3.89Å; L617-R622 HydrophobicContact CD1-CG 4.29Å; L617-R622 PolarHBondContact O-NH1 3.34Å; L617-R622 PolarHBondContact O-NH2 3.47Å; S618-R622 PolarHBondContact O-N 2.99Å; R622-S626 PolarHBondContact O-N 3.23Å
623K95.4Very high95.3Very high128 Ų12855.7 Ų55.756%0.55730%0.297SS*.Hα-helixtrans-65.2-48.2172.1-176.4-170.3173.2-160.70111.4E172 A619 E620 E621 N625 S626E172-K623 IonicContact OE1-NZ 2.81Å; A619-K623 PolarHBondContact O-N 2.91Å; A619-K623 VanDerWaalsContact O-N 3.08Å; E620-K623 WeakPolarHBondContact O-CB 3.33Å; E620-K623 PolarHBondContact O-N 3.47Å; E620-K623 VanDerWaalsContact O-N 3.16Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 3.48Å; K623-N625 PolarHBondContact O-N 3.48Å; K623-S626 PolarHBondContact O-N 2.9Å; K623-S626 VanDerWaalsContact O-N 3.11Å; K623-S626 PolarHBondContact O-OG 3.27Å
624R96.1Very high95Very high31 Ų3155.1 Ų55.112%0.11729%0.294CS..Hα-helixtrans-64-24.2177.7-74.5-165.8-78.6112.1-5.5114.2G163 F543 E620 E621G163-R624 PolarHBondContact O-NH1 3.14Å; F543-R624 HydrophobicContact CE1-CB 3.93Å; F543-R624 HydrophobicContact CZ-CB 4.12Å; E620-R624 PolarHBondContact O-N 2.93Å; E620-R624 IonicContact OE1-CZ 2.7Å; E620-R624 IonicContact OE1-NE 3.44Å; E620-R624 PolarHBondContact OE1-NE 3.35Å; E620-R624 IonicContact OE1-NH2 3.22Å; E620-R624 PolarHBondContact OE1-NH2 3.4Å; E621-R624 PolarHBondContact O-N 3.28Å
625N97.1Very high94.7Very high23 Ų2352.1 Ų52.112%0.12328%0.283CS..THydrogen-bonded Turntrans-93.48.7176-162.341.3000113.6P541 P542 F543 E621 K623P541-N625 WeakPolarHBondContact CB-OD1 3.46Å; P542-N625 WeakPolarHBondContact CD-OD1 3.31Å; F543-N625 WeakPolarHBondContact CB-OD1 3.45Å; F543-N625 HydrophobicContact CD1-CB 3.92Å; F543-N625 HydrophobicContact CD2-CB 4.22Å; F543-N625 HydrophobicContact CE1-CB 4.05Å; F543-N625 HydrophobicContact CE2-CB 4.36Å; F543-N625 HydrophobicContact CG-CB 4Å; F543-N625 HydrophobicContact CZ-CB 4.27Å; F543-N625 PolarHBondContact N-OD1 3.03Å; E621-N625 WeakPolarHBondContact O-CB 3.22Å; E621-N625 PolarHBondContact O-N 3.14Å; K623-N625 PolarHBondContact O-N 3.48Å
626S95.6Very high94.1Very high58 Ų5851.2 Ų51.241%0.40628%0.279SS..SBendtrans-101.2150.5177.969.20000112.4R622 K623R622-S626 PolarHBondContact O-N 3.23Å; K623-S626 PolarHBondContact O-N 2.9Å; K623-S626 VanDerWaalsContact O-N 3.11Å; K623-S626 PolarHBondContact O-OG 3.27Å
627E94.8Very high93.5Very high114 Ų11448.8 Ų48.853%0.53328%0.275SS..  trans-74.1131.8173.2-65.4-175.7170.200110S199 P201S199-E627 WeakPolarHBondContact O-CA 3.37Å; P201-E627 HydrophobicContact CG-CG 3.98Å
628G92.3Very high93.1Very high25 Ų2549.6 Ų49.626%0.25828%0.279SS..  trans-100.9-163.4175.800000113.4S199S199-G628 PolarHBondContact O-N 3.23Å; S199-G628 WeakPolarHBondContact OG-CA 3.18Å
629N92.6Very high92.6Very high68 Ų6854.9 Ų54.936%0.36430%0.299SS..  trans-133.2153.9-178.9-65.7-91.1000110.4L656 L658N629-L656 HydrophobicContact CB-CD2 4.31Å; N629-L658 WeakPolarHBondContact OD1-CD2 3.28Å
630D94.1Very high92.1Very high9 Ų953.7 Ų53.75%0.04828%0.283CS..EExtended strand (participates in β ladder)trans-59.4143.9167.5-67.6-17.1000109Y98 I194 S196 M657 N659Y98-D630 PolarHBondContact OH-OD2 2.97Å; I194-D630 HydrophobicContact CG2-CB 4.15Å; S196-D630 WeakPolarHBondContact CA-OD1 3.48Å; S196-D630 WeakPolarHBondContact CB-OD1 3.42Å; S196-D630 PolarHBondContact OG-OD1 3.13Å; D630-M657 HydrophobicContact CB-CB 4.13Å; D630-M657 HydrophobicContact CB-SD 4.24Å; D630-M657 PolarHBondContact O-N 2.81Å; D630-N659 PolarHBondContact OD2-ND2 2.94Å
631V93.3Very high91.4Very high12 Ų1249.4 Ų49.47%0.07326%0.263CS..EExtended strand (participates in β ladder)trans-118.8121.3177.8-171.60000109.4I194 L195 F633 L656I194-V631 CarbonylContact C-O 3.55Å; I194-V631 WeakPolarHBondContact CA-O 3.23Å; L195-V631 PolarHBondContact N-O 3.06Å; L195-V631 PolarHBondContact O-N 2.84Å; V631-F633 HydrophobicContact CB-CE2 3.68Å; V631-F633 HydrophobicContact CB-CZ 4Å; V631-F633 HydrophobicContact CG1-CD2 4.2Å; V631-F633 HydrophobicContact CG1-CE1 4.22Å; V631-F633 HydrophobicContact CG1-CE2 3.46Å; V631-F633 VanDerWaalsContact CG1-CE2 3.46Å; V631-F633 HydrophobicContact CG1-CZ 3.44Å; V631-F633 VanDerWaalsContact CG1-CZ 3.44Å; V631-F633 WeakPolarHBondContact O-CD2 3.35Å; V631-F633 WeakPolarHBondContact O-CE2 3.3Å; V631-L656 HydrophobicContact CG2-CD2 4.25Å
632L93.2Very high90.8Very high31 Ų3152.1 Ų52.116%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-89.7133.7173.2169.965.5000109.2A192 V193 I194 V634 I644 S654 C655 M657A192-L632 HydrophobicContact CB-CD1 4.04Å; V193-L632 CarbonylContact O-C 3.6Å; V193-L632 WeakPolarHBondContact O-CA 3.4Å; I194-L632 HydrophobicContact CG1-CD1 3.87Å; L632-V634 HydrophobicContact CD1-CG1 4.15Å; L632-V634 HydrophobicContact CG-CG1 4.35Å; L632-I644 HydrophobicContact CD2-CD1 4.21Å; L632-S654 CarbonylContact O-C 3.5Å; L632-S654 WeakPolarHBondContact O-CA 3.37Å; L632-S654 WeakPolarHBondContact O-CB 3.26Å; L632-C655 PolarHBondContact N-O 3.02Å; L632-C655 PolarHBondContact O-N 2.88Å; L632-M657 HydrophobicContact CB-CB 3.92Å; L632-M657 HydrophobicContact CB-CG 4.26Å
633F92.6Very high90.1Very high3 Ų351.7 Ų51.71%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-121.3141.7172.6-53.7-106.3000109.6R175 I178 L182 V193 L195 V631 Y653 S654R175-F633 HydrophobicContact CB-CZ 4.4Å; R175-F633 HydrophobicContact CG-CZ 3.99Å; I178-F633 HydrophobicContact CD1-CD2 4.25Å; I178-F633 HydrophobicContact CD1-CE2 4.13Å; I178-F633 HydrophobicContact CG2-CB 3.66Å; I178-F633 HydrophobicContact CG2-CD1 3.86Å; I178-F633 HydrophobicContact CG2-CD2 3.9Å; I178-F633 HydrophobicContact CG2-CG 3.54Å; L182-F633 HydrophobicContact CD1-CB 3.55Å; V193-F633 HydrophobicContact CB-CB 4.31Å; V193-F633 PolarHBondContact N-O 3.4Å; V193-F633 PolarHBondContact O-N 3.2Å; L195-F633 HydrophobicContact CB-CE2 3.93Å; V631-F633 HydrophobicContact CB-CE2 3.68Å; V631-F633 HydrophobicContact CB-CZ 4Å; V631-F633 HydrophobicContact CG1-CD2 4.2Å; V631-F633 HydrophobicContact CG1-CE1 4.22Å; V631-F633 HydrophobicContact CG1-CE2 3.46Å; V631-F633 VanDerWaalsContact CG1-CE2 3.46Å; V631-F633 HydrophobicContact CG1-CZ 3.44Å; V631-F633 VanDerWaalsContact CG1-CZ 3.44Å; V631-F633 WeakPolarHBondContact O-CD2 3.35Å; V631-F633 WeakPolarHBondContact O-CE2 3.3Å; F633-Y653 VanDerWaalsContact CA-O 3.24Å; F633-Y653 WeakPolarHBondContact CA-O 3.43Å; F633-S654 VanDerWaalsContact CD1-CB 3.4Å
634V91.6Very high89.3Confident1 Ų146 Ų461%0.00626%0.262CS..  trans-142.6151.1173.7-60.30000110.2A192 L632 H638 H641 I644 Y653A192-V634 HydrophobicContact CB-CG1 4.35Å; L632-V634 HydrophobicContact CD1-CG1 4.15Å; L632-V634 HydrophobicContact CG-CG1 4.35Å; V634-H638 HydrophobicContact CB-CB 3.98Å; V634-H641 HydrophobicContact CG2-CB 4.02Å; V634-I644 HydrophobicContact CG1-CD1 4.27Å; V634-I644 HydrophobicContact CG2-CD1 3.64Å; V634-Y653 PolarHBondContact N-O 2.92Å
635S88.7Confident88.4Confident4 Ų449.6 Ų49.63%0.02828%0.279CS..  trans-69.2161.7173.3890000111.3K189 G637 H638 H641K189-S635 WeakPolarHBondContact CG-OG 3.28Å; K189-S635 VanDerWaalsContact O-CB 3.28Å; K189-S635 WeakPolarHBondContact O-CB 3.43Å; K189-S635 PolarHBondContact O-OG 3.39Å; S635-G637 PolarHBondContact O-N 2.63Å; S635-G637 PolarHBondContact OG-N 3.37Å; S635-G637 VanDerWaalsContact OG-N 3.14Å; S635-H638 WeakPolarHBondContact O-CB 3.29Å; S635-H638 PolarHBondContact O-N 2.72Å; S635-H638 VanDerWaalsContact O-N 3.16Å; S635-H638 PolarHBondContact OG-N 2.87Å; S635-H641 WeakPolarHBondContact O-CB 3.24Å
636S84.3Confident87.5Confident71 Ų7153.5 Ų53.550%0.49730%0.303SS..THydrogen-bonded Turntrans-64.3-18174.652.40000114.2H641S636-H641 WeakPolarHBondContact CA-CE1 3.47Å; S636-H641 WeakPolarHBondContact CA-ND1 3.42Å; S636-H641 PolarHBondContact O-CE1 3.45Å; S636-H641 PolarHBondContact O-ND1 2.89Å
637G83.1Confident86.3Confident41 Ų4157.7 Ų57.742%0.42331%0.314SS..THydrogen-bonded Turntrans-92.2-10.5176.900000114.7S635S635-G637 PolarHBondContact O-N 2.63Å; S635-G637 PolarHBondContact OG-N 3.37Å; S635-G637 VanDerWaalsContact OG-N 3.14Å
638H87.7Confident84.8Confident22 Ų2255.4 Ų55.410%0.10230%0.304CS..SBendtrans-71139.7-177.9-178-105.4000111.4V634 S635 V640 H641V634-H638 HydrophobicContact CB-CB 3.98Å; S635-H638 WeakPolarHBondContact O-CB 3.29Å; S635-H638 PolarHBondContact O-N 2.72Å; S635-H638 VanDerWaalsContact O-N 3.16Å; S635-H638 PolarHBondContact OG-N 2.87Å; H638-V640 PolarHBondContact ND1-N 3.01Å; H638-V640 PolarHBondContact O-N 3.01Å; H638-H641 VanDerWaalsContact O-CB 3.22Å; H638-H641 WeakPolarHBondContact O-CB 3.47Å; H638-H641 PolarHBondContact O-N 2.94Å
639Q87Confident82.9Confident161 Ų16165.3 Ų65.375%0.75234%0.335SS*.THydrogen-bonded Turntrans-55-27.2-173.366.1-176.3-18.100115.4S642Q639-S642 PolarHBondContact O-OG 3.33Å
640V84.1Confident80.7Confident55 Ų5571.2 Ų71.233%0.33335%0.353SS..THydrogen-bonded Turntrans-85.9-13.3-179.5-1750000112.7H638 S642 F643 I644H638-V640 PolarHBondContact ND1-N 3.01Å; H638-V640 PolarHBondContact O-N 3.01Å; V640-S642 VanDerWaalsContact C-N 3.31Å; V640-S642 PolarHBondContact O-N 3.09Å; V640-F643 HydrophobicContact CG1-CD1 4.4Å; V640-F643 WeakPolarHBondContact O-CB 3.45Å; V640-F643 PolarHBondContact O-N 3.33Å; V640-I644 HydrophobicContact CG1-CD1 4.05Å; V640-I644 HydrophobicContact CG1-CG1 4.18Å; V640-I644 PolarHBondContact O-N 2.97Å
641H82.6Confident78.5Confident20 Ų2080.5 Ų80.59%0.09339%0.389CS..Hα-helixtrans-62.1-35.1-176.4168.4-119.6000113.2V634 S635 S636 H638 F643 I644 K645V634-H641 HydrophobicContact CG2-CB 4.02Å; S635-H641 WeakPolarHBondContact O-CB 3.24Å; S636-H641 WeakPolarHBondContact CA-CE1 3.47Å; S636-H641 WeakPolarHBondContact CA-ND1 3.42Å; S636-H641 PolarHBondContact O-CE1 3.45Å; S636-H641 PolarHBondContact O-ND1 2.89Å; H638-H641 VanDerWaalsContact O-CB 3.22Å; H638-H641 WeakPolarHBondContact O-CB 3.47Å; H638-H641 PolarHBondContact O-N 2.94Å; H641-F643 VanDerWaalsContact C-N 3.29Å; H641-F643 PolarHBondContact O-N 2.55Å; H641-I644 PolarHBondContact O-N 2.88Å; H641-K645 WeakPolarHBondContact CE1-CE 3.36Å; H641-K645 PolarHBondContact CE1-NZ 2.72Å; H641-K645 VanDerWaalsContact NE2-CE 3.26Å; H641-K645 WeakPolarHBondContact NE2-CE 3.47Å; H641-K645 PolarHBondContact O-N 3.05Å
642S82.6Confident76.4Confident83 Ų8381.7 Ų81.758%0.5840%0.401SS*.Hα-helixtrans-61.2-37.1173.953.80000112.6Q639 V640Q639-S642 PolarHBondContact O-OG 3.33Å; V640-S642 VanDerWaalsContact C-N 3.31Å; V640-S642 PolarHBondContact O-N 3.09Å
643F82.8Confident75.1Confident126 Ų12684.7 Ų84.755%0.55341%0.41SS*.Hα-helixtrans-74-42.3175.3178.8-103.9000111.9V640 H641 K645 T646 F647V640-F643 HydrophobicContact CG1-CD1 4.4Å; V640-F643 WeakPolarHBondContact O-CB 3.45Å; V640-F643 PolarHBondContact O-N 3.33Å; H641-F643 VanDerWaalsContact C-N 3.29Å; H641-F643 PolarHBondContact O-N 2.55Å; F643-K645 VanDerWaalsContact C-N 3.26Å; F643-K645 PolarHBondContact O-N 3.07Å; F643-T646 PolarHBondContact O-N 3.03Å; F643-T646 PolarHBondContact O-OG1 3.45Å; F643-F647 AromaticContact CD1-CE2 3.94Å; F643-F647 HydrophobicContact CD1-CE2 3.94Å; F643-F647 HydrophobicContact CD2-CE2 4.16Å; F643-F647 AromaticContact CE1-CE2 3.56Å; F643-F647 HydrophobicContact CE1-CE2 3.56Å; F643-F647 HydrophobicContact CE1-CZ 4.08Å; F643-F647 AromaticContact CE2-CE2 3.8Å; F643-F647 HydrophobicContact CE2-CE2 3.8Å; F643-F647 AromaticContact CE2-CZ 3.99Å; F643-F647 HydrophobicContact CE2-CZ 3.99Å; F643-F647 HydrophobicContact CG-CE2 4.23Å; F643-F647 AromaticContact CZ-CE2 3.49Å; F643-F647 HydrophobicContact CZ-CE2 3.49Å; F643-F647 VanDerWaalsContact CZ-CE2 3.49Å; F643-F647 AromaticContact CZ-CZ 3.62Å; F643-F647 HydrophobicContact CZ-CZ 3.62Å; F643-F647 VanDerWaalsContact O-CD2 3.24Å; F643-F647 WeakPolarHBondContact O-CD2 3.37Å; F643-F647 WeakPolarHBondContact O-CE2 3.29Å
644I78.6Confident74.4Confident9 Ų986 Ų865%0.04642%0.42CS..Hα-helixtrans-60.3-39.3176.7-70.5165.2000111.1L632 V634 V640 H641 T646 F647 C655L632-I644 HydrophobicContact CD2-CD1 4.21Å; V634-I644 HydrophobicContact CG1-CD1 4.27Å; V634-I644 HydrophobicContact CG2-CD1 3.64Å; V640-I644 HydrophobicContact CG1-CD1 4.05Å; V640-I644 HydrophobicContact CG1-CG1 4.18Å; V640-I644 PolarHBondContact O-N 2.97Å; H641-I644 PolarHBondContact O-N 2.88Å; I644-T646 PolarHBondContact O-N 3.09Å; I644-T646 VanDerWaalsContact O-N 3.12Å; I644-F647 PolarHBondContact O-N 3.29Å; I644-C655 HydrophobicContact CG2-CB 4.15Å
645K77.4Confident73.9Confident106 Ų10687.2 Ų87.246%0.46143%0.429SS..THydrogen-bonded Turntrans-58.3-20.6174.7-84.6-176.7161.5-179.40115.1H641 F643 F647H641-K645 WeakPolarHBondContact CE1-CE 3.36Å; H641-K645 PolarHBondContact CE1-NZ 2.72Å; H641-K645 VanDerWaalsContact NE2-CE 3.26Å; H641-K645 WeakPolarHBondContact NE2-CE 3.47Å; H641-K645 PolarHBondContact O-N 3.05Å; F643-K645 VanDerWaalsContact C-N 3.26Å; F643-K645 PolarHBondContact O-N 3.07Å; K645-F647 VanDerWaalsContact C-N 3.25Å; K645-F647 PolarHBondContact O-N 3.21Å
646T78.2Confident73.6Confident104 Ų10492.8 Ų92.864%0.63846%0.457SS*.THydrogen-bonded Turntrans-77.1-11.4176.368.30000113.4F643 I644F643-T646 PolarHBondContact O-N 3.03Å; F643-T646 PolarHBondContact O-OG1 3.45Å; I644-T646 PolarHBondContact O-N 3.09Å; I644-T646 VanDerWaalsContact O-N 3.12Å
647F69.8Low73.4Confident146 Ų14690.8 Ų90.864%0.6444%0.44SS*.THydrogen-bonded Turntrans-104.3-13.3-178.9-60.8-84.6000114.1F643 I644 K645F643-F647 AromaticContact CD1-CE2 3.94Å; F643-F647 HydrophobicContact CD1-CE2 3.94Å; F643-F647 HydrophobicContact CD2-CE2 4.16Å; F643-F647 AromaticContact CE1-CE2 3.56Å; F643-F647 HydrophobicContact CE1-CE2 3.56Å; F643-F647 HydrophobicContact CE1-CZ 4.08Å; F643-F647 AromaticContact CE2-CE2 3.8Å; F643-F647 HydrophobicContact CE2-CE2 3.8Å; F643-F647 AromaticContact CE2-CZ 3.99Å; F643-F647 HydrophobicContact CE2-CZ 3.99Å; F643-F647 HydrophobicContact CG-CE2 4.23Å; F643-F647 AromaticContact CZ-CE2 3.49Å; F643-F647 HydrophobicContact CZ-CE2 3.49Å; F643-F647 VanDerWaalsContact CZ-CE2 3.49Å; F643-F647 AromaticContact CZ-CZ 3.62Å; F643-F647 HydrophobicContact CZ-CZ 3.62Å; F643-F647 VanDerWaalsContact O-CD2 3.24Å; F643-F647 WeakPolarHBondContact O-CD2 3.37Å; F643-F647 WeakPolarHBondContact O-CE2 3.29Å; I644-F647 PolarHBondContact O-N 3.29Å; K645-F647 VanDerWaalsContact C-N 3.25Å; K645-F647 PolarHBondContact O-N 3.21Å
648Q63.8Low73.4Confident66 Ų6694.8 Ų94.831%0.30845%0.452SS..  trans-131.7126.7-173.5-73.1177.3-24.500111.6Y650 S654Q648-Y650 PolarHBondContact O-N 2.6Å; Q648-Y650 VanDerWaalsContact O-N 3.17Å; Q648-S654 PolarHBondContact NE2-O 2.94Å; Q648-S654 PolarHBondContact OE1-O 3.42Å; Q648-S654 VanDerWaalsContact OE1-O 3.13Å
649Y52.6Low73.1Confident234 Ų23495 Ų9592%0.91845%0.453SS*.SBendtrans-72.92.1178.4-102.2-91.4000114.8
650Y45.8Very low72.9Confident191 Ų19189.5 Ų89.575%0.74943%0.432SS*.SBendtrans-130.9157.6-173.4-70.8-82.2000111.7Q648 A652Q648-Y650 PolarHBondContact O-N 2.6Å; Q648-Y650 VanDerWaalsContact O-N 3.17Å; Y650-A652 PolarHBondContact O-N 3.28Å
651Y48.6Very low72.9Confident204 Ų20493.7 Ų93.780%0.845%0.448SS*.  trans-67.431.6-178-66.9-94000114.9Y653Y651-Y653 PolarHBondContact O-N 3.08Å
652A50.4Low73.2Confident38 Ų3895.5 Ų95.531%0.31445%0.454SS..  trans-72.9129.2-177.800000111.2Y650 S654Y650-A652 PolarHBondContact O-N 3.28Å; A652-S654 PolarHBondContact O-N 2.75Å
653Y65.4Low73.5Confident93 Ų9396.3 Ų96.337%0.36546%0.457SS..SBendtrans-76.610.1171.8-65.2-87.5000112.6F633 V634 Y651F633-Y653 VanDerWaalsContact CA-O 3.24Å; F633-Y653 WeakPolarHBondContact CA-O 3.43Å; V634-Y653 PolarHBondContact N-O 2.92Å; Y651-Y653 PolarHBondContact O-N 3.08Å
654S76.8Confident73.4Confident31 Ų3198.2 Ų98.222%0.21747%0.465CS..EExtended strand (participates in β ladder)trans-148.1143.8-168.565.70000115.6L632 F633 Q648 A652L632-S654 CarbonylContact O-C 3.5Å; L632-S654 WeakPolarHBondContact O-CA 3.37Å; L632-S654 WeakPolarHBondContact O-CB 3.26Å; F633-S654 VanDerWaalsContact CD1-CB 3.4Å; Q648-S654 PolarHBondContact NE2-O 2.94Å; Q648-S654 PolarHBondContact OE1-O 3.42Å; Q648-S654 VanDerWaalsContact OE1-O 3.13Å; A652-S654 PolarHBondContact O-N 2.75Å
655C80.9Confident73.7Confident27 Ų27101.1 Ų101.118%0.18250%0.497CS..EExtended strand (participates in β ladder)trans-134.8159.317562.90000111.8L632 I644 M657L632-C655 PolarHBondContact N-O 3.02Å; L632-C655 PolarHBondContact O-N 2.88Å; I644-C655 HydrophobicContact CG2-CB 4.15Å; C655-M657 PolarHBondContact O-N 3.47Å
656L82.4Confident74.3Confident121 Ų12199.9 Ų99.963%0.63449%0.492SS*.EExtended strand (participates in β ladder)trans-69.1130.4172.3-58.6-175.5000109.3N629 V631N629-L656 HydrophobicContact CB-CD2 4.31Å; V631-L656 HydrophobicContact CG2-CD2 4.25Å
657M81.6Confident74.9Confident28 Ų2899 Ų9914%0.13848%0.483CS..EExtended strand (participates in β ladder)trans-105.2125.2-179-169.2-99.1171.100109.4I194 F211 D630 L632 C655I194-M657 HydrophobicContact CD1-CE 4.26Å; I194-M657 HydrophobicContact CD1-CG 4.43Å; I194-M657 HydrophobicContact CD1-SD 4.17Å; F211-M657 HydrophobicContact CD2-CE 4.29Å; F211-M657 HydrophobicContact CE2-CE 3.82Å; D630-M657 HydrophobicContact CB-CB 4.13Å; D630-M657 HydrophobicContact CB-SD 4.24Å; D630-M657 PolarHBondContact O-N 2.81Å; L632-M657 HydrophobicContact CB-CB 3.92Å; L632-M657 HydrophobicContact CB-CG 4.26Å; C655-M657 PolarHBondContact O-N 3.47Å
658L81.5Confident76Confident126 Ų12692.9 Ų92.966%0.6646%0.456SS*.  trans-110.5124.9172.5-64.1178.5000108.5N629N629-L658 WeakPolarHBondContact OD1-CD2 3.28Å
659N81.8Confident77Confident26 Ų2691.7 Ų91.714%0.13946%0.455CS..PPolyproline II helixtrans-63145.2175.5-74.7-68.5000110.9F211 D630 Q661F211-N659 WeakPolarHBondContact CD2-OD1 3.19Å; D630-N659 PolarHBondContact OD2-ND2 2.94Å; N659-Q661 PolarHBondContact O-N 3.49Å; N659-Q661 PolarHBondContact O-NE2 3.28Å
660P82.8Confident78.6Confident46 Ų4681.1 Ų81.130%0.29942%0.415SS..PPolyproline II helixtrans-53132.3176.8-27.334.8000112R214 Y662R214-P660 WeakPolarHBondContact CD-O 2.99Å; R214-P660 PolarHBondContact NH1-O 2.95Å; P660-Y662 HydrophobicContact CB-CE2 3.93Å
661Q85.5Confident80.7Confident143 Ų14375.7 Ų75.767%0.66840%0.395SS*.PPolyproline II helixtrans-99.5137.2179.4-57.9-56.7-24.600110.3N659N659-Q661 PolarHBondContact O-N 3.49Å; N659-Q661 PolarHBondContact O-NE2 3.28Å
662Y88.1Confident82.7Confident57 Ų5768 Ų6822%0.22437%0.367CS..  trans-115.1152.9-179.3-68.7-88.9000109.8R214 A217 S218 P660 F666 F668R214-Y662 HydrophobicContact CB-CE2 4.19Å; R214-Y662 HydrophobicContact CG-CE2 4.25Å; R214-Y662 PolarHBondContact O-OH 2.92Å; A217-Y662 HydrophobicContact CB-CE1 3.67Å; A217-Y662 HydrophobicContact CB-CE2 4.08Å; A217-Y662 VanDerWaalsContact CB-CZ 3.45Å; A217-Y662 WeakPolarHBondContact CB-OH 3.45Å; A217-Y662 PolarHBondContact O-OH 2.93Å; A217-Y662 VanDerWaalsContact O-OH 3.1Å; S218-Y662 PolarHBondContact N-OH 3.28Å; P660-Y662 HydrophobicContact CB-CE2 3.93Å; Y662-F666 AromaticContact CD1-CD1 3.85Å; Y662-F666 HydrophobicContact CD1-CD1 3.85Å; Y662-F666 HydrophobicContact CD1-CD2 4.15Å; Y662-F666 AromaticContact CD1-CE1 3.74Å; Y662-F666 HydrophobicContact CD1-CE1 3.74Å; Y662-F666 HydrophobicContact CD1-CE2 4.05Å; Y662-F666 HydrophobicContact CD1-CG 4.06Å; Y662-F666 AromaticContact CD1-CZ 3.85Å; Y662-F666 HydrophobicContact CD1-CZ 3.85Å; Y662-F666 HydrophobicContact CE1-CE1 4.19Å; Y662-F666 HydrophobicContact CE1-CZ 4.13Å; Y662-F666 AromaticContact CG-CD1 3.88Å; Y662-F666 HydrophobicContact CG-CD1 3.88Å; Y662-F666 HydrophobicContact CG-CE1 4.12Å; Y662-F666 HydrophobicContact CG-CG 4.2Å; Y662-F668 AromaticContact CD2-CE1 3.88Å; Y662-F668 HydrophobicContact CD2-CE1 3.88Å; Y662-F668 AromaticContact CD2-CZ 3.86Å; Y662-F668 HydrophobicContact CD2-CZ 3.86Å; Y662-F668 HydrophobicContact CE2-CE1 4.04Å; Y662-F668 HydrophobicContact CE2-CZ 4.41Å; Y662-F668 HydrophobicContact CG-CE1 4.37Å; Y662-F668 HydrophobicContact CG-CZ 4.37Å
663P89Confident84.7Confident100 Ų10067.5 Ų67.565%0.64936%0.359SS*.  trans-54.2146.3176.4-26.335.2000112.3G665 F666P663-G665 PolarHBondContact O-N 2.78Å; P663-F666 WeakPolarHBondContact O-CB 3.26Å; P663-F666 PolarHBondContact O-N 3.36Å
664K81.5Confident85.9Confident166 Ų16669.4 Ų69.472%0.72238%0.375SS*.THydrogen-bonded Turntrans-56.9129177.1-173.4177.6177.9-177.10110.1E535E535-K664 VanDerWaalsContact OE1-CE 3.31Å; E535-K664 WeakPolarHBondContact OE1-CE 3.31Å; E535-K664 IonicContact OE1-NZ 2.73Å; E535-K664 WeakPolarHBondContact OE2-CE 3.49Å; E535-K664 IonicContact OE2-NZ 3.88Å; E535-K664 PolarHBondContact OE2-NZ 3.13Å
665G83.7Confident86.6Confident70 Ų7070.7 Ų70.772%0.72239%0.393SS*.THydrogen-bonded Turntrans84.73.4-175.200000115.2P663 L667P663-G665 PolarHBondContact O-N 2.78Å; G665-L667 PolarHBondContact O-N 2.91Å
666F90.2Very high87.1Confident81 Ų8170.2 Ų70.236%0.35539%0.392SS..  trans-57.7125.2168.4-178.1-94.4000110.5A217 Y662 P663 F668A217-F666 HydrophobicContact CB-CE1 3.9Å; A217-F666 HydrophobicContact CB-CZ 4.08Å; Y662-F666 AromaticContact CD1-CD1 3.85Å; Y662-F666 HydrophobicContact CD1-CD1 3.85Å; Y662-F666 HydrophobicContact CD1-CD2 4.15Å; Y662-F666 AromaticContact CD1-CE1 3.74Å; Y662-F666 HydrophobicContact CD1-CE1 3.74Å; Y662-F666 HydrophobicContact CD1-CE2 4.05Å; Y662-F666 HydrophobicContact CD1-CG 4.06Å; Y662-F666 AromaticContact CD1-CZ 3.85Å; Y662-F666 HydrophobicContact CD1-CZ 3.85Å; Y662-F666 HydrophobicContact CE1-CE1 4.19Å; Y662-F666 HydrophobicContact CE1-CZ 4.13Å; Y662-F666 AromaticContact CG-CD1 3.88Å; Y662-F666 HydrophobicContact CG-CD1 3.88Å; Y662-F666 HydrophobicContact CG-CE1 4.12Å; Y662-F666 HydrophobicContact CG-CG 4.2Å; P663-F666 WeakPolarHBondContact O-CB 3.26Å; P663-F666 PolarHBondContact O-N 3.36Å; F666-F668 HydrophobicContact CD1-CD1 4.05Å; F666-F668 HydrophobicContact CD1-CD2 4.45Å; F666-F668 AromaticContact CD1-CE1 3.99Å; F666-F668 HydrophobicContact CD1-CE1 3.99Å; F666-F668 HydrophobicContact CD1-CE2 4.41Å; F666-F668 HydrophobicContact CD1-CG 4.29Å; F666-F668 HydrophobicContact CD1-CZ 4.18Å; F666-F668 AromaticContact CE1-CD1 3.67Å; F666-F668 HydrophobicContact CE1-CD1 3.67Å; F666-F668 AromaticContact CE1-CE1 3.81Å; F666-F668 HydrophobicContact CE1-CE1 3.81Å; F666-F668 HydrophobicContact CE1-CG 4.19Å; F666-F668 HydrophobicContact CE1-CZ 4.46Å
667L91.5Very high87.6Confident84 Ų8471.7 Ų71.744%0.4439%0.393SS..  trans-96.6113.8179.5-69.9175.1000109.6Y375 G665Y375-L667 HydrophobicContact CE2-CD2 3.55Å; G665-L667 PolarHBondContact O-N 2.91Å
668F91.7Very high87.7Confident18 Ų1875.8 Ų75.88%0.07941%0.412CS..  trans-65.8134.2175.4-68-79.3000110.7R213 R214 A217 Q503 Y662 F666 S670R213-F668 VanDerWaalsContact CD-CG 3.47Å; R213-F668 HydrophobicContact CG-CB 3.63Å; R213-F668 HydrophobicContact CG-CD1 3.38Å; R213-F668 HydrophobicContact CG-CD2 3.79Å; R213-F668 HydrophobicContact CG-CE1 3.92Å; R213-F668 HydrophobicContact CG-CE2 4.27Å; R213-F668 HydrophobicContact CG-CG 3.31Å; R213-F668 HydrophobicContact CG-CZ 4.34Å; R213-F668 WeakPolarHBondContact O-CD1 3.5Å; R214-F668 HydrophobicContact CG-CE1 4.22Å; R214-F668 HydrophobicContact CG-CZ 4.06Å; A217-F668 HydrophobicContact CB-CD1 3.86Å; A217-F668 HydrophobicContact CB-CE1 3.86Å; Q503-F668 PolarHBondContact NE2-O 3.12Å; Q503-F668 VanDerWaalsContact NE2-O 3.11Å; Y662-F668 AromaticContact CD2-CE1 3.88Å; Y662-F668 HydrophobicContact CD2-CE1 3.88Å; Y662-F668 AromaticContact CD2-CZ 3.86Å; Y662-F668 HydrophobicContact CD2-CZ 3.86Å; Y662-F668 HydrophobicContact CE2-CE1 4.04Å; Y662-F668 HydrophobicContact CE2-CZ 4.41Å; Y662-F668 HydrophobicContact CG-CE1 4.37Å; Y662-F668 HydrophobicContact CG-CZ 4.37Å; F666-F668 HydrophobicContact CD1-CD1 4.05Å; F666-F668 HydrophobicContact CD1-CD2 4.45Å; F666-F668 AromaticContact CD1-CE1 3.99Å; F666-F668 HydrophobicContact CD1-CE1 3.99Å; F666-F668 HydrophobicContact CD1-CE2 4.41Å; F666-F668 HydrophobicContact CD1-CG 4.29Å; F666-F668 HydrophobicContact CD1-CZ 4.18Å; F666-F668 AromaticContact CE1-CD1 3.67Å; F666-F668 HydrophobicContact CE1-CD1 3.67Å; F666-F668 AromaticContact CE1-CE1 3.81Å; F666-F668 HydrophobicContact CE1-CE1 3.81Å; F666-F668 HydrophobicContact CE1-CG 4.19Å; F666-F668 HydrophobicContact CE1-CZ 4.46Å; F668-S670 PolarHBondContact O-N 3.32Å
669P85.6Confident87.9Confident42 Ų4271.9 Ų71.927%0.27339%0.394SS..  trans-69.7118-174.626.6-33.9000111.6K671 L673P669-K671 HydrophobicContact CB-CG 4.16Å; P669-K671 PolarHBondContact O-N 3.03Å; P669-L673 HydrophobicContact CG-CD2 4.08Å
670S86.3Confident88Confident12 Ų1278.3 Ų78.38%0.08443%0.427CS..  trans-92.654.6172.9-42.50000110.8H244 H373 Y502 F668H244-S670 PolarHBondContact CE1-O 2.72Å; H244-S670 VanDerWaalsContact NE2-C 3.34Å; H244-S670 WeakPolarHBondContact NE2-CA 3.49Å; H244-S670 WeakPolarHBondContact NE2-CB 3.23Å; H244-S670 PolarHBondContact NE2-O 3.16Å; H373-S670 WeakPolarHBondContact CA-OG 3.36Å; Y502-S670 WeakPolarHBondContact CD1-OG 3.27Å; F668-S670 PolarHBondContact O-N 3.32Å
671K89.9Confident88Confident76 Ų7680.8 Ų80.833%0.3345%0.445SS..SBendtrans-141.4162.3176.164.1156.3-169.5160.50109.2R216 H244 P669 D674R216-K671 PolarHBondContact NH2-O 3.25Å; H244-K671 VanDerWaalsContact CB-O 3.3Å; H244-K671 WeakPolarHBondContact CB-O 3.37Å; P669-K671 HydrophobicContact CB-CG 4.16Å; P669-K671 PolarHBondContact O-N 3.03Å; K671-D674 IonicContact NZ-OD1 2.65Å; K671-D674 PolarHBondContact NZ-OD1 3.18Å; K671-D674 IonicContact NZ-OD2 2.75Å; K671-D674 PolarHBondContact NZ-OD2 2.81Å
672M90.7Very high87.9Confident43 Ų4376.8 Ų76.821%0.21243%0.43CS..PPolyproline II helixtrans-62.3139.5162.6-166.4170.669.700108.9P246 E325 A676 E678P246-M672 HydrophobicContact CB-SD 4.32Å; E325-M672 HydrophobicContact CG-CB 4.38Å; M672-A676 HydrophobicContact CE-CB 4.24Å; M672-A676 HydrophobicContact CG-CB 3.44Å; M672-A676 VanDerWaalsContact CG-CB 3.44Å; M672-A676 HydrophobicContact SD-CB 3.8Å; M672-E678 HydrophobicContact CE-CG 4.24Å
673L92.2Very high87.7Confident27 Ų2774.6 Ų74.614%0.14142%0.422CS..PPolyproline II helixtrans-75.8155-177.6-66.1178000111.2R216 Y221 P223 P669 G675 A676R216-L673 HydrophobicContact CB-CD1 4.12Å; R216-L673 HydrophobicContact CG-CD1 4.2Å; Y221-L673 HydrophobicContact CD1-CD1 3.67Å; Y221-L673 HydrophobicContact CE1-CD1 4.04Å; P223-L673 HydrophobicContact CB-CB 3.75Å; P223-L673 HydrophobicContact CB-CD1 4.21Å; P669-L673 HydrophobicContact CG-CD2 4.08Å; L673-G675 PolarHBondContact O-N 3.22Å; L673-A676 WeakPolarHBondContact O-CB 3.43Å; L673-A676 PolarHBondContact O-N 2.66Å
674D90.2Very high87.4Confident133 Ų13376 Ų7671%0.71142%0.418SS*.THydrogen-bonded Turntrans-69.4130.6178-51-47.3000108.7K671K671-D674 IonicContact NZ-OD1 2.65Å; K671-D674 PolarHBondContact NZ-OD1 3.18Å; K671-D674 IonicContact NZ-OD2 2.75Å; K671-D674 PolarHBondContact NZ-OD2 2.81Å
675G91.6Very high87.4Confident58 Ų5873.5 Ų73.560%0.59842%0.418SS*.THydrogen-bonded Turntrans90.8-5.1-171.800000115.7P223 N224 L673P223-G675 VanDerWaalsContact CG-C 3.5Å; N224-G675 PolarHBondContact ND2-O 3.37Å; L673-G675 PolarHBondContact O-N 3.22Å
676A92.1Very high87Confident18 Ų1875.9 Ų75.915%0.14941%0.411CS..PPolyproline II helixtrans-65.6133.4168.500000111.2P223 P246 M672 L673P223-A676 HydrophobicContact CB-CB 4.05Å; P246-A676 HydrophobicContact CG-CB 4.35Å; M672-A676 HydrophobicContact CE-CB 4.24Å; M672-A676 HydrophobicContact CG-CB 3.44Å; M672-A676 VanDerWaalsContact CG-CB 3.44Å; M672-A676 HydrophobicContact SD-CB 3.8Å; L673-A676 WeakPolarHBondContact O-CB 3.43Å; L673-A676 PolarHBondContact O-N 2.66Å
677K91.2Very high86.4Confident152 Ų15274.1 Ų74.166%0.66141%0.405SS*.PPolyproline II helixtrans-96.7133.3174-62.7170.7-174.7171.10109.5N224N224-K677 WeakPolarHBondContact OD1-CB 3.47Å; N224-K677 WeakPolarHBondContact OD1-CG 3.39Å; N224-K677 PolarHBondContact OD1-N 2.8Å
678E85.4Confident85.5Confident113 Ų11373.2 Ų73.253%0.52840%0.396SS..PPolyproline II helixtrans-67.6138171.4-60.3-148.9150.300110.3K310 M672K310-E678 IonicContact NZ-OE1 3.81Å; K310-E678 PolarHBondContact NZ-OE1 2.98Å; K310-E678 IonicContact NZ-OE2 2.77Å; K310-E678 PolarHBondContact NZ-OE2 3.4Å; M672-E678 HydrophobicContact CE-CG 4.24Å
679P84.9Confident84.2Confident44 Ų4477.3 Ų77.329%0.28642%0.419SS..PPolyproline II helixtrans-61.2150.2174.9-22.134.8000111.2P246 C681P246-P679 HydrophobicContact CB-CG 4.29Å; P679-C681 PolarHBondContact O-N 3.11Å
680L83.9Confident82.8Confident161 Ų16182.7 Ų82.784%0.84344%0.44SS*.PPolyproline II helixtrans-57.6126.5174.6-66.6174.8000110.3V682L680-V682 WeakPolarHBondContact O-CG2 3.47Å; L680-V682 PolarHBondContact O-N 2.96Å
681C83.4Confident81.1Confident99 Ų9991.3 Ų91.367%0.66948%0.476SS*.PPolyproline II helixtrans-54.7119.8178.7-178.50000110.9E307 P679E307-C681 PolarHBondContact OE2-SG 3.47Å; E307-C681 VanDerWaalsContact OE2-SG 3.34Å; P679-C681 PolarHBondContact O-N 3.11Å
682V82Confident79Confident58 Ų5891.6 Ų91.635%0.35249%0.485SS..  trans-96.1-27.3-177.3-172.10000111.4I304 E307 L680 K684I304-V682 HydrophobicContact CD1-CB 4.02Å; I304-V682 HydrophobicContact CD1-CG1 3.97Å; I304-V682 HydrophobicContact CD1-CG2 4.09Å; I304-V682 HydrophobicContact CG1-CB 4.14Å; I304-V682 HydrophobicContact CG1-CG2 4.03Å; E307-V682 PolarHBondContact OE1-N 3.24Å; E307-V682 PolarHBondContact OE2-N 3.13Å; E307-V682 VanDerWaalsContact OE2-N 3.08Å; L680-V682 WeakPolarHBondContact O-CG2 3.47Å; L680-V682 PolarHBondContact O-N 2.96Å; V682-K684 PolarHBondContact O-N 2.76Å
683L84.4Confident76.4Confident11 Ų1195.1 Ų95.16%0.05850%0.504CS..  trans-75.5116.4-170.6-64.3-179.7000113.3I304 E307 Y308 D687 W688I304-L683 HydrophobicContact CG2-CD1 4.42Å; I304-L683 HydrophobicContact CG2-CD2 3.69Å; I304-L683 HydrophobicContact CG2-CG 4.07Å; E307-L683 HydrophobicContact CB-CD1 3.67Å; E307-L683 HydrophobicContact CB-CG 4.31Å; E307-L683 WeakPolarHBondContact OE2-CG 3.22Å; E307-L683 PolarHBondContact OE2-N 2.92Å; Y308-L683 HydrophobicContact CD1-CD1 3.78Å; Y308-L683 HydrophobicContact CD2-CD1 3.74Å; Y308-L683 HydrophobicContact CD2-CD2 4.28Å; Y308-L683 HydrophobicContact CE1-CD1 3.84Å; Y308-L683 HydrophobicContact CE1-CD2 4.25Å; Y308-L683 HydrophobicContact CE2-CD1 3.83Å; Y308-L683 HydrophobicContact CE2-CD2 3.57Å; Y308-L683 HydrophobicContact CE2-CG 4.35Å; Y308-L683 HydrophobicContact CG-CD1 3.73Å; L683-D687 HydrophobicContact CD2-CB 4.05Å; L683-W688 HydrophobicContact CB-CZ2 3.83Å; L683-W688 HydrophobicContact CD1-CH2 3.56Å; L683-W688 HydrophobicContact CD1-CZ2 3.62Å; L683-W688 HydrophobicContact CD1-CZ3 4.07Å; L683-W688 HydrophobicContact CG-CZ2 4.38Å
684K84Confident74.1Confident131 Ų13197.6 Ų97.657%0.5754%0.536SS*.  trans-81.2159.7177.8-61.4177.6-177.3179.10110.9V682 Q686 D687V682-K684 PolarHBondContact O-N 2.76Å; K684-Q686 HydrophobicContact CB-CG 3.96Å; K684-Q686 PolarHBondContact O-N 3.22Å; K684-D687 WeakPolarHBondContact CB-OD2 3.48Å; K684-D687 PolarHBondContact N-OD2 3.3Å; K684-D687 WeakPolarHBondContact O-CB 3.11Å; K684-D687 PolarHBondContact O-N 3.11Å
685P79.9Confident71.6Confident112 Ų11299.6 Ų99.673%0.72753%0.534SS*.THydrogen-bonded Turntrans-47.3-32.4174.3-32.237.6000115.2
686Q76.6Confident68.9Low121 Ų121100.2 Ų100.257%0.56552%0.52SS*.THydrogen-bonded Turntrans-72.7-27.6177.665.2175.821.500114.6K684 W688 N689K684-Q686 HydrophobicContact CB-CG 3.96Å; K684-Q686 PolarHBondContact O-N 3.22Å; Q686-W688 PolarHBondContact O-N 2.85Å; Q686-N689 WeakPolarHBondContact O-CB 3.43Å; Q686-N689 PolarHBondContact O-N 2.69Å
687D77.9Confident65.9Low44 Ų44107.3 Ų107.324%0.23554%0.543CS..THydrogen-bonded Turntrans-79.4-13.6-175-54.2-38.3000111.5Y308 L683 K684Y308-D687 PolarHBondContact OH-O 2.83Å; L683-D687 HydrophobicContact CD2-CB 4.05Å; K684-D687 WeakPolarHBondContact CB-OD2 3.48Å; K684-D687 PolarHBondContact N-OD2 3.3Å; K684-D687 WeakPolarHBondContact O-CB 3.11Å; K684-D687 PolarHBondContact O-N 3.11Å
688W71.9Confident63.2Low64 Ų64102.9 Ų102.924%0.24253%0.53CS..THydrogen-bonded Turntrans-86.1-11.4174.4-67.2118.5000114.3Y308 R311 L683 Q686Y308-W688 HydrophobicContact CD1-CE3 4.2Å; Y308-W688 HydrophobicContact CD1-CH2 4.5Å; Y308-W688 AromaticContact CD1-CZ3 3.79Å; Y308-W688 HydrophobicContact CD1-CZ3 3.79Å; Y308-W688 HydrophobicContact CE1-CE3 4.35Å; Y308-W688 HydrophobicContact CE1-CZ3 4.35Å; R311-W688 HydrophobicContact CB-CH2 3.93Å; R311-W688 HydrophobicContact CB-CZ3 3.65Å; R311-W688 HydrophobicContact CG-CZ3 4.18Å; R311-W688 PolarHBondContact NH1-O 3.4Å; L683-W688 HydrophobicContact CB-CZ2 3.83Å; L683-W688 HydrophobicContact CD1-CH2 3.56Å; L683-W688 HydrophobicContact CD1-CZ2 3.62Å; L683-W688 HydrophobicContact CD1-CZ3 4.07Å; L683-W688 HydrophobicContact CG-CZ2 4.38Å; Q686-W688 PolarHBondContact O-N 2.85Å
689N63.4Low60.6Low104 Ų104101.8 Ų101.856%0.55653%0.531SS*.SBendtrans-78.2120179.5-73.8-37.3000110.4Q686 K691Q686-N689 WeakPolarHBondContact O-CB 3.43Å; Q686-N689 PolarHBondContact O-N 2.69Å; N689-K691 PolarHBondContact O-N 3.16Å
690E56.4Low58.1Low156 Ų156104.8 Ų104.873%0.72954%0.544SS*.  trans-6973.2179.6-63.9-176.2177.300112.2R311 T692R311-E690 IonicContact NH2-OE1 3.84Å; E690-T692 PolarHBondContact O-N 3.08Å
691K50.6Low55.5Low192 Ų19298.8 Ų98.884%0.83552%0.52SS*.  trans-707.4173.8-74-172.8176.9176.40113.8N689N689-K691 PolarHBondContact O-N 3.16Å
692T46.1Very low52.9Low83 Ų83100.7 Ų100.751%0.50952%0.518SS..SBendtrans-122.689.4171.153.70000109.7E690 G694E690-T692 PolarHBondContact O-N 3.08Å; T692-G694 PolarHBondContact O-N 3.27Å; T692-G694 VanDerWaalsContact O-N 3.12Å
693D36.7Very low50.3Low117 Ų117104.3 Ų104.363%0.62654%0.54SS*.  trans-38.1119.3157.6177.427.8000108.2R695D693-R695 PolarHBondContact O-N 3.42Å; D693-R695 IonicContact OD1-NE 3.7Å; D693-R695 WeakPolarHBondContact OD2-CD 3.4Å; D693-R695 IonicContact OD2-CZ 3.75Å; D693-R695 IonicContact OD2-NE 3.13Å; D693-R695 PolarHBondContact OD2-NE 2.93Å
694G44Very low47.9Very low79 Ų79111.3 Ų111.381%0.81457%0.566SS**SBendtrans-6518.5-155.600000117.2T692 F696T692-G694 PolarHBondContact O-N 3.27Å; T692-G694 VanDerWaalsContact O-N 3.12Å; G694-F696 PolarHBondContact O-N 3.14Å
695R37.9Very low45.6Very low175 Ų175108.6 Ų108.666%0.6658%0.575SS**  trans-86.572-179.7-59.5177-172.8-169.5-1.5110.9D693 W697D693-R695 PolarHBondContact O-N 3.42Å; D693-R695 IonicContact OD1-NE 3.7Å; D693-R695 WeakPolarHBondContact OD2-CD 3.4Å; D693-R695 IonicContact OD2-CZ 3.75Å; D693-R695 IonicContact OD2-NE 3.13Å; D693-R695 PolarHBondContact OD2-NE 2.93Å; R695-W697 PolarHBondContact O-N 3.2Å
696F35Very low43.2Very low70 Ų70107.7 Ų107.731%0.30758%0.577SS.*  trans-61.5114.3161.3-174.8-77.3000109S348 G694 P698S348-F696 VanDerWaalsContact CA-CD1 3.49Å; S348-F696 VanDerWaalsContact CA-CE1 3.46Å; S348-F696 WeakPolarHBondContact O-CD1 3.26Å; G694-F696 PolarHBondContact O-N 3.14Å; F696-P698 HydrophobicContact CE1-CB 3.96Å; F696-P698 HydrophobicContact CE1-CG 4.4Å
697W29Very low41.2Very low167 Ų167113.3 Ų113.363%0.63359%0.593SS**  trans-113.4125.4165.2-64.799.6000108.9R695 T699R695-W697 PolarHBondContact O-N 3.2Å; W697-T699 PolarHBondContact O-N 3.02Å
698P34.9Very low38.9Very low60 Ų60122.7 Ų122.739%0.3963%0.625SS.*  trans-69.296170.827.7-32000109.3F696 I700F696-P698 HydrophobicContact CE1-CB 3.96Å; F696-P698 HydrophobicContact CE1-CG 4.4Å; P698-I700 VanDerWaalsContact C-N 3.29Å; P698-I700 PolarHBondContact O-N 3.16Å
699T30.6Very low37Very low90 Ų90126 Ų12655%0.55265%0.651SS**  trans-69.685.9173.8-37.70000109.5W697 G701W697-T699 PolarHBondContact O-N 3.02Å; T699-G701 PolarHBondContact O-N 3.17Å
700I31.1Very low36.1Very low107 Ų107125.9 Ų125.955%0.54966%0.659SS.*  trans-79.388.8175.9-62.7166.5000108.2P698P698-I700 VanDerWaalsContact C-N 3.29Å; P698-I700 PolarHBondContact O-N 3.16Å
701G30.3Very low36.1Very low34 Ų34122.4 Ų122.435%0.35165%0.645SS.*SBendtrans128129.8175.600000113.1T699T699-G701 PolarHBondContact O-N 3.17Å
702F28.2Very low36.5Very low140 Ų140116.8 Ų116.861%0.61463%0.63SS**SBendtrans57117.7154.3-53.5-89.7000118.5R274R274-F702 VanDerWaalsContact CD-CE1 3.48Å
703T27.3Very low37.3Very low133 Ų133116.2 Ų116.282%0.81663%0.634SS**  trans52.5100.9163.847.60000117.5
704R34Very low38.7Very low159 Ų159114.9 Ų114.960%0.663%0.63SS**PPolyproline II helixtrans-93.7139.8134.9-72.9-164.8179.7-172.5-2.9107.3
705G35.1Very low39.2Very low74 Ų74111.7 Ų111.776%0.76360%0.597SS**PPolyproline II helixtrans-63.5137.7-155.400000114.3
706A31.3Very low40.4Very low92 Ų92108.8 Ų108.876%0.7659%0.59SS**PPolyproline II helixtrans-50.9140.5145.200000108.1R708A706-R708 VanDerWaalsContact C-N 3.3Å; A706-R708 PolarHBondContact O-N 2.9Å
707R33.5Very low42.1Very low239 Ų239113.9 Ų113.990%0.90261%0.608SS**  trans-64.389.5-178.4-165.9176.1-177.1-177.8-0.6108.7V709R707-V709 PolarHBondContact O-N 2.93Å
708R30Very low44.1Very low241 Ų241111 Ų11191%0.90960%0.603SS**  trans-6499.3176.8-90.3-173.4169.3179.8-4.1108.3A706 S710A706-R708 VanDerWaalsContact C-N 3.3Å; A706-R708 PolarHBondContact O-N 2.9Å; R708-S710 PolarHBondContact O-N 3.06Å
709V32.2Very low45.1Very low133 Ų133111.3 Ų111.381%0.80660%0.602SS**  trans-73.4111.4161.4-171.50000106.2R707R707-V709 PolarHBondContact O-N 2.93Å
710S44.7Very low46.6Very low102 Ų102110.5 Ų110.571%0.71360%0.604SS**PPolyproline II helixtrans-82.6131.5168.5530000109.1R708R708-S710 PolarHBondContact O-N 3.06Å
711L56.1Low48.2Very low83 Ų83112.5 Ų112.544%0.43562%0.616SS.*PPolyproline II helixtrans-63.4141.5161.4-74.7127.8000108.6H716 L719L711-H716 PolarHBondContact O-CD2 2.8Å; L711-L719 HydrophobicContact CD1-CD1 3.48Å; L711-L719 VanDerWaalsContact CD1-CD1 3.48Å; L711-L719 HydrophobicContact CD2-CD1 3.97Å; L711-L719 HydrophobicContact CG-CD1 4.36Å
712S58Low49.7Very low74 Ų74116.3 Ų116.352%0.51763%0.632SS.*PPolyproline II helixtrans-65.8168.4169.166.50000110.3V714 G715 H716S712-V714 PolarHBondContact O-N 3.3Å; S712-V714 PolarHBondContact OG-N 2.99Å; S712-G715 WeakPolarHBondContact O-CA 3.4Å; S712-G715 PolarHBondContact O-N 2.98Å; S712-G715 PolarHBondContact OG-N 3.37Å; S712-H716 PolarHBondContact O-N 3.35Å
713A63.2Low50Low71 Ų71116 Ų11659%0.58763%0.634SS**Hα-helixtrans-59.2-19172.100000113.4R717A713-R717 PolarHBondContact O-N 2.85Å; A713-R717 PolarHBondContact O-NE 3.5Å
714V66.8Low50.8Low90 Ų90114.9 Ų114.955%0.54563%0.629SS.*Hα-helixtrans-76.9-47.9170-177.50000110.1S712 H716 R717 I718S712-V714 PolarHBondContact O-N 3.3Å; S712-V714 PolarHBondContact OG-N 2.99Å; V714-H716 VanDerWaalsContact C-N 3.33Å; V714-H716 PolarHBondContact O-N 3.47Å; V714-R717 PolarHBondContact O-N 3.3Å; V714-R717 VanDerWaalsContact O-N 3.1Å; V714-I718 HydrophobicContact CG1-CD1 4.13Å; V714-I718 WeakPolarHBondContact O-CG1 3.38Å; V714-I718 PolarHBondContact O-N 2.79Å
715G54.3Low51.3Low12 Ų12113.1 Ų113.112%0.12464%0.638CS.*Hα-helixtrans-60.6-38.4176.500000113.6S712 I718 L719S712-G715 WeakPolarHBondContact O-CA 3.4Å; S712-G715 PolarHBondContact O-N 2.98Å; S712-G715 PolarHBondContact OG-N 3.37Å; G715-I718 PolarHBondContact O-N 3.44Å; G715-L719 PolarHBondContact O-N 2.82Å
716H63.1Low51.5Low113 Ų113115.2 Ų115.252%0.52364%0.638SS.*Hα-helixtrans-65.5-37.2172.6-82.3-66.2000112.8L711 S712 V714 A720L711-H716 PolarHBondContact O-CD2 2.8Å; S712-H716 PolarHBondContact O-N 3.35Å; V714-H716 VanDerWaalsContact C-N 3.33Å; V714-H716 PolarHBondContact O-N 3.47Å; H716-A720 WeakPolarHBondContact O-CB 3.37Å; H716-A720 PolarHBondContact O-N 3.48Å
717R69.6Low51.8Low178 Ų178116.8 Ų116.867%0.67264%0.644SS**Hα-helixtrans-67.2-38.4173.7-89.5-174.1-92.5-174-10.6112.7A713 V714 A720 N721A713-R717 PolarHBondContact O-N 2.85Å; A713-R717 PolarHBondContact O-NE 3.5Å; V714-R717 PolarHBondContact O-N 3.3Å; V714-R717 VanDerWaalsContact O-N 3.1Å; R717-A720 PolarHBondContact O-N 3.13Å; R717-N721 PolarHBondContact O-N 3.42Å
718I71.6Confident51.8Low105 Ų105116.6 Ų116.654%0.53864%0.643SS.*Hα-helixtrans-62.6-50.3174.3-65.7164.3000109.9V714 G715 A720 N721 V722V714-I718 HydrophobicContact CG1-CD1 4.13Å; V714-I718 WeakPolarHBondContact O-CG1 3.38Å; V714-I718 PolarHBondContact O-N 2.79Å; G715-I718 PolarHBondContact O-N 3.44Å; I718-A720 VanDerWaalsContact C-N 3.31Å; I718-A720 PolarHBondContact O-N 2.92Å; I718-N721 PolarHBondContact O-N 3.03Å; I718-V722 WeakPolarHBondContact O-CG2 3.24Å; I718-V722 PolarHBondContact O-N 3.06Å
719L56.5Low52Low68 Ų68112.3 Ų112.336%0.35664%0.638SS.*Hα-helixtrans-59.6-37.6177.6-97.4160.2000113.7L711 G715 N721 V722 M723L711-L719 HydrophobicContact CD1-CD1 3.48Å; L711-L719 VanDerWaalsContact CD1-CD1 3.48Å; L711-L719 HydrophobicContact CD2-CD1 3.97Å; L711-L719 HydrophobicContact CG-CD1 4.36Å; G715-L719 PolarHBondContact O-N 2.82Å; L719-N721 PolarHBondContact O-N 3.12Å; L719-V722 PolarHBondContact O-N 3.32Å; L719-M723 HydrophobicContact CD2-CE 3.84Å; L719-M723 HydrophobicContact CD2-CG 4Å; L719-M723 HydrophobicContact CD2-SD 4.26Å; L719-M723 PolarHBondContact O-N 3.04Å
720A61.1Low52Low73 Ų73111.9 Ų111.960%0.60364%0.635SS**Hα-helixtrans-64.4-24.7176.200000113.7H716 R717 I718H716-A720 WeakPolarHBondContact O-CB 3.37Å; H716-A720 PolarHBondContact O-N 3.48Å; R717-A720 PolarHBondContact O-N 3.13Å; I718-A720 VanDerWaalsContact C-N 3.31Å; I718-A720 PolarHBondContact O-N 2.92Å
721N64.6Low51.2Low149 Ų149115.3 Ų115.380%0.79764%0.64SS**Hα-helixtrans-89.9-11.6177.1-75.31.8000113.9R717 I718 L719R717-N721 PolarHBondContact O-N 3.42Å; I718-N721 PolarHBondContact O-N 3.03Å; L719-N721 PolarHBondContact O-N 3.12Å
722V62.7Low49.9Very low114 Ų114121.7 Ų121.769%0.69166%0.66SS**Hα-helixtrans-111.6-20.1-178.9-1670000112.5I718 L719I718-V722 WeakPolarHBondContact O-CG2 3.24Å; I718-V722 PolarHBondContact O-N 3.06Å; L719-V722 PolarHBondContact O-N 3.32Å
723M34.3Very low48.7Very low133 Ų133126.4 Ų126.466%0.65567%0.674SS**SBendtrans-85.3126.7176.7-70.7-145154.900112.3L719L719-M723 HydrophobicContact CD2-CE 3.84Å; L719-M723 HydrophobicContact CD2-CG 4Å; L719-M723 HydrophobicContact CD2-SD 4.26Å; L719-M723 PolarHBondContact O-N 3.04Å
724P45.1Very low47.1Very low110 Ų110134.6 Ų134.671%0.71469%0.69SS**PPolyproline II helixtrans-64.3147.6170.728.3-33.8000110.2
725P44.1Very low45.4Very low121 Ų121139.8 Ų139.879%0.78671%0.708SS**PPolyproline II helixtrans-63.1135.2179.125.9-33.8000110.6S727P725-S727 PolarHBondContact O-N 3.43Å
726P38.9Very low44.2Very low119 Ų119143.4 Ų143.477%0.77373%0.731SS**PPolyproline II helixtrans-66.7136.1176.327.6-33.7000110.5R728P726-R728 PolarHBondContact O-N 2.87Å
727S37.4Very low42.7Very low124 Ų124148.1 Ų148.187%0.86775%0.746SS**PPolyproline II helixtrans-55123.8174.50.70000110.4P725P725-S727 PolarHBondContact O-N 3.43Å
728R34.6Very low40.9Very low235 Ų235147.1 Ų147.189%0.88775%0.754SS**PPolyproline II helixtrans-69156.8170.4-72.7-179.9171.7178.2-3.1110.1P726P726-R728 PolarHBondContact O-N 2.87Å
729N33.6Very low39.2Very low151 Ų151146.5 Ų146.581%0.80776%0.764SS**  trans81.681.1173.8-53-7.1000116.8
730V31.4Very low38Very low124 Ų124150.7 Ų150.775%0.75279%0.792SS**  trans-137.6104.2133.3-1770000108.1Y732V730-Y732 HydrophobicContact CG1-CD2 3.55Å; V730-Y732 HydrophobicContact CG1-CE2 3.77Å
731Q27.9Very low36.7Very low174 Ų174150.8 Ų150.881%0.81380%0.801SS**  trans-90.7135.9159.7-74.4169.6-80.900107.6
732Y29.2Very low35.1Very low217 Ų217154.5 Ų154.585%0.85180%0.804SS**  trans-126.8110.8159.6-95.4-74.9000108.6V730V730-Y732 HydrophobicContact CG1-CD2 3.55Å; V730-Y732 HydrophobicContact CG1-CE2 3.77Å
733E32.3Very low33.8Very low173 Ų173156.7 Ų156.781%0.80881%0.806SS**  trans-74.8159.3172.7-69.6175.7129.600110.5
734R29.3Very low33.8Very low244 Ų244157.5 Ų157.592%0.92181%0.811SS**  trans-88125168.5-77.6175.4165-171.4-5.2108.2
735E32.1Very low33Very low199 Ų199161 Ų16193%0.9382%0.816SS**  trans-144.8158.5152.4-119.7163.2-143.400111.4
736S30Very low32.7Very low87 Ų87160.9 Ų160.961%0.60882%0.815SS**  trans-109.8-179.9-162.646.50000112.7
737Y31.3Very low32.3Very low213 Ų213158.8 Ų158.884%0.83581%0.808SS**  trans106.9149.3163.9-62.1-74.9000117.8
738N31.7Very low32.2Very low156 Ų156164.6 Ų164.683%0.83481%0.812SS**  trans-89.7149.9-169.5-48.8-60.7000110.6
739A35.4Very low32.2Very low92 Ų92156.8 Ų156.876%0.7681%0.805SS**  157.2124.8120.300000113.2
740V31.8Very low32.1Very low156 Ų156157.1 Ų157.195%0.94581%0.807SS**  trans29.3116.2135.1-167.50000119
741G32.6Very low32.3Very low76 Ų76162.7 Ų162.778%0.78482%0.816SS**  trans-176.2127.9161.700000113
742R31.1Very low32.6Very low227 Ų227159.2 Ų159.286%0.85782%0.817SS**  trans-85.5159.4179.3-67.1171.3171.2174.5-4.5111.8
743H35.3Very low32.7Very low160 Ų160152 Ų15274%0.74181%0.808SS**  trans150.2106130.4-80.5-71.9000110.9
744I34.6Very low32.7Very low149 Ų149150.2 Ų150.276%0.76481%0.81SS**  101.1135.691.8-77.3-177.7000113.8
745F29.1Very low32.9Very low184 Ų184143.7 Ų143.781%0.80780%0.799SS**  trans-58.1-179.2178-76.5-86.3000116.1
746P38Very low32.9Very low118 Ų118144 Ų14477%0.76679%0.793SS**  cis-129.5165.317.624.61.5000115.8
747A30.6Very low33.3Very low75 Ų75145.4 Ų145.462%0.6280%0.8SS**  cis84.5100.842.600000116.2
748Y34.1Very low33.4Very low247 Ų247143.4 Ų143.497%0.96980%0.798SS**  trans-173.6145.5154.9-86.6-70.8000106.7
749G34Very low33.5Very low71 Ų71147.6 Ų147.673%0.73280%0.802SS**  cis-164.4165.5-5.600000110.6
750N33.4Very low33.4Very low157 Ų157151.2 Ų151.284%0.8480%0.803SS**  trans-65.4149.1-173.7-62.7-40.6000114.2
751Y33.7Very low33.8Very low242 Ų242149 Ų14995%0.94979%0.791SS**  trans-144.9128.6135.1-99.3-76.1000110.7
752A34.1Very low33.9Very low100 Ų100156.6 Ų156.683%0.82680%0.798SS**  trans-113.6155.3173.200000109.3
753G32Very low34Very low66 Ų66154.2 Ų154.268%0.6880%0.797SS**  trans130.1133.1156.600000117.2
754T32.4Very low34Very low136 Ų136157.1 Ų157.183%0.83480%0.801SS**  trans77.3133.6151.565.40000121.3
755P34.6Very low33.9Very low106 Ų106157.9 Ų157.969%0.68880%0.802SS**  trans-95.5-152172.341.5-36.9000111.6
756Y31.3Very low34.1Very low206 Ų206158.7 Ų158.781%0.80881%0.808SS**  trans96.1161.9178.1-55.5-68.5000115.8
757P39Very low33.9Very low116 Ų116161.5 Ų161.575%0.75381%0.811SS**  -137.4-164.7-6741.6-24.3000112.9
758H32.8Very low34.1Very low171 Ų171165.1 Ų165.179%0.79282%0.815SS**  trans-40.8140.7173.9-77.1-82.4000116.8
759R34.7Very low34.1Very low245 Ų245160.9 Ų160.993%0.92580%0.804SS**  trans-141.9123.7143.6-80.9-166177.5-166.9-0.1111.7
760Q33Very low34Very low168 Ų168164.7 Ų164.779%0.78580%0.803SS**  trans-98.8-176.3149.9-64.7-173.32.200108.3
761P40.5Very low34Very low108 Ų108164.7 Ų164.770%0.70180%0.798SS**  -122.7-179.7-65.336-22.4000110.5
762Y33.1Very low33.8Very low236 Ų236162 Ų16293%0.92579%0.794SS**  trans-128.6131.8166.1-117.6-92.3000111.6
763Q33.6Very low33.7Very low177 Ų177169.2 Ų169.283%0.82780%0.799SS**  trans-87149.3173.3-64.3167.5-36.200110.5
764R34.6Very low33.5Very low222 Ų222171.5 Ų171.584%0.83881%0.805SS**  trans176.7111132.7-97.1-179-179.1-168.90.2109
765E33.1Very low33.9Very low164 Ų164169.2 Ų169.277%0.76679%0.793SS**  69.696.894.6-73-174.6141.800114.2
766Q33.9Very low33.8Very low201 Ų201174.2 Ų174.294%0.93980%0.799SS**  trans-142.3106.6139.4-94.4-177.92200108.3
767Q33.9Very low33.8Very low178 Ų178168 Ų16883%0.83280%0.798SS**  trans-91.6150.7162.7-68.3-178.92.900109.2
768Q35.1Very low33.4Very low150 Ų150172.8 Ų172.870%0.70180%0.802SS**  trans132.5139.8137.6-73.2-167.82500114.1
769Q34.2Very low33.2Very low158 Ų158173.4 Ų173.474%0.73881%0.806SS**  trans65139159.6-64.816453.800116.2
770Q31.6Very low33.5Very low152 Ų152166.9 Ų166.971%0.7180%0.795SS**  cis177.3170-17.4-122.8-174.332.700104
771Q33.2Very low33.4Very low156 Ų156167.2 Ų167.273%0.72980%0.797SS**  trans70.198.8160.9-65.5163.245.100119.3
772Q29.9Very low33.2Very low185 Ų185173.2 Ų173.286%0.86481%0.807SS**  36.9117.2121.6-58.3177.611.500119.3
773R31.1Very low33.3Very low252 Ų252167.2 Ų167.295%0.95180%0.8SS**  trans-166.5123.5136-106.3154.8-163.8-114.23.2112.3
774S28.9Very low33.3Very low115 Ų115164.3 Ų164.380%0.80480%0.799SS**  trans-124.5135.5157.2-177.10000107.1
775P39.6Very low33.3Very low87 Ų87158.5 Ų158.557%0.56580%0.798SS**  -139.8166120.324.1-2.6000110.8
776Y33.4Very low33.7Very low212 Ų212156 Ų15683%0.83180%0.797SS**  cis-150.4133.242.3-74.8-94000112.4
777G29.8Very low33.9Very low76 Ų76154.9 Ų154.978%0.78479%0.791SS**  trans-119.8147.6156.700000109.2
778Y31.9Very low34Very low215 Ų215151.7 Ų151.784%0.84379%0.788SS**  trans-131.5109.7-178.4-130.1-86.3000110.5
779Q29.1Very low33.9Very low185 Ų185147.7 Ų147.786%0.86479%0.787SS**  trans-143.1126.1164.1-91.7-170.2-20.300107.6
780P40.8Very low34Very low108 Ų108145.4 Ų145.470%0.70179%0.789SS**  trans-97.6119.9166.14.815.3000110.3
781Q29.7Very low34.2Very low175 Ų175143.4 Ų143.482%0.81879%0.792SS**  trans-82.6145.6157-68.2174.8-18.500108.9
782Y37Very low34.2Very low233 Ų233143.6 Ų143.691%0.91479%0.793SS**  trans-145.9153.8152.3-95.4-70.4000110.6
783S35.6Very low34.5Very low110 Ų110142 Ų14277%0.76979%0.785SS**  trans-104.5159.1-151.1-48.10000114.8
784S33Very low34.6Very low117 Ų117138 Ų13882%0.81878%0.777SS**  trans-37.2137.716951.50000118.6
785A35.2Very low34.8Very low99 Ų99141.5 Ų141.582%0.81878%0.778SS**  trans-160.6136.1137.200000110.6
786P40.1Very low34.5Very low113 Ų113149.4 Ų149.473%0.73480%0.796SS**  trans-109.215817938.9-31.9000113.6
787H38.5Very low34.5Very low177 Ų177148.2 Ų148.282%0.81980%0.798SS**  trans-178.7133.4132.4-106-72.8000115.9
788S35.8Very low34.8Very low110 Ų110150.4 Ų150.477%0.76980%0.802SS**  trans4141.8149.351.50000124.4
789G33.9Very low35Very low67 Ų67146 Ų14669%0.69179%0.793SS**  trans140.988152.200000113.2
790S35.6Very low35.7Very low109 Ų109141.9 Ų141.976%0.76278%0.782SS**  79126.571.373.30000115.8
791S36.4Very low35.5Very low111 Ų111146.3 Ų146.378%0.77679%0.785SS**  trans73.4146.8160.4-52.50000117.2
792Q33.2Very low35.8Very low160 Ų160145.7 Ų145.775%0.74878%0.779SS**  cis165.5152.6-20.5-122.2-1729.500105
793H35.7Very low35.9Very low152 Ų152145 Ų14570%0.70478%0.777SS**  trans63.4155.2174.4-72.5-101.6000115.4
794E34.3Very low36Very low167 Ų167142.7 Ų142.778%0.7877%0.77SS**  cis-152.4178.9-0.6-141157.3-141.500113.9
795K32Very low36.3Very low189 Ų189147.8 Ų147.882%0.82277%0.772SS**  trans-75.9150.6178.6-57.3161.4177.7168.90112.7
796R33.6Very low36.5Very low253 Ų253149.8 Ų149.896%0.95576%0.764SS**  179.4161.7122.8-98.1161.1-169.3-123.73.7113.9
797Q32.8Very low36.5Very low187 Ų187148.7 Ų148.787%0.87476%0.759SS**  trans-95.3163.4-178.4-61.6163.8-36.100112.7
798S37.4Very low36.5Very low122 Ų122145.6 Ų145.685%0.85376%0.757SS**  trans137.9152.1160.353.50000110.6
799D35.4Very low36.6Very low123 Ų123150.7 Ų150.766%0.65876%0.76SS**  cis-158.2155.3-24.2-169.551.6000106.2R801D799-R801 IonicContact OD2-CZ 3.99Å; D799-R801 IonicContact OD2-NH2 2.94Å; D799-R801 PolarHBondContact OD2-NH2 3.17Å
800P44.8Very low36.8Very low98 Ų98153.5 Ų153.564%0.63676%0.759SS**  trans-106.8161.2-174.438.1-30.4000114.3
801R35.5Very low36.9Very low201 Ų201154 Ų15476%0.75875%0.753SS**  trans-178.2169.1150.5-110.4163.1-80.5-167.5-3.4116.6D799D799-R801 IonicContact OD2-CZ 3.99Å; D799-R801 IonicContact OD2-NH2 2.94Å; D799-R801 PolarHBondContact OD2-NH2 3.17Å
802F37.1Very low37Very low162 Ų162154.8 Ų154.871%0.71175%0.749SS**  trans78.3129.2167.8-68.7-72.5000117.9
803Y38.3Very low37.4Very low217 Ų217155 Ų15585%0.85175%0.749SS**  cis-137.3169.2-2.1-78.9-90.5000109.4
804G38.3Very low37.5Very low62 Ų62156.1 Ų156.164%0.63976%0.755SS**  cis151.6134.7-10.300000114.7
805R38.6Very low37.8Very low224 Ų224154.6 Ų154.685%0.84575%0.752SS**  trans72.6147.4167.6-73.4171.3174.7-136.19.4118.6
806H40.3Very low38.2Very low141 Ų141153.8 Ų153.865%0.65375%0.748SS**  cis-151.6145.123.4-120.7-67.6000114.6
807S38.6Very low38.5Very low91 Ų91147.2 Ų147.264%0.63674%0.741SS**  trans39118.8150.446.90000122.4
808S38.3Very low38.9Very low112 Ų112148.4 Ų148.478%0.78374%0.738SS**  75.4145.583.1-59.10000115.1
809R38Very low39.2Very low216 Ų216153 Ų15382%0.81574%0.736SS**  cis-164.1153.12-123.5-177.9178.1165.9-2.4110.1
810N38.8Very low39.8Very low126 Ų126162.4 Ų162.467%0.67476%0.763SS**  trans63.3131.5141.5-74.127.5000125.4
811N38.5Very low39.6Very low119 Ų119165.7 Ų165.764%0.63677%0.769SS**  trans84.9112.1131.1-69.438.9000123.6
812D37.8Very low39.8Very low129 Ų129163.8 Ų163.869%0.6977%0.77SS**  77.6149.6120.1-64.3-42.8000124.8
813H40.5Very low39.9Very low165 Ų165163.9 Ų163.976%0.76477%0.773SS**  trans76.8113.6171-63.40.2000115.8
814Q38.8Very low40Very low174 Ų174160.8 Ų160.881%0.81377%0.768SS**  56.1111.375.9-67.4-168.111.900112.9
815D40.7Very low40.1Very low135 Ų135166.9 Ų166.972%0.72278%0.777SS**  -166.5-174.388.7-152.2-3.1000112.2
816K40.2Very low40.3Very low172 Ų172163.1 Ų163.175%0.74877%0.772SS**  trans-99.9-172.8-158.5-60149.4-170.9142.60114.6
817S40.2Very low40.2Very low116 Ų116164.7 Ų164.781%0.81178%0.78SS**  trans83.5145157.381.40000115
818R40.6Very low40.4Very low212 Ų212170.4 Ų170.480%0.879%0.792SS**  cis151.4129.6-16.6-115.3-173.2171.2179.9-0.8104
819R45Very low40.6Very low217 Ų217175.3 Ų175.382%0.81979%0.792SS**  trans62.9101.1156.7-60.2177.9170.8-175.5-4.9118.2
820R47.5Very low40.8Very low322 Ų322171.5 Ų171.5100%1.21579%0.79SS**  -145.7091.4-103.2-178.3-179.8-174.80.4110.2

Retrieved 820 of 820 residues in 224.9 ms (Link to these results)

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