A0A096NWI3_PAPAN Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB (Q4R7L5), UniProt , Accession A0A096NWI3, Species PAPAN (Papio anubis, Olive baboon), Gene DDX1, Length 740 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
1M49.7Very low79.9Confident168 Ų16859.8 Ų59.883%0.82836%0.358SS*.  0-25.70-80.8-162.6-89.600114.7S5 E18M1-S5 VanDerWaalsContact O-CB 3.3Å; M1-S5 WeakPolarHBondContact O-CB 3.34Å; M1-S5 PolarHBondContact O-OG 2.69Å; M1-E18 WeakPolarHBondContact CA-OE1 3.46Å; M1-E18 PolarHBondContact N-OE1 3.46Å
2A63.3Low81.1Confident61 Ų6160.1 Ų60.150%0.50435%0.353SS..Hα-helixtrans-67.5-56.8-167.100000115.1F4 S5 E6A2-F4 PolarHBondContact O-N 3.41Å; A2-S5 PolarHBondContact O-N 3.19Å; A2-E6 VanDerWaalsContact O-CG 3.28Å; A2-E6 WeakPolarHBondContact O-CG 3.31Å; A2-E6 PolarHBondContact O-N 3.28Å
3A75.8Confident82.1Confident21 Ų2155.5 Ų55.517%0.17433%0.326CS..Hα-helixtrans-65.5-46.6-162.200000115.2E6 L24 P25A3-E6 PolarHBondContact O-N 2.93Å; A3-L24 HydrophobicContact CB-CD2 4.02Å; A3-P25 HydrophobicContact CB-CG 4.38Å
4F82.5Confident82.8Confident10 Ų1051.7 Ų51.74%0.04430%0.304CS..Hα-helixtrans-68.9-36.7176.7-80.5-90.5000112.6A2 E6 M7 V9 A14 V17 W22 P25 I33 I58A2-F4 PolarHBondContact O-N 3.41Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 2.76Å; F4-M7 HydrophobicContact CB-CE 4.16Å; F4-M7 HydrophobicContact CD1-CE 3.28Å; F4-M7 HydrophobicContact CD2-CE 4.45Å; F4-M7 HydrophobicContact CE1-CE 3.66Å; F4-M7 HydrophobicContact CG-CE 3.73Å; F4-M7 HydrophobicContact CZ-CE 4.39Å; F4-M7 PolarHBondContact O-N 2.83Å; F4-V9 HydrophobicContact CB-CB 4.21Å; F4-V9 HydrophobicContact CB-CG2 4.42Å; F4-V9 HydrophobicContact CD1-CG2 4.22Å; F4-V9 VanDerWaalsContact O-CB 3.22Å; F4-V9 WeakPolarHBondContact O-CB 3.39Å; F4-V9 WeakPolarHBondContact O-CG2 3.41Å; F4-V9 PolarHBondContact O-N 2.93Å; F4-A14 HydrophobicContact CB-CB 4.34Å; F4-V17 HydrophobicContact CD1-CG1 4.4Å; F4-V17 HydrophobicContact CD2-CG1 3.81Å; F4-V17 HydrophobicContact CE1-CG1 4.1Å; F4-V17 HydrophobicContact CE2-CG1 3.46Å; F4-V17 VanDerWaalsContact CE2-CG1 3.46Å; F4-V17 HydrophobicContact CG-CG1 4.27Å; F4-V17 HydrophobicContact CZ-CG1 3.63Å; F4-W22 HydrophobicContact CE2-CB 4.37Å; F4-W22 HydrophobicContact CZ-CE3 4.04Å; F4-P25 HydrophobicContact CE1-CB 4.18Å; F4-P25 HydrophobicContact CE2-CB 4.07Å; F4-P25 HydrophobicContact CZ-CB 3.78Å; F4-I33 HydrophobicContact CD1-CD1 4.28Å; F4-I33 HydrophobicContact CE1-CD1 3.94Å; F4-I58 HydrophobicContact CD1-CD1 4.29Å; F4-I58 HydrophobicContact CE1-CD1 3.79Å
5S84Confident83.4Confident50 Ų5054.1 Ų54.135%0.3531%0.311SS..Hα-helixtrans-65.3-35.2176.9-53.80000112M1 A2 M7 G8M1-S5 VanDerWaalsContact O-CB 3.3Å; M1-S5 WeakPolarHBondContact O-CB 3.34Å; M1-S5 PolarHBondContact O-OG 2.69Å; A2-S5 PolarHBondContact O-N 3.19Å; S5-M7 PolarHBondContact O-N 2.88Å; S5-G8 PolarHBondContact O-N 3.1Å
6E80.7Confident84Confident159 Ų15950.9 Ų50.974%0.74329%0.293SS*.Hα-helixtrans-62.9-28175.5-77169.3-166.300112.6A2 A3 F4 G8A2-E6 VanDerWaalsContact O-CG 3.28Å; A2-E6 WeakPolarHBondContact O-CG 3.31Å; A2-E6 PolarHBondContact O-N 3.28Å; A3-E6 PolarHBondContact O-N 2.93Å; F4-E6 VanDerWaalsContact C-N 3.3Å; F4-E6 PolarHBondContact O-N 2.76Å; E6-G8 PolarHBondContact O-N 3.43Å
7M82.3Confident84.4Confident29 Ų2947.9 Ų47.914%0.14328%0.276CS..THydrogen-bonded Turntrans-80.80.2173.4-60.2-173.9-7100113.8F4 S5 V9 P25 A30 I33 P34 L37F4-M7 HydrophobicContact CB-CE 4.16Å; F4-M7 HydrophobicContact CD1-CE 3.28Å; F4-M7 HydrophobicContact CD2-CE 4.45Å; F4-M7 HydrophobicContact CE1-CE 3.66Å; F4-M7 HydrophobicContact CG-CE 3.73Å; F4-M7 HydrophobicContact CZ-CE 4.39Å; F4-M7 PolarHBondContact O-N 2.83Å; S5-M7 PolarHBondContact O-N 2.88Å; M7-V9 HydrophobicContact CB-CG2 4.47Å; M7-P25 HydrophobicContact CE-CB 3.59Å; M7-P25 HydrophobicContact CE-CG 3.8Å; M7-P25 HydrophobicContact SD-CB 4.13Å; M7-P25 HydrophobicContact SD-CG 4.11Å; M7-A30 HydrophobicContact SD-CB 4.49Å; M7-I33 HydrophobicContact CB-CG2 4.29Å; M7-I33 HydrophobicContact CE-CD1 3.9Å; M7-I33 HydrophobicContact SD-CB 4.37Å; M7-I33 HydrophobicContact SD-CD1 4.4Å; M7-P34 HydrophobicContact CB-CG 4.21Å; M7-P34 HydrophobicContact CG-CG 4.38Å; M7-L37 WeakPolarHBondContact O-CD1 3.37Å
8G83.8Confident84.5Confident41 Ų4149.3 Ų49.342%0.42328%0.28SS..THydrogen-bonded Turntrans86.314.3-176.800000114.8S5 E6 Q62S5-G8 PolarHBondContact O-N 3.1Å; E6-G8 PolarHBondContact O-N 3.43Å; G8-Q62 PolarHBondContact O-NE2 2.84Å
9V91Very high84.6Confident6 Ų651.7 Ų51.74%0.03629%0.288CS..  trans-75.7133.6175.4-178.60000110.4F4 M7 I13 I33 I58F4-V9 HydrophobicContact CB-CB 4.21Å; F4-V9 HydrophobicContact CB-CG2 4.42Å; F4-V9 HydrophobicContact CD1-CG2 4.22Å; F4-V9 VanDerWaalsContact O-CB 3.22Å; F4-V9 WeakPolarHBondContact O-CB 3.39Å; F4-V9 WeakPolarHBondContact O-CG2 3.41Å; F4-V9 PolarHBondContact O-N 2.93Å; M7-V9 HydrophobicContact CB-CG2 4.47Å; V9-I13 HydrophobicContact CG1-CB 3.75Å; V9-I13 HydrophobicContact CG1-CG2 3.82Å; V9-I33 HydrophobicContact CG2-CG2 3.78Å; V9-I58 HydrophobicContact CB-CG2 4.36Å; V9-I58 HydrophobicContact CG1-CG2 3.69Å; V9-I58 HydrophobicContact CG2-CG2 3.69Å
10M92.8Very high84.6Confident24 Ų2451.2 Ų51.212%0.11828%0.284CS..  trans-66.1149.2-178.172.5-174-54.200112.7E12 I13 A14 Q62 Y65 I313M10-E12 VanDerWaalsContact C-N 3.26Å; M10-E12 HydrophobicContact CE-CB 4.41Å; M10-E12 HydrophobicContact CE-CG 4.47Å; M10-E12 WeakPolarHBondContact CE-OE2 3.17Å; M10-E12 PolarHBondContact O-N 3.47Å; M10-E12 VanDerWaalsContact O-N 3.15Å; M10-I13 HydrophobicContact CG-CB 4.09Å; M10-I13 HydrophobicContact CG-CD1 3.73Å; M10-I13 HydrophobicContact CG-CG1 3.65Å; M10-I13 PolarHBondContact O-N 2.65Å; M10-I13 VanDerWaalsContact O-N 3.08Å; M10-I13 HydrophobicContact SD-CD1 3.81Å; M10-I13 HydrophobicContact SD-CG1 3.97Å; M10-A14 PolarHBondContact O-N 2.88Å; M10-Q62 HydrophobicContact CG-CG 4.42Å; M10-Q62 HydrophobicContact SD-CB 4.48Å; M10-Q62 HydrophobicContact SD-CG 4.1Å; M10-Y65 HydrophobicContact CE-CD1 3.62Å; M10-Y65 HydrophobicContact CE-CE1 3.44Å; M10-Y65 VanDerWaalsContact CE-CE1 3.44Å; M10-Y65 HydrophobicContact SD-CD1 3.99Å; M10-Y65 HydrophobicContact SD-CE1 4.41Å; M10-I313 HydrophobicContact SD-CD1 4.18Å; M10-I313 HydrophobicContact SD-CG1 4.43Å
11P93Very high84.3Confident89 Ų8955.6 Ų55.658%0.57831%0.307SS*.Hα-helixtrans-54.5-36.9-175.3-27.735.5000114.7A14 Q15P11-A14 PolarHBondContact O-N 2.98Å; P11-Q15 WeakPolarHBondContact O-CB 3.3Å; P11-Q15 PolarHBondContact O-N 3.31Å
12E94.2Very high85.8Confident63 Ų6350.8 Ų50.829%0.29428%0.28SS..Hα-helixtrans-64.3-40.6-179.7-65.487.6152.900111.8M10 A16 Y312 I313M10-E12 VanDerWaalsContact C-N 3.26Å; M10-E12 HydrophobicContact CE-CB 4.41Å; M10-E12 HydrophobicContact CE-CG 4.47Å; M10-E12 WeakPolarHBondContact CE-OE2 3.17Å; M10-E12 PolarHBondContact O-N 3.47Å; M10-E12 VanDerWaalsContact O-N 3.15Å; E12-A16 PolarHBondContact O-N 3.26Å; E12-Y312 WeakPolarHBondContact O-CB 3.02Å; E12-I313 HydrophobicContact CB-CG1 4.21Å
13I94.7Very high86.3Confident0 Ų054.9 Ų54.90%029%0.292CS..Hα-helixtrans-75.3-41.7175.9-59.7173.5000109.9V9 M10 Q15 A16 V17 I58 I61 Q62 I313V9-I13 HydrophobicContact CG1-CB 3.75Å; V9-I13 HydrophobicContact CG1-CG2 3.82Å; M10-I13 HydrophobicContact CG-CB 4.09Å; M10-I13 HydrophobicContact CG-CD1 3.73Å; M10-I13 HydrophobicContact CG-CG1 3.65Å; M10-I13 PolarHBondContact O-N 2.65Å; M10-I13 VanDerWaalsContact O-N 3.08Å; M10-I13 HydrophobicContact SD-CD1 3.81Å; M10-I13 HydrophobicContact SD-CG1 3.97Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 2.72Å; I13-A16 WeakPolarHBondContact O-CB 3.4Å; I13-A16 PolarHBondContact O-N 3.47Å; I13-V17 HydrophobicContact CG2-CG2 4.14Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.1Å; I13-V17 PolarHBondContact O-N 3.15Å; I13-I58 HydrophobicContact CG2-CB 4.43Å; I13-I58 HydrophobicContact CG2-CG1 4.07Å; I13-I58 HydrophobicContact CG2-CG2 3.91Å; I13-I61 HydrophobicContact CD1-CB 4.37Å; I13-I61 HydrophobicContact CD1-CG2 3.84Å; I13-I61 HydrophobicContact CG1-CG2 4.42Å; I13-Q62 HydrophobicContact CD1-CB 3.81Å; I13-I313 HydrophobicContact CD1-CD1 3.96Å; I13-I313 HydrophobicContact CG1-CD1 3.7Å; I13-I313 HydrophobicContact CG1-CG1 4.22Å
14A91.4Very high86.4Confident3 Ų360.2 Ų60.23%0.02532%0.317CS..Hα-helixtrans-57.8-41.5177.200000111.6F4 M10 P11 A16 V17 E18F4-A14 HydrophobicContact CB-CB 4.34Å; M10-A14 PolarHBondContact O-N 2.88Å; P11-A14 PolarHBondContact O-N 2.98Å; A14-A16 PolarHBondContact O-N 2.91Å; A14-V17 PolarHBondContact O-N 2.89Å; A14-E18 WeakPolarHBondContact O-CG 3.41Å; A14-E18 PolarHBondContact O-N 3.13Å
15Q92.5Very high86.4Confident87 Ų8761 Ų6141%0.40732%0.324SS..Hα-helixtrans-60.9-43.4173.8-175.5-173.7-12.400112P11 I13 V17 E18 E19 Y312P11-Q15 WeakPolarHBondContact O-CB 3.3Å; P11-Q15 PolarHBondContact O-N 3.31Å; I13-Q15 VanDerWaalsContact C-N 3.27Å; I13-Q15 PolarHBondContact O-N 2.72Å; Q15-V17 VanDerWaalsContact C-N 3.32Å; Q15-V17 PolarHBondContact O-N 2.95Å; Q15-E18 PolarHBondContact O-N 2.95Å; Q15-E19 PolarHBondContact O-N 2.87Å; Q15-Y312 HydrophobicContact CB-CD2 3.94Å; Q15-Y312 HydrophobicContact CB-CE2 4.34Å; Q15-Y312 HydrophobicContact CG-CD2 3.71Å; Q15-Y312 HydrophobicContact CG-CE2 3.66Å; Q15-Y312 HydrophobicContact CG-CG 4.4Å; Q15-Y312 VanDerWaalsContact NE2-CZ 3.33Å
16A93Very high86.5Confident3 Ų361.2 Ų61.23%0.02532%0.323CS..Hα-helixtrans-64.4-38.9178.200000112.2E12 I13 A14 E19 M20 Q308 F309 Y312E12-A16 PolarHBondContact O-N 3.26Å; I13-A16 WeakPolarHBondContact O-CB 3.4Å; I13-A16 PolarHBondContact O-N 3.47Å; A14-A16 PolarHBondContact O-N 2.91Å; A16-E19 PolarHBondContact O-N 3.17Å; A16-M20 WeakPolarHBondContact O-CG 3.43Å; A16-Q308 WeakPolarHBondContact CB-O 3.39Å; A16-F309 WeakPolarHBondContact CB-O 3.21Å; A16-Y312 HydrophobicContact CB-CD2 3.95Å; A16-Y312 HydrophobicContact CB-CE2 4.43Å
17V89.8Confident86.6Confident0 Ų059.4 Ų59.40%032%0.318CS..Hα-helixtrans-68.3-39.4178.4171.60000111.4F4 I13 A14 Q15 E19 M20 W22 I58 F309F4-V17 HydrophobicContact CD1-CG1 4.4Å; F4-V17 HydrophobicContact CD2-CG1 3.81Å; F4-V17 HydrophobicContact CE1-CG1 4.1Å; F4-V17 HydrophobicContact CE2-CG1 3.46Å; F4-V17 VanDerWaalsContact CE2-CG1 3.46Å; F4-V17 HydrophobicContact CG-CG1 4.27Å; F4-V17 HydrophobicContact CZ-CG1 3.63Å; I13-V17 HydrophobicContact CG2-CG2 4.14Å; I13-V17 VanDerWaalsContact O-CG2 3.32Å; I13-V17 WeakPolarHBondContact O-CG2 3.1Å; I13-V17 PolarHBondContact O-N 3.15Å; A14-V17 PolarHBondContact O-N 2.89Å; Q15-V17 VanDerWaalsContact C-N 3.32Å; Q15-V17 PolarHBondContact O-N 2.95Å; V17-E19 VanDerWaalsContact C-N 3.31Å; V17-E19 PolarHBondContact O-N 3.29Å; V17-M20 WeakPolarHBondContact O-CB 3.18Å; V17-M20 PolarHBondContact O-N 3.37Å; V17-W22 HydrophobicContact CG1-CB 3.49Å; V17-W22 VanDerWaalsContact CG1-CB 3.49Å; V17-W22 HydrophobicContact CG1-CD2 4.2Å; V17-W22 HydrophobicContact CG1-CE3 3.74Å; V17-W22 HydrophobicContact CG1-CG 4.17Å; V17-W22 PolarHBondContact O-N 3.38Å; V17-I58 HydrophobicContact CG2-CD1 3.85Å; V17-I58 HydrophobicContact CG2-CG1 4.45Å; V17-F309 HydrophobicContact CG2-CD1 3.99Å; V17-F309 HydrophobicContact CG2-CE1 4.32Å
18E85.6Confident86.8Confident74 Ų7458.1 Ų58.135%0.34631%0.312SS..Hα-helixtrans-61.8-36.6175.4-77.5178-173.100112.9M1 A14 Q15 M20 D21M1-E18 WeakPolarHBondContact CA-OE1 3.46Å; M1-E18 PolarHBondContact N-OE1 3.46Å; A14-E18 WeakPolarHBondContact O-CG 3.41Å; A14-E18 PolarHBondContact O-N 3.13Å; Q15-E18 PolarHBondContact O-N 2.95Å; E18-M20 PolarHBondContact O-N 2.79Å; E18-D21 PolarHBondContact O-N 2.75Å
19E87.1Confident87.1Confident95 Ų9556.2 Ų56.244%0.44429%0.292SS..THydrogen-bonded Turntrans-69.3-14.6175.1-71.5-176.6178.300114.1Q15 A16 V17 K311 Y312Q15-E19 PolarHBondContact O-N 2.87Å; A16-E19 PolarHBondContact O-N 3.17Å; V17-E19 VanDerWaalsContact C-N 3.31Å; V17-E19 PolarHBondContact O-N 3.29Å; E19-K311 IonicContact OE2-NZ 2.79Å; E19-K311 PolarHBondContact OE2-NZ 3.05Å; E19-Y312 WeakPolarHBondContact OE1-CE2 3.44Å; E19-Y312 VanDerWaalsContact OE1-CZ 3.29Å; E19-Y312 PolarHBondContact OE1-OH 2.86Å; E19-Y312 PolarHBondContact OE2-OH 2.79Å
20M84.8Confident86.9Confident41 Ų4157.7 Ų57.720%0.20230%0.304CS..THydrogen-bonded Turntrans-89.911172.4-61.2174.259.200112A16 V17 E18 W22 Q308 F309A16-M20 WeakPolarHBondContact O-CG 3.43Å; V17-M20 WeakPolarHBondContact O-CB 3.18Å; V17-M20 PolarHBondContact O-N 3.37Å; E18-M20 PolarHBondContact O-N 2.79Å; M20-W22 HydrophobicContact CB-CG 4.48Å; M20-W22 HydrophobicContact CE-CZ2 4.16Å; M20-W22 PolarHBondContact O-N 3.19Å; M20-Q308 HydrophobicContact SD-CB 3.82Å; M20-Q308 PolarHBondContact SD-OE1 3.21Å; M20-F309 HydrophobicContact CE-CE1 3.74Å; M20-F309 HydrophobicContact CE-CZ 4.36Å; M20-F309 HydrophobicContact SD-CD1 3.8Å; M20-F309 HydrophobicContact SD-CE1 3.57Å; M20-F309 VanDerWaalsContact SD-CE1 3.57Å
21D78.9Confident86.6Confident143 Ų14361.7 Ų61.777%0.76532%0.323SS*.THydrogen-bonded Turntrans62.422.5-176.1-60.9-51.2000114.1E18 L23E18-D21 PolarHBondContact O-N 2.75Å; D21-L23 PolarHBondContact O-N 2.96Å; D21-L23 VanDerWaalsContact O-N 3.14Å
22W80.5Confident86.6Confident68 Ų6857.5 Ų57.526%0.25830%0.296SS..  trans-86.479.7175.6-70.115.7000110.3F4 V17 M20 Q29 I58 F309F4-W22 HydrophobicContact CE2-CB 4.37Å; F4-W22 HydrophobicContact CZ-CE3 4.04Å; V17-W22 HydrophobicContact CG1-CB 3.49Å; V17-W22 VanDerWaalsContact CG1-CB 3.49Å; V17-W22 HydrophobicContact CG1-CD2 4.2Å; V17-W22 HydrophobicContact CG1-CE3 3.74Å; V17-W22 HydrophobicContact CG1-CG 4.17Å; V17-W22 PolarHBondContact O-N 3.38Å; M20-W22 HydrophobicContact CB-CG 4.48Å; M20-W22 HydrophobicContact CE-CZ2 4.16Å; M20-W22 PolarHBondContact O-N 3.19Å; W22-Q29 VanDerWaalsContact CH2-NE2 3.3Å; W22-I58 HydrophobicContact CZ3-CD1 4.42Å; W22-F309 HydrophobicContact CH2-CE1 4.01Å; W22-F309 AromaticContact CH2-CZ 3.78Å; W22-F309 HydrophobicContact CH2-CZ 3.78Å; W22-F309 AromaticContact CZ3-CE1 3.94Å; W22-F309 HydrophobicContact CZ3-CE1 3.94Å; W22-F309 AromaticContact CZ3-CZ 4Å; W22-F309 HydrophobicContact CZ3-CZ 4Å
23L74.1Confident86.5Confident146 Ų14654.5 Ų54.576%0.76428%0.282SS*.  trans-68.2-33.9-179.4-63.6176.7000113.2D21D21-L23 PolarHBondContact O-N 2.96Å; D21-L23 VanDerWaalsContact O-N 3.14Å
24L77.2Confident86Confident134 Ų13457.1 Ų57.170%0.70230%0.299SS*.SBendtrans-130.6143.7177.5-66.8174.4000109.3A3A3-L24 HydrophobicContact CB-CD2 4.02Å
25P84Confident85.8Confident27 Ų2759.7 Ų59.718%0.17531%0.312CS..  trans-63.4145170.629.1-34.5000110A3 F4 M7 Q29 A30A3-P25 HydrophobicContact CB-CG 4.38Å; F4-P25 HydrophobicContact CE1-CB 4.18Å; F4-P25 HydrophobicContact CE2-CB 4.07Å; F4-P25 HydrophobicContact CZ-CB 3.78Å; M7-P25 HydrophobicContact CE-CB 3.59Å; M7-P25 HydrophobicContact CE-CG 3.8Å; M7-P25 HydrophobicContact SD-CB 4.13Å; M7-P25 HydrophobicContact SD-CG 4.11Å; P25-Q29 HydrophobicContact CB-CB 3.91Å; P25-A30 HydrophobicContact CB-CB 4.41Å; P25-A30 HydrophobicContact CG-CB 4.28Å
26T84.6Confident85.8Confident54 Ų5455.5 Ų55.533%0.33129%0.292SS..  trans-70.1160.4166.6620000110.1I28 Q29 A30 S50T26-I28 PolarHBondContact O-N 3.09Å; T26-I28 VanDerWaalsContact O-N 3.15Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.38Å; T26-Q29 CarbonylContact O-C 3.58Å; T26-Q29 WeakPolarHBondContact O-CA 3.38Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 2.92Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.35Å; T26-Q29 PolarHBondContact OG1-OE1 3.28Å; T26-A30 PolarHBondContact O-N 2.69Å; T26-S50 WeakPolarHBondContact CB-O 3.38Å; T26-S50 WeakPolarHBondContact CG2-O 3.32Å; T26-S50 PolarHBondContact OG1-O 2.72Å
27D82.9Confident85.6Confident121 Ų12157.6 Ų57.665%0.64730%0.303SS*.Hα-helixtrans-53.2-41.5-178.4-59.7-22.9000112.2Q29 A30 E31 L431D27-Q29 VanDerWaalsContact C-N 3.28Å; D27-Q29 PolarHBondContact O-N 3.04Å; D27-A30 PolarHBondContact O-N 3.19Å; D27-E31 WeakPolarHBondContact O-CG 3.28Å; D27-E31 PolarHBondContact O-N 2.89Å; D27-L431 VanDerWaalsContact C-CD1 3.42Å; D27-L431 HydrophobicContact CB-CD1 3.53Å
28I87.7Confident85.2Confident2 Ų260.9 Ų60.91%0.0134%0.336CS..Hα-helixtrans-65.6-32178.5-163.160.8000112.4T26 S32 M44 A46 S50 K52 A55 V429 L431T26-I28 PolarHBondContact O-N 3.09Å; T26-I28 VanDerWaalsContact O-N 3.15Å; T26-I28 WeakPolarHBondContact OG1-CG2 3.38Å; I28-S32 WeakPolarHBondContact O-CB 3.36Å; I28-S32 PolarHBondContact O-N 2.9Å; I28-S32 VanDerWaalsContact O-N 3.07Å; I28-S32 PolarHBondContact O-OG 2.87Å; I28-M44 HydrophobicContact CD1-CB 3.97Å; I28-M44 HydrophobicContact CD1-SD 4.26Å; I28-M44 HydrophobicContact CG1-SD 4.07Å; I28-A46 HydrophobicContact CB-CB 4.03Å; I28-A46 HydrophobicContact CD1-CB 3.96Å; I28-A46 HydrophobicContact CG1-CB 3.84Å; I28-A46 HydrophobicContact CG2-CB 4.49Å; I28-S50 WeakPolarHBondContact CG2-O 3.3Å; I28-K52 HydrophobicContact CG1-CG 4.3Å; I28-A55 HydrophobicContact CG2-CB 4.4Å; I28-V429 HydrophobicContact CD1-CB 4.41Å; I28-V429 HydrophobicContact CD1-CG1 3.68Å; I28-L431 VanDerWaalsContact CA-CD1 3.44Å; I28-L431 HydrophobicContact CB-CD1 3.8Å; I28-L431 HydrophobicContact CD1-CD1 3.86Å; I28-L431 HydrophobicContact CD1-CG 4.21Å; I28-L431 HydrophobicContact CG1-CD1 4.45Å
29Q90.1Very high85.1Confident1 Ų159.5 Ų59.51%0.00534%0.342CS..Hα-helixtrans-75.1-43.9175.9-67.1166.4-3.100110.8W22 P25 T26 D27 E31 I33 G51 A55W22-Q29 VanDerWaalsContact CH2-NE2 3.3Å; P25-Q29 HydrophobicContact CB-CB 3.91Å; T26-Q29 CarbonylContact O-C 3.58Å; T26-Q29 WeakPolarHBondContact O-CA 3.38Å; T26-Q29 WeakPolarHBondContact O-CB 3.47Å; T26-Q29 PolarHBondContact O-N 2.92Å; T26-Q29 VanDerWaalsContact OG1-CG 3.25Å; T26-Q29 WeakPolarHBondContact OG1-CG 3.35Å; T26-Q29 PolarHBondContact OG1-OE1 3.28Å; D27-Q29 VanDerWaalsContact C-N 3.28Å; D27-Q29 PolarHBondContact O-N 3.04Å; Q29-E31 VanDerWaalsContact C-N 3.33Å; Q29-E31 PolarHBondContact O-N 3.15Å; Q29-I33 HydrophobicContact CB-CD1 3.89Å; Q29-I33 VanDerWaalsContact O-CB 3.25Å; Q29-I33 WeakPolarHBondContact O-CB 3.42Å; Q29-I33 WeakPolarHBondContact O-CD1 3.13Å; Q29-I33 WeakPolarHBondContact O-CG1 3.18Å; Q29-I33 PolarHBondContact O-N 3.47Å; Q29-G51 PolarHBondContact NE2-O 3.49Å; Q29-G51 VanDerWaalsContact NE2-O 3.13Å; Q29-A55 HydrophobicContact CB-CB 4.49Å; Q29-A55 HydrophobicContact CG-CB 3.94Å
30A86.1Confident84.7Confident36 Ų3656.5 Ų56.530%0.29834%0.337SS..Hα-helixtrans-58.5-44.6178.600000112M7 P25 T26 D27 P34M7-A30 HydrophobicContact SD-CB 4.49Å; P25-A30 HydrophobicContact CB-CB 4.41Å; P25-A30 HydrophobicContact CG-CB 4.28Å; T26-A30 PolarHBondContact O-N 2.69Å; D27-A30 PolarHBondContact O-N 3.19Å; A30-P34 WeakPolarHBondContact O-CD 3.22Å; A30-P34 WeakPolarHBondContact O-CG 3.27Å
31E87.2Confident85Confident109 Ų10954.6 Ų54.651%0.50933%0.327SS..Hα-helixtrans-76.6-45179.2-67.1-59.9143.800112.4D27 Q29 L35 V429D27-E31 WeakPolarHBondContact O-CG 3.28Å; D27-E31 PolarHBondContact O-N 2.89Å; Q29-E31 VanDerWaalsContact C-N 3.33Å; Q29-E31 PolarHBondContact O-N 3.15Å; E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.4Å; E31-L35 VanDerWaalsContact O-CG 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.32Å; E31-V429 HydrophobicContact CB-CG1 3.64Å; E31-V429 HydrophobicContact CG-CG1 4.36Å
32S91.9Very high85.8Confident0 Ų047.9 Ų47.90%029%0.291CS..Hα-helixtrans-83.9-33.5-168.5-510000114.2I28 L35 I36I28-S32 WeakPolarHBondContact O-CB 3.36Å; I28-S32 PolarHBondContact O-N 2.9Å; I28-S32 VanDerWaalsContact O-N 3.07Å; I28-S32 PolarHBondContact O-OG 2.87Å; S32-L35 PolarHBondContact O-N 3.08Å; S32-I36 VanDerWaalsContact O-CG1 3.3Å; S32-I36 WeakPolarHBondContact O-CG1 3.33Å; S32-I36 PolarHBondContact O-N 2.87Å
33I92.9Very high86.4Confident0 Ų044.6 Ų44.60%028%0.279CS..Hα-helixtrans-60.3-50.5-175.3-69.6171.8000111.6F4 M7 V9 Q29 L35 I36 L37 A55 I58 P59F4-I33 HydrophobicContact CD1-CD1 4.28Å; F4-I33 HydrophobicContact CE1-CD1 3.94Å; M7-I33 HydrophobicContact CB-CG2 4.29Å; M7-I33 HydrophobicContact CE-CD1 3.9Å; M7-I33 HydrophobicContact SD-CB 4.37Å; M7-I33 HydrophobicContact SD-CD1 4.4Å; V9-I33 HydrophobicContact CG2-CG2 3.78Å; Q29-I33 HydrophobicContact CB-CD1 3.89Å; Q29-I33 VanDerWaalsContact O-CB 3.25Å; Q29-I33 WeakPolarHBondContact O-CB 3.42Å; Q29-I33 WeakPolarHBondContact O-CD1 3.13Å; Q29-I33 WeakPolarHBondContact O-CG1 3.18Å; Q29-I33 PolarHBondContact O-N 3.47Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 3.5Å; I33-I36 PolarHBondContact O-N 2.82Å; I33-L37 HydrophobicContact CG2-CD1 3.99Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 2.86Å; I33-A55 WeakPolarHBondContact CG1-O 3.48Å; I33-I58 HydrophobicContact CD1-CB 4.45Å; I33-I58 HydrophobicContact CD1-CD1 4.23Å; I33-I58 HydrophobicContact CD1-CG2 4.34Å; I33-P59 HydrophobicContact CG1-CG 4.49Å
34P83.1Confident87.3Confident56 Ų5637.7 Ų37.736%0.36424%0.243SC..Hα-helixtrans-61.9-37.3178.3-23.235.1000112.9M7 A30 L37 G38M7-P34 HydrophobicContact CB-CG 4.21Å; M7-P34 HydrophobicContact CG-CG 4.38Å; A30-P34 WeakPolarHBondContact O-CD 3.22Å; A30-P34 WeakPolarHBondContact O-CG 3.27Å; P34-L37 PolarHBondContact O-N 3.27Å; P34-G38 PolarHBondContact O-N 2.74Å
35L88.7Confident87.7Confident56 Ų5631.3 Ų31.329%0.29321%0.21SC..Hα-helixtrans-64.1-42.6178.1-65.6174000111.7E31 S32 I33 G38 G39 V42 T427 V429E31-L35 VanDerWaalsContact O-CD1 3.27Å; E31-L35 WeakPolarHBondContact O-CD1 3.4Å; E31-L35 VanDerWaalsContact O-CG 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.32Å; S32-L35 PolarHBondContact O-N 3.08Å; I33-L35 VanDerWaalsContact C-N 3.3Å; I33-L35 PolarHBondContact O-N 3.5Å; L35-G38 PolarHBondContact O-N 2.92Å; L35-G39 PolarHBondContact O-N 2.86Å; L35-V42 HydrophobicContact CB-CG2 3.78Å; L35-T427 HydrophobicContact CD1-CG2 3.64Å; L35-T427 HydrophobicContact CD2-CG2 4.13Å; L35-V429 HydrophobicContact CD1-CG2 3.54Å
36I92.6Very high87.4Confident0 Ų030.2 Ų30.20%020%0.203CC..Hα-helixtrans-69.7-42.8178.2-63.2168.5000110.6S32 I33 G38 G39 V42 M44 A55 F56 P59 Q402 I404S32-I36 VanDerWaalsContact O-CG1 3.3Å; S32-I36 WeakPolarHBondContact O-CG1 3.33Å; S32-I36 PolarHBondContact O-N 2.87Å; I33-I36 PolarHBondContact O-N 2.82Å; I36-G38 PolarHBondContact O-N 3.15Å; I36-G39 PolarHBondContact O-N 2.84Å; I36-V42 HydrophobicContact CG1-CB 4.12Å; I36-V42 HydrophobicContact CG1-CG2 3.7Å; I36-M44 HydrophobicContact CD1-CE 4.47Å; I36-A55 WeakPolarHBondContact CD1-O 3.47Å; I36-F56 HydrophobicContact CD1-CB 4.14Å; I36-P59 HydrophobicContact CB-CB 3.98Å; I36-P59 HydrophobicContact CB-CG 3.72Å; I36-P59 HydrophobicContact CD1-CG 3.98Å; I36-P59 HydrophobicContact CG1-CG 4.45Å; I36-P59 HydrophobicContact CG2-CB 3.7Å; I36-P59 HydrophobicContact CG2-CG 3.58Å; I36-Q402 PolarHBondContact O-NE2 2.74Å; I36-I404 HydrophobicContact CD1-CD1 4.01Å; I36-I404 HydrophobicContact CD1-CG1 4.29Å; I36-I404 HydrophobicContact CD1-CG2 4.2Å; I36-I404 HydrophobicContact CG1-CD1 4.17Å; I36-I404 HydrophobicContact CG1-CG1 4.27Å; I36-I404 HydrophobicContact CG2-CD1 3.72Å
37L87.5Confident86.7Confident47 Ų4732.1 Ų32.125%0.24621%0.208CC..Hα-helixtrans-60-31.5173.2-70.3176.3000112.3M7 I33 P34 G39 P59 I63M7-L37 WeakPolarHBondContact O-CD1 3.37Å; I33-L37 HydrophobicContact CG2-CD1 3.99Å; I33-L37 HydrophobicContact CG2-CG 4.42Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 2.86Å; P34-L37 PolarHBondContact O-N 3.27Å; L37-G39 PolarHBondContact O-N 2.83Å; L37-P59 HydrophobicContact CD2-CB 3.63Å; L37-P59 HydrophobicContact CG-CB 3.77Å; L37-I63 HydrophobicContact CD2-CD1 4.25Å; L37-I63 HydrophobicContact CD2-CG1 4.18Å
38G81Confident86.1Confident68 Ų6827.8 Ų27.870%0.70119%0.186SC*.THydrogen-bonded Turntrans-67-13.5173.600000114.9P34 L35 I36P34-G38 PolarHBondContact O-N 2.74Å; L35-G38 PolarHBondContact O-N 2.92Å; I36-G38 PolarHBondContact O-N 3.15Å
39G83.4Confident85.2Confident46 Ų4630.4 Ų30.447%0.47421%0.214SC..THydrogen-bonded Turntrans85.89.5175.200000115.6L35 I36 L37L35-G39 PolarHBondContact O-N 2.86Å; I36-G39 PolarHBondContact O-N 2.84Å; L37-G39 PolarHBondContact O-N 2.83Å
40G78.9Confident84.4Confident32 Ų3231.7 Ų31.733%0.3322%0.223SC..  trans-85.2156.6175.400000112.8Q402G40-Q402 WeakPolarHBondContact O-CG 3.36Å; G40-Q402 PolarHBondContact O-NE2 2.76Å
41D92.6Very high84.3Confident1 Ų130.7 Ų30.71%0.00522%0.216CC..  trans-68.7142.7169.6-71.6-2.7000109.7R400 Q402 V403 M423 H424 P426 T427D41-R400 IonicContact OD1-CZ 3.73Å; D41-R400 IonicContact OD1-NH1 3.38Å; D41-R400 PolarHBondContact OD1-NH1 2.72Å; D41-R400 IonicContact OD2-CZ 2.82Å; D41-R400 IonicContact OD2-NH1 3.41Å; D41-R400 PolarHBondContact OD2-NH1 3.33Å; D41-R400 IonicContact OD2-NH2 3.75Å; D41-R400 PolarHBondContact OD2-NH2 2.92Å; D41-Q402 WeakPolarHBondContact OD1-CA 3.17Å; D41-V403 VanDerWaalsContact CA-O 3.29Å; D41-V403 WeakPolarHBondContact CA-O 3.31Å; D41-V403 WeakPolarHBondContact CB-O 3.49Å; D41-V403 PolarHBondContact OD1-N 3.5Å; D41-M423 HydrophobicContact CB-CB 3.85Å; D41-M423 HydrophobicContact CB-CE 3.96Å; D41-M423 WeakPolarHBondContact OD2-CB 3.44Å; D41-H424 PolarHBondContact OD2-N 3.4Å; D41-P426 HydrophobicContact CB-CB 4.18Å; D41-P426 WeakPolarHBondContact O-CA 3.47Å; D41-T427 PolarHBondContact O-N 3.08Å
42V94.5Very high84.4Confident1 Ų126 Ų261%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-130124.2-177.3178.80000109.8L35 I36 M44 V403 I404 V405 M423 V429L35-V42 HydrophobicContact CB-CG2 3.78Å; I36-V42 HydrophobicContact CG1-CB 4.12Å; I36-V42 HydrophobicContact CG1-CG2 3.7Å; V42-M44 HydrophobicContact CG1-CB 4.3Å; V42-V403 PolarHBondContact N-O 3.35Å; V42-I404 WeakPolarHBondContact O-CA 2.81Å; V42-V405 PolarHBondContact O-N 2.85Å; V42-M423 VanDerWaalsContact C-CE 3.47Å; V42-M423 VanDerWaalsContact O-CE 3.23Å; V42-M423 WeakPolarHBondContact O-CE 3.49Å; V42-V429 HydrophobicContact CG1-CG2 4.22Å
43L93.5Very high84.4Confident0 Ų027 Ų270%020%0.2CC..EExtended strand (participates in β ladder)trans-110111.6173.617964.6000107.7V405 L410 V415 M423 P426 T427 W428 V429L43-V405 WeakPolarHBondContact CA-O 3.37Å; L43-V405 HydrophobicContact CD1-CB 3.54Å; L43-V405 HydrophobicContact CD1-CG1 3.48Å; L43-V405 VanDerWaalsContact CD1-CG1 3.48Å; L43-L410 HydrophobicContact CD1-CD2 3.46Å; L43-L410 VanDerWaalsContact CD1-CD2 3.46Å; L43-L410 HydrophobicContact CD2-CD1 4.49Å; L43-L410 HydrophobicContact CD2-CD2 4.04Å; L43-L410 HydrophobicContact CG-CD1 4.06Å; L43-L410 HydrophobicContact CG-CD2 3.42Å; L43-L410 VanDerWaalsContact CG-CD2 3.42Å; L43-L410 HydrophobicContact CG-CG 4.25Å; L43-V415 HydrophobicContact CD1-CG1 4.1Å; L43-M423 HydrophobicContact CB-CE 3.99Å; L43-M423 HydrophobicContact CB-SD 4.19Å; L43-M423 HydrophobicContact CD1-SD 4.48Å; L43-P426 HydrophobicContact CB-CB 4.24Å; L43-T427 PolarHBondContact N-O 3.15Å; L43-W428 HydrophobicContact CD2-CD2 4.01Å; L43-W428 HydrophobicContact CD2-CE3 4.35Å; L43-W428 HydrophobicContact CD2-CH2 4.15Å; L43-W428 HydrophobicContact CD2-CZ2 3.79Å; L43-W428 HydrophobicContact CD2-CZ3 4.41Å; L43-W428 WeakPolarHBondContact O-CA 3.44Å; L43-V429 PolarHBondContact O-N 2.97Å
44M92.5Very high84.5Confident0 Ų027 Ų270%020%0.2CC..EExtended strand (participates in β ladder)trans-124.7136.6-171.565.7173.8143.400113.6I28 I36 V42 A55 F56 I404 V405 C406 S407 V429I28-M44 HydrophobicContact CD1-CB 3.97Å; I28-M44 HydrophobicContact CD1-SD 4.26Å; I28-M44 HydrophobicContact CG1-SD 4.07Å; I36-M44 HydrophobicContact CD1-CE 4.47Å; V42-M44 HydrophobicContact CG1-CB 4.3Å; M44-A55 HydrophobicContact CE-CB 4.41Å; M44-A55 HydrophobicContact SD-CB 4.14Å; M44-F56 HydrophobicContact CE-CB 3.69Å; M44-F56 HydrophobicContact CE-CD1 4.06Å; M44-F56 HydrophobicContact CE-CG 4.38Å; M44-I404 HydrophobicContact CE-CG2 3.65Å; M44-V405 PolarHBondContact N-O 3.26Å; M44-C406 WeakPolarHBondContact CE-SG 3.43Å; M44-C406 HydrophobicContact CG-CB 4.29Å; M44-C406 WeakPolarHBondContact O-CA 3.49Å; M44-S407 PolarHBondContact O-N 3.4Å; M44-V429 CarbonylContact C-O 3.55Å; M44-V429 VanDerWaalsContact CA-O 3.29Å; M44-V429 WeakPolarHBondContact CA-O 3.43Å; M44-V429 HydrophobicContact CB-CB 4.11Å
45A86.5Confident85Confident1 Ų124.4 Ų24.41%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-124.1135165.400000112.9S407 L410 V429 L431A45-S407 WeakPolarHBondContact CA-O 3.31Å; A45-S407 VanDerWaalsContact CB-O 3.29Å; A45-S407 WeakPolarHBondContact CB-O 3.4Å; A45-L410 HydrophobicContact CB-CB 4.46Å; A45-L410 HydrophobicContact CB-CD1 4.01Å; A45-L410 HydrophobicContact CB-CD2 4.06Å; A45-L410 HydrophobicContact CB-CG 3.49Å; A45-L410 VanDerWaalsContact CB-CG 3.49Å; A45-V429 PolarHBondContact N-O 3.32Å; A45-L431 PolarHBondContact O-N 3.01Å
46A78.3Confident85.4Confident4 Ų421.7 Ų21.73%0.03317%0.169CC..  trans-155.5164.4168.600000107.9I28 S50 K52I28-A46 HydrophobicContact CB-CB 4.03Å; I28-A46 HydrophobicContact CD1-CB 3.96Å; I28-A46 HydrophobicContact CG1-CB 3.84Å; I28-A46 HydrophobicContact CG2-CB 4.49Å; A46-S50 WeakPolarHBondContact CB-OG 3.19Å; A46-K52 HydrophobicContact CB-CD 4.24Å; A46-K52 HydrophobicContact CB-CG 4.14Å; A46-K52 PolarHBondContact O-NZ 3.06Å
47E69.7Low85.6Confident94 Ų9421.8 Ų21.844%0.43917%0.169SC..  trans-61.1164.6178.2-60.6-173.1158.500112.4S50 K52 K432E47-S50 WeakPolarHBondContact O-CB 3.15Å; E47-S50 PolarHBondContact O-N 3.5Å; E47-S50 PolarHBondContact O-OG 3.22Å; E47-K52 PolarHBondContact O-NZ 2.92Å; E47-K52 VanDerWaalsContact O-NZ 3.13Å; E47-K432 HydrophobicContact CG-CG 4.38Å
48T68.7Low86.1Confident29 Ų2919.5 Ų19.518%0.17816%0.158CC..THydrogen-bonded Turntrans-64.6136.7170.9-51.40000109.3S50 H582T48-S50 VanDerWaalsContact C-N 3.31Å; T48-H582 PolarHBondContact O-CE1 3.43Å; T48-H582 VanDerWaalsContact O-CE1 3.26Å
49G68.5Low86.8Confident58 Ų5816.3 Ų16.360%0.59812%0.124SC*.THydrogen-bonded Turntrans85.6-5.1-178.200000115.1G51G49-G51 PolarHBondContact O-N 2.81Å; G49-G51 VanDerWaalsContact O-N 3.1Å
50S73.8Confident87.4Confident28 Ų2814.1 Ų14.120%0.19610%0.102CC..SBendtrans-66.9-5175570000115T26 I28 A46 E47 T48 K52T26-S50 WeakPolarHBondContact CB-O 3.38Å; T26-S50 WeakPolarHBondContact CG2-O 3.32Å; T26-S50 PolarHBondContact OG1-O 2.72Å; I28-S50 WeakPolarHBondContact CG2-O 3.3Å; A46-S50 WeakPolarHBondContact CB-OG 3.19Å; E47-S50 WeakPolarHBondContact O-CB 3.15Å; E47-S50 PolarHBondContact O-N 3.5Å; E47-S50 PolarHBondContact O-OG 3.22Å; T48-S50 VanDerWaalsContact C-N 3.31Å; S50-K52 WeakPolarHBondContact OG-CG 3.34Å
51G84.6Confident88.3Confident15 Ų1512.7 Ų12.716%0.1559%0.086CC..SBendtrans91.515.8-179.500000115.4Q29 G49 T53 G54 A55Q29-G51 PolarHBondContact NE2-O 3.49Å; Q29-G51 VanDerWaalsContact NE2-O 3.13Å; G49-G51 PolarHBondContact O-N 2.81Å; G49-G51 VanDerWaalsContact O-N 3.1Å; G51-T53 VanDerWaalsContact C-N 3.25Å; G51-T53 PolarHBondContact O-N 3.14Å; G51-G54 WeakPolarHBondContact O-CA 3.32Å; G51-G54 PolarHBondContact O-N 3.49Å; G51-A55 PolarHBondContact O-N 2.84Å
52K89.7Confident88.5Confident10 Ų1013.3 Ų13.34%0.0439%0.089CC..Hα-helixtrans-47.4-43.8175.9-62-163-67.1-93.50113.5I28 A46 E47 S50 G54 A55 F56 C406I28-K52 HydrophobicContact CG1-CG 4.3Å; A46-K52 HydrophobicContact CB-CD 4.24Å; A46-K52 HydrophobicContact CB-CG 4.14Å; A46-K52 PolarHBondContact O-NZ 3.06Å; E47-K52 PolarHBondContact O-NZ 2.92Å; E47-K52 VanDerWaalsContact O-NZ 3.13Å; S50-K52 WeakPolarHBondContact OG-CG 3.34Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.45Å; K52-A55 WeakPolarHBondContact O-CA 3.43Å; K52-A55 VanDerWaalsContact O-CB 3.29Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 2.95Å; K52-F56 WeakPolarHBondContact O-CD1 3.41Å; K52-F56 PolarHBondContact O-N 3.11Å; K52-F56 VanDerWaalsContact O-N 3.16Å; K52-C406 HydrophobicContact CD-CB 4.39Å
53T92.1Very high88.4Confident22 Ų2214.2 Ų14.214%0.1359%0.094CC..Hα-helixtrans-59.2-40.3178.9-47.10000112.2G51 F56 S57 T302 N305G51-T53 VanDerWaalsContact C-N 3.25Å; G51-T53 PolarHBondContact O-N 3.14Å; T53-F56 VanDerWaalsContact CA-CE1 3.47Å; T53-F56 HydrophobicContact CG2-CE1 4.34Å; T53-F56 HydrophobicContact CG2-CZ 3.99Å; T53-S57 WeakPolarHBondContact O-CB 3.17Å; T53-S57 PolarHBondContact O-N 2.84Å; T53-S57 PolarHBondContact O-OG 2.89Å; T53-T302 HydrophobicContact CG2-CG2 4.03Å; T53-N305 HydrophobicContact CG2-CB 3.98Å; T53-N305 WeakPolarHBondContact CG2-ND2 2.95Å
54G93.6Very high88.5Confident0 Ų014.2 Ų14.20%09%0.094CC..Hα-helixtrans-66.9-41.4172.500000112.1G51 K52 F56 S57 I58G51-G54 WeakPolarHBondContact O-CA 3.32Å; G51-G54 PolarHBondContact O-N 3.49Å; K52-G54 VanDerWaalsContact C-N 3.29Å; K52-G54 PolarHBondContact O-N 3.45Å; G54-F56 VanDerWaalsContact C-N 3.33Å; G54-F56 PolarHBondContact O-N 3.03Å; G54-S57 PolarHBondContact O-N 3.29Å; G54-I58 WeakPolarHBondContact O-CB 3.2Å; G54-I58 WeakPolarHBondContact O-CG1 3.41Å; G54-I58 PolarHBondContact O-N 3.48Å; G54-I58 VanDerWaalsContact O-N 3.08Å
55A94.6Very high88.6Confident0 Ų014.5 Ų14.50%010%0.095CC..Hα-helixtrans-56.7-41.2-177.700000113I28 Q29 I33 I36 M44 G51 K52 P59I28-A55 HydrophobicContact CG2-CB 4.4Å; Q29-A55 HydrophobicContact CB-CB 4.49Å; Q29-A55 HydrophobicContact CG-CB 3.94Å; I33-A55 WeakPolarHBondContact CG1-O 3.48Å; I36-A55 WeakPolarHBondContact CD1-O 3.47Å; M44-A55 HydrophobicContact CE-CB 4.41Å; M44-A55 HydrophobicContact SD-CB 4.14Å; G51-A55 PolarHBondContact O-N 2.84Å; K52-A55 WeakPolarHBondContact O-CA 3.43Å; K52-A55 VanDerWaalsContact O-CB 3.29Å; K52-A55 WeakPolarHBondContact O-CB 3.32Å; K52-A55 PolarHBondContact O-N 2.95Å; A55-P59 VanDerWaalsContact O-CD 3.29Å; A55-P59 WeakPolarHBondContact O-CD 3.06Å; A55-P59 VanDerWaalsContact O-CG 3.3Å; A55-P59 WeakPolarHBondContact O-CG 3.25Å
56F96.6Very high88.8Confident0 Ų018.3 Ų18.30%011%0.113CC..Hα-helixtrans-90.9-36.417371.4-102.4000114.5I36 M44 K52 T53 G54 P59 V60 I291 T302 V368 D370 I404 C406I36-F56 HydrophobicContact CD1-CB 4.14Å; M44-F56 HydrophobicContact CE-CB 3.69Å; M44-F56 HydrophobicContact CE-CD1 4.06Å; M44-F56 HydrophobicContact CE-CG 4.38Å; K52-F56 WeakPolarHBondContact O-CD1 3.41Å; K52-F56 PolarHBondContact O-N 3.11Å; K52-F56 VanDerWaalsContact O-N 3.16Å; T53-F56 VanDerWaalsContact CA-CE1 3.47Å; T53-F56 HydrophobicContact CG2-CE1 4.34Å; T53-F56 HydrophobicContact CG2-CZ 3.99Å; G54-F56 VanDerWaalsContact C-N 3.33Å; G54-F56 PolarHBondContact O-N 3.03Å; F56-P59 WeakPolarHBondContact O-CD 3.42Å; F56-P59 WeakPolarHBondContact O-CG 3.26Å; F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.4Å; F56-I291 HydrophobicContact CE2-CD1 4.01Å; F56-I291 HydrophobicContact CE2-CG1 4.31Å; F56-I291 HydrophobicContact CE2-CG2 4.05Å; F56-I291 HydrophobicContact CZ-CG2 4.24Å; F56-T302 HydrophobicContact CE2-CG2 4.24Å; F56-T302 HydrophobicContact CZ-CG2 3.99Å; F56-V368 HydrophobicContact CB-CG1 4.46Å; F56-V368 HydrophobicContact CD1-CG1 4.22Å; F56-V368 HydrophobicContact CD2-CB 4.49Å; F56-V368 HydrophobicContact CD2-CG1 3.74Å; F56-V368 HydrophobicContact CD2-CG2 4.22Å; F56-V368 HydrophobicContact CE1-CG1 4.33Å; F56-V368 HydrophobicContact CE2-CG1 3.93Å; F56-V368 HydrophobicContact CG-CG1 3.91Å; F56-V368 HydrophobicContact CZ-CG1 4.22Å; F56-D370 HydrophobicContact CE1-CB 4.27Å; F56-D370 WeakPolarHBondContact CE1-OD2 3.39Å; F56-D370 HydrophobicContact CZ-CB 4.4Å; F56-I404 HydrophobicContact CB-CG2 3.93Å; F56-C406 WeakPolarHBondContact CD1-SG 3.33Å
57S97.1Very high89.2Confident1 Ų118.8 Ų18.81%0.00712%0.115CC..Hα-helixtrans-71-40.3-170.7-64.50000112T53 G54 V60 I61T53-S57 WeakPolarHBondContact O-CB 3.17Å; T53-S57 PolarHBondContact O-N 2.84Å; T53-S57 PolarHBondContact O-OG 2.89Å; G54-S57 PolarHBondContact O-N 3.29Å; S57-V60 PolarHBondContact O-N 3.39Å; S57-I61 VanDerWaalsContact O-CB 3.27Å; S57-I61 WeakPolarHBondContact O-CB 3.45Å; S57-I61 WeakPolarHBondContact O-CD1 3.24Å; S57-I61 WeakPolarHBondContact O-CG1 3.5Å; S57-I61 PolarHBondContact O-N 3.44Å
58I97Very high90.2Very high0 Ų015 Ų150%010%0.098CC..Hα-helixtrans-56-57-179.7-72168.1000111.6F4 V9 I13 V17 W22 I33 G54 V60 I61 Q62 F309F4-I58 HydrophobicContact CD1-CD1 4.29Å; F4-I58 HydrophobicContact CE1-CD1 3.79Å; V9-I58 HydrophobicContact CB-CG2 4.36Å; V9-I58 HydrophobicContact CG1-CG2 3.69Å; V9-I58 HydrophobicContact CG2-CG2 3.69Å; I13-I58 HydrophobicContact CG2-CB 4.43Å; I13-I58 HydrophobicContact CG2-CG1 4.07Å; I13-I58 HydrophobicContact CG2-CG2 3.91Å; V17-I58 HydrophobicContact CG2-CD1 3.85Å; V17-I58 HydrophobicContact CG2-CG1 4.45Å; W22-I58 HydrophobicContact CZ3-CD1 4.42Å; I33-I58 HydrophobicContact CD1-CB 4.45Å; I33-I58 HydrophobicContact CD1-CD1 4.23Å; I33-I58 HydrophobicContact CD1-CG2 4.34Å; G54-I58 WeakPolarHBondContact O-CB 3.2Å; G54-I58 WeakPolarHBondContact O-CG1 3.41Å; G54-I58 PolarHBondContact O-N 3.48Å; G54-I58 VanDerWaalsContact O-N 3.08Å; I58-V60 PolarHBondContact O-N 2.75Å; I58-I61 PolarHBondContact O-N 2.86Å; I58-Q62 PolarHBondContact O-N 2.99Å; I58-Q62 VanDerWaalsContact O-N 3.11Å; I58-F309 HydrophobicContact CG1-CD1 4.36Å; I58-F309 HydrophobicContact CG1-CD2 4.26Å; I58-F309 HydrophobicContact CG1-CE2 4.49Å; I58-F309 HydrophobicContact CG1-CG 4.2Å
59P96.5Very high91.1Very high0 Ų017 Ų170%010%0.104CC..Hα-helixtrans-68.1-34.4-179.127.1-36.6000112.7I33 I36 L37 A55 F56 Q62 I63I33-P59 HydrophobicContact CG1-CG 4.49Å; I36-P59 HydrophobicContact CB-CB 3.98Å; I36-P59 HydrophobicContact CB-CG 3.72Å; I36-P59 HydrophobicContact CD1-CG 3.98Å; I36-P59 HydrophobicContact CG1-CG 4.45Å; I36-P59 HydrophobicContact CG2-CB 3.7Å; I36-P59 HydrophobicContact CG2-CG 3.58Å; L37-P59 HydrophobicContact CD2-CB 3.63Å; L37-P59 HydrophobicContact CG-CB 3.77Å; A55-P59 VanDerWaalsContact O-CD 3.29Å; A55-P59 WeakPolarHBondContact O-CD 3.06Å; A55-P59 VanDerWaalsContact O-CG 3.3Å; A55-P59 WeakPolarHBondContact O-CG 3.25Å; F56-P59 WeakPolarHBondContact O-CD 3.42Å; F56-P59 WeakPolarHBondContact O-CG 3.26Å; P59-Q62 PolarHBondContact O-N 2.77Å; P59-I63 VanDerWaalsContact O-CG1 3.29Å; P59-I63 WeakPolarHBondContact O-CG1 3.5Å; P59-I63 PolarHBondContact O-N 2.93Å
60V97Very high91.8Very high1 Ų117.8 Ų17.81%0.0069%0.094CC..Hα-helixtrans-63.1-46.4175.2169.10000111.3F56 S57 I58 Q62 I63 V64 A289 F366 V368 I404F56-V60 WeakPolarHBondContact O-CB 3.47Å; F56-V60 WeakPolarHBondContact O-CG2 3.42Å; F56-V60 PolarHBondContact O-N 3.4Å; S57-V60 PolarHBondContact O-N 3.39Å; I58-V60 PolarHBondContact O-N 2.75Å; V60-Q62 VanDerWaalsContact C-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.87Å; V60-I63 PolarHBondContact O-N 2.81Å; V60-V64 HydrophobicContact CG1-CG2 4.24Å; V60-V64 WeakPolarHBondContact O-CB 3.49Å; V60-V64 WeakPolarHBondContact O-CG2 3.23Å; V60-V64 PolarHBondContact O-N 2.85Å; V60-A289 HydrophobicContact CG1-CB 3.58Å; V60-F366 HydrophobicContact CG1-CB 4.4Å; V60-F366 HydrophobicContact CG1-CD2 4.35Å; V60-F366 HydrophobicContact CG1-CG 4.25Å; V60-F366 HydrophobicContact CG2-CB 4.42Å; V60-F366 HydrophobicContact CG2-CD1 3.85Å; V60-F366 HydrophobicContact CG2-CE1 4.31Å; V60-F366 HydrophobicContact CG2-CG 4.14Å; V60-V368 HydrophobicContact CG2-CG2 4.4Å; V60-I404 HydrophobicContact CG2-CD1 3.86Å
61I97.7Very high92.1Very high1 Ų121 Ų211%0.00511%0.106CC..Hα-helixtrans-57.3-47.8177.1-74.5165.9000110.3I13 S57 I58 V64 Y65 I306 F309 K310 I313 L318 I342I13-I61 HydrophobicContact CD1-CB 4.37Å; I13-I61 HydrophobicContact CD1-CG2 3.84Å; I13-I61 HydrophobicContact CG1-CG2 4.42Å; S57-I61 VanDerWaalsContact O-CB 3.27Å; S57-I61 WeakPolarHBondContact O-CB 3.45Å; S57-I61 WeakPolarHBondContact O-CD1 3.24Å; S57-I61 WeakPolarHBondContact O-CG1 3.5Å; S57-I61 PolarHBondContact O-N 3.44Å; I58-I61 PolarHBondContact O-N 2.86Å; I61-V64 PolarHBondContact O-N 2.92Å; I61-Y65 WeakPolarHBondContact O-CB 3.42Å; I61-Y65 PolarHBondContact O-N 2.85Å; I61-I306 HydrophobicContact CD1-CB 4.24Å; I61-I306 HydrophobicContact CD1-CG1 4.2Å; I61-I306 HydrophobicContact CD1-CG2 3.99Å; I61-I306 HydrophobicContact CG1-CG2 4.27Å; I61-F309 HydrophobicContact CD1-CB 3.63Å; I61-F309 HydrophobicContact CD1-CD2 4.12Å; I61-F309 HydrophobicContact CD1-CG 4.39Å; I61-K310 HydrophobicContact CG2-CB 3.98Å; I61-I313 HydrophobicContact CG2-CD1 3.3Å; I61-L318 HydrophobicContact CG2-CD1 3.66Å; I61-I342 HydrophobicContact CG1-CD1 3.95Å
62Q96.7Very high91.9Very high14 Ų1426.1 Ų26.17%0.06513%0.127CC..Hα-helixtrans-59.3-51.8179.5-178.1166.9-42.400111.7G8 M10 I13 I58 P59 V60 V64 Y65 E66G8-Q62 PolarHBondContact O-NE2 2.84Å; M10-Q62 HydrophobicContact CG-CG 4.42Å; M10-Q62 HydrophobicContact SD-CB 4.48Å; M10-Q62 HydrophobicContact SD-CG 4.1Å; I13-Q62 HydrophobicContact CD1-CB 3.81Å; I58-Q62 PolarHBondContact O-N 2.99Å; I58-Q62 VanDerWaalsContact O-N 3.11Å; P59-Q62 PolarHBondContact O-N 2.77Å; V60-Q62 VanDerWaalsContact C-N 3.32Å; V60-Q62 PolarHBondContact O-N 2.87Å; Q62-V64 VanDerWaalsContact C-N 3.34Å; Q62-V64 PolarHBondContact O-N 2.85Å; Q62-Y65 WeakPolarHBondContact O-CB 3.4Å; Q62-Y65 PolarHBondContact O-N 3.17Å; Q62-E66 HydrophobicContact CG-CG 4.42Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.19Å; Q62-E66 PolarHBondContact NE2-OE1 3.41Å; Q62-E66 WeakPolarHBondContact O-CG 3.32Å; Q62-E66 PolarHBondContact O-N 3.2Å
63I92.7Very high91.5Very high20 Ų2029.7 Ų29.710%0.10314%0.143CC..Hα-helixtrans-67.8-36.4-176.4-59.7162.3000111.4L37 P59 V60 T67 F366L37-I63 HydrophobicContact CD2-CD1 4.25Å; L37-I63 HydrophobicContact CD2-CG1 4.18Å; P59-I63 VanDerWaalsContact O-CG1 3.29Å; P59-I63 WeakPolarHBondContact O-CG1 3.5Å; P59-I63 PolarHBondContact O-N 2.93Å; V60-I63 PolarHBondContact O-N 2.81Å; I63-T67 VanDerWaalsContact O-CB 3.31Å; I63-T67 WeakPolarHBondContact O-CB 3.46Å; I63-T67 PolarHBondContact O-N 2.91Å; I63-T67 PolarHBondContact O-OG1 2.91Å; I63-F366 HydrophobicContact CB-CE2 4.06Å; I63-F366 HydrophobicContact CB-CZ 3.62Å; I63-F366 HydrophobicContact CD1-CE1 3.89Å; I63-F366 HydrophobicContact CD1-CZ 3.6Å; I63-F366 HydrophobicContact CG1-CZ 4.22Å; I63-F366 HydrophobicContact CG2-CE2 3.85Å; I63-F366 HydrophobicContact CG2-CZ 3.49Å; I63-F366 VanDerWaalsContact CG2-CZ 3.49Å
64V94.2Very high90Very high0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-63.1-44.7174.4172.80000110.3V60 I61 Q62 T67 L68 K288 A289 L318 D341 I342 F366V60-V64 HydrophobicContact CG1-CG2 4.24Å; V60-V64 WeakPolarHBondContact O-CB 3.49Å; V60-V64 WeakPolarHBondContact O-CG2 3.23Å; V60-V64 PolarHBondContact O-N 2.85Å; I61-V64 PolarHBondContact O-N 2.92Å; Q62-V64 VanDerWaalsContact C-N 3.34Å; Q62-V64 PolarHBondContact O-N 2.85Å; V64-T67 PolarHBondContact O-N 2.94Å; V64-L68 HydrophobicContact CG1-CD1 4.3Å; V64-L68 WeakPolarHBondContact O-CG 3.41Å; V64-L68 PolarHBondContact O-N 2.87Å; V64-K288 HydrophobicContact CG1-CB 4.16Å; V64-K288 HydrophobicContact CG1-CD 4.15Å; V64-K288 HydrophobicContact CG2-CB 4Å; V64-A289 HydrophobicContact CG2-CB 4.04Å; V64-L318 HydrophobicContact CB-CD2 4.25Å; V64-L318 HydrophobicContact CG1-CD2 3.5Å; V64-D341 HydrophobicContact CG1-CB 3.91Å; V64-I342 HydrophobicContact CG1-CD1 4.42Å; V64-I342 HydrophobicContact CG1-CG1 4.06Å; V64-I342 HydrophobicContact CG2-CG1 4.4Å; V64-F366 HydrophobicContact CG2-CD2 4.12Å; V64-F366 HydrophobicContact CG2-CE2 4.14Å
65Y94.9Very high87.7Confident7 Ų734.9 Ų34.93%0.02718%0.179CC..Hα-helixtrans-61-51.4176169.6-106.4000112.2M10 I61 Q62 T67 L68 K69 I313 D314 N315 P316M10-Y65 HydrophobicContact CE-CD1 3.62Å; M10-Y65 HydrophobicContact CE-CE1 3.44Å; M10-Y65 VanDerWaalsContact CE-CE1 3.44Å; M10-Y65 HydrophobicContact SD-CD1 3.99Å; M10-Y65 HydrophobicContact SD-CE1 4.41Å; I61-Y65 WeakPolarHBondContact O-CB 3.42Å; I61-Y65 PolarHBondContact O-N 2.85Å; Q62-Y65 WeakPolarHBondContact O-CB 3.4Å; Q62-Y65 PolarHBondContact O-N 3.17Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 3.39Å; Y65-L68 WeakPolarHBondContact O-CB 3.25Å; Y65-L68 PolarHBondContact O-N 3.01Å; Y65-K69 HydrophobicContact CE1-CD 3.98Å; Y65-K69 WeakPolarHBondContact O-CB 3.38Å; Y65-K69 PolarHBondContact O-N 3.19Å; Y65-K69 PolarHBondContact OH-NZ 2.86Å; Y65-K69 VanDerWaalsContact OH-NZ 3.14Å; Y65-I313 HydrophobicContact CD1-CG2 4.39Å; Y65-I313 HydrophobicContact CD2-CG2 3.16Å; Y65-I313 HydrophobicContact CE2-CG2 3.47Å; Y65-I313 VanDerWaalsContact CE2-CG2 3.47Å; Y65-I313 HydrophobicContact CG-CG2 3.67Å; Y65-D314 WeakPolarHBondContact CE2-O 3.18Å; Y65-D314 PolarHBondContact OH-O 3.2Å; Y65-N315 PolarHBondContact OH-O 3.46Å; Y65-P316 HydrophobicContact CD2-CG 4.42Å; Y65-P316 HydrophobicContact CE2-CG 4.38Å; Y65-P316 WeakPolarHBondContact CE2-O 3.13Å
66E91.2Very high85.3Confident81 Ų8144.6 Ų44.638%0.37922%0.221SC..Hα-helixtrans-56.3-42.9178-72.2171.5176.800111.1Q62 L68 K69 D70Q62-E66 HydrophobicContact CG-CG 4.42Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.19Å; Q62-E66 PolarHBondContact NE2-OE1 3.41Å; Q62-E66 WeakPolarHBondContact O-CG 3.32Å; Q62-E66 PolarHBondContact O-N 3.2Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.77Å; E66-K69 PolarHBondContact O-N 2.85Å; E66-D70 WeakPolarHBondContact O-CB 3.28Å; E66-D70 PolarHBondContact O-N 2.83Å
67T87.3Confident82.7Confident13 Ų1346 Ų468%0.0824%0.236CC..Hα-helixtrans-61.2-41.1176.3-58.30000112I63 V64 Y65 Q71 K288I63-T67 VanDerWaalsContact O-CB 3.31Å; I63-T67 WeakPolarHBondContact O-CB 3.46Å; I63-T67 PolarHBondContact O-N 2.91Å; I63-T67 PolarHBondContact O-OG1 2.91Å; V64-T67 PolarHBondContact O-N 2.94Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 3.39Å; T67-Q71 VanDerWaalsContact O-CG 3.23Å; T67-Q71 WeakPolarHBondContact O-CG 3.39Å; T67-Q71 PolarHBondContact O-N 2.89Å; T67-K288 HydrophobicContact CG2-CD 3.78Å
68L89.1Confident79.5Confident14 Ų1454.2 Ų54.27%0.07327%0.271CS..Hα-helixtrans-70.7-39.9177.6-70.9168.9000112V64 Y65 E66 Q71 Q72 K288 P316 L318 D341V64-L68 HydrophobicContact CG1-CD1 4.3Å; V64-L68 WeakPolarHBondContact O-CG 3.41Å; V64-L68 PolarHBondContact O-N 2.87Å; Y65-L68 WeakPolarHBondContact O-CB 3.25Å; Y65-L68 PolarHBondContact O-N 3.01Å; E66-L68 VanDerWaalsContact C-N 3.34Å; E66-L68 PolarHBondContact O-N 2.77Å; L68-Q71 WeakPolarHBondContact O-CB 3.26Å; L68-Q71 PolarHBondContact O-N 3.37Å; L68-Q72 PolarHBondContact O-N 3.1Å; L68-K288 HydrophobicContact CG-CD 4.47Å; L68-P316 HydrophobicContact CB-CB 4.43Å; L68-P316 HydrophobicContact CB-CG 3.46Å; L68-P316 VanDerWaalsContact CB-CG 3.46Å; L68-L318 HydrophobicContact CD1-CD2 3.52Å; L68-D341 HydrophobicContact CD1-CB 4.07Å; L68-D341 VanDerWaalsContact CD1-CG 3.47Å; L68-D341 WeakPolarHBondContact CD1-OD1 3.47Å; L68-D341 WeakPolarHBondContact CD2-OD1 3.2Å
69K87.8Confident76.3Confident71 Ų7158.8 Ų58.831%0.30930%0.299SS..Hα-helixtrans-62.4-44.9178.2-169.2174.6-168.5161.70111.3Y65 E66 Q71 Q72 E73Y65-K69 HydrophobicContact CE1-CD 3.98Å; Y65-K69 WeakPolarHBondContact O-CB 3.38Å; Y65-K69 PolarHBondContact O-N 3.19Å; Y65-K69 PolarHBondContact OH-NZ 2.86Å; Y65-K69 VanDerWaalsContact OH-NZ 3.14Å; E66-K69 PolarHBondContact O-N 2.85Å; K69-Q71 VanDerWaalsContact C-N 3.29Å; K69-Q71 PolarHBondContact O-N 2.85Å; K69-Q72 PolarHBondContact O-N 3.09Å; K69-E73 WeakPolarHBondContact CE-OE1 3.16Å; K69-E73 HydrophobicContact CG-CG 4.45Å; K69-E73 WeakPolarHBondContact O-CG 3.33Å; K69-E73 PolarHBondContact O-N 2.86Å
70D83Confident73Confident75 Ų7564 Ų6440%0.40133%0.331SS..Hα-helixtrans-58.8-41.4174.1-80.5-17.9000111.8E66 K75E66-D70 WeakPolarHBondContact O-CB 3.28Å; E66-D70 PolarHBondContact O-N 2.83Å; D70-K75 CarbonylContact O-C 3.59Å; D70-K75 PolarHBondContact O-N 2.96Å
71Q81.1Confident70Confident95 Ų9569 Ų6944%0.44436%0.357SS..Hα-helixtrans-64.7-44.2175.4-72.2176.1-9.700112.4T67 L68 K69 G74T67-Q71 VanDerWaalsContact O-CG 3.23Å; T67-Q71 WeakPolarHBondContact O-CG 3.39Å; T67-Q71 PolarHBondContact O-N 2.89Å; L68-Q71 WeakPolarHBondContact O-CB 3.26Å; L68-Q71 PolarHBondContact O-N 3.37Å; K69-Q71 VanDerWaalsContact C-N 3.29Å; K69-Q71 PolarHBondContact O-N 2.85Å; Q71-G74 PolarHBondContact O-N 3.2Å
72Q81.2Confident67Low124 Ų12476 Ų7658%0.57939%0.387SS*.Hα-helixtrans-68.6-43.2-177.7-176.4-179.65.900112.7L68 K69 G74L68-Q72 PolarHBondContact O-N 3.1Å; K69-Q72 PolarHBondContact O-N 3.09Å; Q72-G74 PolarHBondContact O-N 3.02Å
73E79.3Confident64.3Low85 Ų8578.8 Ų78.840%0.39741%0.405SS..THydrogen-bonded Turntrans-69.71.3-178.6-69.4-178.8177.800112.7K69 K75K69-E73 WeakPolarHBondContact CE-OE1 3.16Å; K69-E73 HydrophobicContact CG-CG 4.45Å; K69-E73 WeakPolarHBondContact O-CG 3.33Å; K69-E73 PolarHBondContact O-N 2.86Å; E73-K75 HydrophobicContact CB-CB 4.32Å; E73-K75 HydrophobicContact CB-CD 4.34Å; E73-K75 HydrophobicContact CB-CG 3.77Å; E73-K75 PolarHBondContact O-N 3.35Å; E73-K75 WeakPolarHBondContact OE2-CD 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.42Å; E73-K75 IonicContact OE2-NZ 3.76Å; E73-K75 PolarHBondContact OE2-NZ 3.15Å
74G62.5Low62.2Low52 Ų5278.2 Ų78.254%0.53640%0.404SS..THydrogen-bonded Turntrans56.218-17000000111.2Q71 Q72 K76Q71-G74 PolarHBondContact O-N 3.2Å; Q72-G74 PolarHBondContact O-N 3.02Å; G74-K76 PolarHBondContact O-N 2.74Å
75K44.6Very low60.4Low79 Ų7980 Ų8034%0.34342%0.419SS..  trans-65.491.8167.6-74.5-168174.2147.30104.3D70 E73 G77 K78D70-K75 CarbonylContact O-C 3.59Å; D70-K75 PolarHBondContact O-N 2.96Å; E73-K75 HydrophobicContact CB-CB 4.32Å; E73-K75 HydrophobicContact CB-CD 4.34Å; E73-K75 HydrophobicContact CB-CG 3.77Å; E73-K75 PolarHBondContact O-N 3.35Å; E73-K75 WeakPolarHBondContact OE2-CD 3.17Å; E73-K75 WeakPolarHBondContact OE2-CE 3.42Å; E73-K75 IonicContact OE2-NZ 3.76Å; E73-K75 PolarHBondContact OE2-NZ 3.15Å; K75-G77 PolarHBondContact O-N 2.8Å; K75-K78 HydrophobicContact CB-CB 4.34Å; K75-K78 HydrophobicContact CD-CB 4.27Å; K75-K78 HydrophobicContact CG-CB 3.86Å; K75-K78 HydrophobicContact CG-CD 4.33Å; K75-K78 HydrophobicContact CG-CG 4.22Å
76K44.6Very low59Low203 Ų20382.8 Ų82.888%0.88344%0.439SS*.SBendtrans-60.653.6155.4-66.7-175.4174.3-177.40108.7G74G74-K76 PolarHBondContact O-N 2.74Å
77G40.9Very low58.2Low30 Ų3080.1 Ų80.131%0.30943%0.428SS..  trans40.581.8-152.600000111K75 T79 T80K75-G77 PolarHBondContact O-N 2.8Å; G77-T79 CarbonylContact C-O 3.56Å; G77-T79 CarbonylContact O-C 3.57Å; G77-T79 PolarHBondContact O-N 3.5Å; G77-T79 VanDerWaalsContact O-O 3.05Å; G77-T80 PolarHBondContact O-N 3.39Å; G77-T80 VanDerWaalsContact O-N 3.08Å
78K29.5Very low57.9Low174 Ų17480 Ų8076%0.75743%0.428SS*.SBendtrans-62.7-7171.6-93.7-174.7171.8173.40113K75K75-K78 HydrophobicContact CB-CB 4.34Å; K75-K78 HydrophobicContact CD-CB 4.27Å; K75-K78 HydrophobicContact CG-CB 3.86Å; K75-K78 HydrophobicContact CG-CD 4.33Å; K75-K78 HydrophobicContact CG-CG 4.22Å
79T30.1Very low57.7Low95 Ų9583.7 Ų83.758%0.58345%0.447SS*.SBendtrans-87.198.3144.312.20000107.7G77 I81G77-T79 CarbonylContact C-O 3.56Å; G77-T79 CarbonylContact O-C 3.57Å; G77-T79 PolarHBondContact O-N 3.5Å; G77-T79 VanDerWaalsContact O-O 3.05Å; T79-I81 HydrophobicContact CG2-CD1 4.07Å; T79-I81 HydrophobicContact CG2-CG1 3.66Å; T79-I81 PolarHBondContact O-N 2.73Å
80T28.7Very low57.7Low109 Ų10986.3 Ų86.367%0.66946%0.459SS*.  trans-61.266.9138-41.70000105.8G77 K82G77-T80 PolarHBondContact O-N 3.39Å; G77-T80 VanDerWaalsContact O-N 3.08Å; T80-K82 HydrophobicContact CG2-CG 3.77Å; T80-K82 PolarHBondContact O-N 3.39Å
81I32.4Very low58.3Low108 Ų10883.3 Ų83.355%0.55444%0.442SS*.  trans-61.2104.3148.8-61.1147.600099.5T79 T83T79-I81 HydrophobicContact CG2-CD1 4.07Å; T79-I81 HydrophobicContact CG2-CG1 3.66Å; T79-I81 PolarHBondContact O-N 2.73Å; I81-T83 HydrophobicContact CB-CG2 3.9Å; I81-T83 HydrophobicContact CG2-CG2 3.24Å; I81-T83 PolarHBondContact O-N 2.8Å
82K36.1Very low58.9Low147 Ų14780.1 Ų80.164%0.63943%0.427SS*.THydrogen-bonded Turntrans-64.154.1164.6-62.7178.4176.71750107.2T80 G84 A85 S86T80-K82 HydrophobicContact CG2-CG 3.77Å; T80-K82 PolarHBondContact O-N 3.39Å; K82-G84 PolarHBondContact O-N 3.21Å; K82-A85 HydrophobicContact CB-CB 3.66Å; K82-A85 HydrophobicContact CD-CB 4.05Å; K82-A85 HydrophobicContact CG-CB 4.32Å; K82-A85 PolarHBondContact O-N 2.82Å; K82-S86 PolarHBondContact O-N 3.43Å; K82-S86 PolarHBondContact O-OG 3.13Å
83T40.1Very low59.5Low73 Ų7374.2 Ų74.245%0.44840%0.399SS..Hα-helixtrans-52.7-40.716946.10000106.7I81 A85 S86 V87I81-T83 HydrophobicContact CB-CG2 3.9Å; I81-T83 HydrophobicContact CG2-CG2 3.24Å; I81-T83 PolarHBondContact O-N 2.8Å; T83-A85 PolarHBondContact O-N 2.91Å; T83-S86 PolarHBondContact O-N 2.82Å; T83-S86 PolarHBondContact O-OG 3.49Å; T83-V87 WeakPolarHBondContact O-CB 3.42Å; T83-V87 WeakPolarHBondContact O-CG2 3.27Å; T83-V87 PolarHBondContact O-N 3.18Å
84G47.7Very low60.1Low7 Ų770.2 Ų70.27%0.07238%0.38CS..Hα-helixtrans-54.4-49.1170.600000114.5K82 V87 L88 Y96K82-G84 PolarHBondContact O-N 3.21Å; G84-V87 WeakPolarHBondContact O-CB 3.44Å; G84-L88 WeakPolarHBondContact O-CG 3.35Å; G84-L88 PolarHBondContact O-N 2.97Å; G84-Y96 WeakPolarHBondContact CA-OH 3.38Å; G84-Y96 PolarHBondContact N-OH 3.35Å
85A56Low61.1Low38 Ų3869.1 Ų69.131%0.31436%0.364SS..Hα-helixtrans-77.2-28.8-178.200000113.4K82 T83 L88 N89K82-A85 HydrophobicContact CB-CB 3.66Å; K82-A85 HydrophobicContact CD-CB 4.05Å; K82-A85 HydrophobicContact CG-CB 4.32Å; K82-A85 PolarHBondContact O-N 2.82Å; T83-A85 PolarHBondContact O-N 2.91Å; A85-L88 WeakPolarHBondContact O-CB 3.2Å; A85-L88 PolarHBondContact O-N 3.24Å; A85-N89 PolarHBondContact O-N 2.82Å; A85-N89 PolarHBondContact O-OD1 3.24Å
86S66.8Low63.1Low65 Ų6568.5 Ų68.546%0.45536%0.36SS..Hα-helixtrans-69.3-40175.264.50000111.2K82 T83 L88 N89K82-S86 PolarHBondContact O-N 3.43Å; K82-S86 PolarHBondContact O-OG 3.13Å; T83-S86 PolarHBondContact O-N 2.82Å; T83-S86 PolarHBondContact O-OG 3.49Å; S86-L88 PolarHBondContact O-N 3.14Å; S86-N89 VanDerWaalsContact O-CB 3.31Å; S86-N89 WeakPolarHBondContact O-CB 3.39Å; S86-N89 PolarHBondContact O-N 3.14Å
87V72.7Confident65.3Low25 Ų2559.1 Ų59.115%0.15232%0.319CS..Hα-helixtrans-53-42.1168.91610000110.4T83 G84 N89 K90 P95 Y96 T125T83-V87 WeakPolarHBondContact O-CB 3.42Å; T83-V87 WeakPolarHBondContact O-CG2 3.27Å; T83-V87 PolarHBondContact O-N 3.18Å; G84-V87 WeakPolarHBondContact O-CB 3.44Å; V87-N89 PolarHBondContact O-N 2.98Å; V87-K90 PolarHBondContact O-N 3.16Å; V87-P95 HydrophobicContact CG1-CG 3.91Å; V87-Y96 HydrophobicContact CG1-CE2 4.21Å; V87-T125 HydrophobicContact CG1-CG2 3.8Å
88L81.8Confident67.7Low12 Ų1259.9 Ų59.96%0.06331%0.313CS..THydrogen-bonded Turntrans-69.1-9.6176.4-63.1-178.7000115.1G84 A85 S86 T125 K126 K268 S269G84-L88 WeakPolarHBondContact O-CG 3.35Å; G84-L88 PolarHBondContact O-N 2.97Å; A85-L88 WeakPolarHBondContact O-CB 3.2Å; A85-L88 PolarHBondContact O-N 3.24Å; S86-L88 PolarHBondContact O-N 3.14Å; L88-T125 HydrophobicContact CD2-CG2 4.02Å; L88-K126 WeakPolarHBondContact O-CE 3.36Å; L88-K268 HydrophobicContact CB-CD 4.44Å; L88-S269 WeakPolarHBondContact CD1-O 3.43Å
89N85.4Confident70.4Confident90 Ų9052.2 Ų52.248%0.48128%0.283SS..THydrogen-bonded Turntrans-86.7-15.5176.5-64.9-28.1000113A85 S86 V87 K126 K268A85-N89 PolarHBondContact O-N 2.82Å; A85-N89 PolarHBondContact O-OD1 3.24Å; S86-N89 VanDerWaalsContact O-CB 3.31Å; S86-N89 WeakPolarHBondContact O-CB 3.39Å; S86-N89 PolarHBondContact O-N 3.14Å; V87-N89 PolarHBondContact O-N 2.98Å; N89-K126 VanDerWaalsContact C-CE 3.48Å; N89-K126 VanDerWaalsContact O-CE 3.28Å; N89-K126 WeakPolarHBondContact O-CE 3.3Å; N89-K126 PolarHBondContact O-NZ 3.26Å; N89-K268 PolarHBondContact OD1-NZ 3.25Å
90K88.2Confident72.8Confident127 Ų12751.3 Ų51.355%0.55228%0.281SS*.SBendtrans-103.4154177.8-65.4-171.7177.6-171.70111.3V87 Q92 T125V87-K90 PolarHBondContact O-N 3.16Å; K90-Q92 HydrophobicContact CB-CG 4.29Å; K90-Q92 PolarHBondContact O-N 2.77Å; K90-T125 PolarHBondContact O-OG1 2.64Å
91W94Very high75.3Confident12 Ų1246.3 Ų46.35%0.04525%0.251CS..SBendtrans-80103167.5-82.1102.9000108.4K126 P229 F242 L258 A261 I266W91-K126 HydrophobicContact CD2-CB 4.07Å; W91-K126 HydrophobicContact CD2-CD 3.91Å; W91-K126 HydrophobicContact CE3-CB 3.8Å; W91-K126 HydrophobicContact CE3-CD 4.47Å; W91-K126 HydrophobicContact CG-CD 4.16Å; W91-K126 HydrophobicContact CH2-CB 3.61Å; W91-K126 HydrophobicContact CZ2-CB 3.91Å; W91-K126 HydrophobicContact CZ2-CD 4.2Å; W91-K126 HydrophobicContact CZ3-CB 3.56Å; W91-K126 VanDerWaalsContact CZ3-O 3.26Å; W91-K126 WeakPolarHBondContact CZ3-O 3.1Å; W91-P229 HydrophobicContact CZ3-CG 4.33Å; W91-F242 HydrophobicContact CB-CB 3.81Å; W91-F242 HydrophobicContact CB-CD2 3.89Å; W91-F242 HydrophobicContact CB-CG 4.03Å; W91-F242 HydrophobicContact CE3-CD1 4.42Å; W91-F242 HydrophobicContact CE3-CG 4.37Å; W91-F242 HydrophobicContact CG-CB 4.35Å; W91-F242 WeakPolarHBondContact O-CD2 3.25Å; W91-L258 HydrophobicContact CD2-CB 4.41Å; W91-L258 VanDerWaalsContact CE2-O 3.31Å; W91-L258 HydrophobicContact CE3-CB 4.33Å; W91-L258 HydrophobicContact CE3-CD1 4.37Å; W91-L258 HydrophobicContact CH2-CB 4.32Å; W91-L258 HydrophobicContact CH2-CD1 4.38Å; W91-L258 HydrophobicContact CH2-CD2 3.75Å; W91-L258 HydrophobicContact CH2-CG 4.42Å; W91-L258 HydrophobicContact CZ2-CB 4.36Å; W91-L258 HydrophobicContact CZ2-CD2 4.26Å; W91-L258 WeakPolarHBondContact CZ2-O 3.4Å; W91-L258 HydrophobicContact CZ3-CB 4.29Å; W91-L258 HydrophobicContact CZ3-CD1 3.92Å; W91-L258 HydrophobicContact CZ3-CD2 4.13Å; W91-L258 HydrophobicContact CZ3-CG 4.39Å; W91-L258 PolarHBondContact NE1-O 3.09Å; W91-A261 HydrophobicContact CZ2-CB 4.49Å; W91-I266 HydrophobicContact CZ2-CD1 4.01Å; W91-I266 HydrophobicContact CZ2-CG1 4.06Å
92Q94.2Very high77.9Confident28 Ų2841.3 Ų41.313%0.13123%0.225CC..SBendtrans-156.5171.3-178.661.5-179.965.800109.6K90 G108 A124 T125K90-Q92 HydrophobicContact CB-CG 4.29Å; K90-Q92 PolarHBondContact O-N 2.77Å; Q92-G108 WeakPolarHBondContact CB-O 3.39Å; Q92-A124 WeakPolarHBondContact O-CA 3.48Å; Q92-A124 WeakPolarHBondContact O-CB 3.27Å; Q92-T125 HydrophobicContact CG-CG2 3.69Å; Q92-T125 PolarHBondContact N-OG1 3.27Å; Q92-T125 PolarHBondContact O-N 2.83Å; Q92-T125 PolarHBondContact O-OG1 3.33Å; Q92-T125 VanDerWaalsContact O-OG1 3.13Å
93M94.3Very high80.1Confident0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-73.8143.7172.4-61.7-58.8-68.400110P95 I104 G108 C111 C122 A124 F240 F242M93-P95 VanDerWaalsContact O-CD 3.28Å; M93-P95 WeakPolarHBondContact O-CD 3.35Å; M93-I104 HydrophobicContact CB-CD1 3.83Å; M93-I104 HydrophobicContact CB-CG1 4.31Å; M93-I104 HydrophobicContact CB-CG2 4.21Å; M93-G108 PolarHBondContact N-O 3.38Å; M93-C111 WeakPolarHBondContact CG-SG 3.46Å; M93-C122 HydrophobicContact CE-CB 3.93Å; M93-A124 HydrophobicContact SD-CB 4.06Å; M93-F240 HydrophobicContact CE-CE1 4.27Å; M93-F240 HydrophobicContact CE-CE2 4.04Å; M93-F240 HydrophobicContact CE-CZ 3.77Å; M93-F240 HydrophobicContact CG-CD2 3.85Å; M93-F240 HydrophobicContact CG-CE2 4.02Å; M93-F240 HydrophobicContact CG-CG 4.17Å; M93-F240 HydrophobicContact CG-CZ 4.47Å; M93-F240 HydrophobicContact SD-CD1 3.99Å; M93-F240 HydrophobicContact SD-CD2 4.11Å; M93-F240 HydrophobicContact SD-CE1 3.83Å; M93-F240 HydrophobicContact SD-CE2 3.97Å; M93-F240 HydrophobicContact SD-CG 4.12Å; M93-F240 HydrophobicContact SD-CZ 3.81Å; M93-F242 HydrophobicContact SD-CE2 4.45Å; M93-F242 HydrophobicContact SD-CZ 3.82Å
94N92.5Very high82.2Confident0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-91111.4-169.2-171.8-7.4000111.3Y96 D97 C122 R123 T125 S269 H271N94-Y96 PolarHBondContact O-N 3.28Å; N94-Y96 VanDerWaalsContact OD1-CD2 3.3Å; N94-Y96 WeakPolarHBondContact OD1-CD2 3.39Å; N94-Y96 PolarHBondContact OD1-N 2.94Å; N94-D97 HydrophobicContact CB-CB 3.89Å; N94-D97 PolarHBondContact O-N 2.72Å; N94-D97 VanDerWaalsContact O-N 3.07Å; N94-C122 PolarHBondContact O-SG 3.29Å; N94-R123 WeakPolarHBondContact CA-O 3.47Å; N94-R123 WeakPolarHBondContact CB-O 3.38Å; N94-R123 PolarHBondContact N-O 2.85Å; N94-T125 HydrophobicContact CB-CG2 3.9Å; N94-S269 PolarHBondContact ND2-OG 2.88Å; N94-H271 PolarHBondContact ND2-O 3.3Å; N94-H271 PolarHBondContact OD1-O 3.45Å
95P83.1Confident83.5Confident30 Ų3032.8 Ų32.820%0.19519%0.186CC..EExtended strand (participates in β ladder)trans-65.5-11.1179.128.5-35.7000113.8V87 M93 R98 I104V87-P95 HydrophobicContact CG1-CG 3.91Å; M93-P95 VanDerWaalsContact O-CD 3.28Å; M93-P95 WeakPolarHBondContact O-CD 3.35Å; P95-R98 WeakPolarHBondContact O-CD 3.41Å; P95-R98 PolarHBondContact O-NE 2.9Å; P95-I104 HydrophobicContact CB-CD1 4.25Å
96Y85.2Confident84.3Confident66 Ų6637.6 Ų37.626%0.25922%0.217SC..EExtended strand (participates in β ladder)trans-104.4-0.8178.3-46.6-67.3000113.5G84 V87 N94 G273G84-Y96 WeakPolarHBondContact CA-OH 3.38Å; G84-Y96 PolarHBondContact N-OH 3.35Å; V87-Y96 HydrophobicContact CG1-CE2 4.21Å; N94-Y96 PolarHBondContact O-N 3.28Å; N94-Y96 VanDerWaalsContact OD1-CD2 3.3Å; N94-Y96 WeakPolarHBondContact OD1-CD2 3.39Å; N94-Y96 PolarHBondContact OD1-N 2.94Å; Y96-G273 VanDerWaalsContact CD2-N 3.31Å
97D91.2Very high84.9Confident6 Ų637.8 Ų37.83%0.03221%0.213CC..EExtended strand (participates in β ladder)trans-131.563.2-179.2-159.9-3.6000109.8N94 C122 R123 H271N94-D97 HydrophobicContact CB-CB 3.89Å; N94-D97 PolarHBondContact O-N 2.72Å; N94-D97 VanDerWaalsContact O-N 3.07Å; D97-C122 VanDerWaalsContact O-CA 3.28Å; D97-C122 WeakPolarHBondContact O-CA 3.32Å; D97-C122 PolarHBondContact O-SG 3.01Å; D97-C122 VanDerWaalsContact O-SG 3.36Å; D97-R123 HydrophobicContact CB-CB 4.45Å; D97-R123 PolarHBondContact O-N 2.8Å; D97-R123 IonicContact OD1-CZ 3.28Å; D97-R123 IonicContact OD1-NE 3.31Å; D97-R123 PolarHBondContact OD1-NE 3.36Å; D97-R123 IonicContact OD1-NH2 3.33Å; D97-R123 PolarHBondContact OD1-NH2 3.39Å; D97-R123 IonicContact OD2-CZ 3.71Å; D97-R123 IonicContact OD2-NE 3.13Å; D97-R123 PolarHBondContact OD2-NE 3.38Å; D97-R123 IonicContact OD2-NH2 2.66Å; D97-H271 HydrophobicContact CB-CB 3.83Å; D97-H271 IonicContact OD1-CE1 3.2Å; D97-H271 IonicContact OD1-ND1 3.67Å; D97-H271 IonicContact OD2-CE1 3.45Å; D97-H271 IonicContact OD2-CG 2.76Å; D97-H271 IonicContact OD2-ND1 2.69Å; D97-H271 PolarHBondContact OD2-ND1 2.92Å
98R91.1Very high85.5Confident45 Ų4536.7 Ų36.717%0.1721%0.207CC..EExtended strand (participates in β ladder)trans-148.1156.7-171.469.2179.4173170.8-5.2112.7P95 F102 G121 C122 L156 G398P95-R98 WeakPolarHBondContact O-CD 3.41Å; P95-R98 PolarHBondContact O-NE 2.9Å; R98-F102 HydrophobicContact CB-CB 4.03Å; R98-F102 HydrophobicContact CB-CD1 4.16Å; R98-F102 HydrophobicContact CB-CG 4.26Å; R98-F102 WeakPolarHBondContact CD-O 3.44Å; R98-F102 HydrophobicContact CG-CB 4.48Å; R98-F102 PolarHBondContact NH1-O 2.9Å; R98-F102 VanDerWaalsContact NH1-O 3.15Å; R98-G121 CarbonylContact C-O 3.59Å; R98-G121 WeakPolarHBondContact CA-O 3.4Å; R98-C122 HydrophobicContact CB-CB 3.85Å; R98-L156 VanDerWaalsContact C-CD1 3.41Å; R98-G398 PolarHBondContact NH2-O 2.98Å
99G86.5Confident86.1Confident13 Ų1337.2 Ų37.213%0.13421%0.21CC..  trans-67.6159.2172.600000111.9A101 F102 G121G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 2.8Å; G99-F102 WeakPolarHBondContact O-CB 3.34Å; G99-F102 PolarHBondContact O-N 3.39Å; G99-F102 VanDerWaalsContact O-N 3.1Å; G99-G121 PolarHBondContact N-O 2.82Å
100S80.9Confident86.3Confident76 Ų7633.8 Ų33.853%0.53119%0.193SC..THydrogen-bonded Turntrans-58.8-36-176.5480000114.4H120 Q393 V394S100-H120 PolarHBondContact OG-CE1 2.82Å; S100-Q393 VanDerWaalsContact O-CB 3.3Å; S100-Q393 WeakPolarHBondContact O-CB 3.47Å; S100-V394 WeakPolarHBondContact O-CG2 3.47Å
101A80.7Confident86.5Confident5 Ų527.8 Ų27.84%0.04117%0.166CC..THydrogen-bonded Turntrans-103.829.9177.300000112.7G99 S113 E115 H120G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 2.8Å; A101-S113 WeakPolarHBondContact O-CB 3.38Å; A101-S113 PolarHBondContact O-OG 2.73Å; A101-E115 HydrophobicContact CB-CG 3.55Å; A101-H120 PolarHBondContact N-ND1 3.4Å
102F88Confident86.4Confident3 Ų327.3 Ų27.31%0.01317%0.165CC..  trans-101.1116.4175.9-162.2-79.3000111R98 G99 I104 C111 H120 C122 C231 L233R98-F102 HydrophobicContact CB-CB 4.03Å; R98-F102 HydrophobicContact CB-CD1 4.16Å; R98-F102 HydrophobicContact CB-CG 4.26Å; R98-F102 WeakPolarHBondContact CD-O 3.44Å; R98-F102 HydrophobicContact CG-CB 4.48Å; R98-F102 PolarHBondContact NH1-O 2.9Å; R98-F102 VanDerWaalsContact NH1-O 3.15Å; G99-F102 WeakPolarHBondContact O-CB 3.34Å; G99-F102 PolarHBondContact O-N 3.39Å; G99-F102 VanDerWaalsContact O-N 3.1Å; F102-I104 HydrophobicContact CD1-CG1 3.98Å; F102-I104 HydrophobicContact CE1-CG1 3.92Å; F102-C111 HydrophobicContact CE1-CB 3.63Å; F102-C111 HydrophobicContact CZ-CB 3.53Å; F102-H120 HydrophobicContact CB-CB 4.14Å; F102-H120 HydrophobicContact CD2-CB 4.26Å; F102-H120 VanDerWaalsContact CD2-O 3.23Å; F102-H120 WeakPolarHBondContact CD2-O 3.25Å; F102-C122 HydrophobicContact CD1-CB 3.56Å; F102-C122 HydrophobicContact CD2-CB 4.08Å; F102-C122 HydrophobicContact CE1-CB 3.23Å; F102-C122 HydrophobicContact CE2-CB 3.76Å; F102-C122 HydrophobicContact CG-CB 3.97Å; F102-C122 HydrophobicContact CZ-CB 3.33Å; F102-C231 VanDerWaalsContact CZ-SG 3.54Å; F102-L233 HydrophobicContact CD2-CD1 4.33Å; F102-L233 HydrophobicContact CE2-CB 4.4Å; F102-L233 HydrophobicContact CE2-CD1 3.59Å; F102-L233 HydrophobicContact CE2-CG 3.74Å; F102-L233 HydrophobicContact CZ-CD1 3.87Å; F102-L233 HydrophobicContact CZ-CG 4.37Å
103A81.6Confident86.2Confident3 Ų326 Ų263%0.02516%0.159CC..EExtended strand (participates in β ladder)trans-91.7144.8176.100000111.1C111 Q112 H424 F425A103-C111 WeakPolarHBondContact O-CA 3.45Å; A103-Q112 HydrophobicContact CB-CB 4.14Å; A103-Q112 WeakPolarHBondContact CB-O 3.34Å; A103-Q112 PolarHBondContact N-O 3.34Å; A103-Q112 PolarHBondContact O-N 3.44Å; A103-H424 HydrophobicContact CB-CB 3.71Å; A103-H424 WeakPolarHBondContact CB-CD2 3.45Å; A103-F425 HydrophobicContact CB-CD2 4.24Å; A103-F425 HydrophobicContact CB-CE2 3.76Å
104I84.5Confident85.7Confident29 Ų2928 Ų2815%0.14917%0.166CC..EExtended strand (participates in β ladder)trans-127.2128.5167.2-53175000105.7M93 P95 F102 C110M93-I104 HydrophobicContact CB-CD1 3.83Å; M93-I104 HydrophobicContact CB-CG1 4.31Å; M93-I104 HydrophobicContact CB-CG2 4.21Å; P95-I104 HydrophobicContact CB-CD1 4.25Å; F102-I104 HydrophobicContact CD1-CG1 3.98Å; F102-I104 HydrophobicContact CE1-CG1 3.92Å; I104-C110 CarbonylContact C-O 3.56Å; I104-C110 VanDerWaalsContact CA-O 3.3Å; I104-C110 WeakPolarHBondContact CA-O 3.16Å
105G73.8Confident85.2Confident15 Ų1530.7 Ų30.716%0.15518%0.179CC..  trans-62.7167.9176.300000112D107 G108 C110G105-D107 PolarHBondContact O-N 2.86Å; G105-G108 PolarHBondContact O-N 3.38Å; G105-C110 PolarHBondContact N-O 2.88Å
106S74Confident85.2Confident139 Ų13933.9 Ų33.997%0.97220%0.197SC*.THydrogen-bonded Turntrans-62.3-26.1-179.651.90000113.3G108S106-G108 PolarHBondContact O-N 2.81Å
107D79.3Confident85.2Confident69 Ų6938.9 Ų38.937%0.36922%0.221SC..THydrogen-bonded Turntrans-71.1-14.4173.368.7-5.2000113.6G105 L109 C110G105-D107 PolarHBondContact O-N 2.86Å; D107-L109 PolarHBondContact O-N 2.83Å; D107-L109 PolarHBondContact OD1-N 2.8Å; D107-C110 PolarHBondContact OD1-N 2.95Å; D107-C110 PolarHBondContact OD2-SG 2.94Å
108G85.8Confident85.1Confident3 Ų344.2 Ų44.23%0.03125%0.245CC..SBendtrans76.11.7-175.400000114.6Q92 M93 G105 S106Q92-G108 WeakPolarHBondContact CB-O 3.39Å; M93-G108 PolarHBondContact N-O 3.38Å; G105-G108 PolarHBondContact O-N 3.38Å; S106-G108 PolarHBondContact O-N 2.81Å
109L92.8Very high85.3Confident22 Ų2246 Ų4612%0.11525%0.252CS..  trans-118.7-32.8-169.9-64.8177.9000112.7D107 F240 F242D107-L109 PolarHBondContact O-N 2.83Å; D107-L109 PolarHBondContact OD1-N 2.8Å; L109-F240 WeakPolarHBondContact CB-O 3.32Å; L109-F240 HydrophobicContact CD2-CB 4.3Å; L109-F240 WeakPolarHBondContact O-CD2 3.47Å; L109-F240 PolarHBondContact O-N 2.92Å; L109-F242 HydrophobicContact CD2-CD2 3.58Å; L109-F242 HydrophobicContact CD2-CE2 3.67Å
110C90.3Very high85.7Confident19 Ų1946 Ų4613%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-77.8129.2172.2-66.10000109.9I104 G105 D107 L238 F425I104-C110 CarbonylContact C-O 3.56Å; I104-C110 VanDerWaalsContact CA-O 3.3Å; I104-C110 WeakPolarHBondContact CA-O 3.16Å; G105-C110 PolarHBondContact N-O 2.88Å; D107-C110 PolarHBondContact OD1-N 2.95Å; D107-C110 PolarHBondContact OD2-SG 2.94Å; C110-L238 CarbonylContact C-O 3.6Å; C110-F425 HydrophobicContact CB-CE1 3.97Å; C110-F425 HydrophobicContact CB-CZ 3.94Å
111C93.2Very high86.4Confident0 Ų042.5 Ų42.50%022%0.224CC..EExtended strand (participates in β ladder)trans-129137.1-176.1-70.10000110.2M93 F102 A103 L233 E237 L238 F240M93-C111 WeakPolarHBondContact CG-SG 3.46Å; F102-C111 HydrophobicContact CE1-CB 3.63Å; F102-C111 HydrophobicContact CZ-CB 3.53Å; A103-C111 WeakPolarHBondContact O-CA 3.45Å; C111-L233 HydrophobicContact CB-CD1 4.15Å; C111-E237 CarbonylContact O-C 3.52Å; C111-E237 VanDerWaalsContact O-CA 3.23Å; C111-E237 WeakPolarHBondContact O-CA 3.33Å; C111-E237 WeakPolarHBondContact O-CG 3.33Å; C111-L238 PolarHBondContact N-O 3.03Å; C111-L238 PolarHBondContact O-N 3.31Å; C111-F240 HydrophobicContact CB-CE2 4.21Å
112Q90.7Very high87.1Confident3 Ų342.3 Ų42.31%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-145.1146.4-175.3-176-174.386.300110.8A103 R114 A236 E237 H424 F425A103-Q112 HydrophobicContact CB-CB 4.14Å; A103-Q112 WeakPolarHBondContact CB-O 3.34Å; A103-Q112 PolarHBondContact N-O 3.34Å; A103-Q112 PolarHBondContact O-N 3.44Å; Q112-R114 VanDerWaalsContact CD-CZ 3.5Å; Q112-R114 HydrophobicContact CG-CG 4.39Å; Q112-A236 CarbonylContact C-O 3.47Å; Q112-A236 WeakPolarHBondContact CA-O 3.36Å; Q112-E237 HydrophobicContact CB-CB 4.35Å; Q112-E237 HydrophobicContact CB-CG 4.24Å; Q112-E237 HydrophobicContact CG-CB 4.24Å; Q112-E237 HydrophobicContact CG-CG 4.5Å; Q112-E237 PolarHBondContact NE2-OE2 3.26Å; Q112-H424 VanDerWaalsContact OE1-CA 3.31Å; Q112-F425 HydrophobicContact CB-CE1 3.95Å; Q112-F425 HydrophobicContact CB-CE2 3.76Å; Q112-F425 HydrophobicContact CB-CZ 3.34Å; Q112-F425 HydrophobicContact CG-CZ 4.39Å
113S89.8Confident87.6Confident0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-138.7130.6162.4-174.90000108.4A101 N235 A236A101-S113 WeakPolarHBondContact O-CB 3.38Å; A101-S113 PolarHBondContact O-OG 2.73Å; S113-N235 CarbonylContact O-C 3.56Å; S113-N235 WeakPolarHBondContact O-CA 3.15Å; S113-N235 PolarHBondContact O-N 2.69Å; S113-A236 PolarHBondContact N-O 3.27Å; S113-A236 PolarHBondContact O-N 3.04Å
114R84.1Confident88.3Confident42 Ų4242.6 Ų42.616%0.15822%0.223CC..  trans-95.65.4179.7-60.8-58.2-176-172.1-3.1113.3Q112 V116 D141 E237 E420Q112-R114 VanDerWaalsContact CD-CZ 3.5Å; Q112-R114 HydrophobicContact CG-CG 4.39Å; R114-V116 PolarHBondContact O-N 3.31Å; R114-D141 IonicContact CZ-OD2 3.78Å; R114-D141 IonicContact NH1-OD2 2.76Å; R114-D141 PolarHBondContact NH1-OD2 2.79Å; R114-D141 IonicContact NH2-OD2 3.22Å; R114-D141 PolarHBondContact NH2-OD2 2.89Å; R114-E237 IonicContact NH2-OE2 2.75Å; R114-E420 WeakPolarHBondContact CD-O 3.41Å; R114-E420 VanDerWaalsContact CG-O 3.32Å; R114-E420 WeakPolarHBondContact CG-O 3.39Å; R114-E420 PolarHBondContact NE-O 3.13Å
115E82.6Confident88.8Confident56 Ų5641.2 Ų41.226%0.26222%0.216SC..  trans-72.7120.3178.4-77.9-62.5155.500111.9A101 K234 N235A101-E115 HydrophobicContact CB-CG 3.55Å; E115-K234 CarbonylContact O-C 3.6Å; E115-K234 WeakPolarHBondContact O-CG 3.18Å; E115-N235 PolarHBondContact O-N 2.92Å
116V82.2Confident89.8Confident97 Ų9741.5 Ų41.559%0.58821%0.213SC*.SBendtrans-84.6-19.7-176.2-175.30000111.8R114 K234 N235R114-V116 PolarHBondContact O-N 3.31Å; V116-K234 VanDerWaalsContact C-CE 3.5Å; V116-K234 WeakPolarHBondContact O-CE 2.99Å; V116-N235 HydrophobicContact CG2-CB 4.32Å
117K85.7Confident90.9Very high172 Ų17234.9 Ų34.975%0.74817%0.167SC*.SBendtrans-108.8-39.2-175.1-68.3-176.5-179.2178.30112.8K234K117-K234 VanDerWaalsContact O-CE 3.26Å; K117-K234 WeakPolarHBondContact O-CE 3.31Å; K117-K234 PolarHBondContact O-NZ 3.4Å
118E89.5Confident91.7Very high118 Ų11831.6 Ų31.655%0.55115%0.149SC*.SBendtrans-103.7157-171.4-61-171.3169.200111.8H120 K234E118-H120 IonicContact OE2-NE2 2.94Å; E118-K234 WeakPolarHBondContact O-CG 3.19Å
119W95.7Very high92.2Very high81 Ų8134.2 Ų34.231%0.30716%0.161SC..  trans-101.1125.8176.4-76.4104000108.7L144 V232 L233 K234W119-L144 HydrophobicContact CH2-CB 3.46Å; W119-L144 VanDerWaalsContact CH2-CB 3.46Å; W119-L144 HydrophobicContact CZ2-CB 4.01Å; W119-L144 HydrophobicContact CZ2-CD1 4.29Å; W119-L144 HydrophobicContact CZ3-CB 4.12Å; W119-L144 WeakPolarHBondContact CZ3-O 3.35Å; W119-V232 HydrophobicContact CB-CG2 3.67Å; W119-V232 HydrophobicContact CD2-CG2 4.33Å; W119-V232 HydrophobicContact CE3-CB 4.32Å; W119-V232 HydrophobicContact CE3-CG1 3.95Å; W119-V232 HydrophobicContact CE3-CG2 3.81Å; W119-V232 HydrophobicContact CG-CG2 4.34Å; W119-V232 HydrophobicContact CZ3-CG1 4.17Å; W119-L233 WeakPolarHBondContact CA-O 3.37Å; W119-K234 HydrophobicContact CD2-CB 3.83Å; W119-K234 HydrophobicContact CD2-CD 4.2Å; W119-K234 HydrophobicContact CE3-CB 3.65Å; W119-K234 HydrophobicContact CG-CB 4.48Å; W119-K234 HydrophobicContact CG-CD 4.47Å; W119-K234 HydrophobicContact CH2-CB 4.35Å; W119-K234 HydrophobicContact CZ2-CB 4.45Å; W119-K234 HydrophobicContact CZ2-CD 4.37Å; W119-K234 HydrophobicContact CZ3-CB 3.93Å
120H94Very high92.2Very high15 Ų1539 Ų397%0.06918%0.181CC..EExtended strand (participates in β ladder)trans-120.5130.5172.8-65.1-86000109S100 A101 F102 E118 V232 L233S100-H120 PolarHBondContact OG-CE1 2.82Å; A101-H120 PolarHBondContact N-ND1 3.4Å; F102-H120 HydrophobicContact CB-CB 4.14Å; F102-H120 HydrophobicContact CD2-CB 4.26Å; F102-H120 VanDerWaalsContact CD2-O 3.23Å; F102-H120 WeakPolarHBondContact CD2-O 3.25Å; E118-H120 IonicContact OE2-NE2 2.94Å; H120-V232 CarbonylContact O-C 3.56Å; H120-V232 WeakPolarHBondContact O-CA 3.24Å; H120-L233 PolarHBondContact N-O 3.49Å; H120-L233 PolarHBondContact O-N 2.98Å
121G96.4Very high92.4Very high1 Ų138.3 Ų38.31%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-125.1171.2-179.300000113.5R98 G99 L156 C231R98-G121 CarbonylContact C-O 3.59Å; R98-G121 WeakPolarHBondContact CA-O 3.4Å; G99-G121 PolarHBondContact N-O 2.82Å; G121-L156 VanDerWaalsContact CA-O 3.29Å; G121-L156 WeakPolarHBondContact CA-O 3.23Å; G121-C231 CarbonylContact C-O 3.56Å; G121-C231 WeakPolarHBondContact CA-O 3.3Å
122C95.9Very high92.6Very high1 Ų141.1 Ų41.11%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-148.2151.1-178.1-176.70000110M93 N94 D97 R98 F102 A230 C231M93-C122 HydrophobicContact CE-CB 3.93Å; N94-C122 PolarHBondContact O-SG 3.29Å; D97-C122 VanDerWaalsContact O-CA 3.28Å; D97-C122 WeakPolarHBondContact O-CA 3.32Å; D97-C122 PolarHBondContact O-SG 3.01Å; D97-C122 VanDerWaalsContact O-SG 3.36Å; R98-C122 HydrophobicContact CB-CB 3.85Å; F102-C122 HydrophobicContact CD1-CB 3.56Å; F102-C122 HydrophobicContact CD2-CB 4.08Å; F102-C122 HydrophobicContact CE1-CB 3.23Å; F102-C122 HydrophobicContact CE2-CB 3.76Å; F102-C122 HydrophobicContact CG-CB 3.97Å; F102-C122 HydrophobicContact CZ-CB 3.33Å; C122-A230 VanDerWaalsContact O-CA 3.3Å; C122-A230 WeakPolarHBondContact O-CA 3.42Å; C122-C231 PolarHBondContact N-O 2.72Å; C122-C231 PolarHBondContact O-N 3.47Å
123R97.3Very high92.9Very high13 Ų1341.2 Ų41.25%0.04919%0.19CC..EExtended strand (participates in β ladder)trans-110.2155.7169.7-75.8175.2-77.7-105.34.7110.8N94 D97 S150 A154 L156 P229 A230N94-R123 WeakPolarHBondContact CA-O 3.47Å; N94-R123 WeakPolarHBondContact CB-O 3.38Å; N94-R123 PolarHBondContact N-O 2.85Å; D97-R123 HydrophobicContact CB-CB 4.45Å; D97-R123 PolarHBondContact O-N 2.8Å; D97-R123 IonicContact OD1-CZ 3.28Å; D97-R123 IonicContact OD1-NE 3.31Å; D97-R123 PolarHBondContact OD1-NE 3.36Å; D97-R123 IonicContact OD1-NH2 3.33Å; D97-R123 PolarHBondContact OD1-NH2 3.39Å; D97-R123 IonicContact OD2-CZ 3.71Å; D97-R123 IonicContact OD2-NE 3.13Å; D97-R123 PolarHBondContact OD2-NE 3.38Å; D97-R123 IonicContact OD2-NH2 2.66Å; R123-S150 WeakPolarHBondContact CD-OG 3.32Å; R123-S150 WeakPolarHBondContact CG-OG 3.43Å; R123-A154 PolarHBondContact NH1-O 2.83Å; R123-L156 HydrophobicContact CG-CD2 4.22Å; R123-P229 CarbonylContact C-O 3.48Å; R123-P229 WeakPolarHBondContact CA-O 3.33Å; R123-A230 HydrophobicContact CG-CB 3.96Å
124A97.2Very high93.3Very high0 Ų041.2 Ų41.20%019%0.19CC..EExtended strand (participates in β ladder)trans-70.9163172.500000112.7Q92 M93 K126 F228 P229 F242Q92-A124 WeakPolarHBondContact O-CA 3.48Å; Q92-A124 WeakPolarHBondContact O-CB 3.27Å; M93-A124 HydrophobicContact SD-CB 4.06Å; A124-K126 PolarHBondContact O-N 3.43Å; A124-F228 WeakPolarHBondContact O-CD1 3.33Å; A124-P229 HydrophobicContact CB-CB 3.9Å; A124-P229 HydrophobicContact CB-CG 4.06Å; A124-P229 PolarHBondContact N-O 3.25Å; A124-F242 HydrophobicContact CB-CZ 4.22Å
125T94.1Very high94Very high0 Ų039.2 Ų39.20%018%0.182CC..SBendtrans-68.9-21.1177.852.10000113.5V87 L88 K90 Q92 N94 S269V87-T125 HydrophobicContact CG1-CG2 3.8Å; L88-T125 HydrophobicContact CD2-CG2 4.02Å; K90-T125 PolarHBondContact O-OG1 2.64Å; Q92-T125 HydrophobicContact CG-CG2 3.69Å; Q92-T125 PolarHBondContact N-OG1 3.27Å; Q92-T125 PolarHBondContact O-N 2.83Å; Q92-T125 PolarHBondContact O-OG1 3.33Å; Q92-T125 VanDerWaalsContact O-OG1 3.13Å; N94-T125 HydrophobicContact CB-CG2 3.9Å; T125-S269 WeakPolarHBondContact O-CB 3.34Å; T125-S269 PolarHBondContact O-N 3.18Å
126K95.9Very high94.8Very high21 Ų2136.8 Ų36.89%0.09117%0.171CC..EExtended strand (participates in β ladder)trans-135.3148.7-175.7-67.7175.6-177.5-175.60110.6L88 N89 W91 A124 F228 P229 I266 V267L88-K126 WeakPolarHBondContact O-CE 3.36Å; N89-K126 VanDerWaalsContact C-CE 3.48Å; N89-K126 VanDerWaalsContact O-CE 3.28Å; N89-K126 WeakPolarHBondContact O-CE 3.3Å; N89-K126 PolarHBondContact O-NZ 3.26Å; W91-K126 HydrophobicContact CD2-CB 4.07Å; W91-K126 HydrophobicContact CD2-CD 3.91Å; W91-K126 HydrophobicContact CE3-CB 3.8Å; W91-K126 HydrophobicContact CE3-CD 4.47Å; W91-K126 HydrophobicContact CG-CD 4.16Å; W91-K126 HydrophobicContact CH2-CB 3.61Å; W91-K126 HydrophobicContact CZ2-CB 3.91Å; W91-K126 HydrophobicContact CZ2-CD 4.2Å; W91-K126 HydrophobicContact CZ3-CB 3.56Å; W91-K126 VanDerWaalsContact CZ3-O 3.26Å; W91-K126 WeakPolarHBondContact CZ3-O 3.1Å; A124-K126 PolarHBondContact O-N 3.43Å; K126-F228 VanDerWaalsContact C-CE1 3.4Å; K126-F228 VanDerWaalsContact O-CD1 3.25Å; K126-F228 WeakPolarHBondContact O-CD1 3.41Å; K126-P229 WeakPolarHBondContact O-CD 3.33Å; K126-I266 HydrophobicContact CB-CG2 4.01Å; K126-I266 HydrophobicContact CD-CG2 3.87Å; K126-I266 HydrophobicContact CG-CG2 3.98Å; K126-V267 CarbonylContact C-O 3.53Å; K126-V267 WeakPolarHBondContact CA-O 3.24Å
127G96.5Very high95.5Very high0 Ų032.2 Ų32.20%014%0.143CC..EExtended strand (participates in β ladder)trans-134.1172.2176.100000110.8L227 F228 I266 V267G127-L227 CarbonylContact C-O 3.59Å; G127-L227 WeakPolarHBondContact CA-O 3.44Å; G127-F228 VanDerWaalsContact N-CD1 3.28Å; G127-I266 WeakPolarHBondContact O-CA 3.47Å; G127-V267 PolarHBondContact N-O 2.93Å; G127-V267 PolarHBondContact O-N 2.8Å
128L96.8Very high96.1Very high0 Ų025.6 Ų25.60%012%0.118CC..EExtended strand (participates in β ladder)trans-113143.2-177.2-71.8175.4000112.5H133 W149 L196 I198 A226 L227 L258 A261 Y265L128-H133 HydrophobicContact CD1-CB 3.44Å; L128-H133 VanDerWaalsContact CD1-CB 3.44Å; L128-H133 VanDerWaalsContact CD1-CG 3.41Å; L128-H133 VanDerWaalsContact CD1-ND1 3.32Å; L128-H133 WeakPolarHBondContact CD1-ND1 3.42Å; L128-W149 HydrophobicContact CD1-CZ3 4.45Å; L128-L196 HydrophobicContact CB-CD2 4.35Å; L128-L196 HydrophobicContact CD1-CD2 4.18Å; L128-I198 HydrophobicContact CB-CD1 3.54Å; L128-I198 VanDerWaalsContact O-CD1 3.31Å; L128-I198 WeakPolarHBondContact O-CD1 3.39Å; L128-A226 CarbonylContact O-C 3.48Å; L128-A226 VanDerWaalsContact O-CA 3.26Å; L128-A226 WeakPolarHBondContact O-CA 3.42Å; L128-L227 PolarHBondContact N-O 2.93Å; L128-L227 PolarHBondContact O-N 2.96Å; L128-L258 HydrophobicContact CD1-CD2 3.24Å; L128-L258 HydrophobicContact CD2-CD2 4.17Å; L128-L258 HydrophobicContact CG-CD2 3.66Å; L128-A261 HydrophobicContact CD2-CB 3.66Å; L128-Y265 WeakPolarHBondContact CA-O 3.49Å
129M94.6Very high96.4Very high58 Ų5820.1 Ų20.129%0.2869%0.094SC..SBendtrans-109.9-18.2173.1-76.6-72.4-62.400114I198 N224 A226 Y265 V267M129-I198 VanDerWaalsContact C-CD1 3.47Å; M129-I198 WeakPolarHBondContact O-CG2 3.36Å; M129-N224 VanDerWaalsContact CE-O 3.23Å; M129-N224 WeakPolarHBondContact CE-O 3.32Å; M129-A226 HydrophobicContact CG-CB 3.93Å; M129-A226 VanDerWaalsContact SD-CA 3.51Å; M129-A226 HydrophobicContact SD-CB 3.71Å; M129-A226 PolarHBondContact SD-N 2.84Å; M129-Y265 PolarHBondContact N-O 2.66Å; M129-V267 HydrophobicContact CB-CG2 4.44Å; M129-V267 HydrophobicContact CG-CB 4.45Å; M129-V267 HydrophobicContact CG-CG2 3.27Å; M129-V267 HydrophobicContact SD-CG2 4.31Å
130K94.7Very high96.1Very high121 Ų12119.6 Ų19.653%0.5269%0.094SC..SBendtrans-150.8163.6-178.1-66.5-170.4178.1-178.40112.5H133 Y265K130-H133 PolarHBondContact O-CE1 2.66Å; K130-H133 VanDerWaalsContact O-CE1 3.27Å; K130-Y265 HydrophobicContact CB-CD1 3.86Å; K130-Y265 HydrophobicContact CB-CD2 4.11Å; K130-Y265 HydrophobicContact CB-CE1 4.1Å; K130-Y265 HydrophobicContact CB-CE2 4.31Å; K130-Y265 HydrophobicContact CB-CG 3.88Å; K130-Y265 HydrophobicContact CD-CD1 4.4Å; K130-Y265 HydrophobicContact CD-CE1 4.29Å
131G94.3Very high95.6Very high5 Ų520.7 Ų20.75%0.05210%0.101CC..SBendtrans85.3-177.1168.600000115.6I198 D199G131-I198 PolarHBondContact O-N 3.48Å; G131-I198 VanDerWaalsContact O-N 3.08Å; G131-D199 WeakPolarHBondContact CA-OD2 3.44Å; G131-D199 PolarHBondContact N-OD1 3.36Å; G131-D199 VanDerWaalsContact N-OD1 3.17Å
132K96.6Very high95.1Very high60 Ų6028 Ų2826%0.26114%0.135SC..EExtended strand (participates in β ladder)trans-112.8105.1-174.6-61.9-176.870.7-169.20111.5L196 D197 D253 F255 V256K132-L196 CarbonylContact C-O 3.5Å; K132-L196 WeakPolarHBondContact CA-O 3.2Å; K132-D197 WeakPolarHBondContact CE-OD2 3.04Å; K132-D197 HydrophobicContact CG-CB 4.15Å; K132-D253 PolarHBondContact NZ-O 3.32Å; K132-F255 HydrophobicContact CB-CD1 4Å; K132-F255 HydrophobicContact CB-CE1 4.18Å; K132-F255 HydrophobicContact CB-CG 4.37Å; K132-V256 PolarHBondContact O-N 2.67Å; K132-V256 VanDerWaalsContact O-N 3.13Å
133H97.9Very high94.7Very high4 Ų428.9 Ų28.92%0.01914%0.144CC..EExtended strand (participates in β ladder)trans-132.9163.2-172.3-55.780.4000113.9L128 K130 L196 F255 V256 L258 A261 Y265L128-H133 HydrophobicContact CD1-CB 3.44Å; L128-H133 VanDerWaalsContact CD1-CB 3.44Å; L128-H133 VanDerWaalsContact CD1-CG 3.41Å; L128-H133 VanDerWaalsContact CD1-ND1 3.32Å; L128-H133 WeakPolarHBondContact CD1-ND1 3.42Å; K130-H133 PolarHBondContact O-CE1 2.66Å; K130-H133 VanDerWaalsContact O-CE1 3.27Å; H133-L196 PolarHBondContact N-O 3.45Å; H133-L196 PolarHBondContact O-N 2.97Å; H133-F255 WeakPolarHBondContact O-CD1 3.29Å; H133-V256 CarbonylContact C-O 3.59Å; H133-V256 WeakPolarHBondContact CA-O 3.36Å; H133-L258 HydrophobicContact CB-CD2 3.76Å; H133-L258 HydrophobicContact CB-CG 4.32Å; H133-A261 WeakPolarHBondContact NE2-CA 3.45Å; H133-A261 VanDerWaalsContact NE2-CB 3.32Å; H133-A261 WeakPolarHBondContact NE2-CB 3.45Å; H133-Y265 AromaticContact CE1-CD2 3.9Å
134Y98Very high94.6Very high0 Ų032.1 Ų32.10%016%0.161CC..EExtended strand (participates in β ladder)trans-144148.1-169.7174-100.2000112.1E136 G193 C194 Y195 F247 F249 P251 V256 L258Y134-E136 HydrophobicContact CE1-CG 3.6Å; Y134-E136 WeakPolarHBondContact OH-CG 3.25Å; Y134-E136 PolarHBondContact OH-OE1 3.16Å; Y134-G193 WeakPolarHBondContact OH-CA 3.48Å; Y134-C194 WeakPolarHBondContact CA-O 3.49Å; Y134-Y195 AromaticContact CD2-CD1 3.55Å; Y134-Y195 HydrophobicContact CD2-CD1 3.55Å; Y134-Y195 AromaticContact CD2-CD2 3.97Å; Y134-Y195 HydrophobicContact CD2-CD2 3.97Å; Y134-Y195 AromaticContact CD2-CE1 3.37Å; Y134-Y195 HydrophobicContact CD2-CE1 3.37Å; Y134-Y195 AromaticContact CD2-CE2 3.82Å; Y134-Y195 HydrophobicContact CD2-CE2 3.82Å; Y134-Y195 AromaticContact CD2-CG 3.83Å; Y134-Y195 HydrophobicContact CD2-CG 3.83Å; Y134-Y195 AromaticContact CD2-CZ 3.51Å; Y134-Y195 HydrophobicContact CE2-CD1 4.19Å; Y134-Y195 HydrophobicContact CE2-CD2 4.07Å; Y134-Y195 AromaticContact CE2-CE1 3.64Å; Y134-Y195 HydrophobicContact CE2-CE1 3.64Å; Y134-Y195 AromaticContact CE2-CE2 3.51Å; Y134-Y195 HydrophobicContact CE2-CE2 3.51Å; Y134-Y195 HydrophobicContact CE2-CG 4.37Å; Y134-Y195 AromaticContact CE2-CZ 3.25Å; Y134-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y134-Y195 HydrophobicContact CG-CD1 4.41Å; Y134-Y195 HydrophobicContact CG-CE1 4.26Å; Y134-F247 HydrophobicContact CD1-CD1 4.44Å; Y134-F247 AromaticContact CD1-CD2 3.93Å; Y134-F247 HydrophobicContact CD1-CD2 3.93Å; Y134-F247 HydrophobicContact CD1-CE1 4.18Å; Y134-F247 AromaticContact CD1-CE2 3.61Å; Y134-F247 HydrophobicContact CD1-CE2 3.61Å; Y134-F247 HydrophobicContact CD1-CG 4.34Å; Y134-F247 AromaticContact CD1-CZ 3.76Å; Y134-F247 HydrophobicContact CD1-CZ 3.76Å; Y134-F247 HydrophobicContact CE1-CB 4.47Å; Y134-F247 AromaticContact CE1-CD1 3.97Å; Y134-F247 HydrophobicContact CE1-CD1 3.97Å; Y134-F247 AromaticContact CE1-CD2 3.86Å; Y134-F247 HydrophobicContact CE1-CD2 3.86Å; Y134-F247 HydrophobicContact CE1-CE1 4.12Å; Y134-F247 AromaticContact CE1-CE2 3.99Å; Y134-F247 HydrophobicContact CE1-CE2 3.99Å; Y134-F247 AromaticContact CE1-CG 3.85Å; Y134-F247 HydrophobicContact CE1-CG 3.85Å; Y134-F247 HydrophobicContact CE1-CZ 4.13Å; Y134-F249 PolarHBondContact OH-O 2.7Å; Y134-P251 HydrophobicContact CD1-CB 3.76Å; Y134-P251 HydrophobicContact CD1-CG 3.57Å; Y134-P251 HydrophobicContact CD2-CB 4.04Å; Y134-P251 HydrophobicContact CE1-CB 4.22Å; Y134-P251 HydrophobicContact CE1-CG 4.17Å; Y134-P251 HydrophobicContact CE2-CB 4.47Å; Y134-P251 HydrophobicContact CG-CB 3.62Å; Y134-P251 HydrophobicContact CG-CG 3.86Å; Y134-V256 PolarHBondContact N-O 3.38Å; Y134-L258 PolarHBondContact O-N 3.35Å
135Y98.5Very high94.6Very high0 Ų032.4 Ų32.40%016%0.164CC..EExtended strand (participates in β ladder)trans-148.1164.2165.372.3-87.5000111.5V137 G148 W149 C194 P229 F240 N241 F242 L258Y135-V137 HydrophobicContact CD2-CG2 3.83Å; Y135-V137 HydrophobicContact CE2-CG2 3.36Å; Y135-G148 PolarHBondContact OH-O 3.29Å; Y135-W149 AromaticContact CD1-CH2 3.59Å; Y135-W149 HydrophobicContact CD1-CH2 3.59Å; Y135-W149 AromaticContact CD1-CZ2 3.55Å; Y135-W149 HydrophobicContact CD1-CZ2 3.55Å; Y135-W149 HydrophobicContact CD1-CZ3 4.35Å; Y135-W149 HydrophobicContact CE1-CD2 4.16Å; Y135-W149 AromaticContact CE1-CE2 3.62Å; Y135-W149 HydrophobicContact CE1-CE3 4.33Å; Y135-W149 AromaticContact CE1-CH2 3.61Å; Y135-W149 HydrophobicContact CE1-CH2 3.61Å; Y135-W149 AromaticContact CE1-CZ2 3.34Å; Y135-W149 HydrophobicContact CE1-CZ2 3.34Å; Y135-W149 HydrophobicContact CE1-CZ3 4.09Å; Y135-C194 HydrophobicContact CD1-CB 3.71Å; Y135-C194 HydrophobicContact CD2-CB 4.23Å; Y135-C194 HydrophobicContact CE1-CB 3.29Å; Y135-C194 HydrophobicContact CE2-CB 3.84Å; Y135-C194 HydrophobicContact CG-CB 4.16Å; Y135-C194 VanDerWaalsContact CZ-SG 3.57Å; Y135-C194 PolarHBondContact N-O 3.25Å; Y135-C194 VanDerWaalsContact N-O 3.15Å; Y135-C194 PolarHBondContact O-N 3.45Å; Y135-P229 HydrophobicContact CD1-CB 4.4Å; Y135-P229 HydrophobicContact CD1-CG 4.18Å; Y135-P229 HydrophobicContact CE1-CB 3.81Å; Y135-P229 HydrophobicContact CE1-CG 3.93Å; Y135-P229 HydrophobicContact CE2-CB 4.29Å; Y135-F240 HydrophobicContact CD2-CD1 4.05Å; Y135-F240 HydrophobicContact CD2-CE1 4.48Å; Y135-F240 AromaticContact CE2-CD1 3.79Å; Y135-F240 HydrophobicContact CE2-CD1 3.79Å; Y135-F240 AromaticContact CE2-CE1 3.77Å; Y135-F240 HydrophobicContact CE2-CE1 3.77Å; Y135-N241 WeakPolarHBondContact CB-O 3.5Å; Y135-F242 HydrophobicContact CD2-CD1 4.26Å; Y135-F242 HydrophobicContact CD2-CE1 4.01Å; Y135-F242 HydrophobicContact CE2-CE1 4.48Å; Y135-F242 HydrophobicContact CG-CD1 4.06Å; Y135-F242 HydrophobicContact CG-CE1 4.13Å; Y135-L258 HydrophobicContact CD1-CD1 3.47Å; Y135-L258 VanDerWaalsContact CD1-CD1 3.47Å; Y135-L258 HydrophobicContact CD1-CG 4.36Å; Y135-L258 HydrophobicContact CE1-CD1 4.31Å; Y135-L258 HydrophobicContact CG-CD1 3.92Å
136E98.2Very high94.8Very high5 Ų533.1 Ų33.12%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-112.6150.8177.9-75.7-177.7168.800112.3Y134 T191 I192 N241 F247 K248 F249Y134-E136 HydrophobicContact CE1-CG 3.6Å; Y134-E136 WeakPolarHBondContact OH-CG 3.25Å; Y134-E136 PolarHBondContact OH-OE1 3.16Å; E136-T191 HydrophobicContact CB-CG2 3.95Å; E136-T191 HydrophobicContact CG-CG2 4.03Å; E136-I192 CarbonylContact C-O 3.53Å; E136-I192 WeakPolarHBondContact CA-O 2.77Å; E136-N241 HydrophobicContact CB-CB 4.35Å; E136-N241 PolarHBondContact N-O 2.69Å; E136-N241 PolarHBondContact O-N 3.17Å; E136-F247 HydrophobicContact CB-CD1 4.1Å; E136-F247 HydrophobicContact CB-CE1 4.45Å; E136-F247 HydrophobicContact CG-CD1 3.76Å; E136-F247 HydrophobicContact CG-CE1 4.35Å; E136-F247 HydrophobicContact CG-CG 4.42Å; E136-F247 WeakPolarHBondContact OE2-CA 3.35Å; E136-K248 PolarHBondContact OE2-N 3.29Å; E136-F249 VanDerWaalsContact OE1-C 3.25Å; E136-F249 VanDerWaalsContact OE1-CA 3.25Å; E136-F249 WeakPolarHBondContact OE1-CA 3.46Å; E136-F249 WeakPolarHBondContact OE1-CB 2.95Å; E136-F249 PolarHBondContact OE1-N 3.16Å
137V98.5Very high94.9Very high1 Ų132.1 Ų32.11%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-132.6120.6169.9-1660000109.5Y135 V147 T191 I192 L238 K239 F240Y135-V137 HydrophobicContact CD2-CG2 3.83Å; Y135-V137 HydrophobicContact CE2-CG2 3.36Å; V137-V147 HydrophobicContact CB-CG1 4.26Å; V137-V147 HydrophobicContact CG1-CG1 4.02Å; V137-V147 HydrophobicContact CG2-CB 4.37Å; V137-V147 HydrophobicContact CG2-CG1 4.15Å; V137-T191 CarbonylContact O-C 3.58Å; V137-T191 WeakPolarHBondContact O-CA 3.26Å; V137-I192 PolarHBondContact N-O 2.95Å; V137-I192 PolarHBondContact O-N 3Å; V137-L238 HydrophobicContact CG1-CB 3.68Å; V137-L238 HydrophobicContact CG1-CD1 3.78Å; V137-L238 HydrophobicContact CG1-CD2 4.08Å; V137-L238 HydrophobicContact CG1-CG 4.06Å; V137-K239 CarbonylContact C-O 3.47Å; V137-K239 WeakPolarHBondContact CA-O 3.46Å; V137-F240 HydrophobicContact CG1-CD2 4.47Å; V137-F240 HydrophobicContact CG1-CE2 4.37Å; V137-F240 HydrophobicContact CG1-CZ 4.41Å; V137-F240 HydrophobicContact CG2-CD1 3.79Å; V137-F240 HydrophobicContact CG2-CE1 3.74Å; V137-F240 HydrophobicContact CG2-CG 4.44Å; V137-F240 HydrophobicContact CG2-CZ 4.35Å
138S97.9Very high95Very high33 Ų3332.1 Ų32.123%0.23116%0.162CC..EExtended strand (participates in β ladder)trans-96.6134.4174.9-67.70000110.4T191 L238 K239S138-T191 PolarHBondContact OG-OG1 3.5Å; S138-L238 CarbonylContact O-C 3.48Å; S138-L238 VanDerWaalsContact O-CA 3.3Å; S138-L238 WeakPolarHBondContact O-CA 3.48Å; S138-K239 PolarHBondContact N-O 3.01Å; S138-K239 PolarHBondContact O-N 3.33Å
139C96.1Very high95.1Very high4 Ų432.1 Ų32.13%0.02716%0.162CC..EExtended strand (participates in β ladder)trans-89.4122.8177.9-58.50000110.3T187 H189 D190 L238C139-T187 WeakPolarHBondContact CB-O 3.28Å; C139-H189 PolarHBondContact O-N 2.75Å; C139-D190 PolarHBondContact N-O 2.98Å; C139-L238 HydrophobicContact CB-CD2 4.1Å; C139-L238 VanDerWaalsContact SG-CD2 3.56Å
140H89.4Confident95.3Very high70 Ų7029.5 Ų29.532%0.32415%0.149SC..  trans-104.3-13.8-179.4-70.1-176.1000113.3E237H140-E237 HydrophobicContact CB-CB 4.09Å; H140-E237 HydrophobicContact CB-CG 3.95Å; H140-E237 IonicContact CG-OE1 3.81Å; H140-E237 PolarHBondContact N-O 3.44Å; H140-E237 IonicContact ND1-OE1 3.94Å; H140-E237 PolarHBondContact ND1-OE1 3.49Å
141D82.8Confident95.4Very high38 Ų3823.8 Ų23.820%0.20312%0.124CC..SBendtrans-127.8165178-83.9-22.3000112.1R114 G143 M188 E237R114-D141 IonicContact CZ-OD2 3.78Å; R114-D141 IonicContact NH1-OD2 2.76Å; R114-D141 PolarHBondContact NH1-OD2 2.79Å; R114-D141 IonicContact NH2-OD2 3.22Å; R114-D141 PolarHBondContact NH2-OD2 2.89Å; D141-G143 VanDerWaalsContact C-N 3.3Å; D141-M188 PolarHBondContact O-N 2.85Å; D141-E237 HydrophobicContact CB-CB 4.15Å; D141-E237 WeakPolarHBondContact OD2-CB 3.05Å; D141-E237 PolarHBondContact OD2-N 3.27Å
142Q86.1Confident95.4Very high155 Ų15525.4 Ų25.472%0.72413%0.131SC*.SBendtrans-82.8-3177.1-62.3-179.1-7.300114.3M188Q142-M188 HydrophobicContact CG-CB 4.04Å; Q142-M188 HydrophobicContact CG-SD 4.16Å
143G87Confident95.3Very high19 Ų1928.2 Ų28.220%0.19615%0.145CC..SBendtrans-64.6175.1-178.800000114.6D141 N235D141-G143 VanDerWaalsContact C-N 3.3Å; G143-N235 WeakPolarHBondContact CA-O 3.26Å
144L95.1Very high95.1Very high80 Ų8028.3 Ų28.342%0.41915%0.147SC..EExtended strand (participates in β ladder)trans-85.8134.8179.3-59.7176.4000110.3W119 T170 K234W119-L144 HydrophobicContact CH2-CB 3.46Å; W119-L144 VanDerWaalsContact CH2-CB 3.46Å; W119-L144 HydrophobicContact CZ2-CB 4.01Å; W119-L144 HydrophobicContact CZ2-CD1 4.29Å; W119-L144 HydrophobicContact CZ3-CB 4.12Å; W119-L144 WeakPolarHBondContact CZ3-O 3.35Å; L144-T170 HydrophobicContact CD2-CG2 4.34Å; L144-K234 HydrophobicContact CB-CB 4.31Å; L144-K234 PolarHBondContact N-O 2.81Å; L144-K234 PolarHBondContact O-N 3.4Å
145C97.7Very high95Very high7 Ų731.1 Ų31.15%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-141157176.764.40000111.5G168 G169 F186 V232 L233 A236 L238C145-G168 CarbonylContact O-C 3.55Å; C145-G168 WeakPolarHBondContact O-CA 3.28Å; C145-G169 PolarHBondContact O-N 3.33Å; C145-F186 VanDerWaalsContact SG-CE2 3.51Å; C145-V232 CarbonylContact C-O 3.59Å; C145-V232 VanDerWaalsContact CA-O 3.27Å; C145-V232 WeakPolarHBondContact CA-O 3.3Å; C145-L233 HydrophobicContact CB-CD2 3.63Å; C145-A236 HydrophobicContact CB-CB 4.46Å; C145-L238 HydrophobicContact CB-CD1 4.06Å; C145-L238 HydrophobicContact CB-CD2 4.31Å; C145-L238 HydrophobicContact CB-CG 4.44Å
146R98.3Very high94.9Very high14 Ų1433.2 Ų33.25%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-130.5140.3160.1-73.2166.4-79.1171.9-3.5109D157 L158 F167 G168 C231 V232R146-D157 IonicContact CZ-OD1 3.5Å; R146-D157 IonicContact NH1-OD1 3.47Å; R146-D157 PolarHBondContact NH1-OD1 3.04Å; R146-D157 IonicContact NH2-OD1 3.55Å; R146-D157 PolarHBondContact NH2-OD1 2.82Å; R146-L158 VanDerWaalsContact CZ-O 3.3Å; R146-L158 PolarHBondContact NH1-O 2.82Å; R146-F167 CarbonylContact C-O 3.57Å; R146-F167 VanDerWaalsContact CA-O 3.25Å; R146-F167 WeakPolarHBondContact CA-O 3.43Å; R146-G168 VanDerWaalsContact CG-CA 3.46Å; R146-C231 CarbonylContact O-C 3.6Å; R146-C231 WeakPolarHBondContact O-CA 3.43Å; R146-C231 VanDerWaalsContact O-CB 3.24Å; R146-C231 WeakPolarHBondContact O-CB 3.37Å; R146-V232 HydrophobicContact CB-CG1 3.8Å; R146-V232 PolarHBondContact N-O 3.02Å; R146-V232 PolarHBondContact O-N 2.8Å
147V98.6Very high94.8Very high1 Ų135.2 Ų35.21%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-124.9154.9177.1-60.80000110.4V137 G166 F167 I192 A230 C231 L238V137-V147 HydrophobicContact CB-CG1 4.26Å; V137-V147 HydrophobicContact CG1-CG1 4.02Å; V137-V147 HydrophobicContact CG2-CB 4.37Å; V137-V147 HydrophobicContact CG2-CG1 4.15Å; V147-G166 CarbonylContact O-C 2.87Å; V147-G166 WeakPolarHBondContact O-CA 2.98Å; V147-F167 PolarHBondContact N-O 3.29Å; V147-F167 PolarHBondContact O-N 3.26Å; V147-I192 HydrophobicContact CG2-CB 4.29Å; V147-I192 HydrophobicContact CG2-CG2 3.79Å; V147-A230 CarbonylContact C-O 3.6Å; V147-C231 HydrophobicContact CG1-CB 4.1Å; V147-L238 HydrophobicContact CG1-CD1 3.52Å
148G98.5Very high94.8Very high0 Ų035.3 Ų35.30%019%0.189CC..EExtended strand (participates in β ladder)trans154.7-137.5173.500000112.5Y135 F165 P229 A230Y135-G148 PolarHBondContact OH-O 3.29Å; G148-F165 WeakPolarHBondContact CA-O 3.45Å; G148-P229 CarbonylContact O-C 3.28Å; G148-P229 WeakPolarHBondContact O-CA 3.17Å; G148-A230 PolarHBondContact N-O 3.18Å; G148-A230 PolarHBondContact O-N 3.49Å
149W98.5Very high94.7Very high0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-129.2141.2-166.4-55.589.8000111L128 Y135 G164 F165 C194 L196 L227 F228 P229 L258L128-W149 HydrophobicContact CD1-CZ3 4.45Å; Y135-W149 AromaticContact CD1-CH2 3.59Å; Y135-W149 HydrophobicContact CD1-CH2 3.59Å; Y135-W149 AromaticContact CD1-CZ2 3.55Å; Y135-W149 HydrophobicContact CD1-CZ2 3.55Å; Y135-W149 HydrophobicContact CD1-CZ3 4.35Å; Y135-W149 HydrophobicContact CE1-CD2 4.16Å; Y135-W149 AromaticContact CE1-CE2 3.62Å; Y135-W149 HydrophobicContact CE1-CE3 4.33Å; Y135-W149 AromaticContact CE1-CH2 3.61Å; Y135-W149 HydrophobicContact CE1-CH2 3.61Å; Y135-W149 AromaticContact CE1-CZ2 3.34Å; Y135-W149 HydrophobicContact CE1-CZ2 3.34Å; Y135-W149 HydrophobicContact CE1-CZ3 4.09Å; W149-G164 CarbonylContact O-C 3.21Å; W149-G164 WeakPolarHBondContact O-CA 3.37Å; W149-F165 HydrophobicContact CB-CD2 4.45Å; W149-F165 PolarHBondContact N-O 3.39Å; W149-F165 PolarHBondContact O-N 3.2Å; W149-C194 HydrophobicContact CZ2-CB 4.43Å; W149-L196 HydrophobicContact CD2-CB 4.07Å; W149-L196 HydrophobicContact CD2-CD2 3.9Å; W149-L196 HydrophobicContact CD2-CG 4.46Å; W149-L196 HydrophobicContact CE3-CB 4.42Å; W149-L196 HydrophobicContact CE3-CD2 3.62Å; W149-L196 HydrophobicContact CH2-CB 3.75Å; W149-L196 HydrophobicContact CH2-CD2 3.98Å; W149-L196 HydrophobicContact CZ2-CB 3.37Å; W149-L196 HydrophobicContact CZ2-CD2 4.28Å; W149-L196 HydrophobicContact CZ2-CG 4.44Å; W149-L196 HydrophobicContact CZ3-CB 4.27Å; W149-L196 HydrophobicContact CZ3-CD2 3.66Å; W149-L227 HydrophobicContact CB-CB 4.36Å; W149-L227 HydrophobicContact CB-CD2 4.35Å; W149-L227 HydrophobicContact CE3-CB 4.37Å; W149-F228 CarbonylContact C-O 3.59Å; W149-F228 WeakPolarHBondContact CA-O 3.28Å; W149-P229 HydrophobicContact CE3-CG 4.22Å; W149-P229 HydrophobicContact CH2-CG 4.44Å; W149-P229 HydrophobicContact CZ3-CG 3.81Å; W149-L258 HydrophobicContact CH2-CD1 3.73Å; W149-L258 HydrophobicContact CH2-CD2 3.96Å; W149-L258 HydrophobicContact CH2-CG 4.12Å; W149-L258 HydrophobicContact CZ3-CD1 4Å; W149-L258 HydrophobicContact CZ3-CD2 4.21Å
150S98Very high94.7Very high2 Ų234.7 Ų34.71%0.01418%0.184CC..EExtended strand (participates in β ladder)trans-145.2154.4174.665.90000112.2R123 F228 A230R123-S150 WeakPolarHBondContact CD-OG 3.32Å; R123-S150 WeakPolarHBondContact CG-OG 3.43Å; S150-F228 PolarHBondContact N-O 3.44Å; S150-F228 PolarHBondContact O-N 3.3Å; S150-A230 WeakPolarHBondContact OG-CB 3.48Å
151T97.1Very high95Very high1 Ų132.6 Ų32.61%0.00617%0.174CC..  trans-80.9168.4166.870.40000109.9Q153 A154 F163 M222 Q225 A226 L227T151-Q153 PolarHBondContact O-N 2.94Å; T151-Q153 VanDerWaalsContact O-N 3.16Å; T151-Q153 PolarHBondContact OG1-N 3.47Å; T151-A154 WeakPolarHBondContact O-CB 3.14Å; T151-A154 PolarHBondContact O-N 2.92Å; T151-A154 VanDerWaalsContact O-N 3.16Å; T151-F163 PolarHBondContact N-O 3.13Å; T151-F163 WeakPolarHBondContact OG1-CB 3.41Å; T151-F163 PolarHBondContact OG1-O 2.69Å; T151-M222 HydrophobicContact CG2-CE 3.57Å; T151-Q225 HydrophobicContact CG2-CB 3.8Å; T151-A226 WeakPolarHBondContact CA-O 3.47Å; T151-L227 HydrophobicContact CG2-CD2 3.87Å
152M94.1Very high95.7Very high39 Ų3935.8 Ų35.819%0.19219%0.187CC..THydrogen-bonded Turntrans-62.8-17.6174.3-68-161.758.700114.3A154 F228 Q270 H271M152-A154 VanDerWaalsContact C-N 3.34Å; M152-F228 HydrophobicContact CG-CD2 4.1Å; M152-F228 HydrophobicContact CG-CE2 3.51Å; M152-F228 HydrophobicContact CG-CZ 3.92Å; M152-F228 HydrophobicContact SD-CE2 4.21Å; M152-F228 HydrophobicContact SD-CZ 4.05Å; M152-Q270 HydrophobicContact CE-CB 3.46Å; M152-Q270 VanDerWaalsContact CE-CB 3.46Å; M152-Q270 HydrophobicContact CE-CG 3.76Å; M152-Q270 HydrophobicContact SD-CB 4.08Å; M152-Q270 HydrophobicContact SD-CG 3.7Å; M152-H271 WeakPolarHBondContact CE-ND1 3.35Å
153Q93.9Very high96.2Very high119 Ų11930.1 Ų30.156%0.55616%0.16SC*.THydrogen-bonded Turntrans-83.8-11.9179-60.5-179.328.400112.9T151 F163T151-Q153 PolarHBondContact O-N 2.94Å; T151-Q153 VanDerWaalsContact O-N 3.16Å; T151-Q153 PolarHBondContact OG1-N 3.47Å; Q153-F163 HydrophobicContact CB-CD1 4.15Å; Q153-F163 HydrophobicContact CB-CD2 4.09Å; Q153-F163 HydrophobicContact CB-CE1 4.34Å; Q153-F163 HydrophobicContact CB-CE2 4.28Å; Q153-F163 HydrophobicContact CB-CG 4.02Å; Q153-F163 HydrophobicContact CB-CZ 4.38Å; Q153-F163 VanDerWaalsContact OE1-CE1 3.28Å; Q153-F163 VanDerWaalsContact OE1-CZ 3.3Å
154A95.3Very high96.7Very high7 Ų729.2 Ų29.26%0.05815%0.15CC..SBendtrans-68.1151.7-17900000111.6R123 T151 M152 D161 F163R123-A154 PolarHBondContact NH1-O 2.83Å; T151-A154 WeakPolarHBondContact O-CB 3.14Å; T151-A154 PolarHBondContact O-N 2.92Å; T151-A154 VanDerWaalsContact O-N 3.16Å; M152-A154 VanDerWaalsContact C-N 3.34Å; A154-D161 WeakPolarHBondContact CA-OD2 3.47Å; A154-F163 HydrophobicContact CB-CB 3.79Å
155S95.2Very high96.9Very high58 Ų5825.4 Ų25.441%0.40613%0.13SC..  trans-58.2152.7156.6-178.10000110.1D157 D161S155-D157 PolarHBondContact O-N 2.91Å; S155-D157 PolarHBondContact OG-N 3.32Å; S155-D157 VanDerWaalsContact OG-N 3.12Å; S155-D161 WeakPolarHBondContact CA-OD2 3.47Å; S155-D161 WeakPolarHBondContact CB-OD2 3.29Å; S155-D161 PolarHBondContact N-OD2 2.82Å
156L96.4Very high96.9Very high44 Ų4425.1 Ų25.123%0.2313%0.128CC..SBendtrans-75.8-1.3169.6-69.7172.3000112.5R98 G121 R123 L158 V232R98-L156 VanDerWaalsContact C-CD1 3.41Å; G121-L156 VanDerWaalsContact CA-O 3.29Å; G121-L156 WeakPolarHBondContact CA-O 3.23Å; R123-L156 HydrophobicContact CG-CD2 4.22Å; L156-L158 PolarHBondContact O-N 2.71Å; L156-V232 WeakPolarHBondContact O-CG2 3.17Å
157D96.6Very high96.9Very high47 Ų4724.4 Ų24.425%0.25113%0.126SC..SBendtrans-90.980.8167.2-171.1-7.6000110.2R146 S155 G159 T160R146-D157 IonicContact CZ-OD1 3.5Å; R146-D157 IonicContact NH1-OD1 3.47Å; R146-D157 PolarHBondContact NH1-OD1 3.04Å; R146-D157 IonicContact NH2-OD1 3.55Å; R146-D157 PolarHBondContact NH2-OD1 2.82Å; S155-D157 PolarHBondContact O-N 2.91Å; S155-D157 PolarHBondContact OG-N 3.32Å; S155-D157 VanDerWaalsContact OG-N 3.12Å; D157-G159 PolarHBondContact O-N 3.38Å; D157-T160 HydrophobicContact CB-CG2 4.17Å; D157-T160 WeakPolarHBondContact O-CB 3.45Å; D157-T160 WeakPolarHBondContact O-CG2 3.31Å; D157-T160 PolarHBondContact O-N 2.68Å; D157-T160 VanDerWaalsContact O-N 3.14Å; D157-T160 PolarHBondContact O-OG1 2.74Å; D157-T160 VanDerWaalsContact OD1-CG2 3.31Å; D157-T160 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.42Å
158L98Very high96.8Very high4 Ų424.5 Ų24.52%0.02113%0.127CC..THydrogen-bonded Turntrans-53.9124.4-168.7-177.564.1000113.5R146 L156 A230 V232R146-L158 VanDerWaalsContact CZ-O 3.3Å; R146-L158 PolarHBondContact NH1-O 2.82Å; L156-L158 PolarHBondContact O-N 2.71Å; L158-A230 HydrophobicContact CD1-CB 4.11Å; L158-A230 HydrophobicContact CD2-CB 4.25Å; L158-V232 HydrophobicContact CB-CB 4.33Å; L158-V232 HydrophobicContact CB-CG1 3.94Å
159G95.5Very high96.7Very high0 Ų025.1 Ų25.10%013%0.133CC..THydrogen-bonded Turntrans92.2-0178.700000114.7D157 S174 H175 N176 K177D157-G159 PolarHBondContact O-N 3.38Å; G159-S174 WeakPolarHBondContact CA-O 2.96Å; G159-H175 CarbonylContact O-C 3.57Å; G159-H175 VanDerWaalsContact O-C 3.28Å; G159-H175 WeakPolarHBondContact O-CA 3.35Å; G159-H175 PolarHBondContact O-N 2.96Å; G159-N176 PolarHBondContact O-N 2.84Å; G159-N176 VanDerWaalsContact O-N 3.14Å; G159-K177 PolarHBondContact O-N 3.45Å
160T96.5Very high96.5Very high24 Ų2428.5 Ų28.515%0.14715%0.154CC..SBendtrans-92.84.4177.665.80000114.6D157 K177 F179D157-T160 HydrophobicContact CB-CG2 4.17Å; D157-T160 WeakPolarHBondContact O-CB 3.45Å; D157-T160 WeakPolarHBondContact O-CG2 3.31Å; D157-T160 PolarHBondContact O-N 2.68Å; D157-T160 VanDerWaalsContact O-N 3.14Å; D157-T160 PolarHBondContact O-OG1 2.74Å; D157-T160 VanDerWaalsContact OD1-CG2 3.31Å; D157-T160 WeakPolarHBondContact OD1-CG2 3.47Å; D157-T160 WeakPolarHBondContact OD2-CG2 3.42Å; T160-K177 WeakPolarHBondContact O-CE 3.47Å; T160-K177 WeakPolarHBondContact O-CG 3.23Å; T160-F179 HydrophobicContact CG2-CZ 4.41Å
161D96.2Very high96.4Very high25 Ų2528.6 Ų28.613%0.13416%0.155CC..SBendtrans-142.1176.2174.762.551.3000111.3A154 S155 F163 G164 N176A154-D161 WeakPolarHBondContact CA-OD2 3.47Å; S155-D161 WeakPolarHBondContact CA-OD2 3.47Å; S155-D161 WeakPolarHBondContact CB-OD2 3.29Å; S155-D161 PolarHBondContact N-OD2 2.82Å; D161-F163 PolarHBondContact O-N 2.76Å; D161-F163 VanDerWaalsContact OD1-CA 3.32Å; D161-F163 WeakPolarHBondContact OD1-CA 3.47Å; D161-F163 WeakPolarHBondContact OD1-CB 3.15Å; D161-F163 PolarHBondContact OD1-N 2.84Å; D161-G164 PolarHBondContact OD1-N 3.28Å; D161-N176 VanDerWaalsContact C-CA 3.45Å; D161-N176 VanDerWaalsContact O-CA 3.25Å; D161-N176 WeakPolarHBondContact O-CA 3.46Å; D161-N176 PolarHBondContact O-N 3.46Å
162K96.6Very high96.5Very high106 Ų10632.3 Ų32.346%0.46117%0.171SC..THydrogen-bonded Turntrans-79.210.6-17866.4-179.7179.7179.90114.9H175 N176 H221K162-H175 PolarHBondContact O-CE1 3.32Å; K162-N176 HydrophobicContact CB-CB 4.43Å; K162-H221 PolarHBondContact O-NE2 2.87Å
163F97.6Very high96.7Very high35 Ų3532.6 Ų32.615%0.15417%0.171CC..THydrogen-bonded Turntrans-122.60.5-171.8-63.2-64.1000113.6T151 Q153 A154 D161 M222T151-F163 PolarHBondContact N-O 3.13Å; T151-F163 WeakPolarHBondContact OG1-CB 3.41Å; T151-F163 PolarHBondContact OG1-O 2.69Å; Q153-F163 HydrophobicContact CB-CD1 4.15Å; Q153-F163 HydrophobicContact CB-CD2 4.09Å; Q153-F163 HydrophobicContact CB-CE1 4.34Å; Q153-F163 HydrophobicContact CB-CE2 4.28Å; Q153-F163 HydrophobicContact CB-CG 4.02Å; Q153-F163 HydrophobicContact CB-CZ 4.38Å; Q153-F163 VanDerWaalsContact OE1-CE1 3.28Å; Q153-F163 VanDerWaalsContact OE1-CZ 3.3Å; A154-F163 HydrophobicContact CB-CB 3.79Å; D161-F163 PolarHBondContact O-N 2.76Å; D161-F163 VanDerWaalsContact OD1-CA 3.32Å; D161-F163 WeakPolarHBondContact OD1-CA 3.47Å; D161-F163 WeakPolarHBondContact OD1-CB 3.15Å; D161-F163 PolarHBondContact OD1-N 2.84Å; F163-M222 VanDerWaalsContact C-CE 3.49Å; F163-M222 VanDerWaalsContact O-CE 3.24Å; F163-M222 WeakPolarHBondContact O-CE 3.38Å
164G97Very high96.9Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-140.2157.9176.700000114.2W149 D161 H175W149-G164 CarbonylContact O-C 3.21Å; W149-G164 WeakPolarHBondContact O-CA 3.37Å; D161-G164 PolarHBondContact OD1-N 3.28Å; G164-H175 PolarHBondContact O-ND1 2.79Å
165F98.2Very high97Very high1 Ų128.3 Ų28.30%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-127.2116.8-178.5-53.5-69.4000108.6G148 W149 H175 V203 F216 I218 M222 L227G148-F165 WeakPolarHBondContact CA-O 3.45Å; W149-F165 HydrophobicContact CB-CD2 4.45Å; W149-F165 PolarHBondContact N-O 3.39Å; W149-F165 PolarHBondContact O-N 3.2Å; F165-H175 HydrophobicContact CD1-CB 4.33Å; F165-H175 AromaticContact CD1-ND1 3.56Å; F165-H175 AromaticContact CE1-CE1 3.67Å; F165-H175 AromaticContact CE1-ND1 3.5Å; F165-H175 WeakPolarHBondContact CE1-ND1 3.4Å; F165-V203 HydrophobicContact CD2-CG2 4.15Å; F165-V203 HydrophobicContact CE2-CG2 4.49Å; F165-F216 HydrophobicContact CB-CD2 3.7Å; F165-F216 HydrophobicContact CB-CE2 3.71Å; F165-F216 HydrophobicContact CB-CG 4.28Å; F165-F216 HydrophobicContact CB-CZ 4.31Å; F165-F216 HydrophobicContact CD1-CB 3.79Å; F165-F216 AromaticContact CD1-CD1 3.82Å; F165-F216 HydrophobicContact CD1-CD1 3.82Å; F165-F216 AromaticContact CD1-CD2 3.89Å; F165-F216 HydrophobicContact CD1-CD2 3.89Å; F165-F216 HydrophobicContact CD1-CE1 4.33Å; F165-F216 HydrophobicContact CD1-CE2 4.38Å; F165-F216 AromaticContact CD1-CG 3.56Å; F165-F216 HydrophobicContact CD1-CG 3.56Å; F165-F216 HydrophobicContact CE1-CB 4.03Å; F165-F216 HydrophobicContact CE1-CD1 4.45Å; F165-F216 HydrophobicContact CE1-CG 4.25Å; F165-F216 HydrophobicContact CG-CB 4.44Å; F165-F216 HydrophobicContact CG-CD2 4.06Å; F165-F216 HydrophobicContact CG-CE2 4.46Å; F165-F216 HydrophobicContact CG-CG 4.18Å; F165-I218 HydrophobicContact CE2-CG1 4.26Å; F165-I218 HydrophobicContact CZ-CG1 4.35Å; F165-M222 HydrophobicContact CD2-CE 4.47Å; F165-M222 HydrophobicContact CE2-CE 3.58Å; F165-M222 HydrophobicContact CE2-SD 4.12Å; F165-M222 HydrophobicContact CZ-CE 3.79Å; F165-M222 HydrophobicContact CZ-SD 3.67Å; F165-L227 HydrophobicContact CD2-CD2 4.46Å; F165-L227 HydrophobicContact CE2-CD1 4.43Å; F165-L227 HydrophobicContact CE2-CD2 4.21Å
166G98.1Very high97.1Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-115.7148.1179.500000112.5V147 K173 S174V147-G166 CarbonylContact O-C 2.87Å; V147-G166 WeakPolarHBondContact O-CA 2.98Å; G166-K173 CarbonylContact O-C 3.56Å; G166-K173 VanDerWaalsContact O-CA 3.32Å; G166-K173 WeakPolarHBondContact O-CA 3.48Å; G166-S174 PolarHBondContact N-O 3.41Å; G166-S174 PolarHBondContact O-N 3.39Å; G166-S174 PolarHBondContact O-OG 2.93Å
167F98.7Very high97Very high0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-124.6123163.3174.6-130.4000108.1R146 V147 K172 Y182 F186 I192 F205 L212R146-F167 CarbonylContact C-O 3.57Å; R146-F167 VanDerWaalsContact CA-O 3.25Å; R146-F167 WeakPolarHBondContact CA-O 3.43Å; V147-F167 PolarHBondContact N-O 3.29Å; V147-F167 PolarHBondContact O-N 3.26Å; F167-K172 WeakPolarHBondContact CA-O 3.34Å; F167-K172 WeakPolarHBondContact CD2-O 3.33Å; F167-Y182 AromaticContact CD2-CD1 3.79Å; F167-Y182 HydrophobicContact CD2-CD1 3.79Å; F167-Y182 HydrophobicContact CD2-CE1 4.24Å; F167-Y182 AromaticContact CE2-CD1 3.85Å; F167-Y182 HydrophobicContact CE2-CD1 3.85Å; F167-Y182 HydrophobicContact CE2-CE1 4.34Å; F167-F186 HydrophobicContact CD1-CD1 4.37Å; F167-F186 AromaticContact CD1-CE1 3.63Å; F167-F186 HydrophobicContact CD1-CE1 3.63Å; F167-F186 HydrophobicContact CD1-CZ 4.37Å; F167-F186 HydrophobicContact CD2-CE1 4.48Å; F167-F186 AromaticContact CE1-CD1 3.66Å; F167-F186 HydrophobicContact CE1-CD1 3.66Å; F167-F186 AromaticContact CE1-CE1 3.37Å; F167-F186 HydrophobicContact CE1-CE1 3.37Å; F167-F186 HydrophobicContact CE1-CZ 4.43Å; F167-F186 HydrophobicContact CE2-CE1 4.26Å; F167-F186 HydrophobicContact CG-CE1 4.19Å; F167-F186 AromaticContact CZ-CD1 3.79Å; F167-F186 HydrophobicContact CZ-CD1 3.79Å; F167-F186 AromaticContact CZ-CE1 3.71Å; F167-F186 HydrophobicContact CZ-CE1 3.71Å; F167-I192 HydrophobicContact CD1-CG2 3.99Å; F167-I192 HydrophobicContact CE1-CD1 4.24Å; F167-I192 HydrophobicContact CE1-CG2 4.28Å; F167-F205 HydrophobicContact CB-CD1 3.94Å; F167-F205 HydrophobicContact CB-CD2 3.71Å; F167-F205 HydrophobicContact CB-CE1 3.86Å; F167-F205 HydrophobicContact CB-CE2 3.66Å; F167-F205 HydrophobicContact CB-CG 3.86Å; F167-F205 HydrophobicContact CB-CZ 3.72Å; F167-F205 HydrophobicContact CD1-CB 3.84Å; F167-F205 HydrophobicContact CD1-CD1 4.09Å; F167-F205 HydrophobicContact CD1-CD2 4.34Å; F167-F205 AromaticContact CD1-CG 3.83Å; F167-F205 HydrophobicContact CD1-CG 3.83Å; F167-F205 HydrophobicContact CE1-CB 4.29Å; F167-F205 HydrophobicContact CG-CB 4.42Å; F167-F205 HydrophobicContact CG-CD1 4.41Å; F167-F205 HydrophobicContact CG-CD2 4.11Å; F167-F205 HydrophobicContact CG-CG 4.06Å; F167-L212 HydrophobicContact CE1-CD1 3.66Å; F167-L212 HydrophobicContact CE2-CD1 4.46Å; F167-L212 HydrophobicContact CZ-CD1 3.58Å
168G97.7Very high97Very high3 Ų338 Ų383%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-108156.3-170.800000114.4C145 R146 T170 G171 K172 F186C145-G168 CarbonylContact O-C 3.55Å; C145-G168 WeakPolarHBondContact O-CA 3.28Å; R146-G168 VanDerWaalsContact CG-CA 3.46Å; G168-T170 PolarHBondContact O-N 2.73Å; G168-G171 PolarHBondContact O-N 3.06Å; G168-K172 PolarHBondContact N-O 2.93Å; G168-F186 VanDerWaalsContact C-CZ 3.44Å; G168-F186 WeakPolarHBondContact O-CE1 3.41Å
169G94.5Very high97Very high12 Ų1242.3 Ų42.312%0.12421%0.205CC..THydrogen-bonded Turntrans-55.7-16.6-179.900000114.9C145 G171 E185 F186C145-G169 PolarHBondContact O-N 3.33Å; G169-G171 VanDerWaalsContact C-N 3.26Å; G169-G171 PolarHBondContact O-N 3.2Å; G169-E185 CarbonylContact O-C 3.53Å; G169-E185 WeakPolarHBondContact O-CA 3.47Å; G169-E185 WeakPolarHBondContact O-CB 3.42Å; G169-F186 VanDerWaalsContact CA-O 3.28Å; G169-F186 WeakPolarHBondContact CA-O 3.46Å; G169-F186 VanDerWaalsContact N-CZ 3.31Å; G169-F186 PolarHBondContact O-N 2.93Å
170T95.2Very high97.1Very high72 Ų7246 Ų4644%0.44223%0.225SC..THydrogen-bonded Turntrans-85.314.7173.456.10000113.9L144 G168 K172L144-T170 HydrophobicContact CD2-CG2 4.34Å; G168-T170 PolarHBondContact O-N 2.73Å; T170-K172 PolarHBondContact O-N 3.5Å
171G97Very high97.1Very high4 Ų451.2 Ų51.24%0.04125%0.252CS..SBendtrans74.510.617800000114.6G168 G169 Y182 G183 E184G168-G171 PolarHBondContact O-N 3.06Å; G169-G171 VanDerWaalsContact C-N 3.26Å; G169-G171 PolarHBondContact O-N 3.2Å; G171-Y182 PolarHBondContact O-N 2.66Å; G171-G183 PolarHBondContact O-N 2.98Å; G171-E184 WeakPolarHBondContact CA-O 3.13Å
172K98.4Very high97.2Very high78 Ų7852 Ų5234%0.33925%0.253SS..EExtended strand (participates in β ladder)trans-102.3138.2-176.6-63.8-172.5-179.1-174.40112.6F167 G168 T170 F179 D180 N181F167-K172 WeakPolarHBondContact CA-O 3.34Å; F167-K172 WeakPolarHBondContact CD2-O 3.33Å; G168-K172 PolarHBondContact N-O 2.93Å; T170-K172 PolarHBondContact O-N 3.5Å; K172-F179 HydrophobicContact CD-CB 4.18Å; K172-D180 CarbonylContact C-O 3.5Å; K172-D180 WeakPolarHBondContact CA-O 3.39Å; K172-D180 WeakPolarHBondContact CB-O 3.28Å; K172-N181 WeakPolarHBondContact CE-OD1 3.48Å
173K98.4Very high97.1Very high46 Ų4648.2 Ų48.220%0.224%0.244CC..EExtended strand (participates in β ladder)trans-88.7143164.873.8177.6176.4179.40109.2G166 F179 D180 Y182 A215 F216G166-K173 CarbonylContact O-C 3.56Å; G166-K173 VanDerWaalsContact O-CA 3.32Å; G166-K173 WeakPolarHBondContact O-CA 3.48Å; K173-F179 CarbonylContact O-C 3.52Å; K173-F179 WeakPolarHBondContact O-CA 3.3Å; K173-D180 HydrophobicContact CG-CB 4.13Å; K173-D180 PolarHBondContact N-O 3.12Å; K173-D180 PolarHBondContact O-N 2.96Å; K173-Y182 HydrophobicContact CB-CD1 4.06Å; K173-Y182 HydrophobicContact CB-CG 3.93Å; K173-Y182 HydrophobicContact CD-CD2 3.96Å; K173-Y182 HydrophobicContact CD-CG 3.88Å; K173-Y182 HydrophobicContact CG-CG 4.15Å; K173-A215 HydrophobicContact CD-CB 4.37Å; K173-A215 VanDerWaalsContact CD-O 3.27Å; K173-A215 WeakPolarHBondContact CD-O 3.06Å; K173-A215 PolarHBondContact NZ-O 2.85Å; K173-F216 HydrophobicContact CB-CE1 4.17Å; K173-F216 HydrophobicContact CB-CE2 4.09Å; K173-F216 HydrophobicContact CB-CZ 3.55Å; K173-F216 HydrophobicContact CD-CD1 4.49Å; K173-F216 HydrophobicContact CD-CE1 4.02Å; K173-F216 HydrophobicContact CD-CZ 4.14Å; K173-F216 HydrophobicContact CG-CE1 4.11Å; K173-F216 HydrophobicContact CG-CZ 4Å
174S98.3Very high96.9Very high0 Ų050.3 Ų50.30%025%0.254CS..EExtended strand (participates in β ladder)trans-134.5130-176.661.20000113.6G159 G166 Q178 F179G159-S174 WeakPolarHBondContact CA-O 2.96Å; G166-S174 PolarHBondContact N-O 3.41Å; G166-S174 PolarHBondContact O-N 3.39Å; G166-S174 PolarHBondContact O-OG 2.93Å; S174-Q178 WeakPolarHBondContact CA-O 3.32Å; S174-F179 VanDerWaalsContact CB-CD1 3.47Å
175H97.5Very high96.9Very high36 Ų3657 Ų5717%0.16729%0.286CS..EExtended strand (participates in β ladder)trans-151.2136.1173.1176.873.4000109.2G159 K162 G164 F165 K177 Q178 F216G159-H175 CarbonylContact O-C 3.57Å; G159-H175 VanDerWaalsContact O-C 3.28Å; G159-H175 WeakPolarHBondContact O-CA 3.35Å; G159-H175 PolarHBondContact O-N 2.96Å; K162-H175 PolarHBondContact O-CE1 3.32Å; G164-H175 PolarHBondContact O-ND1 2.79Å; F165-H175 HydrophobicContact CD1-CB 4.33Å; F165-H175 AromaticContact CD1-ND1 3.56Å; F165-H175 AromaticContact CE1-CE1 3.67Å; F165-H175 AromaticContact CE1-ND1 3.5Å; F165-H175 WeakPolarHBondContact CE1-ND1 3.4Å; H175-K177 VanDerWaalsContact C-N 3.3Å; H175-K177 PolarHBondContact O-N 3.12Å; H175-Q178 PolarHBondContact N-O 2.87Å; H175-Q178 VanDerWaalsContact N-O 3.14Å; H175-Q178 WeakPolarHBondContact O-CB 3.44Å; H175-Q178 PolarHBondContact O-N 2.97Å; H175-F216 HydrophobicContact CB-CD1 4.14Å; H175-F216 HydrophobicContact CB-CE1 3.65Å; H175-F216 HydrophobicContact CB-CZ 4.39Å
176N96.7Very high96.9Very high80 Ų8057.4 Ų57.443%0.42829%0.287SS..THydrogen-bonded Turntrans5143.3178.1-164.340.5000114.7G159 D161 K162 Q178G159-N176 PolarHBondContact O-N 2.84Å; G159-N176 VanDerWaalsContact O-N 3.14Å; D161-N176 VanDerWaalsContact C-CA 3.45Å; D161-N176 VanDerWaalsContact O-CA 3.25Å; D161-N176 WeakPolarHBondContact O-CA 3.46Å; D161-N176 PolarHBondContact O-N 3.46Å; K162-N176 HydrophobicContact CB-CB 4.43Å; N176-Q178 PolarHBondContact O-N 2.9Å; N176-Q178 VanDerWaalsContact O-N 3.16Å
177K94.4Very high96.7Very high151 Ų15160.4 Ų60.466%0.65731%0.306SS*.THydrogen-bonded Turntrans63.49.4-176.7-48.9-174.2177.9179.40115.1G159 T160 H175 F179G159-K177 PolarHBondContact O-N 3.45Å; T160-K177 WeakPolarHBondContact O-CE 3.47Å; T160-K177 WeakPolarHBondContact O-CG 3.23Å; H175-K177 VanDerWaalsContact C-N 3.3Å; H175-K177 PolarHBondContact O-N 3.12Å; K177-F179 WeakPolarHBondContact O-CD2 3.39Å
178Q96.9Very high96.3Very high121 Ų12163.5 Ų63.557%0.56532%0.321SS*.EExtended strand (participates in β ladder)trans-91135.7168.8-62.4-178.7-7.200108.5S174 H175 N176S174-Q178 WeakPolarHBondContact CA-O 3.32Å; H175-Q178 PolarHBondContact N-O 2.87Å; H175-Q178 VanDerWaalsContact N-O 3.14Å; H175-Q178 WeakPolarHBondContact O-CB 3.44Å; H175-Q178 PolarHBondContact O-N 2.97Å; N176-Q178 PolarHBondContact O-N 2.9Å; N176-Q178 VanDerWaalsContact O-N 3.16Å
179F96.8Very high96Very high94 Ų9470.1 Ų70.141%0.41235%0.351SS..EExtended strand (participates in β ladder)trans-129.394.4-176-67.4-96.1000109.1T160 K172 K173 S174 K177T160-F179 HydrophobicContact CG2-CZ 4.41Å; K172-F179 HydrophobicContact CD-CB 4.18Å; K173-F179 CarbonylContact O-C 3.52Å; K173-F179 WeakPolarHBondContact O-CA 3.3Å; S174-F179 VanDerWaalsContact CB-CD1 3.47Å; K177-F179 WeakPolarHBondContact O-CD2 3.39Å
180D97.6Very high96.2Very high78 Ų7870.7 Ų70.742%0.41735%0.351SS..EExtended strand (participates in β ladder)trans-101.9145.4-173.7-56-48.7000110.9K172 K173 Y182K172-D180 CarbonylContact C-O 3.5Å; K172-D180 WeakPolarHBondContact CA-O 3.39Å; K172-D180 WeakPolarHBondContact CB-O 3.28Å; K173-D180 HydrophobicContact CG-CB 4.13Å; K173-D180 PolarHBondContact N-O 3.12Å; K173-D180 PolarHBondContact O-N 2.96Å; D180-Y182 PolarHBondContact O-N 2.81Å
181N97.7Very high96.3Very high134 Ų13467.3 Ų67.372%0.71733%0.33SS*.EExtended strand (participates in β ladder)trans-62.4136168.8-64.4-17.5000109.1K172K172-N181 WeakPolarHBondContact CE-OD1 3.48Å
182Y97.3Very high96.4Very high41 Ų4167.1 Ų67.116%0.16133%0.328CS..  trans-146.6-54-174.5162.3-107.7000112.5F167 G171 K173 D180 F205 L212 G213 L214 A215F167-Y182 AromaticContact CD2-CD1 3.79Å; F167-Y182 HydrophobicContact CD2-CD1 3.79Å; F167-Y182 HydrophobicContact CD2-CE1 4.24Å; F167-Y182 AromaticContact CE2-CD1 3.85Å; F167-Y182 HydrophobicContact CE2-CD1 3.85Å; F167-Y182 HydrophobicContact CE2-CE1 4.34Å; G171-Y182 PolarHBondContact O-N 2.66Å; K173-Y182 HydrophobicContact CB-CD1 4.06Å; K173-Y182 HydrophobicContact CB-CG 3.93Å; K173-Y182 HydrophobicContact CD-CD2 3.96Å; K173-Y182 HydrophobicContact CD-CG 3.88Å; K173-Y182 HydrophobicContact CG-CG 4.15Å; D180-Y182 PolarHBondContact O-N 2.81Å; Y182-F205 HydrophobicContact CE1-CB 4.26Å; Y182-F205 AromaticContact CE1-CD2 3.89Å; Y182-F205 HydrophobicContact CE1-CD2 3.89Å; Y182-F205 PolarHBondContact OH-N 2.87Å; Y182-L212 HydrophobicContact CE1-CB 3.88Å; Y182-L212 HydrophobicContact CE1-CD1 4.25Å; Y182-L212 WeakPolarHBondContact CE2-O 3.31Å; Y182-G213 PolarHBondContact OH-O 3.19Å; Y182-L214 WeakPolarHBondContact CE2-O 3.32Å; Y182-A215 HydrophobicContact CD1-CB 4.49Å; Y182-A215 HydrophobicContact CD2-CB 4.29Å; Y182-A215 HydrophobicContact CE1-CB 3.97Å; Y182-A215 VanDerWaalsContact CE2-CA 3.48Å; Y182-A215 HydrophobicContact CE2-CB 3.72Å
183G94.8Very high96.4Very high26 Ų2663.4 Ų63.427%0.26831%0.313SS..SBendtrans-123.7-157.2-174.500000111.9G171G171-G183 PolarHBondContact O-N 2.98Å
184E94.6Very high96.4Very high79 Ų7961.2 Ų61.237%0.36930%0.303SS..  trans-93.8150174.8-65174.1-170.200110.5G171 K207 K210G171-E184 WeakPolarHBondContact CA-O 3.13Å; E184-K207 HydrophobicContact CB-CD 4.01Å; E184-K210 IonicContact OE1-NZ 2.7Å; E184-K210 PolarHBondContact OE1-NZ 2.77Å
185E96.3Very high96.4Very high140 Ų14062 Ų6265%0.65431%0.306SS*.  trans-58.6147.8168.1-61-174.616900110.4G169 K207G169-E185 CarbonylContact O-C 3.53Å; G169-E185 WeakPolarHBondContact O-CA 3.47Å; G169-E185 WeakPolarHBondContact O-CB 3.42Å; E185-K207 WeakPolarHBondContact O-CE 3.33Å; E185-K207 PolarHBondContact O-NZ 3.36Å
186F97.2Very high96.4Very high10 Ų1060.2 Ų60.24%0.04430%0.298CS..  trans-145.1150.6177.966.2-96.5000111.5C145 F167 G168 G169 D190 I192 K207C145-F186 VanDerWaalsContact SG-CE2 3.51Å; F167-F186 HydrophobicContact CD1-CD1 4.37Å; F167-F186 AromaticContact CD1-CE1 3.63Å; F167-F186 HydrophobicContact CD1-CE1 3.63Å; F167-F186 HydrophobicContact CD1-CZ 4.37Å; F167-F186 HydrophobicContact CD2-CE1 4.48Å; F167-F186 AromaticContact CE1-CD1 3.66Å; F167-F186 HydrophobicContact CE1-CD1 3.66Å; F167-F186 AromaticContact CE1-CE1 3.37Å; F167-F186 HydrophobicContact CE1-CE1 3.37Å; F167-F186 HydrophobicContact CE1-CZ 4.43Å; F167-F186 HydrophobicContact CE2-CE1 4.26Å; F167-F186 HydrophobicContact CG-CE1 4.19Å; F167-F186 AromaticContact CZ-CD1 3.79Å; F167-F186 HydrophobicContact CZ-CD1 3.79Å; F167-F186 AromaticContact CZ-CE1 3.71Å; F167-F186 HydrophobicContact CZ-CE1 3.71Å; G168-F186 VanDerWaalsContact C-CZ 3.44Å; G168-F186 WeakPolarHBondContact O-CE1 3.41Å; G169-F186 VanDerWaalsContact CA-O 3.28Å; G169-F186 WeakPolarHBondContact CA-O 3.46Å; G169-F186 VanDerWaalsContact N-CZ 3.31Å; G169-F186 PolarHBondContact O-N 2.93Å; F186-D190 WeakPolarHBondContact CA-OD2 3.36Å; F186-D190 HydrophobicContact CB-CB 3.94Å; F186-D190 WeakPolarHBondContact CB-OD2 3.21Å; F186-I192 HydrophobicContact CB-CD1 3.89Å; F186-I192 HydrophobicContact CD1-CD1 3.69Å; F186-I192 HydrophobicContact CD1-CG1 4.14Å; F186-I192 HydrophobicContact CD2-CD1 3.87Å; F186-I192 HydrophobicContact CD2-CG1 3.72Å; F186-I192 HydrophobicContact CE1-CD1 4.11Å; F186-I192 HydrophobicContact CE1-CG1 4.13Å; F186-I192 HydrophobicContact CE2-CD1 4.27Å; F186-I192 HydrophobicContact CE2-CG1 3.71Å; F186-I192 HydrophobicContact CG-CD1 3.56Å; F186-I192 HydrophobicContact CG-CG1 3.95Å; F186-I192 HydrophobicContact CZ-CD1 4.39Å; F186-I192 HydrophobicContact CZ-CG1 3.92Å; F186-K207 HydrophobicContact CB-CD 4.15Å; F186-K207 HydrophobicContact CB-CG 4.48Å
187T94.3Very high96.4Very high63 Ų6356.8 Ų56.839%0.38728%0.28SS..  trans-153.4-163.1-175.4-166.90000110.7C139 H189 D190C139-T187 WeakPolarHBondContact CB-O 3.28Å; T187-H189 PolarHBondContact O-N 3.07Å; T187-D190 PolarHBondContact N-OD2 2.87Å; T187-D190 VanDerWaalsContact O-CB 3.27Å; T187-D190 WeakPolarHBondContact O-CB 3.38Å; T187-D190 PolarHBondContact O-N 3.05Å
188M91Very high96.5Very high66 Ų6651.3 Ų51.333%0.32526%0.257SS..THydrogen-bonded Turntrans-38.8132.7175.7-169.6178.2-179.100112.6D141 Q142 D190D141-M188 PolarHBondContact O-N 2.85Å; Q142-M188 HydrophobicContact CG-CB 4.04Å; Q142-M188 HydrophobicContact CG-SD 4.16Å; M188-D190 VanDerWaalsContact C-N 3.29Å; M188-D190 PolarHBondContact O-N 2.84Å
189H91.1Very high96.2Very high141 Ų14150.9 Ų50.965%0.65326%0.259SS*.THydrogen-bonded Turntrans75.6-11.2-175.5-48.8-61.1000117.4C139 T187C139-H189 PolarHBondContact O-N 2.75Å; T187-H189 PolarHBondContact O-N 3.07Å
190D97.9Very high96.2Very high24 Ų2453.3 Ų53.313%0.12827%0.269CS..  trans-74.8146.5171.9-70.2-48000111.6C139 F186 T187 M188 K207 N208C139-D190 PolarHBondContact N-O 2.98Å; F186-D190 WeakPolarHBondContact CA-OD2 3.36Å; F186-D190 HydrophobicContact CB-CB 3.94Å; F186-D190 WeakPolarHBondContact CB-OD2 3.21Å; T187-D190 PolarHBondContact N-OD2 2.87Å; T187-D190 VanDerWaalsContact O-CB 3.27Å; T187-D190 WeakPolarHBondContact O-CB 3.38Å; T187-D190 PolarHBondContact O-N 3.05Å; M188-D190 VanDerWaalsContact C-N 3.29Å; M188-D190 PolarHBondContact O-N 2.84Å; D190-K207 WeakPolarHBondContact OD1-CE 3.32Å; D190-K207 IonicContact OD1-NZ 2.65Å; D190-K207 WeakPolarHBondContact OD2-CE 3.5Å; D190-K207 IonicContact OD2-NZ 3.94Å; D190-K207 PolarHBondContact OD2-NZ 3.3Å; D190-N208 PolarHBondContact OD1-ND2 3.48Å
191T98.3Very high96.1Very high1 Ų150 Ų501%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-115.8126.3172-55.50000109.7E136 V137 S138 N208 F249E136-T191 HydrophobicContact CB-CG2 3.95Å; E136-T191 HydrophobicContact CG-CG2 4.03Å; V137-T191 CarbonylContact O-C 3.58Å; V137-T191 WeakPolarHBondContact O-CA 3.26Å; S138-T191 PolarHBondContact OG-OG1 3.5Å; T191-N208 PolarHBondContact N-OD1 2.83Å; T191-N208 PolarHBondContact O-N 3.15Å; T191-F249 HydrophobicContact CG2-CD2 4.07Å; T191-F249 HydrophobicContact CG2-CE2 4.35Å
192I98.6Very high96.1Very high0 Ų046.8 Ų46.80%023%0.234CC..EExtended strand (participates in β ladder)trans-103.5119.3179-55.8-52.1000109.9E136 V137 V147 F167 F186 F205 S206 K207E136-I192 CarbonylContact C-O 3.53Å; E136-I192 WeakPolarHBondContact CA-O 2.77Å; V137-I192 PolarHBondContact N-O 2.95Å; V137-I192 PolarHBondContact O-N 3Å; V147-I192 HydrophobicContact CG2-CB 4.29Å; V147-I192 HydrophobicContact CG2-CG2 3.79Å; F167-I192 HydrophobicContact CD1-CG2 3.99Å; F167-I192 HydrophobicContact CE1-CD1 4.24Å; F167-I192 HydrophobicContact CE1-CG2 4.28Å; F186-I192 HydrophobicContact CB-CD1 3.89Å; F186-I192 HydrophobicContact CD1-CD1 3.69Å; F186-I192 HydrophobicContact CD1-CG1 4.14Å; F186-I192 HydrophobicContact CD2-CD1 3.87Å; F186-I192 HydrophobicContact CD2-CG1 3.72Å; F186-I192 HydrophobicContact CE1-CD1 4.11Å; F186-I192 HydrophobicContact CE1-CG1 4.13Å; F186-I192 HydrophobicContact CE2-CD1 4.27Å; F186-I192 HydrophobicContact CE2-CG1 3.71Å; F186-I192 HydrophobicContact CG-CD1 3.56Å; F186-I192 HydrophobicContact CG-CG1 3.95Å; F186-I192 HydrophobicContact CZ-CD1 4.39Å; F186-I192 HydrophobicContact CZ-CG1 3.92Å; I192-F205 HydrophobicContact CG2-CD1 4.24Å; I192-S206 CarbonylContact C-O 3.49Å; I192-S206 WeakPolarHBondContact CA-O 3.21Å; I192-K207 HydrophobicContact CD1-CB 4.07Å; I192-K207 HydrophobicContact CD1-CG 3.99Å
193G98.4Very high96.1Very high1 Ų144.8 Ų44.81%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-85.3128.1170.700000110.6Y134 F205 S206Y134-G193 WeakPolarHBondContact OH-CA 3.48Å; G193-F205 CarbonylContact O-C 3.32Å; G193-F205 WeakPolarHBondContact O-CA 3.17Å; G193-S206 WeakPolarHBondContact CA-OG 3.1Å; G193-S206 PolarHBondContact N-O 3.29Å; G193-S206 PolarHBondContact N-OG 3.1Å; G193-S206 PolarHBondContact O-N 3.39Å
194C98.6Very high96.3Very high0 Ų045.1 Ų45.10%022%0.22CC..EExtended strand (participates in β ladder)trans-112.5114.3-178.2-63.60000109.6Y134 Y135 W149 F205Y134-C194 WeakPolarHBondContact CA-O 3.49Å; Y135-C194 HydrophobicContact CD1-CB 3.71Å; Y135-C194 HydrophobicContact CD2-CB 4.23Å; Y135-C194 HydrophobicContact CE1-CB 3.29Å; Y135-C194 HydrophobicContact CE2-CB 3.84Å; Y135-C194 HydrophobicContact CG-CB 4.16Å; Y135-C194 VanDerWaalsContact CZ-SG 3.57Å; Y135-C194 PolarHBondContact N-O 3.25Å; Y135-C194 VanDerWaalsContact N-O 3.15Å; Y135-C194 PolarHBondContact O-N 3.45Å; W149-C194 HydrophobicContact CZ2-CB 4.43Å; C194-F205 HydrophobicContact CB-CD1 4.31Å; C194-F205 HydrophobicContact CB-CE1 4.31Å
195Y98.4Very high96.4Very high15 Ų1541.4 Ų41.46%0.05920%0.203CC..EExtended strand (participates in β ladder)trans-109.9137.3-175.7-58-102.5000110.7Y134 K204 S206 P251 F255Y134-Y195 AromaticContact CD2-CD1 3.55Å; Y134-Y195 HydrophobicContact CD2-CD1 3.55Å; Y134-Y195 AromaticContact CD2-CD2 3.97Å; Y134-Y195 HydrophobicContact CD2-CD2 3.97Å; Y134-Y195 AromaticContact CD2-CE1 3.37Å; Y134-Y195 HydrophobicContact CD2-CE1 3.37Å; Y134-Y195 AromaticContact CD2-CE2 3.82Å; Y134-Y195 HydrophobicContact CD2-CE2 3.82Å; Y134-Y195 AromaticContact CD2-CG 3.83Å; Y134-Y195 HydrophobicContact CD2-CG 3.83Å; Y134-Y195 AromaticContact CD2-CZ 3.51Å; Y134-Y195 HydrophobicContact CE2-CD1 4.19Å; Y134-Y195 HydrophobicContact CE2-CD2 4.07Å; Y134-Y195 AromaticContact CE2-CE1 3.64Å; Y134-Y195 HydrophobicContact CE2-CE1 3.64Å; Y134-Y195 AromaticContact CE2-CE2 3.51Å; Y134-Y195 HydrophobicContact CE2-CE2 3.51Å; Y134-Y195 HydrophobicContact CE2-CG 4.37Å; Y134-Y195 AromaticContact CE2-CZ 3.25Å; Y134-Y195 WeakPolarHBondContact CE2-OH 3.23Å; Y134-Y195 HydrophobicContact CG-CD1 4.41Å; Y134-Y195 HydrophobicContact CG-CE1 4.26Å; Y195-K204 VanDerWaalsContact CB-CG 3.5Å; Y195-K204 HydrophobicContact CD2-CG 3.95Å; Y195-K204 HydrophobicContact CG-CD 4.49Å; Y195-K204 HydrophobicContact CG-CG 3.84Å; Y195-K204 PolarHBondContact N-O 3.38Å; Y195-K204 PolarHBondContact O-N 3.35Å; Y195-K204 VanDerWaalsContact O-N 3.15Å; Y195-S206 WeakPolarHBondContact CE2-OG 3.45Å; Y195-S206 PolarHBondContact OH-OG 3.01Å; Y195-P251 HydrophobicContact CE1-CB 3.89Å; Y195-F255 HydrophobicContact CD1-CB 4.34Å; Y195-F255 AromaticContact CD1-CD1 3.89Å; Y195-F255 HydrophobicContact CD1-CD1 3.89Å; Y195-F255 HydrophobicContact CD1-CD2 4.02Å; Y195-F255 HydrophobicContact CD1-CE1 4.13Å; Y195-F255 HydrophobicContact CD1-CE2 4.24Å; Y195-F255 AromaticContact CD1-CG 3.83Å; Y195-F255 HydrophobicContact CD1-CG 3.83Å; Y195-F255 HydrophobicContact CD1-CZ 4.3Å; Y195-F255 HydrophobicContact CG-CE1 4.47Å
196L98Very high96.5Very high0 Ų034.7 Ų34.70%017%0.172CC..EExtended strand (participates in β ladder)trans-133.7116.9175.5176.764.5000110.5L128 K132 H133 W149 I198 V203 I218 L227L128-L196 HydrophobicContact CB-CD2 4.35Å; L128-L196 HydrophobicContact CD1-CD2 4.18Å; K132-L196 CarbonylContact C-O 3.5Å; K132-L196 WeakPolarHBondContact CA-O 3.2Å; H133-L196 PolarHBondContact N-O 3.45Å; H133-L196 PolarHBondContact O-N 2.97Å; W149-L196 HydrophobicContact CD2-CB 4.07Å; W149-L196 HydrophobicContact CD2-CD2 3.9Å; W149-L196 HydrophobicContact CD2-CG 4.46Å; W149-L196 HydrophobicContact CE3-CB 4.42Å; W149-L196 HydrophobicContact CE3-CD2 3.62Å; W149-L196 HydrophobicContact CH2-CB 3.75Å; W149-L196 HydrophobicContact CH2-CD2 3.98Å; W149-L196 HydrophobicContact CZ2-CB 3.37Å; W149-L196 HydrophobicContact CZ2-CD2 4.28Å; W149-L196 HydrophobicContact CZ2-CG 4.44Å; W149-L196 HydrophobicContact CZ3-CB 4.27Å; W149-L196 HydrophobicContact CZ3-CD2 3.66Å; L196-I198 HydrophobicContact CD1-CG1 3.99Å; L196-I198 HydrophobicContact CD2-CD1 3.83Å; L196-I198 HydrophobicContact CD2-CG1 3.74Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 3.66Å; L196-V203 HydrophobicContact CD1-CG2 3.8Å; L196-I218 HydrophobicContact CD1-CD1 3.98Å; L196-L227 HydrophobicContact CD1-CD1 3.62Å; L196-L227 HydrophobicContact CD2-CB 3.81Å; L196-L227 HydrophobicContact CD2-CD1 4.04Å
197D97.1Very high96.6Very high8 Ų835.9 Ų35.94%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-110.293171.1-176.8-21.5000107.6K132 D199 K200 G201 H202 F255K132-D197 WeakPolarHBondContact CE-OD2 3.04Å; K132-D197 HydrophobicContact CG-CB 4.15Å; D197-D199 VanDerWaalsContact C-N 3.27Å; D197-D199 PolarHBondContact O-N 2.87Å; D197-D199 PolarHBondContact OD1-N 2.8Å; D197-K200 PolarHBondContact OD1-N 2.86Å; D197-K200 WeakPolarHBondContact OD2-CD 3.34Å; D197-G201 CarbonylContact O-C 3.44Å; D197-G201 WeakPolarHBondContact O-CA 3.3Å; D197-G201 PolarHBondContact O-N 2.89Å; D197-H202 HydrophobicContact CB-CB 4.36Å; D197-H202 PolarHBondContact N-O 3.39Å; D197-H202 PolarHBondContact O-N 3.05Å; D197-F255 HydrophobicContact CB-CE1 4.15Å; D197-F255 HydrophobicContact CB-CZ 4.01Å
198I95Very high96.7Very high36 Ų3635.7 Ų35.719%0.18517%0.173CC..THydrogen-bonded Turntrans-68.9-32.2-177.6-61.8-179.7000110.9L128 M129 G131 L196 K200 G201L128-I198 HydrophobicContact CB-CD1 3.54Å; L128-I198 VanDerWaalsContact O-CD1 3.31Å; L128-I198 WeakPolarHBondContact O-CD1 3.39Å; M129-I198 VanDerWaalsContact C-CD1 3.47Å; M129-I198 WeakPolarHBondContact O-CG2 3.36Å; G131-I198 PolarHBondContact O-N 3.48Å; G131-I198 VanDerWaalsContact O-N 3.08Å; L196-I198 HydrophobicContact CD1-CG1 3.99Å; L196-I198 HydrophobicContact CD2-CD1 3.83Å; L196-I198 HydrophobicContact CD2-CG1 3.74Å; L196-I198 HydrophobicContact CG-CD1 4.31Å; L196-I198 HydrophobicContact CG-CG1 3.66Å; I198-K200 VanDerWaalsContact C-N 3.35Å; I198-K200 PolarHBondContact O-N 3.25Å; I198-G201 PolarHBondContact O-N 2.75Å; I198-G201 VanDerWaalsContact O-N 3.1Å
199D92.2Very high97Very high111 Ų11134.2 Ų34.259%0.59418%0.175SC*.THydrogen-bonded Turntrans-68-37.5-174.8-55.3-30.9000111G131 D197G131-D199 WeakPolarHBondContact CA-OD2 3.44Å; G131-D199 PolarHBondContact N-OD1 3.36Å; G131-D199 VanDerWaalsContact N-OD1 3.17Å; D197-D199 VanDerWaalsContact C-N 3.27Å; D197-D199 PolarHBondContact O-N 2.87Å; D197-D199 PolarHBondContact OD1-N 2.8Å
200K94.9Very high97.3Very high146 Ų14633.1 Ų33.164%0.63517%0.169SC*.THydrogen-bonded Turntrans-87.5-15.8169.3-65.5-171.7179.4-177.30113.7D197 I198D197-K200 PolarHBondContact OD1-N 2.86Å; D197-K200 WeakPolarHBondContact OD2-CD 3.34Å; I198-K200 VanDerWaalsContact C-N 3.35Å; I198-K200 PolarHBondContact O-N 3.25Å
201G95.9Very high97.3Very high9 Ų935.5 Ų35.59%0.09318%0.181CC..THydrogen-bonded Turntrans7238.5-174.100000112.9D197 I198 E217 I218D197-G201 CarbonylContact O-C 3.44Å; D197-G201 WeakPolarHBondContact O-CA 3.3Å; D197-G201 PolarHBondContact O-N 2.89Å; I198-G201 PolarHBondContact O-N 2.75Å; I198-G201 VanDerWaalsContact O-N 3.1Å; G201-E217 CarbonylContact O-C 3.41Å; G201-E217 VanDerWaalsContact O-CA 3.32Å; G201-E217 WeakPolarHBondContact O-CA 3.47Å; G201-I218 PolarHBondContact O-N 2.76Å
202H97.5Very high97.2Very high65 Ų6536.7 Ų36.730%0.30119%0.187SC..EExtended strand (participates in β ladder)trans-115.2138.8-176.4-70.2175.3000112.3D197 L214D197-H202 HydrophobicContact CB-CB 4.36Å; D197-H202 PolarHBondContact N-O 3.39Å; D197-H202 PolarHBondContact O-N 3.05Å; H202-L214 HydrophobicContact CB-CD1 3.55Å
203V98Very high97.1Very high0 Ų038.3 Ų38.30%020%0.204CC..EExtended strand (participates in β ladder)trans-118.9130.6169.8-179.60000108.6F165 L196 F205 A215 F216 I218F165-V203 HydrophobicContact CD2-CG2 4.15Å; F165-V203 HydrophobicContact CE2-CG2 4.49Å; L196-V203 HydrophobicContact CD1-CG2 3.8Å; V203-F205 HydrophobicContact CG1-CE2 3.93Å; V203-F205 HydrophobicContact CG1-CZ 3.93Å; V203-A215 WeakPolarHBondContact O-CA 3.39Å; V203-A215 WeakPolarHBondContact O-CB 3.32Å; V203-A215 PolarHBondContact O-N 3.47Å; V203-F216 HydrophobicContact CB-CB 4.21Å; V203-F216 HydrophobicContact CB-CD2 4.15Å; V203-F216 HydrophobicContact CG1-CD2 4.13Å; V203-F216 PolarHBondContact N-O 3.35Å; V203-F216 PolarHBondContact O-N 2.81Å; V203-F216 VanDerWaalsContact O-N 3.09Å; V203-I218 HydrophobicContact CG2-CG1 4.31Å
204K98Very high97.1Very high33 Ų3342 Ų4214%0.14322%0.223CC..EExtended strand (participates in β ladder)trans-140167.5173.767.1173.6-171.9170.90112Y195 D211 G213 D253Y195-K204 VanDerWaalsContact CB-CG 3.5Å; Y195-K204 HydrophobicContact CD2-CG 3.95Å; Y195-K204 HydrophobicContact CG-CD 4.49Å; Y195-K204 HydrophobicContact CG-CG 3.84Å; Y195-K204 PolarHBondContact N-O 3.38Å; Y195-K204 PolarHBondContact O-N 3.35Å; Y195-K204 VanDerWaalsContact O-N 3.15Å; K204-D211 IonicContact NZ-OD2 2.92Å; K204-D211 PolarHBondContact NZ-OD2 3.46Å; K204-G213 WeakPolarHBondContact CB-O 3.23Å; K204-D253 IonicContact NZ-OD2 2.69Å
205F98.5Very high97.1Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-133.5155.6-179.6-57.3-88.1000111.3F167 Y182 I192 G193 C194 V203 L212 A215 F216F167-F205 HydrophobicContact CB-CD1 3.94Å; F167-F205 HydrophobicContact CB-CD2 3.71Å; F167-F205 HydrophobicContact CB-CE1 3.86Å; F167-F205 HydrophobicContact CB-CE2 3.66Å; F167-F205 HydrophobicContact CB-CG 3.86Å; F167-F205 HydrophobicContact CB-CZ 3.72Å; F167-F205 HydrophobicContact CD1-CB 3.84Å; F167-F205 HydrophobicContact CD1-CD1 4.09Å; F167-F205 HydrophobicContact CD1-CD2 4.34Å; F167-F205 AromaticContact CD1-CG 3.83Å; F167-F205 HydrophobicContact CD1-CG 3.83Å; F167-F205 HydrophobicContact CE1-CB 4.29Å; F167-F205 HydrophobicContact CG-CB 4.42Å; F167-F205 HydrophobicContact CG-CD1 4.41Å; F167-F205 HydrophobicContact CG-CD2 4.11Å; F167-F205 HydrophobicContact CG-CG 4.06Å; Y182-F205 HydrophobicContact CE1-CB 4.26Å; Y182-F205 AromaticContact CE1-CD2 3.89Å; Y182-F205 HydrophobicContact CE1-CD2 3.89Å; Y182-F205 PolarHBondContact OH-N 2.87Å; I192-F205 HydrophobicContact CG2-CD1 4.24Å; G193-F205 CarbonylContact O-C 3.32Å; G193-F205 WeakPolarHBondContact O-CA 3.17Å; C194-F205 HydrophobicContact CB-CD1 4.31Å; C194-F205 HydrophobicContact CB-CE1 4.31Å; V203-F205 HydrophobicContact CG1-CE2 3.93Å; V203-F205 HydrophobicContact CG1-CZ 3.93Å; F205-L212 HydrophobicContact CB-CD1 4.34Å; F205-L212 VanDerWaalsContact O-CB 3.31Å; F205-L212 WeakPolarHBondContact O-CB 3.12Å; F205-L212 PolarHBondContact O-N 3.05Å; F205-A215 HydrophobicContact CD2-CB 3.76Å; F205-A215 HydrophobicContact CE2-CB 3.75Å; F205-F216 HydrophobicContact CE2-CD2 4.39Å; F205-F216 HydrophobicContact CE2-CE2 4.04Å
206S98.2Very high97.1Very high0 Ų042.4 Ų42.40%023%0.226CC..EExtended strand (participates in β ladder)trans-124.1152165.865.70000110.4I192 G193 Y195 K210I192-S206 CarbonylContact C-O 3.49Å; I192-S206 WeakPolarHBondContact CA-O 3.21Å; G193-S206 WeakPolarHBondContact CA-OG 3.1Å; G193-S206 PolarHBondContact N-O 3.29Å; G193-S206 PolarHBondContact N-OG 3.1Å; G193-S206 PolarHBondContact O-N 3.39Å; Y195-S206 WeakPolarHBondContact CE2-OG 3.45Å; Y195-S206 PolarHBondContact OH-OG 3.01Å; S206-K210 CarbonylContact C-O 3.5Å; S206-K210 WeakPolarHBondContact CA-O 3.41Å; S206-K210 WeakPolarHBondContact CB-O 3.39Å
207K98.3Very high97Very high34 Ų3449 Ų4915%0.14826%0.257CS..EExtended strand (participates in β ladder)trans-114.6121.7168.7-178.7-171.9177.2-171.70108.2E184 E185 F186 D190 I192 G209 K210 L212E184-K207 HydrophobicContact CB-CD 4.01Å; E185-K207 WeakPolarHBondContact O-CE 3.33Å; E185-K207 PolarHBondContact O-NZ 3.36Å; F186-K207 HydrophobicContact CB-CD 4.15Å; F186-K207 HydrophobicContact CB-CG 4.48Å; D190-K207 WeakPolarHBondContact OD1-CE 3.32Å; D190-K207 IonicContact OD1-NZ 2.65Å; D190-K207 WeakPolarHBondContact OD2-CE 3.5Å; D190-K207 IonicContact OD2-NZ 3.94Å; D190-K207 PolarHBondContact OD2-NZ 3.3Å; I192-K207 HydrophobicContact CD1-CB 4.07Å; I192-K207 HydrophobicContact CD1-CG 3.99Å; K207-G209 PolarHBondContact O-N 3.13Å; K207-G209 VanDerWaalsContact O-N 3.15Å; K207-K210 PolarHBondContact N-O 2.95Å; K207-K210 VanDerWaalsContact O-CB 3.3Å; K207-K210 WeakPolarHBondContact O-CB 3.31Å; K207-K210 PolarHBondContact O-N 3.48Å; K207-L212 HydrophobicContact CB-CD1 4.3Å
208N97.9Very high97Very high59 Ų5949.4 Ų49.432%0.31626%0.259SS..THydrogen-bonded Turntrans48.642.8-179.2-57.9-32000112.8D190 T191 K210 F249D190-N208 PolarHBondContact OD1-ND2 3.48Å; T191-N208 PolarHBondContact N-OD1 2.83Å; T191-N208 PolarHBondContact O-N 3.15Å; N208-K210 VanDerWaalsContact C-N 3.27Å; N208-K210 PolarHBondContact O-N 2.63Å; N208-F249 VanDerWaalsContact C-CD1 3.49Å; N208-F249 VanDerWaalsContact C-CE1 3.46Å; N208-F249 VanDerWaalsContact CA-CE2 3.45Å; N208-F249 HydrophobicContact CB-CE1 4.36Å; N208-F249 HydrophobicContact CB-CE2 4.06Å; N208-F249 HydrophobicContact CB-CZ 3.77Å; N208-F249 VanDerWaalsContact O-CE1 3.3Å; N208-F249 WeakPolarHBondContact O-CE1 3.36Å
209G96.2Very high97Very high36 Ų3649 Ų4937%0.37126%0.259SS..THydrogen-bonded Turntrans78.7-7.6-17800000116.2K207K207-G209 PolarHBondContact O-N 3.13Å; K207-G209 VanDerWaalsContact O-N 3.15Å
210K97.1Very high97Very high118 Ų11848.8 Ų48.851%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-81.4115.1173.6-175.9-176.3177-176.10110.3E184 S206 K207 N208E184-K210 IonicContact OE1-NZ 2.7Å; E184-K210 PolarHBondContact OE1-NZ 2.77Å; S206-K210 CarbonylContact C-O 3.5Å; S206-K210 WeakPolarHBondContact CA-O 3.41Å; S206-K210 WeakPolarHBondContact CB-O 3.39Å; K207-K210 PolarHBondContact N-O 2.95Å; K207-K210 VanDerWaalsContact O-CB 3.3Å; K207-K210 WeakPolarHBondContact O-CB 3.31Å; K207-K210 PolarHBondContact O-N 3.48Å; N208-K210 VanDerWaalsContact C-N 3.27Å; N208-K210 PolarHBondContact O-N 2.63Å
211D97.2Very high96.9Very high73 Ų7346 Ų4639%0.3925%0.253SS..EExtended strand (participates in β ladder)trans-62.5132175.5-166-20.5000111K204 G213K204-D211 IonicContact NZ-OD2 2.92Å; K204-D211 PolarHBondContact NZ-OD2 3.46Å; D211-G213 PolarHBondContact OD1-N 3.14Å
212L97.8Very high96.7Very high26 Ų2645.8 Ų45.814%0.13625%0.249CC..EExtended strand (participates in β ladder)trans-100.23.8-179.3-57.8172.6000113F167 Y182 F205 K207F167-L212 HydrophobicContact CE1-CD1 3.66Å; F167-L212 HydrophobicContact CE2-CD1 4.46Å; F167-L212 HydrophobicContact CZ-CD1 3.58Å; Y182-L212 HydrophobicContact CE1-CB 3.88Å; Y182-L212 HydrophobicContact CE1-CD1 4.25Å; Y182-L212 WeakPolarHBondContact CE2-O 3.31Å; F205-L212 HydrophobicContact CB-CD1 4.34Å; F205-L212 VanDerWaalsContact O-CB 3.31Å; F205-L212 WeakPolarHBondContact O-CB 3.12Å; F205-L212 PolarHBondContact O-N 3.05Å; K207-L212 HydrophobicContact CB-CD1 4.3Å
213G96.8Very high96.2Very high34 Ų3448.8 Ų48.835%0.35126%0.261SS..EExtended strand (participates in β ladder)trans87.1-168.9178.600000113.6Y182 K204 D211 A215Y182-G213 PolarHBondContact OH-O 3.19Å; K204-G213 WeakPolarHBondContact CB-O 3.23Å; D211-G213 PolarHBondContact OD1-N 3.14Å; G213-A215 PolarHBondContact O-N 2.93Å
214L98Very high95.7Very high78 Ų7855.7 Ų55.741%0.40830%0.298SS..EExtended strand (participates in β ladder)trans-75.5122.5-179.1-177.766.2000110.9Y182 H202 E217Y182-L214 WeakPolarHBondContact CE2-O 3.32Å; H202-L214 HydrophobicContact CB-CD1 3.55Å; L214-E217 HydrophobicContact CD2-CG 4.09Å
215A97.9Very high95.5Very high4 Ų456.6 Ų56.63%0.03330%0.303CS..EExtended strand (participates in β ladder)trans-87.4-52.2176.300000111.5K173 Y182 V203 F205 G213K173-A215 HydrophobicContact CD-CB 4.37Å; K173-A215 VanDerWaalsContact CD-O 3.27Å; K173-A215 WeakPolarHBondContact CD-O 3.06Å; K173-A215 PolarHBondContact NZ-O 2.85Å; Y182-A215 HydrophobicContact CD1-CB 4.49Å; Y182-A215 HydrophobicContact CD2-CB 4.29Å; Y182-A215 HydrophobicContact CE1-CB 3.97Å; Y182-A215 VanDerWaalsContact CE2-CA 3.48Å; Y182-A215 HydrophobicContact CE2-CB 3.72Å; V203-A215 WeakPolarHBondContact O-CA 3.39Å; V203-A215 WeakPolarHBondContact O-CB 3.32Å; V203-A215 PolarHBondContact O-N 3.47Å; F205-A215 HydrophobicContact CD2-CB 3.76Å; F205-A215 HydrophobicContact CE2-CB 3.75Å; G213-A215 PolarHBondContact O-N 2.93Å
216F97.9Very high95.4Very high21 Ų2157.2 Ų57.29%0.09231%0.308CS..EExtended strand (participates in β ladder)trans-141.8145.7-174.2-50.8-82.5000112.4F165 K173 H175 V203 F205F165-F216 HydrophobicContact CB-CD2 3.7Å; F165-F216 HydrophobicContact CB-CE2 3.71Å; F165-F216 HydrophobicContact CB-CG 4.28Å; F165-F216 HydrophobicContact CB-CZ 4.31Å; F165-F216 HydrophobicContact CD1-CB 3.79Å; F165-F216 AromaticContact CD1-CD1 3.82Å; F165-F216 HydrophobicContact CD1-CD1 3.82Å; F165-F216 AromaticContact CD1-CD2 3.89Å; F165-F216 HydrophobicContact CD1-CD2 3.89Å; F165-F216 HydrophobicContact CD1-CE1 4.33Å; F165-F216 HydrophobicContact CD1-CE2 4.38Å; F165-F216 AromaticContact CD1-CG 3.56Å; F165-F216 HydrophobicContact CD1-CG 3.56Å; F165-F216 HydrophobicContact CE1-CB 4.03Å; F165-F216 HydrophobicContact CE1-CD1 4.45Å; F165-F216 HydrophobicContact CE1-CG 4.25Å; F165-F216 HydrophobicContact CG-CB 4.44Å; F165-F216 HydrophobicContact CG-CD2 4.06Å; F165-F216 HydrophobicContact CG-CE2 4.46Å; F165-F216 HydrophobicContact CG-CG 4.18Å; K173-F216 HydrophobicContact CB-CE1 4.17Å; K173-F216 HydrophobicContact CB-CE2 4.09Å; K173-F216 HydrophobicContact CB-CZ 3.55Å; K173-F216 HydrophobicContact CD-CD1 4.49Å; K173-F216 HydrophobicContact CD-CE1 4.02Å; K173-F216 HydrophobicContact CD-CZ 4.14Å; K173-F216 HydrophobicContact CG-CE1 4.11Å; K173-F216 HydrophobicContact CG-CZ 4Å; H175-F216 HydrophobicContact CB-CD1 4.14Å; H175-F216 HydrophobicContact CB-CE1 3.65Å; H175-F216 HydrophobicContact CB-CZ 4.39Å; V203-F216 HydrophobicContact CB-CB 4.21Å; V203-F216 HydrophobicContact CB-CD2 4.15Å; V203-F216 HydrophobicContact CG1-CD2 4.13Å; V203-F216 PolarHBondContact N-O 3.35Å; V203-F216 PolarHBondContact O-N 2.81Å; V203-F216 VanDerWaalsContact O-N 3.09Å; F205-F216 HydrophobicContact CE2-CD2 4.39Å; F205-F216 HydrophobicContact CE2-CE2 4.04Å
217E97.6Very high95.4Very high139 Ų13957.4 Ų57.465%0.6531%0.309SS*.EExtended strand (participates in β ladder)trans-96.2132.4158.7-65.5-178.1-16800108.9G201 L214 P219G201-E217 CarbonylContact O-C 3.41Å; G201-E217 VanDerWaalsContact O-CA 3.32Å; G201-E217 WeakPolarHBondContact O-CA 3.47Å; L214-E217 HydrophobicContact CD2-CG 4.09Å; E217-P219 VanDerWaalsContact O-CD 3.22Å; E217-P219 WeakPolarHBondContact O-CD 3.3Å
218I96.1Very high95.4Very high15 Ų1555.9 Ų55.98%0.07730%0.302CS..PPolyproline II helixtrans-68.6117.3-179-62.7176.7000108.7F165 L196 G201 V203 M222 L227F165-I218 HydrophobicContact CE2-CG1 4.26Å; F165-I218 HydrophobicContact CZ-CG1 4.35Å; L196-I218 HydrophobicContact CD1-CD1 3.98Å; G201-I218 PolarHBondContact O-N 2.76Å; V203-I218 HydrophobicContact CG2-CG1 4.31Å; I218-M222 HydrophobicContact CG2-CB 3.78Å; I218-L227 HydrophobicContact CD1-CD1 3.56Å; I218-L227 HydrophobicContact CG1-CD1 4.36Å
219P94.5Very high95.4Very high28 Ų2853 Ų5318%0.18229%0.287CS..PPolyproline II helixtrans-61.5152.1-179-26.236.8000112.7E217 H221 M222 K223E217-P219 VanDerWaalsContact O-CD 3.22Å; E217-P219 WeakPolarHBondContact O-CD 3.3Å; P219-H221 WeakPolarHBondContact CB-CE1 3.43Å; P219-H221 WeakPolarHBondContact CB-ND1 3.42Å; P219-H221 PolarHBondContact O-N 3.26Å; P219-H221 VanDerWaalsContact O-N 3.11Å; P219-M222 HydrophobicContact CG-SD 4.36Å; P219-M222 PolarHBondContact O-N 3.17Å; P219-K223 PolarHBondContact O-N 2.72Å
220P92.9Very high95.6Very high106 Ų10651.5 Ų51.569%0.68827%0.271SS*.G310 helixtrans-52.6-36.3-179.5-28.335.3000115M222 K223P220-M222 PolarHBondContact O-N 3.41Å; P220-K223 WeakPolarHBondContact O-CB 3.02Å; P220-K223 PolarHBondContact O-N 3.48Å
221H92.2Very high95.6Very high89 Ų8945.9 Ų45.941%0.41225%0.247SC..G310 helixtrans-69.4-17.6-179.667.1-83.9000113.9K162 P219 Q225K162-H221 PolarHBondContact O-NE2 2.87Å; P219-H221 WeakPolarHBondContact CB-CE1 3.43Å; P219-H221 WeakPolarHBondContact CB-ND1 3.42Å; P219-H221 PolarHBondContact O-N 3.26Å; P219-H221 VanDerWaalsContact O-N 3.11Å; H221-Q225 PolarHBondContact O-NE2 3.49Å
222M92.1Very high95.7Very high4 Ų442.4 Ų42.42%0.0223%0.228CC..G310 helixtrans-98.6-8.2176.3-62177.270.100112.5T151 F163 F165 I218 P219 P220 N224 Q225 L227T151-M222 HydrophobicContact CG2-CE 3.57Å; F163-M222 VanDerWaalsContact C-CE 3.49Å; F163-M222 VanDerWaalsContact O-CE 3.24Å; F163-M222 WeakPolarHBondContact O-CE 3.38Å; F165-M222 HydrophobicContact CD2-CE 4.47Å; F165-M222 HydrophobicContact CE2-CE 3.58Å; F165-M222 HydrophobicContact CE2-SD 4.12Å; F165-M222 HydrophobicContact CZ-CE 3.79Å; F165-M222 HydrophobicContact CZ-SD 3.67Å; I218-M222 HydrophobicContact CG2-CB 3.78Å; P219-M222 HydrophobicContact CG-SD 4.36Å; P219-M222 PolarHBondContact O-N 3.17Å; P220-M222 PolarHBondContact O-N 3.41Å; M222-N224 PolarHBondContact O-N 3.33Å; M222-Q225 WeakPolarHBondContact O-CB 3.29Å; M222-Q225 PolarHBondContact O-N 2.69Å; M222-L227 HydrophobicContact CE-CD2 3.98Å
223K86.6Confident95.6Very high127 Ų12741.2 Ų41.255%0.55222%0.222SC*.THydrogen-bonded Turntrans-60.5135.4175-68.1-174178.9-173.80108.9P219 P220 Q225P219-K223 PolarHBondContact O-N 2.72Å; P220-K223 WeakPolarHBondContact O-CB 3.02Å; P220-K223 PolarHBondContact O-N 3.48Å; K223-Q225 VanDerWaalsContact C-N 3.3Å
224N88.1Confident95.4Very high146 Ų14642 Ų4278%0.78122%0.215SC*.THydrogen-bonded Turntrans68.717.4-172.8-45.3-48.3000115.6M129 M222M129-N224 VanDerWaalsContact CE-O 3.23Å; M129-N224 WeakPolarHBondContact CE-O 3.32Å; M222-N224 PolarHBondContact O-N 3.33Å
225Q94.1Very high95Very high51 Ų5141.3 Ų41.324%0.23821%0.212CC..SBendtrans-103.6145.5166.4-57.9-168.937.700110.3T151 H221 M222 K223T151-Q225 HydrophobicContact CG2-CB 3.8Å; H221-Q225 PolarHBondContact O-NE2 3.49Å; M222-Q225 WeakPolarHBondContact O-CB 3.29Å; M222-Q225 PolarHBondContact O-N 2.69Å; K223-Q225 VanDerWaalsContact C-N 3.3Å
226A96.2Very high94.8Very high13 Ų1341.2 Ų41.211%0.10721%0.212CC..  trans-72.8135178.600000110.5L128 M129 T151 F228 V267L128-A226 CarbonylContact O-C 3.48Å; L128-A226 VanDerWaalsContact O-CA 3.26Å; L128-A226 WeakPolarHBondContact O-CA 3.42Å; M129-A226 HydrophobicContact CG-CB 3.93Å; M129-A226 VanDerWaalsContact SD-CA 3.51Å; M129-A226 HydrophobicContact SD-CB 3.71Å; M129-A226 PolarHBondContact SD-N 2.84Å; T151-A226 WeakPolarHBondContact CA-O 3.47Å; A226-F228 HydrophobicContact CB-CD2 4.44Å; A226-F228 HydrophobicContact CB-CE2 3.68Å; A226-F228 HydrophobicContact CB-CZ 4.25Å; A226-V267 HydrophobicContact CB-CB 3.74Å; A226-V267 HydrophobicContact CB-CG1 4.06Å; A226-V267 HydrophobicContact CB-CG2 3.92Å
227L98Very high94.6Very high4 Ų441.7 Ų41.72%0.02121%0.214CC..BIsolated β-bridgetrans-105.2121.4175.5-75.1174.1000110.4G127 L128 W149 T151 F165 L196 I218 M222G127-L227 CarbonylContact C-O 3.59Å; G127-L227 WeakPolarHBondContact CA-O 3.44Å; L128-L227 PolarHBondContact N-O 2.93Å; L128-L227 PolarHBondContact O-N 2.96Å; W149-L227 HydrophobicContact CB-CB 4.36Å; W149-L227 HydrophobicContact CB-CD2 4.35Å; W149-L227 HydrophobicContact CE3-CB 4.37Å; T151-L227 HydrophobicContact CG2-CD2 3.87Å; F165-L227 HydrophobicContact CD2-CD2 4.46Å; F165-L227 HydrophobicContact CE2-CD1 4.43Å; F165-L227 HydrophobicContact CE2-CD2 4.21Å; L196-L227 HydrophobicContact CD1-CD1 3.62Å; L196-L227 HydrophobicContact CD2-CB 3.81Å; L196-L227 HydrophobicContact CD2-CD1 4.04Å; I218-L227 HydrophobicContact CD1-CD1 3.56Å; I218-L227 HydrophobicContact CG1-CD1 4.36Å; M222-L227 HydrophobicContact CE-CD2 3.98Å
228F98.4Very high94.6Very high2 Ų235.1 Ų35.11%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-101.6136.8-179.5-64.9-104.2000109.1A124 K126 G127 W149 S150 M152 A226 A230 V267A124-F228 WeakPolarHBondContact O-CD1 3.33Å; K126-F228 VanDerWaalsContact C-CE1 3.4Å; K126-F228 VanDerWaalsContact O-CD1 3.25Å; K126-F228 WeakPolarHBondContact O-CD1 3.41Å; G127-F228 VanDerWaalsContact N-CD1 3.28Å; W149-F228 CarbonylContact C-O 3.59Å; W149-F228 WeakPolarHBondContact CA-O 3.28Å; S150-F228 PolarHBondContact N-O 3.44Å; S150-F228 PolarHBondContact O-N 3.3Å; M152-F228 HydrophobicContact CG-CD2 4.1Å; M152-F228 HydrophobicContact CG-CE2 3.51Å; M152-F228 HydrophobicContact CG-CZ 3.92Å; M152-F228 HydrophobicContact SD-CE2 4.21Å; M152-F228 HydrophobicContact SD-CZ 4.05Å; A226-F228 HydrophobicContact CB-CD2 4.44Å; A226-F228 HydrophobicContact CB-CE2 3.68Å; A226-F228 HydrophobicContact CB-CZ 4.25Å; F228-A230 PolarHBondContact O-N 2.82Å; F228-V267 HydrophobicContact CZ-CG1 4.22Å
229P98.6Very high94.6Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-49.7135.3161.9-2633.8000110.3W91 R123 A124 K126 Y135 G148 W149 F242 L258W91-P229 HydrophobicContact CZ3-CG 4.33Å; R123-P229 CarbonylContact C-O 3.48Å; R123-P229 WeakPolarHBondContact CA-O 3.33Å; A124-P229 HydrophobicContact CB-CB 3.9Å; A124-P229 HydrophobicContact CB-CG 4.06Å; A124-P229 PolarHBondContact N-O 3.25Å; K126-P229 WeakPolarHBondContact O-CD 3.33Å; Y135-P229 HydrophobicContact CD1-CB 4.4Å; Y135-P229 HydrophobicContact CD1-CG 4.18Å; Y135-P229 HydrophobicContact CE1-CB 3.81Å; Y135-P229 HydrophobicContact CE1-CG 3.93Å; Y135-P229 HydrophobicContact CE2-CB 4.29Å; G148-P229 CarbonylContact O-C 3.28Å; G148-P229 WeakPolarHBondContact O-CA 3.17Å; W149-P229 HydrophobicContact CE3-CG 4.22Å; W149-P229 HydrophobicContact CH2-CG 4.44Å; W149-P229 HydrophobicContact CZ3-CG 3.81Å; P229-F242 HydrophobicContact CB-CE1 3.7Å; P229-F242 HydrophobicContact CB-CZ 4.22Å; P229-F242 HydrophobicContact CG-CD1 4.41Å; P229-F242 HydrophobicContact CG-CE1 3.74Å; P229-L258 HydrophobicContact CG-CD1 3.37Å
230A98.5Very high94.8Very high3 Ų335.6 Ų35.63%0.02518%0.182CC..EExtended strand (participates in β ladder)trans-146.9152.3-17600000110.6C122 R123 V147 G148 S150 L158 F228C122-A230 VanDerWaalsContact O-CA 3.3Å; C122-A230 WeakPolarHBondContact O-CA 3.42Å; R123-A230 HydrophobicContact CG-CB 3.96Å; V147-A230 CarbonylContact C-O 3.6Å; G148-A230 PolarHBondContact N-O 3.18Å; G148-A230 PolarHBondContact O-N 3.49Å; S150-A230 WeakPolarHBondContact OG-CB 3.48Å; L158-A230 HydrophobicContact CD1-CB 4.11Å; L158-A230 HydrophobicContact CD2-CB 4.25Å; F228-A230 PolarHBondContact O-N 2.82Å
231C98.5Very high95Very high1 Ų131.2 Ų31.21%0.00715%0.153CC..EExtended strand (participates in β ladder)trans-144.6167.2167.267.30000111.7F102 G121 C122 R146 V147 L238 F240F102-C231 VanDerWaalsContact CZ-SG 3.54Å; G121-C231 CarbonylContact C-O 3.56Å; G121-C231 WeakPolarHBondContact CA-O 3.3Å; C122-C231 PolarHBondContact N-O 2.72Å; C122-C231 PolarHBondContact O-N 3.47Å; R146-C231 CarbonylContact O-C 3.6Å; R146-C231 WeakPolarHBondContact O-CA 3.43Å; R146-C231 VanDerWaalsContact O-CB 3.24Å; R146-C231 WeakPolarHBondContact O-CB 3.37Å; V147-C231 HydrophobicContact CG1-CB 4.1Å; C231-L238 HydrophobicContact CB-CD1 4.13Å; C231-F240 HydrophobicContact CB-CE2 4.49Å; C231-F240 HydrophobicContact CB-CZ 3.79Å; C231-F240 VanDerWaalsContact SG-CZ 3.6Å
232V98.3Very high95.3Very high0 Ų027.1 Ų27.10%013%0.134CC..EExtended strand (participates in β ladder)trans-139.6135.2168.866.60000108.9W119 H120 C145 R146 L156 L158W119-V232 HydrophobicContact CB-CG2 3.67Å; W119-V232 HydrophobicContact CD2-CG2 4.33Å; W119-V232 HydrophobicContact CE3-CB 4.32Å; W119-V232 HydrophobicContact CE3-CG1 3.95Å; W119-V232 HydrophobicContact CE3-CG2 3.81Å; W119-V232 HydrophobicContact CG-CG2 4.34Å; W119-V232 HydrophobicContact CZ3-CG1 4.17Å; H120-V232 CarbonylContact O-C 3.56Å; H120-V232 WeakPolarHBondContact O-CA 3.24Å; C145-V232 CarbonylContact C-O 3.59Å; C145-V232 VanDerWaalsContact CA-O 3.27Å; C145-V232 WeakPolarHBondContact CA-O 3.3Å; R146-V232 HydrophobicContact CB-CG1 3.8Å; R146-V232 PolarHBondContact N-O 3.02Å; R146-V232 PolarHBondContact O-N 2.8Å; L156-V232 WeakPolarHBondContact O-CG2 3.17Å; L158-V232 HydrophobicContact CB-CB 4.33Å; L158-V232 HydrophobicContact CB-CG1 3.94Å
233L96.9Very high95.5Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-123.2149.4-170.5-56.2-179.7000110.6F102 C111 W119 H120 C145 A236 L238F102-L233 HydrophobicContact CD2-CD1 4.33Å; F102-L233 HydrophobicContact CE2-CB 4.4Å; F102-L233 HydrophobicContact CE2-CD1 3.59Å; F102-L233 HydrophobicContact CE2-CG 3.74Å; F102-L233 HydrophobicContact CZ-CD1 3.87Å; F102-L233 HydrophobicContact CZ-CG 4.37Å; C111-L233 HydrophobicContact CB-CD1 4.15Å; W119-L233 WeakPolarHBondContact CA-O 3.37Å; H120-L233 PolarHBondContact N-O 3.49Å; H120-L233 PolarHBondContact O-N 2.98Å; C145-L233 HydrophobicContact CB-CD2 3.63Å; L233-A236 HydrophobicContact CB-CB 4.31Å; L233-A236 HydrophobicContact CD2-CB 4.15Å; L233-L238 HydrophobicContact CD2-CD1 3.44Å; L233-L238 VanDerWaalsContact CD2-CD1 3.44Å; L233-L238 HydrophobicContact CD2-CG 3.6Å
234K92.9Very high95.7Very high50 Ų5028.1 Ų28.122%0.21714%0.144CC..EExtended strand (participates in β ladder)trans-144.8104.6171.5177.7171.7178168.80108.4E115 V116 K117 E118 W119 L144 A236E115-K234 CarbonylContact O-C 3.6Å; E115-K234 WeakPolarHBondContact O-CG 3.18Å; V116-K234 VanDerWaalsContact C-CE 3.5Å; V116-K234 WeakPolarHBondContact O-CE 2.99Å; K117-K234 VanDerWaalsContact O-CE 3.26Å; K117-K234 WeakPolarHBondContact O-CE 3.31Å; K117-K234 PolarHBondContact O-NZ 3.4Å; E118-K234 WeakPolarHBondContact O-CG 3.19Å; W119-K234 HydrophobicContact CD2-CB 3.83Å; W119-K234 HydrophobicContact CD2-CD 4.2Å; W119-K234 HydrophobicContact CE3-CB 3.65Å; W119-K234 HydrophobicContact CG-CB 4.48Å; W119-K234 HydrophobicContact CG-CD 4.47Å; W119-K234 HydrophobicContact CH2-CB 4.35Å; W119-K234 HydrophobicContact CZ2-CB 4.45Å; W119-K234 HydrophobicContact CZ2-CD 4.37Å; W119-K234 HydrophobicContact CZ3-CB 3.93Å; L144-K234 HydrophobicContact CB-CB 4.31Å; L144-K234 PolarHBondContact N-O 2.81Å; L144-K234 PolarHBondContact O-N 3.4Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 3.32Å
235N89.3Confident95.9Very high65 Ų6526 Ų2635%0.34813%0.129SC..SBendtrans50.746.1-171.1-167.141000113.7S113 E115 V116 G143S113-N235 CarbonylContact O-C 3.56Å; S113-N235 WeakPolarHBondContact O-CA 3.15Å; S113-N235 PolarHBondContact O-N 2.69Å; E115-N235 PolarHBondContact O-N 2.92Å; V116-N235 HydrophobicContact CG2-CB 4.32Å; G143-N235 WeakPolarHBondContact CA-O 3.26Å
236A92.8Very high95.9Very high2 Ų232 Ų322%0.01716%0.157CC..EExtended strand (participates in β ladder)trans-138161-171.100000112.1Q112 S113 C145 L233 K234Q112-A236 CarbonylContact C-O 3.47Å; Q112-A236 WeakPolarHBondContact CA-O 3.36Å; S113-A236 PolarHBondContact N-O 3.27Å; S113-A236 PolarHBondContact O-N 3.04Å; C145-A236 HydrophobicContact CB-CB 4.46Å; L233-A236 HydrophobicContact CB-CB 4.31Å; L233-A236 HydrophobicContact CD2-CB 4.15Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 3.32Å
237E93.5Very high95.9Very high30 Ų3032.4 Ų32.414%0.1416%0.157CC..EExtended strand (participates in β ladder)trans-133.4134.7175.8-175.9-179.9132.700110.4C111 Q112 R114 H140 D141 F425C111-E237 CarbonylContact O-C 3.52Å; C111-E237 VanDerWaalsContact O-CA 3.23Å; C111-E237 WeakPolarHBondContact O-CA 3.33Å; C111-E237 WeakPolarHBondContact O-CG 3.33Å; Q112-E237 HydrophobicContact CB-CB 4.35Å; Q112-E237 HydrophobicContact CB-CG 4.24Å; Q112-E237 HydrophobicContact CG-CB 4.24Å; Q112-E237 HydrophobicContact CG-CG 4.5Å; Q112-E237 PolarHBondContact NE2-OE2 3.26Å; R114-E237 IonicContact NH2-OE2 2.75Å; H140-E237 HydrophobicContact CB-CB 4.09Å; H140-E237 HydrophobicContact CB-CG 3.95Å; H140-E237 IonicContact CG-OE1 3.81Å; H140-E237 PolarHBondContact N-O 3.44Å; H140-E237 IonicContact ND1-OE1 3.94Å; H140-E237 PolarHBondContact ND1-OE1 3.49Å; D141-E237 HydrophobicContact CB-CB 4.15Å; D141-E237 WeakPolarHBondContact OD2-CB 3.05Å; D141-E237 PolarHBondContact OD2-N 3.27Å; E237-F425 HydrophobicContact CG-CE1 4.03Å; E237-F425 HydrophobicContact CG-CZ 4.46Å; E237-F425 WeakPolarHBondContact OE2-CE1 3.5Å
238L97.5Very high95.9Very high1 Ų138.4 Ų38.41%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-131.5140.3178-62.6-176.9000110.5C110 C111 V137 S138 C139 C145 V147 C231 L233 F240C110-L238 CarbonylContact C-O 3.6Å; C111-L238 PolarHBondContact N-O 3.03Å; C111-L238 PolarHBondContact O-N 3.31Å; V137-L238 HydrophobicContact CG1-CB 3.68Å; V137-L238 HydrophobicContact CG1-CD1 3.78Å; V137-L238 HydrophobicContact CG1-CD2 4.08Å; V137-L238 HydrophobicContact CG1-CG 4.06Å; S138-L238 CarbonylContact O-C 3.48Å; S138-L238 VanDerWaalsContact O-CA 3.3Å; S138-L238 WeakPolarHBondContact O-CA 3.48Å; C139-L238 HydrophobicContact CB-CD2 4.1Å; C139-L238 VanDerWaalsContact SG-CD2 3.56Å; C145-L238 HydrophobicContact CB-CD1 4.06Å; C145-L238 HydrophobicContact CB-CD2 4.31Å; C145-L238 HydrophobicContact CB-CG 4.44Å; V147-L238 HydrophobicContact CG1-CD1 3.52Å; C231-L238 HydrophobicContact CB-CD1 4.13Å; L233-L238 HydrophobicContact CD2-CD1 3.44Å; L233-L238 VanDerWaalsContact CD2-CD1 3.44Å; L233-L238 HydrophobicContact CD2-CG 3.6Å; L238-F240 HydrophobicContact CB-CE2 4.32Å
239K97Very high95.8Very high53 Ų5340.9 Ų40.923%0.2319%0.194CC..EExtended strand (participates in β ladder)trans-107.6124.2166.5-175.4177.9-176.3-160.70110.3V137 S138 E245V137-K239 CarbonylContact C-O 3.47Å; V137-K239 WeakPolarHBondContact CA-O 3.46Å; S138-K239 PolarHBondContact N-O 3.01Å; S138-K239 PolarHBondContact O-N 3.33Å; K239-E245 IonicContact NZ-OE1 3.43Å; K239-E245 PolarHBondContact NZ-OE1 3.1Å; K239-E245 IonicContact NZ-OE2 2.67Å; K239-E245 PolarHBondContact NZ-OE2 3.28Å; K239-E245 VanDerWaalsContact NZ-OE2 3.13Å
240F98.2Very high95.7Very high0 Ų044.7 Ų44.70%022%0.218CC..EExtended strand (participates in β ladder)trans-87140.8175.2-73.1-103.6000111M93 L109 C111 Y135 V137 C231 L238 F242M93-F240 HydrophobicContact CE-CE1 4.27Å; M93-F240 HydrophobicContact CE-CE2 4.04Å; M93-F240 HydrophobicContact CE-CZ 3.77Å; M93-F240 HydrophobicContact CG-CD2 3.85Å; M93-F240 HydrophobicContact CG-CE2 4.02Å; M93-F240 HydrophobicContact CG-CG 4.17Å; M93-F240 HydrophobicContact CG-CZ 4.47Å; M93-F240 HydrophobicContact SD-CD1 3.99Å; M93-F240 HydrophobicContact SD-CD2 4.11Å; M93-F240 HydrophobicContact SD-CE1 3.83Å; M93-F240 HydrophobicContact SD-CE2 3.97Å; M93-F240 HydrophobicContact SD-CG 4.12Å; M93-F240 HydrophobicContact SD-CZ 3.81Å; L109-F240 WeakPolarHBondContact CB-O 3.32Å; L109-F240 HydrophobicContact CD2-CB 4.3Å; L109-F240 WeakPolarHBondContact O-CD2 3.47Å; L109-F240 PolarHBondContact O-N 2.92Å; C111-F240 HydrophobicContact CB-CE2 4.21Å; Y135-F240 HydrophobicContact CD2-CD1 4.05Å; Y135-F240 HydrophobicContact CD2-CE1 4.48Å; Y135-F240 AromaticContact CE2-CD1 3.79Å; Y135-F240 HydrophobicContact CE2-CD1 3.79Å; Y135-F240 AromaticContact CE2-CE1 3.77Å; Y135-F240 HydrophobicContact CE2-CE1 3.77Å; V137-F240 HydrophobicContact CG1-CD2 4.47Å; V137-F240 HydrophobicContact CG1-CE2 4.37Å; V137-F240 HydrophobicContact CG1-CZ 4.41Å; V137-F240 HydrophobicContact CG2-CD1 3.79Å; V137-F240 HydrophobicContact CG2-CE1 3.74Å; V137-F240 HydrophobicContact CG2-CG 4.44Å; V137-F240 HydrophobicContact CG2-CZ 4.35Å; C231-F240 HydrophobicContact CB-CE2 4.49Å; C231-F240 HydrophobicContact CB-CZ 3.79Å; C231-F240 VanDerWaalsContact SG-CZ 3.6Å; L238-F240 HydrophobicContact CB-CE2 4.32Å; F240-F242 HydrophobicContact CB-CE1 4.44Å; F240-F242 HydrophobicContact CB-CE2 3.94Å; F240-F242 HydrophobicContact CB-CZ 3.88Å; F240-F242 AromaticContact CD1-CE1 3.86Å; F240-F242 HydrophobicContact CD1-CE1 3.86Å; F240-F242 AromaticContact CD1-CZ 3.62Å; F240-F242 HydrophobicContact CD1-CZ 3.62Å; F240-F242 HydrophobicContact CE1-CZ 4.46Å; F240-F242 HydrophobicContact CG-CE2 4.48Å; F240-F242 HydrophobicContact CG-CZ 4Å
241N97.9Very high95.4Very high15 Ų1546 Ų468%0.0823%0.226CC..EExtended strand (participates in β ladder)trans-123.9114.4163.1-178.24.2000108Y135 E136 G243 E245 E246 F247Y135-N241 WeakPolarHBondContact CB-O 3.5Å; E136-N241 HydrophobicContact CB-CB 4.35Å; E136-N241 PolarHBondContact N-O 2.69Å; E136-N241 PolarHBondContact O-N 3.17Å; N241-G243 VanDerWaalsContact C-N 3.33Å; N241-G243 WeakPolarHBondContact OD1-CA 3.23Å; N241-G243 PolarHBondContact OD1-N 2.94Å; N241-E245 PolarHBondContact ND2-O 3.01Å; N241-E245 PolarHBondContact OD1-O 3.19Å; N241-E246 PolarHBondContact ND2-O 2.88Å; N241-E246 VanDerWaalsContact ND2-O 3.15Å; N241-F247 HydrophobicContact CB-CD1 4.43Å; N241-F247 HydrophobicContact CB-CE1 4.36Å; N241-F247 WeakPolarHBondContact O-CE1 3.43Å
242F98.1Very high95Very high3 Ų353.5 Ų53.51%0.01326%0.259CS..  trans-89.90.3175.9-61.6-60.1000113.1W91 M93 L109 A124 Y135 P229 F240 L258 S259W91-F242 HydrophobicContact CB-CB 3.81Å; W91-F242 HydrophobicContact CB-CD2 3.89Å; W91-F242 HydrophobicContact CB-CG 4.03Å; W91-F242 HydrophobicContact CE3-CD1 4.42Å; W91-F242 HydrophobicContact CE3-CG 4.37Å; W91-F242 HydrophobicContact CG-CB 4.35Å; W91-F242 WeakPolarHBondContact O-CD2 3.25Å; M93-F242 HydrophobicContact SD-CE2 4.45Å; M93-F242 HydrophobicContact SD-CZ 3.82Å; L109-F242 HydrophobicContact CD2-CD2 3.58Å; L109-F242 HydrophobicContact CD2-CE2 3.67Å; A124-F242 HydrophobicContact CB-CZ 4.22Å; Y135-F242 HydrophobicContact CD2-CD1 4.26Å; Y135-F242 HydrophobicContact CD2-CE1 4.01Å; Y135-F242 HydrophobicContact CE2-CE1 4.48Å; Y135-F242 HydrophobicContact CG-CD1 4.06Å; Y135-F242 HydrophobicContact CG-CE1 4.13Å; P229-F242 HydrophobicContact CB-CE1 3.7Å; P229-F242 HydrophobicContact CB-CZ 4.22Å; P229-F242 HydrophobicContact CG-CD1 4.41Å; P229-F242 HydrophobicContact CG-CE1 3.74Å; F240-F242 HydrophobicContact CB-CE1 4.44Å; F240-F242 HydrophobicContact CB-CE2 3.94Å; F240-F242 HydrophobicContact CB-CZ 3.88Å; F240-F242 AromaticContact CD1-CE1 3.86Å; F240-F242 HydrophobicContact CD1-CE1 3.86Å; F240-F242 AromaticContact CD1-CZ 3.62Å; F240-F242 HydrophobicContact CD1-CZ 3.62Å; F240-F242 HydrophobicContact CE1-CZ 4.46Å; F240-F242 HydrophobicContact CG-CE2 4.48Å; F240-F242 HydrophobicContact CG-CZ 4Å; F242-L258 HydrophobicContact CB-CB 4.28Å; F242-L258 HydrophobicContact CD1-CB 4.46Å; F242-L258 HydrophobicContact CD1-CD1 3.77Å; F242-L258 HydrophobicContact CE1-CD1 4.25Å; F242-L258 PolarHBondContact O-N 3.28Å; F242-S259 WeakPolarHBondContact O-CB 3.08Å; F242-S259 PolarHBondContact O-N 2.78Å; F242-S259 PolarHBondContact O-OG 2.81Å
243G96Very high94.6Very high13 Ų1358.9 Ų58.913%0.13429%0.287CS..SBendtrans99.526.1178.400000114.4N241 F247 S259N241-G243 VanDerWaalsContact C-N 3.33Å; N241-G243 WeakPolarHBondContact OD1-CA 3.23Å; N241-G243 PolarHBondContact OD1-N 2.94Å; G243-F247 VanDerWaalsContact CA-CZ 3.47Å; G243-S259 PolarHBondContact O-OG 2.87Å
244E91.4Very high94.4Very high138 Ų13861.8 Ų61.865%0.64532%0.318SS*.SBendtrans-81.4-32.7161.7-67.7-167.1-177.700110.7
245E91.6Very high94.6Very high101 Ų10160.4 Ų60.447%0.47231%0.312SS..SBendtrans-94.8157.1166.3-63.5176.8-179.100109.9K239 N241 F247K239-E245 IonicContact NZ-OE1 3.43Å; K239-E245 PolarHBondContact NZ-OE1 3.1Å; K239-E245 IonicContact NZ-OE2 2.67Å; K239-E245 PolarHBondContact NZ-OE2 3.28Å; K239-E245 VanDerWaalsContact NZ-OE2 3.13Å; N241-E245 PolarHBondContact ND2-O 3.01Å; N241-E245 PolarHBondContact OD1-O 3.19Å; E245-F247 PolarHBondContact O-N 3.36Å
246E93.7Very high94.9Very high178 Ų17860.6 Ų60.683%0.83232%0.315SS*.PPolyproline II helixtrans-61.3137.4174.2-169174.7-177.600110.9N241N241-E246 PolarHBondContact ND2-O 2.88Å; N241-E246 VanDerWaalsContact ND2-O 3.15Å
247F97.5Very high95.1Very high22 Ų2261.1 Ų61.110%0.09632%0.32CS..PPolyproline II helixtrans-73.1138.2176.1-69.3-50.4000110.8Y134 E136 N241 G243 E245 F249 P250 A257Y134-F247 HydrophobicContact CD1-CD1 4.44Å; Y134-F247 AromaticContact CD1-CD2 3.93Å; Y134-F247 HydrophobicContact CD1-CD2 3.93Å; Y134-F247 HydrophobicContact CD1-CE1 4.18Å; Y134-F247 AromaticContact CD1-CE2 3.61Å; Y134-F247 HydrophobicContact CD1-CE2 3.61Å; Y134-F247 HydrophobicContact CD1-CG 4.34Å; Y134-F247 AromaticContact CD1-CZ 3.76Å; Y134-F247 HydrophobicContact CD1-CZ 3.76Å; Y134-F247 HydrophobicContact CE1-CB 4.47Å; Y134-F247 AromaticContact CE1-CD1 3.97Å; Y134-F247 HydrophobicContact CE1-CD1 3.97Å; Y134-F247 AromaticContact CE1-CD2 3.86Å; Y134-F247 HydrophobicContact CE1-CD2 3.86Å; Y134-F247 HydrophobicContact CE1-CE1 4.12Å; Y134-F247 AromaticContact CE1-CE2 3.99Å; Y134-F247 HydrophobicContact CE1-CE2 3.99Å; Y134-F247 AromaticContact CE1-CG 3.85Å; Y134-F247 HydrophobicContact CE1-CG 3.85Å; Y134-F247 HydrophobicContact CE1-CZ 4.13Å; E136-F247 HydrophobicContact CB-CD1 4.1Å; E136-F247 HydrophobicContact CB-CE1 4.45Å; E136-F247 HydrophobicContact CG-CD1 3.76Å; E136-F247 HydrophobicContact CG-CE1 4.35Å; E136-F247 HydrophobicContact CG-CG 4.42Å; E136-F247 WeakPolarHBondContact OE2-CA 3.35Å; N241-F247 HydrophobicContact CB-CD1 4.43Å; N241-F247 HydrophobicContact CB-CE1 4.36Å; N241-F247 WeakPolarHBondContact O-CE1 3.43Å; G243-F247 VanDerWaalsContact CA-CZ 3.47Å; E245-F247 PolarHBondContact O-N 3.36Å; F247-F249 PolarHBondContact O-N 3.06Å; F247-P250 HydrophobicContact CB-CG 4.42Å; F247-A257 HydrophobicContact CE2-CB 3.6Å; F247-A257 HydrophobicContact CZ-CB 3.77Å
248K96.6Very high95.2Very high129 Ų12959.7 Ų59.756%0.56131%0.313SS*.SBendtrans-66-33.3173.5-171.4177.1174.5-174.60111E136E136-K248 PolarHBondContact OE2-N 3.29Å
249F97.3Very high95.1Very high55 Ų5561 Ų6124%0.24132%0.322CS..SBendtrans-130.782.1177.3-56-75.6000110.4Y134 E136 T191 N208 F247Y134-F249 PolarHBondContact OH-O 2.7Å; E136-F249 VanDerWaalsContact OE1-C 3.25Å; E136-F249 VanDerWaalsContact OE1-CA 3.25Å; E136-F249 WeakPolarHBondContact OE1-CA 3.46Å; E136-F249 WeakPolarHBondContact OE1-CB 2.95Å; E136-F249 PolarHBondContact OE1-N 3.16Å; T191-F249 HydrophobicContact CG2-CD2 4.07Å; T191-F249 HydrophobicContact CG2-CE2 4.35Å; N208-F249 VanDerWaalsContact C-CD1 3.49Å; N208-F249 VanDerWaalsContact C-CE1 3.46Å; N208-F249 VanDerWaalsContact CA-CE2 3.45Å; N208-F249 HydrophobicContact CB-CE1 4.36Å; N208-F249 HydrophobicContact CB-CE2 4.06Å; N208-F249 HydrophobicContact CB-CZ 3.77Å; N208-F249 VanDerWaalsContact O-CE1 3.3Å; N208-F249 WeakPolarHBondContact O-CE1 3.36Å; F247-F249 PolarHBondContact O-N 3.06Å
250P95.2Very high95Very high79 Ų7965.8 Ų65.851%0.51334%0.343SS..  trans-54140-176.7-2734.9000113.1F247F247-P250 HydrophobicContact CB-CG 4.42Å
251P93.3Very high94.8Very high30 Ų3066.2 Ų66.220%0.19535%0.346CS..  trans-69.8151.5-17729.7-35.6000112.5Y134 Y195 F255Y134-P251 HydrophobicContact CD1-CB 3.76Å; Y134-P251 HydrophobicContact CD1-CG 3.57Å; Y134-P251 HydrophobicContact CD2-CB 4.04Å; Y134-P251 HydrophobicContact CE1-CB 4.22Å; Y134-P251 HydrophobicContact CE1-CG 4.17Å; Y134-P251 HydrophobicContact CE2-CB 4.47Å; Y134-P251 HydrophobicContact CG-CB 3.62Å; Y134-P251 HydrophobicContact CG-CG 3.86Å; Y195-P251 HydrophobicContact CE1-CB 3.89Å; P251-F255 HydrophobicContact CB-CB 3.83Å; P251-F255 HydrophobicContact CG-CB 4.44Å; P251-F255 WeakPolarHBondContact CG-O 3.34Å
252K89.4Confident94.7Very high159 Ų15968.7 Ų68.769%0.69136%0.363SS*.  trans-107.2-176.5175.2-61.5179.9-176.9175.20110.7G254 F255K252-G254 VanDerWaalsContact C-N 3.29Å; K252-G254 PolarHBondContact O-N 2.94Å; K252-F255 WeakPolarHBondContact O-CD2 3.41Å; K252-F255 PolarHBondContact O-N 2.87Å
253D90.4Very high94.3Very high113 Ų11375.3 Ų75.360%0.60440%0.399SS*.THydrogen-bonded Turntrans58.230.9171.3-50.5-38.3000116.1K132 K204 F255K132-D253 PolarHBondContact NZ-O 3.32Å; K204-D253 IonicContact NZ-OD2 2.69Å; D253-F255 VanDerWaalsContact C-N 3.3Å; D253-F255 HydrophobicContact CB-CD2 4.3Å; D253-F255 HydrophobicContact CB-CE2 4.49Å; D253-F255 PolarHBondContact O-N 2.88Å
254G93Very high94.2Very high62 Ų6278.2 Ų78.264%0.63943%0.429SS*.THydrogen-bonded Turntrans74.414.6176.600000114.8K252K252-G254 VanDerWaalsContact C-N 3.29Å; K252-G254 PolarHBondContact O-N 2.94Å
255F97Very high94.3Very high20 Ų2075.9 Ų75.99%0.08842%0.415CS..  trans-72.8138.4167.5-77-94.4000110.1K132 H133 Y195 D197 P251 K252 D253K132-F255 HydrophobicContact CB-CD1 4Å; K132-F255 HydrophobicContact CB-CE1 4.18Å; K132-F255 HydrophobicContact CB-CG 4.37Å; H133-F255 WeakPolarHBondContact O-CD1 3.29Å; Y195-F255 HydrophobicContact CD1-CB 4.34Å; Y195-F255 AromaticContact CD1-CD1 3.89Å; Y195-F255 HydrophobicContact CD1-CD1 3.89Å; Y195-F255 HydrophobicContact CD1-CD2 4.02Å; Y195-F255 HydrophobicContact CD1-CE1 4.13Å; Y195-F255 HydrophobicContact CD1-CE2 4.24Å; Y195-F255 AromaticContact CD1-CG 3.83Å; Y195-F255 HydrophobicContact CD1-CG 3.83Å; Y195-F255 HydrophobicContact CD1-CZ 4.3Å; Y195-F255 HydrophobicContact CG-CE1 4.47Å; D197-F255 HydrophobicContact CB-CE1 4.15Å; D197-F255 HydrophobicContact CB-CZ 4.01Å; P251-F255 HydrophobicContact CB-CB 3.83Å; P251-F255 HydrophobicContact CG-CB 4.44Å; P251-F255 WeakPolarHBondContact CG-O 3.34Å; K252-F255 WeakPolarHBondContact O-CD2 3.41Å; K252-F255 PolarHBondContact O-N 2.87Å; D253-F255 VanDerWaalsContact C-N 3.3Å; D253-F255 HydrophobicContact CB-CD2 4.3Å; D253-F255 HydrophobicContact CB-CE2 4.49Å; D253-F255 PolarHBondContact O-N 2.88Å
256V95.8Very high94.5Very high69 Ų6972.5 Ų72.542%0.41840%0.399SS..EExtended strand (participates in β ladder)trans-116.2158.7178.4-62.30000111.5K132 H133 Y134K132-V256 PolarHBondContact O-N 2.67Å; K132-V256 VanDerWaalsContact O-N 3.13Å; H133-V256 CarbonylContact C-O 3.59Å; H133-V256 WeakPolarHBondContact CA-O 3.36Å; Y134-V256 PolarHBondContact N-O 3.38Å
257A96.9Very high94.6Very high14 Ų1466.4 Ų66.412%0.11637%0.374CS..EExtended strand (participates in β ladder)trans-55.1141.8174.100000112F247 S259 K260F247-A257 HydrophobicContact CE2-CB 3.6Å; F247-A257 HydrophobicContact CZ-CB 3.77Å; A257-S259 PolarHBondContact O-N 3.46Å; A257-K260 HydrophobicContact CB-CB 4.38Å; A257-K260 HydrophobicContact CB-CG 3.96Å; A257-K260 PolarHBondContact O-N 3.31Å
258L95.6Very high94.4Very high0 Ų070.3 Ų70.30%039%0.391CS..G310 helixtrans-55.5-39.9172.4-88.1-176.4000113W91 L128 H133 Y134 Y135 W149 P229 F242 K260 A261W91-L258 HydrophobicContact CD2-CB 4.41Å; W91-L258 VanDerWaalsContact CE2-O 3.31Å; W91-L258 HydrophobicContact CE3-CB 4.33Å; W91-L258 HydrophobicContact CE3-CD1 4.37Å; W91-L258 HydrophobicContact CH2-CB 4.32Å; W91-L258 HydrophobicContact CH2-CD1 4.38Å; W91-L258 HydrophobicContact CH2-CD2 3.75Å; W91-L258 HydrophobicContact CH2-CG 4.42Å; W91-L258 HydrophobicContact CZ2-CB 4.36Å; W91-L258 HydrophobicContact CZ2-CD2 4.26Å; W91-L258 WeakPolarHBondContact CZ2-O 3.4Å; W91-L258 HydrophobicContact CZ3-CB 4.29Å; W91-L258 HydrophobicContact CZ3-CD1 3.92Å; W91-L258 HydrophobicContact CZ3-CD2 4.13Å; W91-L258 HydrophobicContact CZ3-CG 4.39Å; W91-L258 PolarHBondContact NE1-O 3.09Å; L128-L258 HydrophobicContact CD1-CD2 3.24Å; L128-L258 HydrophobicContact CD2-CD2 4.17Å; L128-L258 HydrophobicContact CG-CD2 3.66Å; H133-L258 HydrophobicContact CB-CD2 3.76Å; H133-L258 HydrophobicContact CB-CG 4.32Å; Y134-L258 PolarHBondContact O-N 3.35Å; Y135-L258 HydrophobicContact CD1-CD1 3.47Å; Y135-L258 VanDerWaalsContact CD1-CD1 3.47Å; Y135-L258 HydrophobicContact CD1-CG 4.36Å; Y135-L258 HydrophobicContact CE1-CD1 4.31Å; Y135-L258 HydrophobicContact CG-CD1 3.92Å; W149-L258 HydrophobicContact CH2-CD1 3.73Å; W149-L258 HydrophobicContact CH2-CD2 3.96Å; W149-L258 HydrophobicContact CH2-CG 4.12Å; W149-L258 HydrophobicContact CZ3-CD1 4Å; W149-L258 HydrophobicContact CZ3-CD2 4.21Å; P229-L258 HydrophobicContact CG-CD1 3.37Å; F242-L258 HydrophobicContact CB-CB 4.28Å; F242-L258 HydrophobicContact CD1-CB 4.46Å; F242-L258 HydrophobicContact CD1-CD1 3.77Å; F242-L258 HydrophobicContact CE1-CD1 4.25Å; F242-L258 PolarHBondContact O-N 3.28Å; L258-K260 PolarHBondContact O-N 3.46Å; L258-K260 VanDerWaalsContact O-N 3.1Å; L258-A261 VanDerWaalsContact O-CB 3.26Å; L258-A261 WeakPolarHBondContact O-CB 3.42Å; L258-A261 PolarHBondContact O-N 3.27Å
259S94.7Very high94.1Very high27 Ų2764.4 Ų64.419%0.18937%0.366CS..G310 helixtrans-59.1-21.5176.869.20000113.7F242 G243 A257F242-S259 WeakPolarHBondContact O-CB 3.08Å; F242-S259 PolarHBondContact O-N 2.78Å; F242-S259 PolarHBondContact O-OG 2.81Å; G243-S259 PolarHBondContact O-OG 2.87Å; A257-S259 PolarHBondContact O-N 3.46Å
260K95.4Very high93.6Very high154 Ų15469.4 Ų69.467%0.6739%0.39SS*.G310 helixtrans-100.86-179.4-56-60-179.6-1720113.2A257 L258A257-K260 HydrophobicContact CB-CB 4.38Å; A257-K260 HydrophobicContact CB-CG 3.96Å; A257-K260 PolarHBondContact O-N 3.31Å; L258-K260 PolarHBondContact O-N 3.46Å; L258-K260 VanDerWaalsContact O-N 3.1Å
261A94.7Very high93Very high9 Ų969 Ų697%0.07438%0.381CS..  trans-59.8135175.100000110.9W91 L128 H133 L258 I266W91-A261 HydrophobicContact CZ2-CB 4.49Å; L128-A261 HydrophobicContact CD2-CB 3.66Å; H133-A261 WeakPolarHBondContact NE2-CA 3.45Å; H133-A261 VanDerWaalsContact NE2-CB 3.32Å; H133-A261 WeakPolarHBondContact NE2-CB 3.45Å; L258-A261 VanDerWaalsContact O-CB 3.26Å; L258-A261 WeakPolarHBondContact O-CB 3.42Å; L258-A261 PolarHBondContact O-N 3.27Å; A261-I266 HydrophobicContact CB-CD1 4.01Å; A261-I266 HydrophobicContact CB-CG1 3.87Å; A261-I266 WeakPolarHBondContact O-CD1 3.22Å
262P94.7Very high92.1Very high67 Ų6769 Ų6944%0.43538%0.382SS..  trans-59.5143.3173.9-23.533000111.9G264 Y265P262-G264 PolarHBondContact O-N 3.02Å; P262-G264 VanDerWaalsContact O-N 3.09Å; P262-Y265 HydrophobicContact CB-CD2 4.42Å; P262-Y265 HydrophobicContact CB-CG 4.33Å; P262-Y265 HydrophobicContact CG-CD2 3.96Å; P262-Y265 HydrophobicContact CG-CE2 4.02Å; P262-Y265 HydrophobicContact CG-CG 4.37Å; P262-Y265 WeakPolarHBondContact O-CB 3.45Å; P262-Y265 PolarHBondContact O-N 3.21Å
263D90.3Very high90.8Very high143 Ų14363.1 Ų63.177%0.76537%0.367SS*.G310 helixtrans-53.9-36.2-178.2-76.5-33.8000113.4Y265 I266D263-Y265 PolarHBondContact O-N 2.8Å; D263-I266 PolarHBondContact O-N 2.72Å
264G93.4Very high88.6Confident74 Ų7464.2 Ų64.276%0.76337%0.373SS*.G310 helixtrans-67.9-11.8177.200000115P262P262-G264 PolarHBondContact O-N 3.02Å; P262-G264 VanDerWaalsContact O-N 3.09Å
265Y94.8Very high86.2Confident89 Ų8964.3 Ų64.335%0.34937%0.367SS..G310 helixtrans-97.5-15.1176.4-64.93.2000111.9L128 M129 K130 H133 P262 D263L128-Y265 WeakPolarHBondContact CA-O 3.49Å; M129-Y265 PolarHBondContact N-O 2.66Å; K130-Y265 HydrophobicContact CB-CD1 3.86Å; K130-Y265 HydrophobicContact CB-CD2 4.11Å; K130-Y265 HydrophobicContact CB-CE1 4.1Å; K130-Y265 HydrophobicContact CB-CE2 4.31Å; K130-Y265 HydrophobicContact CB-CG 3.88Å; K130-Y265 HydrophobicContact CD-CD1 4.4Å; K130-Y265 HydrophobicContact CD-CE1 4.29Å; H133-Y265 AromaticContact CE1-CD2 3.9Å; P262-Y265 HydrophobicContact CB-CD2 4.42Å; P262-Y265 HydrophobicContact CB-CG 4.33Å; P262-Y265 HydrophobicContact CG-CD2 3.96Å; P262-Y265 HydrophobicContact CG-CE2 4.02Å; P262-Y265 HydrophobicContact CG-CG 4.37Å; P262-Y265 WeakPolarHBondContact O-CB 3.45Å; P262-Y265 PolarHBondContact O-N 3.21Å; D263-Y265 PolarHBondContact O-N 2.8Å
266I95.5Very high83.2Confident29 Ų2972.2 Ų72.215%0.14940%0.404CS..EExtended strand (participates in β ladder)trans-91.2135.5-173.2-63.1176000110.2W91 K126 G127 A261 D263W91-I266 HydrophobicContact CZ2-CD1 4.01Å; W91-I266 HydrophobicContact CZ2-CG1 4.06Å; K126-I266 HydrophobicContact CB-CG2 4.01Å; K126-I266 HydrophobicContact CD-CG2 3.87Å; K126-I266 HydrophobicContact CG-CG2 3.98Å; G127-I266 WeakPolarHBondContact O-CA 3.47Å; A261-I266 HydrophobicContact CB-CD1 4.01Å; A261-I266 HydrophobicContact CB-CG1 3.87Å; A261-I266 WeakPolarHBondContact O-CD1 3.22Å; D263-I266 PolarHBondContact O-N 2.72Å
267V94.8Very high80.4Confident50 Ų5072.9 Ų72.930%0.30341%0.409SS..EExtended strand (participates in β ladder)trans-116.9127167.9176.30000108.8K126 G127 M129 A226 F228K126-V267 CarbonylContact C-O 3.53Å; K126-V267 WeakPolarHBondContact CA-O 3.24Å; G127-V267 PolarHBondContact N-O 2.93Å; G127-V267 PolarHBondContact O-N 2.8Å; M129-V267 HydrophobicContact CB-CG2 4.44Å; M129-V267 HydrophobicContact CG-CB 4.45Å; M129-V267 HydrophobicContact CG-CG2 3.27Å; M129-V267 HydrophobicContact SD-CG2 4.31Å; A226-V267 HydrophobicContact CB-CB 3.74Å; A226-V267 HydrophobicContact CB-CG1 4.06Å; A226-V267 HydrophobicContact CB-CG2 3.92Å; F228-V267 HydrophobicContact CZ-CG1 4.22Å
268K93.3Very high77.6Confident105 Ų10578.1 Ų78.146%0.45744%0.439SS..EExtended strand (participates in β ladder)trans-77.7143.6173.8-63.9-176.1-176.6-179.90110L88 N89L88-K268 HydrophobicContact CB-CD 4.44Å; N89-K268 PolarHBondContact OD1-NZ 3.25Å
269S91.2Very high75Confident5 Ų586.5 Ų86.54%0.03548%0.478CS..  trans-60.2140.2175.1-176.10000110.6L88 N94 T125 H271L88-S269 WeakPolarHBondContact CD1-O 3.43Å; N94-S269 PolarHBondContact ND2-OG 2.88Å; T125-S269 WeakPolarHBondContact O-CB 3.34Å; T125-S269 PolarHBondContact O-N 3.18Å; S269-H271 VanDerWaalsContact C-N 3.28Å; S269-H271 PolarHBondContact OG-N 2.91Å
270Q87Confident73Confident159 Ų15988.2 Ų88.274%0.74349%0.488SS*.SBendtrans-76.8-19.1171.6-52.5171.5000111.7M152 S272M152-Q270 HydrophobicContact CE-CB 3.46Å; M152-Q270 VanDerWaalsContact CE-CB 3.46Å; M152-Q270 HydrophobicContact CE-CG 3.76Å; M152-Q270 HydrophobicContact SD-CB 4.08Å; M152-Q270 HydrophobicContact SD-CG 3.7Å; Q270-S272 VanDerWaalsContact C-N 3.26Å; Q270-S272 PolarHBondContact O-N 2.73Å
271H82.6Confident71.5Confident70 Ų7089.2 Ų89.232%0.32449%0.492SS..  trans-76.280.9171.8-58.4115.1000109.2N94 D97 M152 S269N94-H271 PolarHBondContact ND2-O 3.3Å; N94-H271 PolarHBondContact OD1-O 3.45Å; D97-H271 HydrophobicContact CB-CB 3.83Å; D97-H271 IonicContact OD1-CE1 3.2Å; D97-H271 IonicContact OD1-ND1 3.67Å; D97-H271 IonicContact OD2-CE1 3.45Å; D97-H271 IonicContact OD2-CG 2.76Å; D97-H271 IonicContact OD2-ND1 2.69Å; D97-H271 PolarHBondContact OD2-ND1 2.92Å; M152-H271 WeakPolarHBondContact CE-ND1 3.35Å; S269-H271 VanDerWaalsContact C-N 3.28Å; S269-H271 PolarHBondContact OG-N 2.91Å
272S73.4Confident70.3Confident31 Ų3193.7 Ų93.722%0.21751%0.51CS..  trans-95.1152.2158.752.30000107Q270 N274Q270-S272 VanDerWaalsContact C-N 3.26Å; Q270-S272 PolarHBondContact O-N 2.73Å; S272-N274 PolarHBondContact O-N 2.88Å
273G61.4Low69.7Low35 Ų3593.3 Ų93.336%0.36150%0.504SS..SBendtrans-57.422.1178.900000117.5Y96 A275Y96-G273 VanDerWaalsContact CD2-N 3.31Å; G273-A275 PolarHBondContact O-N 3.49Å
274N46.1Very low69.7Low137 Ų13788.6 Ų88.673%0.73348%0.481SS*.  trans-63.453.3155.5-65.6-7.2000110.4S272 Q276S272-N274 PolarHBondContact O-N 2.88Å; N274-Q276 PolarHBondContact O-N 2.99Å; N274-Q276 VanDerWaalsContact O-N 3.13Å
275A42.2Very low69.6Low63 Ų6386.7 Ų86.752%0.52145%0.454SS..  trans-58.2121155.800000105.2G273 V277G273-A275 PolarHBondContact O-N 3.49Å; A275-V277 PolarHBondContact O-N 2.96Å
276Q33.5Very low69.5Low186 Ų18682.6 Ų82.687%0.86944%0.438SS*.  trans-55.5100.2149.3-74.9-162.6-13.200103.6N274 T278N274-Q276 PolarHBondContact O-N 2.99Å; N274-Q276 VanDerWaalsContact O-N 3.13Å; Q276-T278 PolarHBondContact O-N 3.29Å
277V36.6Very low69.5Low84 Ų8481.2 Ų81.251%0.50943%0.431SS..  trans-59.194.4168-177.70000102.8A275 Q279A275-V277 PolarHBondContact O-N 2.96Å; V277-Q279 VanDerWaalsContact C-N 3.27Å; V277-Q279 PolarHBondContact O-N 3.44Å
278T38.4Very low69.5Low123 Ų12379.1 Ų79.176%0.75542%0.418SS*.  trans-46.6111.5155.713.90000102.2Q276 T280Q276-T278 PolarHBondContact O-N 3.29Å; T278-T280 PolarHBondContact O-N 3.29Å
279Q41.7Very low69.7Low177 Ų17774.1 Ų74.183%0.82740%0.396SS*.  trans-50.7100.8179.1-78.5178.7-15.700105.3V277 K281V277-Q279 VanDerWaalsContact C-N 3.27Å; V277-Q279 PolarHBondContact O-N 3.44Å; Q279-K281 VanDerWaalsContact C-N 3.26Å; Q279-K281 PolarHBondContact O-N 2.97Å
280T52Low70Confident63 Ų6373.9 Ų73.939%0.38739%0.394SS..  trans-62.5106.2172.1-41.70000101.8T278 F282 Q363 S396T278-T280 PolarHBondContact O-N 3.29Å; T280-F282 PolarHBondContact O-N 3.28Å; T280-F282 VanDerWaalsContact O-N 3.09Å; T280-Q363 HydrophobicContact CG2-CG 4.4Å; T280-S396 WeakPolarHBondContact OG1-CB 3.4Å
281K63.1Low70.6Confident174 Ų17466.3 Ų66.376%0.75736%0.359SS*.  trans-49.4128.1-178.8-77.5-175.7177.2179.80106Q279 L283 Q363Q279-K281 VanDerWaalsContact C-N 3.26Å; Q279-K281 PolarHBondContact O-N 2.97Å; K281-L283 PolarHBondContact O-N 2.91Å; K281-Q363 PolarHBondContact O-NE2 3.28Å; K281-Q363 VanDerWaalsContact O-NE2 3.16Å
282F70.2Confident71.3Confident104 Ų10463 Ų6346%0.45634%0.344SS..  trans-54.5118.8173.1176.7-92.9000107.2T280 P284T280-F282 PolarHBondContact O-N 3.28Å; T280-F282 VanDerWaalsContact O-N 3.09Å; F282-P284 HydrophobicContact CE1-CB 4.35Å
283L83.3Confident72.3Confident58 Ų5861.6 Ų61.630%0.30433%0.334SS..  trans-108.1120.1176.9-70.1-179.7000106.5K281 N285 A286 N360K281-L283 PolarHBondContact O-N 2.91Å; L283-N285 PolarHBondContact O-N 3.39Å; L283-A286 HydrophobicContact CB-CB 3.71Å; L283-A286 PolarHBondContact O-N 3.15Å; L283-A286 VanDerWaalsContact O-N 3.12Å; L283-N360 VanDerWaalsContact CD1-ND2 3.26Å; L283-N360 WeakPolarHBondContact CD1-ND2 3.41Å
284P88.4Confident73.8Confident45 Ų4560.2 Ų60.229%0.29232%0.319SS..THydrogen-bonded Turntrans-61.9-29.5-17625.2-34.2000112.1F282 A286 L336 G339 V340F282-P284 HydrophobicContact CE1-CB 4.35Å; P284-A286 VanDerWaalsContact C-N 3.34Å; P284-A286 PolarHBondContact O-N 3.49Å; P284-L336 CarbonylContact C-O 3.59Å; P284-L336 VanDerWaalsContact C-O 3.28Å; P284-G339 CarbonylContact O-C 3.59Å; P284-G339 WeakPolarHBondContact O-CA 3.42Å; P284-V340 PolarHBondContact O-N 2.93Å
285N92.6Very high75.7Confident34 Ų3454.2 Ų54.218%0.18229%0.287CS..THydrogen-bonded Turntrans-92.819.7179.971.3-32.8000114.2L283 L336 K358 N360L283-N285 PolarHBondContact O-N 3.39Å; N285-L336 HydrophobicContact CB-CB 4.2Å; N285-L336 HydrophobicContact CB-CD2 4.4Å; N285-L336 PolarHBondContact N-O 3.35Å; N285-K358 WeakPolarHBondContact CB-O 3.29Å; N285-K358 PolarHBondContact ND2-O 2.72Å; N285-N360 PolarHBondContact O-N 3Å
286A92.8Very high77.8Confident3 Ų354.9 Ų54.93%0.02528%0.276CS..  trans-118.490.6-178.900000112.1L283 P284 N360 Q363L283-A286 HydrophobicContact CB-CB 3.71Å; L283-A286 PolarHBondContact O-N 3.15Å; L283-A286 VanDerWaalsContact O-N 3.12Å; P284-A286 VanDerWaalsContact C-N 3.34Å; P284-A286 PolarHBondContact O-N 3.49Å; A286-N360 VanDerWaalsContact CA-O 3.29Å; A286-N360 WeakPolarHBondContact CA-O 3.1Å; A286-N360 HydrophobicContact CB-CB 4.12Å; A286-Q363 HydrophobicContact CB-CB 3.92Å; A286-Q363 HydrophobicContact CB-CG 3.74Å
287P95.8Very high80.3Confident0 Ų046.9 Ų46.90%024%0.239CC..  trans-67.7158.1-179.430.4-37.3000112.3V340 V343 L359 N360 Q363 V364P287-V340 HydrophobicContact CB-CG1 4.17Å; P287-V343 HydrophobicContact CB-CB 4.35Å; P287-V343 HydrophobicContact CB-CG2 3.84Å; P287-V343 HydrophobicContact CG-CB 4.23Å; P287-V343 HydrophobicContact CG-CG2 3.75Å; P287-L359 HydrophobicContact CG-CD1 3.98Å; P287-N360 WeakPolarHBondContact CD-O 3.19Å; P287-Q363 CarbonylContact O-C 3.59Å; P287-V364 HydrophobicContact CG-CG2 4.2Å; P287-V364 WeakPolarHBondContact O-CA 3.43Å; P287-V364 WeakPolarHBondContact O-CG2 3.47Å; P287-V364 PolarHBondContact O-N 2.99Å
288K94.1Very high82.7Confident5 Ų543.1 Ų43.12%0.02222%0.216CC..SBendtrans-88.3-26.6171.2-57.8-168.6-162.7-66.50112.6V64 T67 L68 D341 Q363 R365 F366V64-K288 HydrophobicContact CG1-CB 4.16Å; V64-K288 HydrophobicContact CG1-CD 4.15Å; V64-K288 HydrophobicContact CG2-CB 4Å; T67-K288 HydrophobicContact CG2-CD 3.78Å; L68-K288 HydrophobicContact CG-CD 4.47Å; K288-D341 PolarHBondContact N-O 2.9Å; K288-Q363 WeakPolarHBondContact CA-O 3.4Å; K288-R365 PolarHBondContact O-N 3.19Å; K288-F366 PolarHBondContact O-N 3.33Å; K288-F366 VanDerWaalsContact O-N 3.16Å
289A97.3Very high85.3Confident0 Ų037.3 Ų37.30%018%0.18CC..EExtended strand (participates in β ladder)trans-127.7135.517600000111.1V60 V64 D341 I342 V343 F366V60-A289 HydrophobicContact CG1-CB 3.58Å; V64-A289 HydrophobicContact CG2-CB 4.04Å; A289-D341 PolarHBondContact N-O 2.91Å; A289-D341 VanDerWaalsContact N-O 3.15Å; A289-I342 HydrophobicContact CB-CG1 4.23Å; A289-I342 HydrophobicContact CB-CG2 4.22Å; A289-V343 PolarHBondContact O-N 3.4Å; A289-F366 HydrophobicContact CB-CB 3.92Å; A289-F366 HydrophobicContact CB-CD2 4.28Å; A289-F366 HydrophobicContact CB-CG 4.5Å
290L98.1Very high87.7Confident0 Ų030.8 Ų30.80%015%0.15CC..EExtended strand (participates in β ladder)trans-122.1116.1174.6175.766.3000109V292 V343 L350 L361 V364 F366 L367 V368 M387 I391L290-V292 HydrophobicContact CD2-CG2 4.41Å; L290-V292 HydrophobicContact CG-CG2 4.2Å; L290-V343 HydrophobicContact CD1-CB 4.07Å; L290-V343 HydrophobicContact CD1-CG1 3.65Å; L290-L350 HydrophobicContact CD1-CD1 4.2Å; L290-L350 HydrophobicContact CD1-CD2 3.81Å; L290-L361 HydrophobicContact CD2-CD2 4.14Å; L290-V364 HydrophobicContact CB-CG1 4.15Å; L290-V364 HydrophobicContact CB-CG2 4.36Å; L290-F366 PolarHBondContact N-O 3.43Å; L290-L367 HydrophobicContact CD2-CD1 4Å; L290-L367 HydrophobicContact CG-CD1 4.3Å; L290-L367 WeakPolarHBondContact O-CA 3.43Å; L290-V368 PolarHBondContact O-N 3.39Å; L290-M387 HydrophobicContact CD2-CE 3.23Å; L290-I391 HydrophobicContact CD2-CD1 4.45Å
291I98.5Very high89.5Confident1 Ų129.9 Ų29.91%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-109.9121.4178.1-57.8159.9000108.3F56 E293 T302 I306 I342 V343 V344 G345 V368F56-I291 HydrophobicContact CE2-CD1 4.01Å; F56-I291 HydrophobicContact CE2-CG1 4.31Å; F56-I291 HydrophobicContact CE2-CG2 4.05Å; F56-I291 HydrophobicContact CZ-CG2 4.24Å; I291-E293 HydrophobicContact CG2-CG 4.38Å; I291-T302 HydrophobicContact CG2-CG2 4.05Å; I291-I306 HydrophobicContact CD1-CD1 3.51Å; I291-I342 HydrophobicContact CD1-CG2 3.98Å; I291-V343 PolarHBondContact N-O 3.42Å; I291-V344 HydrophobicContact CB-CG1 4.41Å; I291-V344 HydrophobicContact CB-CG2 4.23Å; I291-V344 HydrophobicContact CD1-CG2 4Å; I291-V344 HydrophobicContact CG2-CG1 4.31Å; I291-V344 CarbonylContact O-C 3.57Å; I291-V344 WeakPolarHBondContact O-CA 3.29Å; I291-G345 PolarHBondContact O-N 3.32Å; I291-V368 WeakPolarHBondContact CA-O 3.5Å; I291-V368 HydrophobicContact CB-CB 4.24Å; I291-V368 HydrophobicContact CG1-CB 3.86Å; I291-V368 HydrophobicContact CG1-CG2 3.92Å; I291-V368 HydrophobicContact CG2-CB 4.15Å; I291-V368 HydrophobicContact CG2-CG1 4.28Å
292V98.2Very high91Very high1 Ų121.6 Ų21.61%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-107.8127.4-176.3-175.90000109.3L290 G345 P347 L350 L367 V368 L369 D370 L375 F383L290-V292 HydrophobicContact CD2-CG2 4.41Å; L290-V292 HydrophobicContact CG-CG2 4.2Å; V292-G345 WeakPolarHBondContact CA-O 3.34Å; V292-P347 HydrophobicContact CG1-CG 3.96Å; V292-L350 HydrophobicContact CG1-CD1 4.41Å; V292-L350 HydrophobicContact CG2-CD1 4.07Å; V292-L367 HydrophobicContact CG2-CD1 4.22Å; V292-V368 PolarHBondContact N-O 3.24Å; V292-L369 HydrophobicContact CB-CD2 3.87Å; V292-L369 HydrophobicContact CG1-CD2 4.49Å; V292-L369 HydrophobicContact CG2-CD2 3.97Å; V292-D370 PolarHBondContact O-N 2.88Å; V292-L375 HydrophobicContact CB-CD1 4.45Å; V292-L375 HydrophobicContact CG1-CD1 4Å; V292-L375 HydrophobicContact CG1-CD2 3.94Å; V292-F383 HydrophobicContact CG1-CE1 3.88Å
293E95Very high92.3Very high0 Ų017.2 Ų17.20%09%0.086CC..  trans-125.4140.4-174.8-68.4-78.8-171.800110.3I291 S295 L298 A299 T302 V344 G345 P347 D370I291-E293 HydrophobicContact CG2-CG 4.38Å; E293-S295 VanDerWaalsContact C-N 3.31Å; E293-S295 PolarHBondContact O-N 3.1Å; E293-L298 HydrophobicContact CB-CB 4.22Å; E293-A299 HydrophobicContact CB-CB 3.91Å; E293-A299 HydrophobicContact CG-CB 4.18Å; E293-T302 VanDerWaalsContact OE1-CB 3.31Å; E293-T302 WeakPolarHBondContact OE1-CB 3.18Å; E293-T302 PolarHBondContact OE1-OG1 3.42Å; E293-V344 HydrophobicContact CG-CG1 4.03Å; E293-G345 PolarHBondContact N-O 3.21Å; E293-P347 VanDerWaalsContact O-CD 3.23Å; E293-P347 WeakPolarHBondContact O-CD 3.23Å; E293-D370 WeakPolarHBondContact OE1-CB 3.34Å
294P91.1Very high92.9Very high7 Ų717.7 Ų17.75%0.0459%0.089CC..SBendtrans-72.7-22.1-176.824.5-31000113.8L298 D370 E371 L375 Q378P294-L298 HydrophobicContact CG-CD1 3.68Å; P294-D370 WeakPolarHBondContact CD-O 3.41Å; P294-E371 HydrophobicContact CG-CB 3.63Å; P294-L375 HydrophobicContact CB-CD2 3.9Å; P294-L375 HydrophobicContact CB-CG 4.07Å; P294-L375 HydrophobicContact CG-CG 4.46Å; P294-Q378 PolarHBondContact O-NE2 2.95Å
295S87.9Confident93.1Very high10 Ų1017 Ų177%0.078%0.083CC..SBendtrans-131.1159.7-178.6890000112.1E293 L298 A299 T346E293-S295 VanDerWaalsContact C-N 3.31Å; E293-S295 PolarHBondContact O-N 3.1Å; S295-L298 WeakPolarHBondContact OG-CB 3.27Å; S295-L298 WeakPolarHBondContact OG-CG 3.39Å; S295-L298 PolarHBondContact OG-N 3.1Å; S295-L298 VanDerWaalsContact OG-N 3.16Å; S295-A299 PolarHBondContact O-N 3.14Å; S295-A299 VanDerWaalsContact O-N 3.1Å; S295-T346 VanDerWaalsContact C-CG2 3.44Å; S295-T346 WeakPolarHBondContact O-CG2 3.41Å
296R86.5Confident93.3Very high77 Ų7715.4 Ų15.429%0.2918%0.075SC..Hα-helixtrans-71-36.8-179.8-61.2-176.1-172.31675.2111.4L298 A299 E300 I324 G325 T346 P551R296-L298 VanDerWaalsContact C-N 3.33Å; R296-A299 PolarHBondContact O-N 3.03Å; R296-E300 WeakPolarHBondContact O-CG 3.18Å; R296-E300 PolarHBondContact O-N 3.11Å; R296-I324 HydrophobicContact CB-CB 4.48Å; R296-I324 HydrophobicContact CB-CD1 4.17Å; R296-I324 HydrophobicContact CB-CG2 4.35Å; R296-I324 HydrophobicContact CG-CB 4.06Å; R296-I324 HydrophobicContact CG-CD1 4.45Å; R296-I324 HydrophobicContact CG-CG2 4.24Å; R296-G325 WeakPolarHBondContact CD-O 3.49Å; R296-G325 PolarHBondContact NE-O 3.2Å; R296-G325 PolarHBondContact NH1-O 3.05Å; R296-T346 HydrophobicContact CG-CG2 4.01Å; R296-P551 VanDerWaalsContact NH1-CG 3.25Å
297E84.6Confident93.5Very high18 Ų1819.6 Ų19.68%0.0849%0.092CC..Hα-helixtrans-65-42.4-179.9-6862.4-14700110.1E300 Q301 R554E297-E300 PolarHBondContact O-N 2.88Å; E297-Q301 WeakPolarHBondContact O-CB 3.29Å; E297-Q301 PolarHBondContact O-N 2.76Å; E297-R554 IonicContact OE1-CZ 3.09Å; E297-R554 IonicContact OE1-NE 3.85Å; E297-R554 PolarHBondContact OE1-NE 2.81Å; E297-R554 IonicContact OE1-NH1 2.59Å; E297-R554 PolarHBondContact OE1-NH1 2.76Å; E297-R554 IonicContact OE1-NH2 3.52Å; E297-R554 PolarHBondContact OE1-NH2 3.29Å; E297-R554 IonicContact OE2-CZ 3.91Å; E297-R554 IonicContact OE2-NH1 3.55Å; E297-R554 PolarHBondContact OE2-NH1 3.07Å; E297-R554 IonicContact OE2-NH2 3.19Å; E297-R554 PolarHBondContact OE2-NH2 3.37Å
298L87.1Confident93.5Very high6 Ų623.7 Ų23.73%0.03111%0.111CC..Hα-helixtrans-60.7-50.3171.4-88.6171.1000112E293 P294 S295 R296 E300 Q301 T302 E371 G578E293-L298 HydrophobicContact CB-CB 4.22Å; P294-L298 HydrophobicContact CG-CD1 3.68Å; S295-L298 WeakPolarHBondContact OG-CB 3.27Å; S295-L298 WeakPolarHBondContact OG-CG 3.39Å; S295-L298 PolarHBondContact OG-N 3.1Å; S295-L298 VanDerWaalsContact OG-N 3.16Å; R296-L298 VanDerWaalsContact C-N 3.33Å; L298-E300 VanDerWaalsContact C-N 3.29Å; L298-E300 PolarHBondContact O-N 3.09Å; L298-Q301 WeakPolarHBondContact O-CB 3.27Å; L298-Q301 PolarHBondContact O-N 2.99Å; L298-Q301 VanDerWaalsContact O-N 3.08Å; L298-T302 WeakPolarHBondContact O-CB 3.49Å; L298-T302 PolarHBondContact O-N 3.28Å; L298-T302 PolarHBondContact O-OG1 3.23Å; L298-E371 HydrophobicContact CD1-CB 4.48Å; L298-E371 HydrophobicContact CD1-CG 4Å; L298-G578 WeakPolarHBondContact CD2-O 3.15Å
299A92.9Very high93.6Very high0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-58-40.6176.500000112.8E293 S295 R296 L303 L322 I324 V344 T346E293-A299 HydrophobicContact CB-CB 3.91Å; E293-A299 HydrophobicContact CG-CB 4.18Å; S295-A299 PolarHBondContact O-N 3.14Å; S295-A299 VanDerWaalsContact O-N 3.1Å; R296-A299 PolarHBondContact O-N 3.03Å; A299-L303 WeakPolarHBondContact O-CB 3.23Å; A299-L303 PolarHBondContact O-N 3.49Å; A299-L322 HydrophobicContact CB-CD1 3.56Å; A299-L322 WeakPolarHBondContact O-CD1 3.23Å; A299-I324 HydrophobicContact CB-CG2 3.93Å; A299-V344 HydrophobicContact CB-CG1 4.01Å; A299-V344 WeakPolarHBondContact O-CG1 3.38Å; A299-T346 HydrophobicContact CB-CG2 4.37Å
300E92.6Very high93.5Very high40 Ų4024.3 Ų24.319%0.18711%0.114CC..Hα-helixtrans-63.4-44.8173.8-80-172.5-152.700112R296 E297 L298 L303 N304 L322 I324 K555R296-E300 WeakPolarHBondContact O-CG 3.18Å; R296-E300 PolarHBondContact O-N 3.11Å; E297-E300 PolarHBondContact O-N 2.88Å; L298-E300 VanDerWaalsContact C-N 3.29Å; L298-E300 PolarHBondContact O-N 3.09Å; E300-L303 PolarHBondContact O-N 2.92Å; E300-N304 WeakPolarHBondContact O-CB 3.33Å; E300-N304 PolarHBondContact O-N 3.43Å; E300-N304 PolarHBondContact O-ND2 2.9Å; E300-N304 VanDerWaalsContact O-ND2 3.13Å; E300-L322 HydrophobicContact CB-CD2 4.5Å; E300-L322 HydrophobicContact CG-CD2 3.5Å; E300-I324 HydrophobicContact CG-CD1 4.46Å; E300-K555 IonicContact OE2-NZ 2.8Å; E300-K555 PolarHBondContact OE2-NZ 3.02Å
301Q89.3Confident93.4Very high44 Ų4430.2 Ų30.221%0.20614%0.14CC..Hα-helixtrans-63.8-47.3179.2-177.2175.7-29.600111.6E297 L298 L303 N304 N305 G578E297-Q301 WeakPolarHBondContact O-CB 3.29Å; E297-Q301 PolarHBondContact O-N 2.76Å; L298-Q301 WeakPolarHBondContact O-CB 3.27Å; L298-Q301 PolarHBondContact O-N 2.99Å; L298-Q301 VanDerWaalsContact O-N 3.08Å; Q301-L303 PolarHBondContact O-N 3.47Å; Q301-N304 WeakPolarHBondContact O-CB 3.42Å; Q301-N304 PolarHBondContact O-N 3.45Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; Q301-N305 PolarHBondContact O-N 3.45Å; Q301-G578 PolarHBondContact OE1-O 3.41Å; Q301-G578 VanDerWaalsContact OE1-O 3.09Å
302T94.9Very high93.3Very high1 Ų133.4 Ų33.41%0.00615%0.152CC..Hα-helixtrans-61.4-43.6176.6-65.70000111.6T53 F56 I291 E293 L298 N304 N305 I306 V344T53-T302 HydrophobicContact CG2-CG2 4.03Å; F56-T302 HydrophobicContact CE2-CG2 4.24Å; F56-T302 HydrophobicContact CZ-CG2 3.99Å; I291-T302 HydrophobicContact CG2-CG2 4.05Å; E293-T302 VanDerWaalsContact OE1-CB 3.31Å; E293-T302 WeakPolarHBondContact OE1-CB 3.18Å; E293-T302 PolarHBondContact OE1-OG1 3.42Å; L298-T302 WeakPolarHBondContact O-CB 3.49Å; L298-T302 PolarHBondContact O-N 3.28Å; L298-T302 PolarHBondContact O-OG1 3.23Å; T302-N304 VanDerWaalsContact C-N 3.32Å; T302-N304 PolarHBondContact O-N 3.31Å; T302-N305 PolarHBondContact O-N 3.33Å; T302-I306 HydrophobicContact CG2-CD1 4.05Å; T302-I306 WeakPolarHBondContact O-CG1 3.35Å; T302-I306 PolarHBondContact O-N 3.15Å; T302-V344 HydrophobicContact CG2-CG1 3.99Å; T302-V344 HydrophobicContact CG2-CG2 4.24Å
303L97Very high93.1Very high11 Ų1133.8 Ų33.86%0.05815%0.154CC..Hα-helixtrans-62.5-38.7174.7-16689.1000112.3A299 E300 Q301 I306 K307 E320 L322 V344A299-L303 WeakPolarHBondContact O-CB 3.23Å; A299-L303 PolarHBondContact O-N 3.49Å; E300-L303 PolarHBondContact O-N 2.92Å; Q301-L303 PolarHBondContact O-N 3.47Å; L303-I306 PolarHBondContact O-N 2.97Å; L303-K307 WeakPolarHBondContact O-CG 3.47Å; L303-K307 PolarHBondContact O-N 3.23Å; L303-E320 HydrophobicContact CD1-CB 4.03Å; L303-E320 HydrophobicContact CD1-CG 3.74Å; L303-E320 HydrophobicContact CG-CG 4.14Å; L303-L322 HydrophobicContact CB-CD1 4.47Å; L303-L322 HydrophobicContact CD1-CB 4.31Å; L303-L322 HydrophobicContact CD2-CB 3.69Å; L303-L322 HydrophobicContact CG-CB 4.46Å; L303-V344 HydrophobicContact CB-CB 4.48Å; L303-V344 HydrophobicContact CB-CG2 4.35Å; L303-V344 HydrophobicContact CD1-CB 4.05Å; L303-V344 HydrophobicContact CD1-CG2 3.77Å
304N95.2Very high92.9Very high68 Ų6838.1 Ų38.136%0.36418%0.177SC..Hα-helixtrans-66.3-40.1176.9-70.8-27.2000111.6E300 Q301 T302 K307 Q308E300-N304 WeakPolarHBondContact O-CB 3.33Å; E300-N304 PolarHBondContact O-N 3.43Å; E300-N304 PolarHBondContact O-ND2 2.9Å; E300-N304 VanDerWaalsContact O-ND2 3.13Å; Q301-N304 WeakPolarHBondContact O-CB 3.42Å; Q301-N304 PolarHBondContact O-N 3.45Å; Q301-N304 VanDerWaalsContact O-N 3.16Å; T302-N304 VanDerWaalsContact C-N 3.32Å; T302-N304 PolarHBondContact O-N 3.31Å; N304-K307 WeakPolarHBondContact O-CB 3.36Å; N304-K307 PolarHBondContact O-N 3.4Å; N304-Q308 WeakPolarHBondContact O-CG 3.35Å; N304-Q308 PolarHBondContact O-N 3.01Å
305N94.2Very high92.8Very high30 Ų3042.8 Ų42.816%0.1620%0.202CC..Hα-helixtrans-61.8-45.9173.6-71.5-9.5000110.9T53 Q301 T302 K307 Q308 F309T53-N305 HydrophobicContact CG2-CB 3.98Å; T53-N305 WeakPolarHBondContact CG2-ND2 2.95Å; Q301-N305 PolarHBondContact O-N 3.45Å; T302-N305 PolarHBondContact O-N 3.33Å; N305-K307 VanDerWaalsContact C-N 3.29Å; N305-K307 PolarHBondContact O-N 3.09Å; N305-Q308 WeakPolarHBondContact O-CB 3.22Å; N305-Q308 PolarHBondContact O-N 3.47Å; N305-F309 HydrophobicContact CB-CD2 4.36Å; N305-F309 HydrophobicContact CB-CE2 3.73Å; N305-F309 HydrophobicContact CB-CZ 4.1Å; N305-F309 WeakPolarHBondContact O-CD2 3.48Å; N305-F309 VanDerWaalsContact O-CG 3.22Å; N305-F309 WeakPolarHBondContact O-CG 3.38Å; N305-F309 PolarHBondContact O-N 2.7Å
306I97.2Very high93Very high1 Ų143.4 Ų43.41%0.00521%0.205CC..Hα-helixtrans-57.7-42.1175.2-71164.1000111.6I61 I291 T302 L303 Q308 F309 K310 E320 I342 V344I61-I306 HydrophobicContact CD1-CB 4.24Å; I61-I306 HydrophobicContact CD1-CG1 4.2Å; I61-I306 HydrophobicContact CD1-CG2 3.99Å; I61-I306 HydrophobicContact CG1-CG2 4.27Å; I291-I306 HydrophobicContact CD1-CD1 3.51Å; T302-I306 HydrophobicContact CG2-CD1 4.05Å; T302-I306 WeakPolarHBondContact O-CG1 3.35Å; T302-I306 PolarHBondContact O-N 3.15Å; L303-I306 PolarHBondContact O-N 2.97Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 3.16Å; I306-F309 PolarHBondContact O-N 3.5Å; I306-K310 HydrophobicContact CG2-CD 3.93Å; I306-K310 WeakPolarHBondContact O-CB 2.94Å; I306-K310 WeakPolarHBondContact O-CD 3.18Å; I306-K310 WeakPolarHBondContact O-CG 3.22Å; I306-K310 PolarHBondContact O-N 3.48Å; I306-E320 HydrophobicContact CG2-CB 4.46Å; I306-I342 HydrophobicContact CD1-CG2 4.19Å; I306-I342 HydrophobicContact CG2-CD1 4.46Å; I306-V344 HydrophobicContact CD1-CG2 3.51Å
307K96.9Very high93.3Very high91 Ų9146.8 Ų46.840%0.39622%0.222SC..Hα-helixtrans-61.6-38.6175.1-78.2172.5175.3178.50112.8L303 N304 N305 K311 E320L303-K307 WeakPolarHBondContact O-CG 3.47Å; L303-K307 PolarHBondContact O-N 3.23Å; N304-K307 WeakPolarHBondContact O-CB 3.36Å; N304-K307 PolarHBondContact O-N 3.4Å; N305-K307 VanDerWaalsContact C-N 3.29Å; N305-K307 PolarHBondContact O-N 3.09Å; K307-K311 PolarHBondContact O-N 3.32Å; K307-E320 WeakPolarHBondContact CE-OE1 3.42Å; K307-E320 HydrophobicContact CG-CG 4.25Å; K307-E320 WeakPolarHBondContact CG-OE1 3.5Å
308Q95.4Very high93.7Very high86 Ų8646 Ų4640%0.40222%0.219SC..Hα-helixtrans-68.6-52.1176.1-68.5173.127.800110.3A16 M20 N304 N305 I306 K310 K311A16-Q308 WeakPolarHBondContact CB-O 3.39Å; M20-Q308 HydrophobicContact SD-CB 3.82Å; M20-Q308 PolarHBondContact SD-OE1 3.21Å; N304-Q308 WeakPolarHBondContact O-CG 3.35Å; N304-Q308 PolarHBondContact O-N 3.01Å; N305-Q308 WeakPolarHBondContact O-CB 3.22Å; N305-Q308 PolarHBondContact O-N 3.47Å; I306-Q308 VanDerWaalsContact C-N 3.32Å; I306-Q308 PolarHBondContact O-N 3.16Å; Q308-K310 VanDerWaalsContact C-N 3.31Å; Q308-K310 PolarHBondContact O-N 3.09Å; Q308-K311 WeakPolarHBondContact O-CB 3.33Å; Q308-K311 PolarHBondContact O-N 3.2Å; Q308-K311 VanDerWaalsContact O-N 3.12Å
309F95.7Very high94.2Very high0 Ų050.6 Ų50.60%024%0.236CC..Hα-helixtrans-60.4-35.8-178.7-59-36.5000113.7A16 V17 M20 W22 I58 I61 N305 I306A16-F309 WeakPolarHBondContact CB-O 3.21Å; V17-F309 HydrophobicContact CG2-CD1 3.99Å; V17-F309 HydrophobicContact CG2-CE1 4.32Å; M20-F309 HydrophobicContact CE-CE1 3.74Å; M20-F309 HydrophobicContact CE-CZ 4.36Å; M20-F309 HydrophobicContact SD-CD1 3.8Å; M20-F309 HydrophobicContact SD-CE1 3.57Å; M20-F309 VanDerWaalsContact SD-CE1 3.57Å; W22-F309 HydrophobicContact CH2-CE1 4.01Å; W22-F309 AromaticContact CH2-CZ 3.78Å; W22-F309 HydrophobicContact CH2-CZ 3.78Å; W22-F309 AromaticContact CZ3-CE1 3.94Å; W22-F309 HydrophobicContact CZ3-CE1 3.94Å; W22-F309 AromaticContact CZ3-CZ 4Å; W22-F309 HydrophobicContact CZ3-CZ 4Å; I58-F309 HydrophobicContact CG1-CD1 4.36Å; I58-F309 HydrophobicContact CG1-CD2 4.26Å; I58-F309 HydrophobicContact CG1-CE2 4.49Å; I58-F309 HydrophobicContact CG1-CG 4.2Å; I61-F309 HydrophobicContact CD1-CB 3.63Å; I61-F309 HydrophobicContact CD1-CD2 4.12Å; I61-F309 HydrophobicContact CD1-CG 4.39Å; N305-F309 HydrophobicContact CB-CD2 4.36Å; N305-F309 HydrophobicContact CB-CE2 3.73Å; N305-F309 HydrophobicContact CB-CZ 4.1Å; N305-F309 WeakPolarHBondContact O-CD2 3.48Å; N305-F309 VanDerWaalsContact O-CG 3.22Å; N305-F309 WeakPolarHBondContact O-CG 3.38Å; N305-F309 PolarHBondContact O-N 2.7Å; I306-F309 PolarHBondContact O-N 3.5Å
310K96.3Very high94.3Very high19 Ų1952.7 Ų52.78%0.08325%0.245CC..THydrogen-bonded Turntrans-90.27.2-18082.4-165.8-179.476.30114.5I61 I306 Q308 Y312 I313 L318 E320I61-K310 HydrophobicContact CG2-CB 3.98Å; I306-K310 HydrophobicContact CG2-CD 3.93Å; I306-K310 WeakPolarHBondContact O-CB 2.94Å; I306-K310 WeakPolarHBondContact O-CD 3.18Å; I306-K310 WeakPolarHBondContact O-CG 3.22Å; I306-K310 PolarHBondContact O-N 3.48Å; Q308-K310 VanDerWaalsContact C-N 3.31Å; Q308-K310 PolarHBondContact O-N 3.09Å; K310-Y312 PolarHBondContact O-N 2.65Å; K310-Y312 VanDerWaalsContact O-N 3.16Å; K310-I313 HydrophobicContact CB-CB 4.44Å; K310-I313 HydrophobicContact CB-CD1 4.04Å; K310-I313 HydrophobicContact CB-CG1 4.44Å; K310-I313 WeakPolarHBondContact O-CB 3.46Å; K310-I313 PolarHBondContact O-N 3.3Å; K310-L318 HydrophobicContact CB-CD1 4.26Å; K310-L318 HydrophobicContact CD-CB 4.04Å; K310-L318 HydrophobicContact CD-CD1 4.47Å; K310-L318 PolarHBondContact NZ-O 3.04Å; K310-E320 WeakPolarHBondContact CE-OE2 3.39Å; K310-E320 VanDerWaalsContact NZ-CD 3.3Å; K310-E320 IonicContact NZ-OE1 3.48Å; K310-E320 IonicContact NZ-OE2 3.71Å; K310-E320 PolarHBondContact NZ-OE2 3.34Å
311K95.3Very high94.5Very high123 Ų12351.4 Ų51.454%0.53524%0.24SC..THydrogen-bonded Turntrans-52.3-39-172.9-179.5-173.7176.4-170.30113.4E19 K307 Q308E19-K311 IonicContact OE2-NZ 2.79Å; E19-K311 PolarHBondContact OE2-NZ 3.05Å; K307-K311 PolarHBondContact O-N 3.32Å; Q308-K311 WeakPolarHBondContact O-CB 3.33Å; Q308-K311 PolarHBondContact O-N 3.2Å; Q308-K311 VanDerWaalsContact O-N 3.12Å
312Y95.6Very high94.9Very high68 Ų6850.8 Ų50.827%0.26724%0.238SC..THydrogen-bonded Turntrans-96.4-0.1-178.8-66.1-63.5000114.3E12 Q15 A16 E19 K310 D314E12-Y312 WeakPolarHBondContact O-CB 3.02Å; Q15-Y312 HydrophobicContact CB-CD2 3.94Å; Q15-Y312 HydrophobicContact CB-CE2 4.34Å; Q15-Y312 HydrophobicContact CG-CD2 3.71Å; Q15-Y312 HydrophobicContact CG-CE2 3.66Å; Q15-Y312 HydrophobicContact CG-CG 4.4Å; Q15-Y312 VanDerWaalsContact NE2-CZ 3.33Å; A16-Y312 HydrophobicContact CB-CD2 3.95Å; A16-Y312 HydrophobicContact CB-CE2 4.43Å; E19-Y312 WeakPolarHBondContact OE1-CE2 3.44Å; E19-Y312 VanDerWaalsContact OE1-CZ 3.29Å; E19-Y312 PolarHBondContact OE1-OH 2.86Å; E19-Y312 PolarHBondContact OE2-OH 2.79Å; K310-Y312 PolarHBondContact O-N 2.65Å; K310-Y312 VanDerWaalsContact O-N 3.16Å; Y312-D314 PolarHBondContact O-N 3.28Å
313I94.4Very high95Very high10 Ų1050.8 Ų50.85%0.05124%0.238CC..  trans-79.3115.2176.5-61.9-178.6000109.3M10 E12 I13 I61 Y65 K310 L318M10-I313 HydrophobicContact SD-CD1 4.18Å; M10-I313 HydrophobicContact SD-CG1 4.43Å; E12-I313 HydrophobicContact CB-CG1 4.21Å; I13-I313 HydrophobicContact CD1-CD1 3.96Å; I13-I313 HydrophobicContact CG1-CD1 3.7Å; I13-I313 HydrophobicContact CG1-CG1 4.22Å; I61-I313 HydrophobicContact CG2-CD1 3.3Å; Y65-I313 HydrophobicContact CD1-CG2 4.39Å; Y65-I313 HydrophobicContact CD2-CG2 3.16Å; Y65-I313 HydrophobicContact CE2-CG2 3.47Å; Y65-I313 VanDerWaalsContact CE2-CG2 3.47Å; Y65-I313 HydrophobicContact CG-CG2 3.67Å; K310-I313 HydrophobicContact CB-CB 4.44Å; K310-I313 HydrophobicContact CB-CD1 4.04Å; K310-I313 HydrophobicContact CB-CG1 4.44Å; K310-I313 WeakPolarHBondContact O-CB 3.46Å; K310-I313 PolarHBondContact O-N 3.3Å; I313-L318 HydrophobicContact CD1-CD1 3.89Å; I313-L318 HydrophobicContact CG2-CD1 4.07Å; I313-L318 HydrophobicContact CG2-CG 4.26Å
314D91.3Very high94.8Very high91 Ų9150.3 Ų50.349%0.48724%0.235SC..  trans-132160.1174.3-162.419.3000111.3Y65 Y312Y65-D314 WeakPolarHBondContact CE2-O 3.18Å; Y65-D314 PolarHBondContact OH-O 3.2Å; Y312-D314 PolarHBondContact O-N 3.28Å
315N89.1Confident94.3Very high105 Ų10547.7 Ų47.756%0.56122%0.224SC*.SBendtrans49.779.7176.1-61.8-60.7000115.4Y65Y65-N315 PolarHBondContact OH-O 3.46Å
316P90.5Very high93.8Very high22 Ų2249.2 Ų49.214%0.14325%0.247CC..SBendcis-82.7148.2-0.429-31000113Y65 L68 L318Y65-P316 HydrophobicContact CD2-CG 4.42Å; Y65-P316 HydrophobicContact CE2-CG 4.38Å; Y65-P316 WeakPolarHBondContact CE2-O 3.13Å; L68-P316 HydrophobicContact CB-CB 4.43Å; L68-P316 HydrophobicContact CB-CG 3.46Å; L68-P316 VanDerWaalsContact CB-CG 3.46Å; P316-L318 PolarHBondContact O-N 2.93Å
317K92.8Very high93.1Very high148 Ų14852 Ų5264%0.64326%0.264SS*.PPolyproline II helixtrans-70.2122.9172.2-171.3169-173.21690110.4
318L94.9Very high92.5Very high3 Ų350.3 Ų50.32%0.01627%0.267CS..PPolyproline II helixtrans-69.8132.4173.5-78.2173.3000111.7I61 V64 L68 K310 I313 P316 D341I61-L318 HydrophobicContact CG2-CD1 3.66Å; V64-L318 HydrophobicContact CB-CD2 4.25Å; V64-L318 HydrophobicContact CG1-CD2 3.5Å; L68-L318 HydrophobicContact CD1-CD2 3.52Å; K310-L318 HydrophobicContact CB-CD1 4.26Å; K310-L318 HydrophobicContact CD-CB 4.04Å; K310-L318 HydrophobicContact CD-CD1 4.47Å; K310-L318 PolarHBondContact NZ-O 3.04Å; I313-L318 HydrophobicContact CD1-CD1 3.89Å; I313-L318 HydrophobicContact CG2-CD1 4.07Å; I313-L318 HydrophobicContact CG2-CG 4.26Å; P316-L318 PolarHBondContact O-N 2.93Å; L318-D341 HydrophobicContact CD2-CB 4.22Å
319R95.8Very high91.9Very high102 Ų10248.1 Ų48.139%0.38526%0.264SS..  trans-109.5128.1177.1-68.3170.7-81.9-173.8-11.6111.2N338 G339 D341 I342R319-N338 PolarHBondContact NH1-O 3.33Å; R319-G339 WeakPolarHBondContact CD-O 3.44Å; R319-D341 WeakPolarHBondContact CB-OD2 3.49Å; R319-D341 PolarHBondContact N-OD2 2.86Å; R319-D341 IonicContact NE-OD2 3.34Å; R319-D341 WeakPolarHBondContact O-CA 3.47Å; R319-D341 WeakPolarHBondContact O-CB 3.21Å; R319-D341 PolarHBondContact O-N 2.86Å; R319-I342 PolarHBondContact O-N 2.87Å
320E96.4Very high91.6Very high43 Ų4358.2 Ų58.220%0.20130%0.302CS..EExtended strand (participates in β ladder)trans-120.8146.6-177.877.4-67.3-17500111.2L303 I306 K307 K310 I342L303-E320 HydrophobicContact CD1-CB 4.03Å; L303-E320 HydrophobicContact CD1-CG 3.74Å; L303-E320 HydrophobicContact CG-CG 4.14Å; I306-E320 HydrophobicContact CG2-CB 4.46Å; K307-E320 WeakPolarHBondContact CE-OE1 3.42Å; K307-E320 HydrophobicContact CG-CG 4.25Å; K307-E320 WeakPolarHBondContact CG-OE1 3.5Å; K310-E320 WeakPolarHBondContact CE-OE2 3.39Å; K310-E320 VanDerWaalsContact NZ-CD 3.3Å; K310-E320 IonicContact NZ-OE1 3.48Å; K310-E320 IonicContact NZ-OE2 3.71Å; K310-E320 PolarHBondContact NZ-OE2 3.34Å; E320-I342 CarbonylContact C-O 3.44Å; E320-I342 WeakPolarHBondContact CA-O 3.3Å; E320-I342 HydrophobicContact CB-CB 4.46Å
321L96.9Very high91.2Very high14 Ų1461.9 Ų61.97%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-136.5136.7177.1178.459.7000111.6I323 V335 L336 V340 I342 V343 V344L321-I323 HydrophobicContact CD2-CD1 4Å; L321-I323 HydrophobicContact CD2-CG1 3.9Å; L321-I323 HydrophobicContact CG-CD1 4.42Å; L321-I323 HydrophobicContact CG-CG1 3.85Å; L321-V335 HydrophobicContact CB-CG1 4.31Å; L321-V335 HydrophobicContact CD1-CB 3.85Å; L321-V335 HydrophobicContact CD1-CG1 3.85Å; L321-V335 HydrophobicContact CD1-CG2 4.22Å; L321-V335 HydrophobicContact CD2-CB 4.31Å; L321-V335 HydrophobicContact CD2-CG1 4.28Å; L321-V335 HydrophobicContact CG-CG1 4.36Å; L321-L336 HydrophobicContact CD2-CD1 4.38Å; L321-L336 HydrophobicContact CD2-CD2 3.61Å; L321-L336 HydrophobicContact CD2-CG 3.58Å; L321-V340 HydrophobicContact CB-CG2 3.65Å; L321-I342 PolarHBondContact N-O 2.93Å; L321-V343 HydrophobicContact CB-CG2 4.48Å; L321-V343 WeakPolarHBondContact O-CA 3.29Å; L321-V344 PolarHBondContact O-N 3.13Å
322L97.2Very high91Very high31 Ų3156.2 Ų56.216%0.16230%0.298CS..EExtended strand (participates in β ladder)trans-92.8120169.7-176.466.8000111.2A299 E300 L303 I324 V344A299-L322 HydrophobicContact CB-CD1 3.56Å; A299-L322 WeakPolarHBondContact O-CD1 3.23Å; E300-L322 HydrophobicContact CB-CD2 4.5Å; E300-L322 HydrophobicContact CG-CD2 3.5Å; L303-L322 HydrophobicContact CB-CD1 4.47Å; L303-L322 HydrophobicContact CD1-CB 4.31Å; L303-L322 HydrophobicContact CD2-CB 3.69Å; L303-L322 HydrophobicContact CG-CB 4.46Å; L322-I324 HydrophobicContact CD1-CG2 3.8Å; L322-I324 HydrophobicContact CD2-CD1 3.75Å; L322-I324 HydrophobicContact CD2-CG1 4.12Å; L322-I324 HydrophobicContact CG-CD1 4.22Å; L322-I324 HydrophobicContact CG-CG1 4.07Å; L322-I324 HydrophobicContact CG-CG2 3.96Å; L322-V344 CarbonylContact C-O 3.57Å; L322-V344 VanDerWaalsContact CA-O 3.32Å; L322-V344 WeakPolarHBondContact CA-O 3.36Å; L322-V344 HydrophobicContact CD1-CB 4.49Å
323I96.3Very high90.7Very high0 Ų055 Ų550%030%0.296CS..EExtended strand (participates in β ladder)trans-112.793.4-178.9-61.9-172.7000109.6L321 V343 V344 G345 T346 R349 L350 L353 L359L321-I323 HydrophobicContact CD2-CD1 4Å; L321-I323 HydrophobicContact CD2-CG1 3.9Å; L321-I323 HydrophobicContact CG-CD1 4.42Å; L321-I323 HydrophobicContact CG-CG1 3.85Å; I323-V343 HydrophobicContact CB-CG1 4.31Å; I323-V343 HydrophobicContact CD1-CB 4.48Å; I323-V343 HydrophobicContact CD1-CG1 3.52Å; I323-V343 HydrophobicContact CD1-CG2 4.04Å; I323-V343 HydrophobicContact CG1-CG1 3.91Å; I323-V344 PolarHBondContact N-O 3.42Å; I323-G345 CarbonylContact O-C 3.55Å; I323-G345 WeakPolarHBondContact O-CA 3.45Å; I323-T346 PolarHBondContact O-N 3.39Å; I323-R349 HydrophobicContact CG2-CB 3.92Å; I323-R349 HydrophobicContact CG2-CG 3.31Å; I323-L350 HydrophobicContact CB-CD2 3.96Å; I323-L350 HydrophobicContact CD1-CD2 4.23Å; I323-L350 HydrophobicContact CG2-CD2 3.82Å; I323-L350 HydrophobicContact CG2-CG 4.27Å; I323-L353 HydrophobicContact CD1-CD1 3.96Å; I323-L353 HydrophobicContact CG1-CD1 4.39Å; I323-L353 HydrophobicContact CG2-CD1 3.6Å; I323-L359 HydrophobicContact CD1-CD1 4.27Å; I323-L359 HydrophobicContact CD1-CD2 3.93Å
324I93.4Very high90.5Very high2 Ų256.8 Ų56.81%0.0131%0.309CS..  trans-132.7157.6-178.160.6169.2000113.2R296 A299 E300 L322 V327 Q332 T346 R349R296-I324 HydrophobicContact CB-CB 4.48Å; R296-I324 HydrophobicContact CB-CD1 4.17Å; R296-I324 HydrophobicContact CB-CG2 4.35Å; R296-I324 HydrophobicContact CG-CB 4.06Å; R296-I324 HydrophobicContact CG-CD1 4.45Å; R296-I324 HydrophobicContact CG-CG2 4.24Å; A299-I324 HydrophobicContact CB-CG2 3.93Å; E300-I324 HydrophobicContact CG-CD1 4.46Å; L322-I324 HydrophobicContact CD1-CG2 3.8Å; L322-I324 HydrophobicContact CD2-CD1 3.75Å; L322-I324 HydrophobicContact CD2-CG1 4.12Å; L322-I324 HydrophobicContact CG-CD1 4.22Å; L322-I324 HydrophobicContact CG-CG1 4.07Å; L322-I324 HydrophobicContact CG-CG2 3.96Å; I324-V327 HydrophobicContact CD1-CG2 4.09Å; I324-V327 HydrophobicContact CG1-CG2 3.93Å; I324-Q332 PolarHBondContact O-NE2 2.9Å; I324-T346 HydrophobicContact CG2-CG2 3.94Å; I324-R349 PolarHBondContact O-NE 3.3Å; I324-R349 PolarHBondContact O-NH2 2.94Å; I324-R349 VanDerWaalsContact O-NH2 3.08Å
325G85.7Confident90.5Very high12 Ų1255 Ų5512%0.12430%0.302CS..THydrogen-bonded Turntrans-65.2158168.500000112.5R296 V327R296-G325 WeakPolarHBondContact CD-O 3.49Å; R296-G325 PolarHBondContact NE-O 3.2Å; R296-G325 PolarHBondContact NH1-O 3.05Å; G325-V327 VanDerWaalsContact C-N 3.25Å; G325-V327 PolarHBondContact O-N 3.36Å
326G81.9Confident90.6Very high63 Ų6350.2 Ų50.265%0.64928%0.276SS*.THydrogen-bonded Turntrans82.2-13.1175.400000116
327V84Confident90.5Very high59 Ų5956 Ų5636%0.35830%0.301SS..SBendtrans-90144.2165.4179.80000109I324 G325 A329 D331 Q332 R349I324-V327 HydrophobicContact CD1-CG2 4.09Å; I324-V327 HydrophobicContact CG1-CG2 3.93Å; G325-V327 VanDerWaalsContact C-N 3.25Å; G325-V327 PolarHBondContact O-N 3.36Å; V327-A329 PolarHBondContact O-N 3.2Å; V327-D331 HydrophobicContact CG1-CB 4.46Å; V327-Q332 HydrophobicContact CG1-CG 4.38Å; V327-R349 PolarHBondContact O-NH2 2.82Å
328A82.8Confident90.4Very high55 Ų5554.8 Ų54.846%0.45530%0.302SS..  trans-59.2129.6178.500000110R330 D331A328-R330 PolarHBondContact O-N 2.97Å; A328-R330 VanDerWaalsContact O-N 3.17Å; A328-D331 PolarHBondContact O-N 2.87Å; A328-D331 VanDerWaalsContact O-N 3.09Å
329A83.6Confident90.2Very high41 Ų4154.8 Ų54.834%0.33930%0.302SS..Hα-helixtrans-56.4-36-17900000111.6V327 D331 Q332 L333V327-A329 PolarHBondContact O-N 3.2Å; A329-D331 VanDerWaalsContact C-N 3.26Å; A329-D331 PolarHBondContact O-N 3.48Å; A329-Q332 PolarHBondContact O-N 3.01Å; A329-L333 WeakPolarHBondContact O-CB 3.46Å; A329-L333 VanDerWaalsContact O-CG 3.23Å; A329-L333 WeakPolarHBondContact O-CG 3.5Å; A329-L333 PolarHBondContact O-N 3.01Å
330R88.7Confident90.2Very high212 Ų21250 Ų5080%0.828%0.284SS*.Hα-helixtrans-57-36.9179.1-168.6177.4-176.61760.5113.2A328 L333 S334A328-R330 PolarHBondContact O-N 2.97Å; A328-R330 VanDerWaalsContact O-N 3.17Å; R330-L333 PolarHBondContact O-N 3.08Å; R330-S334 WeakPolarHBondContact O-CB 3.49Å; R330-S334 PolarHBondContact O-N 3.16Å; R330-S334 PolarHBondContact O-OG 2.54Å
331D89.3Confident90.2Very high95 Ų9548.1 Ų48.151%0.50828%0.275SS..Hα-helixtrans-73.8-34.1-178.7-58.7-18.9000111.5V327 A328 A329 S334 V335V327-D331 HydrophobicContact CG1-CB 4.46Å; A328-D331 PolarHBondContact O-N 2.87Å; A328-D331 VanDerWaalsContact O-N 3.09Å; A329-D331 VanDerWaalsContact C-N 3.26Å; A329-D331 PolarHBondContact O-N 3.48Å; D331-S334 PolarHBondContact O-OG 2.78Å; D331-V335 WeakPolarHBondContact O-CG2 3.29Å
332Q89.9Confident90.2Very high5 Ų547.5 Ų47.52%0.02327%0.272CS..Hα-helixtrans-73.2-40.5174.1-67.5172.6-2.800111I324 V327 A329 V335 L336I324-Q332 PolarHBondContact O-NE2 2.9Å; V327-Q332 HydrophobicContact CG1-CG 4.38Å; A329-Q332 PolarHBondContact O-N 3.01Å; Q332-V335 PolarHBondContact O-N 2.67Å; Q332-L336 WeakPolarHBondContact O-CG 3.34Å; Q332-L336 PolarHBondContact O-N 3.09Å; Q332-L336 VanDerWaalsContact O-N 3.1Å
333L90.5Very high90.3Very high42 Ų4246 Ų4622%0.2227%0.265CS..Hα-helixtrans-65.3-39.9179.1-69.9173.5000112.5A329 R330 V335 L336 E337 L353 K358A329-L333 WeakPolarHBondContact O-CB 3.46Å; A329-L333 VanDerWaalsContact O-CG 3.23Å; A329-L333 WeakPolarHBondContact O-CG 3.5Å; A329-L333 PolarHBondContact O-N 3.01Å; R330-L333 PolarHBondContact O-N 3.08Å; L333-V335 VanDerWaalsContact C-N 3.28Å; L333-V335 PolarHBondContact O-N 3.32Å; L333-L336 HydrophobicContact CD2-CD1 4.27Å; L333-L336 WeakPolarHBondContact O-CB 3.37Å; L333-L336 PolarHBondContact O-N 3.38Å; L333-E337 WeakPolarHBondContact O-CG 3.36Å; L333-E337 PolarHBondContact O-N 2.92Å; L333-L353 HydrophobicContact CD2-CD2 4.14Å; L333-K358 HydrophobicContact CD2-CB 3.7Å; L333-K358 HydrophobicContact CD2-CD 3.91Å; L333-K358 HydrophobicContact CD2-CG 3.78Å
334S90.6Very high90.4Very high48 Ų4846 Ų4634%0.33627%0.265SS..Hα-helixtrans-64.3-32.6177.765.80000112.5R330 D331 N338R330-S334 WeakPolarHBondContact O-CB 3.49Å; R330-S334 PolarHBondContact O-N 3.16Å; R330-S334 PolarHBondContact O-OG 2.54Å; D331-S334 PolarHBondContact O-OG 2.78Å; S334-N338 PolarHBondContact O-N 3.49Å; S334-N338 PolarHBondContact O-ND2 2.7Å
335V90.3Very high90.5Very high54 Ų5446 Ų4633%0.32726%0.264SS..Hα-helixtrans-71.8-41.9173.2-179.50000110.9L321 D331 Q332 L333 E337 N338 G339L321-V335 HydrophobicContact CB-CG1 4.31Å; L321-V335 HydrophobicContact CD1-CB 3.85Å; L321-V335 HydrophobicContact CD1-CG1 3.85Å; L321-V335 HydrophobicContact CD1-CG2 4.22Å; L321-V335 HydrophobicContact CD2-CB 4.31Å; L321-V335 HydrophobicContact CD2-CG1 4.28Å; L321-V335 HydrophobicContact CG-CG1 4.36Å; D331-V335 WeakPolarHBondContact O-CG2 3.29Å; Q332-V335 PolarHBondContact O-N 2.67Å; L333-V335 VanDerWaalsContact C-N 3.28Å; L333-V335 PolarHBondContact O-N 3.32Å; V335-E337 VanDerWaalsContact C-N 3.28Å; V335-E337 PolarHBondContact O-N 3.22Å; V335-N338 PolarHBondContact O-N 3.12Å; V335-G339 PolarHBondContact O-N 3.17Å
336L91.8Very high91Very high4 Ų446 Ų462%0.02126%0.262CS..Hα-helixtrans-59.3-37.6175.4-72.7171.6000112.6P284 N285 L321 Q332 L333 N338 G339 V340 L353 L359P284-L336 CarbonylContact C-O 3.59Å; P284-L336 VanDerWaalsContact C-O 3.28Å; N285-L336 HydrophobicContact CB-CB 4.2Å; N285-L336 HydrophobicContact CB-CD2 4.4Å; N285-L336 PolarHBondContact N-O 3.35Å; L321-L336 HydrophobicContact CD2-CD1 4.38Å; L321-L336 HydrophobicContact CD2-CD2 3.61Å; L321-L336 HydrophobicContact CD2-CG 3.58Å; Q332-L336 WeakPolarHBondContact O-CG 3.34Å; Q332-L336 PolarHBondContact O-N 3.09Å; Q332-L336 VanDerWaalsContact O-N 3.1Å; L333-L336 HydrophobicContact CD2-CD1 4.27Å; L333-L336 WeakPolarHBondContact O-CB 3.37Å; L333-L336 PolarHBondContact O-N 3.38Å; L336-N338 PolarHBondContact O-N 2.85Å; L336-G339 PolarHBondContact O-N 3.39Å; L336-V340 HydrophobicContact CD2-CB 4.48Å; L336-V340 HydrophobicContact CD2-CG1 3.64Å; L336-L353 HydrophobicContact CD1-CD1 4.18Å; L336-L359 HydrophobicContact CD2-CD1 3.91Å
337E88.7Confident91.6Very high144 Ų14443.1 Ų43.167%0.67323%0.232SC*.Hα-helixtrans-63.8-30.2175.9-74168.6-174.100112.6L333 V335L333-E337 WeakPolarHBondContact O-CG 3.36Å; L333-E337 PolarHBondContact O-N 2.92Å; V335-E337 VanDerWaalsContact C-N 3.28Å; V335-E337 PolarHBondContact O-N 3.22Å
338N89.5Confident91.9Very high122 Ų12242.9 Ų42.965%0.65224%0.241SC*.Hα-helixtrans-87.8-8.8-179.1-73.6-53.4000114.3R319 S334 V335 L336R319-N338 PolarHBondContact NH1-O 3.33Å; S334-N338 PolarHBondContact O-N 3.49Å; S334-N338 PolarHBondContact O-ND2 2.7Å; V335-N338 PolarHBondContact O-N 3.12Å; L336-N338 PolarHBondContact O-N 2.85Å
339G91.1Very high92.4Very high2 Ų241.9 Ų41.92%0.02123%0.226CC..  trans107.3131.2-17800000113.6P284 R319 V335 L336P284-G339 CarbonylContact O-C 3.59Å; P284-G339 WeakPolarHBondContact O-CA 3.42Å; R319-G339 WeakPolarHBondContact CD-O 3.44Å; V335-G339 PolarHBondContact O-N 3.17Å; L336-G339 PolarHBondContact O-N 3.39Å
340V95.4Very high93Very high3 Ų339.9 Ų39.92%0.01821%0.209CC..  trans-134.2141.5172.966.30000111.1P284 P287 L321 L336 I342 V343P284-V340 PolarHBondContact O-N 2.93Å; P287-V340 HydrophobicContact CB-CG1 4.17Å; L321-V340 HydrophobicContact CB-CG2 3.65Å; L336-V340 HydrophobicContact CD2-CB 4.48Å; L336-V340 HydrophobicContact CD2-CG1 3.64Å; V340-I342 WeakPolarHBondContact CG2-O 3.41Å; V340-V343 HydrophobicContact CG1-CG2 4.11Å; V340-V343 HydrophobicContact CG2-CG2 3.79Å
341D96.1Very high93.2Very high3 Ų332.1 Ų32.12%0.01618%0.184CC..SBendtrans-109.2-38.3179-52.9-59.8000111.8V64 L68 K288 A289 L318 R319V64-D341 HydrophobicContact CG1-CB 3.91Å; L68-D341 HydrophobicContact CD1-CB 4.07Å; L68-D341 VanDerWaalsContact CD1-CG 3.47Å; L68-D341 WeakPolarHBondContact CD1-OD1 3.47Å; L68-D341 WeakPolarHBondContact CD2-OD1 3.2Å; K288-D341 PolarHBondContact N-O 2.9Å; A289-D341 PolarHBondContact N-O 2.91Å; A289-D341 VanDerWaalsContact N-O 3.15Å; L318-D341 HydrophobicContact CD2-CB 4.22Å; R319-D341 WeakPolarHBondContact CB-OD2 3.49Å; R319-D341 PolarHBondContact N-OD2 2.86Å; R319-D341 IonicContact NE-OD2 3.34Å; R319-D341 WeakPolarHBondContact O-CA 3.47Å; R319-D341 WeakPolarHBondContact O-CB 3.21Å; R319-D341 PolarHBondContact O-N 2.86Å
342I98.1Very high93.3Very high1 Ų131.1 Ų31.11%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-126.1125.4179-55.2-179.5000109.7I61 V64 A289 I291 I306 R319 E320 L321 V340I61-I342 HydrophobicContact CG1-CD1 3.95Å; V64-I342 HydrophobicContact CG1-CD1 4.42Å; V64-I342 HydrophobicContact CG1-CG1 4.06Å; V64-I342 HydrophobicContact CG2-CG1 4.4Å; A289-I342 HydrophobicContact CB-CG1 4.23Å; A289-I342 HydrophobicContact CB-CG2 4.22Å; I291-I342 HydrophobicContact CD1-CG2 3.98Å; I306-I342 HydrophobicContact CD1-CG2 4.19Å; I306-I342 HydrophobicContact CG2-CD1 4.46Å; R319-I342 PolarHBondContact O-N 2.87Å; E320-I342 CarbonylContact C-O 3.44Å; E320-I342 WeakPolarHBondContact CA-O 3.3Å; E320-I342 HydrophobicContact CB-CB 4.46Å; L321-I342 PolarHBondContact N-O 2.93Å; V340-I342 WeakPolarHBondContact CG2-O 3.41Å
343V98.3Very high93.4Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-109.7130.1173.4166.10000109.5P287 A289 L290 I291 L321 I323 V340 L350 L359P287-V343 HydrophobicContact CB-CB 4.35Å; P287-V343 HydrophobicContact CB-CG2 3.84Å; P287-V343 HydrophobicContact CG-CB 4.23Å; P287-V343 HydrophobicContact CG-CG2 3.75Å; A289-V343 PolarHBondContact O-N 3.4Å; L290-V343 HydrophobicContact CD1-CB 4.07Å; L290-V343 HydrophobicContact CD1-CG1 3.65Å; I291-V343 PolarHBondContact N-O 3.42Å; L321-V343 HydrophobicContact CB-CG2 4.48Å; L321-V343 WeakPolarHBondContact O-CA 3.29Å; I323-V343 HydrophobicContact CB-CG1 4.31Å; I323-V343 HydrophobicContact CD1-CB 4.48Å; I323-V343 HydrophobicContact CD1-CG1 3.52Å; I323-V343 HydrophobicContact CD1-CG2 4.04Å; I323-V343 HydrophobicContact CG1-CG1 3.91Å; V340-V343 HydrophobicContact CG1-CG2 4.11Å; V340-V343 HydrophobicContact CG2-CG2 3.79Å; V343-L350 HydrophobicContact CG1-CD2 3.83Å; V343-L359 HydrophobicContact CG1-CD2 4.48Å; V343-L359 HydrophobicContact CG2-CD1 4.14Å
344V98.5Very high93.5Very high0 Ų029.9 Ų29.90%017%0.172CC..EExtended strand (participates in β ladder)trans-113.3131.2166.3-172.30000107.6I291 E293 A299 T302 L303 I306 L321 L322 I323I291-V344 HydrophobicContact CB-CG1 4.41Å; I291-V344 HydrophobicContact CB-CG2 4.23Å; I291-V344 HydrophobicContact CD1-CG2 4Å; I291-V344 HydrophobicContact CG2-CG1 4.31Å; I291-V344 CarbonylContact O-C 3.57Å; I291-V344 WeakPolarHBondContact O-CA 3.29Å; E293-V344 HydrophobicContact CG-CG1 4.03Å; A299-V344 HydrophobicContact CB-CG1 4.01Å; A299-V344 WeakPolarHBondContact O-CG1 3.38Å; T302-V344 HydrophobicContact CG2-CG1 3.99Å; T302-V344 HydrophobicContact CG2-CG2 4.24Å; L303-V344 HydrophobicContact CB-CB 4.48Å; L303-V344 HydrophobicContact CB-CG2 4.35Å; L303-V344 HydrophobicContact CD1-CB 4.05Å; L303-V344 HydrophobicContact CD1-CG2 3.77Å; I306-V344 HydrophobicContact CD1-CG2 3.51Å; L321-V344 PolarHBondContact O-N 3.13Å; L322-V344 CarbonylContact C-O 3.57Å; L322-V344 VanDerWaalsContact CA-O 3.32Å; L322-V344 WeakPolarHBondContact CA-O 3.36Å; L322-V344 HydrophobicContact CD1-CB 4.49Å; I323-V344 PolarHBondContact N-O 3.42Å
345G96.8Very high93.4Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-164.4168.7-177.500000116.3I291 V292 E293 I323I291-G345 PolarHBondContact O-N 3.32Å; V292-G345 WeakPolarHBondContact CA-O 3.34Å; E293-G345 PolarHBondContact N-O 3.21Å; I323-G345 CarbonylContact O-C 3.55Å; I323-G345 WeakPolarHBondContact O-CA 3.45Å
346T95.2Very high93.4Very high13 Ų1332.9 Ų32.98%0.0819%0.193CC..  trans-97.4143.2176.154.70000111.2S295 R296 A299 I323 I324 G348 R349 L350S295-T346 VanDerWaalsContact C-CG2 3.44Å; S295-T346 WeakPolarHBondContact O-CG2 3.41Å; R296-T346 HydrophobicContact CG-CG2 4.01Å; A299-T346 HydrophobicContact CB-CG2 4.37Å; I323-T346 PolarHBondContact O-N 3.39Å; I324-T346 HydrophobicContact CG2-CG2 3.94Å; T346-G348 PolarHBondContact O-N 2.92Å; T346-G348 VanDerWaalsContact O-N 3.15Å; T346-R349 PolarHBondContact O-N 2.97Å; T346-R349 VanDerWaalsContact O-N 3.15Å; T346-L350 WeakPolarHBondContact O-CG 3.46Å; T346-L350 PolarHBondContact O-N 3.01Å; T346-L350 VanDerWaalsContact O-N 3.15Å
347P94.9Very high93.3Very high2 Ų235.1 Ų35.11%0.01322%0.217CC..Hα-helixtrans-45.3-50.6-174.9-35.137000115.4V292 E293 R349 L350 D351 L375 Y380 F383V292-P347 HydrophobicContact CG1-CG 3.96Å; E293-P347 VanDerWaalsContact O-CD 3.23Å; E293-P347 WeakPolarHBondContact O-CD 3.23Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 3.13Å; P347-L350 PolarHBondContact O-N 3.31Å; P347-D351 WeakPolarHBondContact O-CB 3.17Å; P347-D351 PolarHBondContact O-N 3.5Å; P347-L375 HydrophobicContact CG-CD2 3.67Å; P347-Y380 HydrophobicContact CB-CD1 3.48Å; P347-Y380 VanDerWaalsContact CB-CD1 3.48Å; P347-Y380 HydrophobicContact CB-CD2 4.18Å; P347-Y380 HydrophobicContact CB-CE1 3.62Å; P347-Y380 HydrophobicContact CB-CE2 4.28Å; P347-Y380 HydrophobicContact CB-CG 3.79Å; P347-Y380 HydrophobicContact CG-CD1 3.97Å; P347-Y380 HydrophobicContact CG-CD2 3.74Å; P347-Y380 HydrophobicContact CG-CE1 4.22Å; P347-Y380 HydrophobicContact CG-CE2 3.98Å; P347-Y380 HydrophobicContact CG-CG 3.73Å; P347-F383 HydrophobicContact CB-CD1 3.59Å; P347-F383 HydrophobicContact CB-CD2 4.36Å; P347-F383 HydrophobicContact CB-CE1 3.64Å; P347-F383 HydrophobicContact CB-CE2 4.39Å; P347-F383 HydrophobicContact CB-CG 3.96Å; P347-F383 HydrophobicContact CB-CZ 4.05Å; P347-F383 HydrophobicContact CG-CD1 3.95Å; P347-F383 HydrophobicContact CG-CE1 3.83Å; P347-F383 WeakPolarHBondContact O-CE2 3.49Å
348G90.8Very high93.4Very high54 Ų5433.2 Ų33.256%0.55721%0.206SC*.Hα-helixtrans-60.5-35.2-174.300000114.6T346T346-G348 PolarHBondContact O-N 2.92Å; T346-G348 VanDerWaalsContact O-N 3.15Å
349R92.2Very high93.7Very high34 Ų3427.6 Ų27.613%0.12818%0.176CC..Hα-helixtrans-84-36.1176.5-176.665.171.1134.225.2112I323 I324 V327 T346 P347 D351 D352 L353I323-R349 HydrophobicContact CG2-CB 3.92Å; I323-R349 HydrophobicContact CG2-CG 3.31Å; I324-R349 PolarHBondContact O-NE 3.3Å; I324-R349 PolarHBondContact O-NH2 2.94Å; I324-R349 VanDerWaalsContact O-NH2 3.08Å; V327-R349 PolarHBondContact O-NH2 2.82Å; T346-R349 PolarHBondContact O-N 2.97Å; T346-R349 VanDerWaalsContact O-N 3.15Å; P347-R349 VanDerWaalsContact C-N 3.32Å; P347-R349 PolarHBondContact O-N 3.13Å; R349-D351 VanDerWaalsContact C-N 3.35Å; R349-D352 PolarHBondContact O-N 3.12Å; R349-L353 HydrophobicContact CG-CD1 4.34Å; R349-L353 HydrophobicContact CG-CG 4.45Å; R349-L353 PolarHBondContact O-N 3.47Å; R349-L353 VanDerWaalsContact O-N 3.11Å
350L96.3Very high93.8Very high0 Ų030 Ų300%019%0.188CC..Hα-helixtrans-59.6-47.2176-71.6171.5000110.7L290 V292 I323 V343 T346 P347 D352 L353 V354 L359 F383L290-L350 HydrophobicContact CD1-CD1 4.2Å; L290-L350 HydrophobicContact CD1-CD2 3.81Å; V292-L350 HydrophobicContact CG1-CD1 4.41Å; V292-L350 HydrophobicContact CG2-CD1 4.07Å; I323-L350 HydrophobicContact CB-CD2 3.96Å; I323-L350 HydrophobicContact CD1-CD2 4.23Å; I323-L350 HydrophobicContact CG2-CD2 3.82Å; I323-L350 HydrophobicContact CG2-CG 4.27Å; V343-L350 HydrophobicContact CG1-CD2 3.83Å; T346-L350 WeakPolarHBondContact O-CG 3.46Å; T346-L350 PolarHBondContact O-N 3.01Å; T346-L350 VanDerWaalsContact O-N 3.15Å; P347-L350 PolarHBondContact O-N 3.31Å; L350-D352 VanDerWaalsContact C-N 3.34Å; L350-D352 PolarHBondContact O-N 3.3Å; L350-L353 PolarHBondContact O-N 3.12Å; L350-V354 WeakPolarHBondContact O-CB 3.08Å; L350-V354 VanDerWaalsContact O-CG2 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.19Å; L350-V354 PolarHBondContact O-N 3.11Å; L350-L359 HydrophobicContact CD2-CD2 3.86Å; L350-F383 HydrophobicContact CB-CE2 4.04Å; L350-F383 HydrophobicContact CB-CZ 3.78Å; L350-F383 HydrophobicContact CD1-CZ 4.1Å
351D93.2Very high93.6Very high49 Ų4930.1 Ų30.126%0.26219%0.189SC..Hα-helixtrans-59.9-42-180-156.133.7000111.8P347 R349 S355 F383 R386P347-D351 WeakPolarHBondContact O-CB 3.17Å; P347-D351 PolarHBondContact O-N 3.5Å; R349-D351 VanDerWaalsContact C-N 3.35Å; D351-S355 WeakPolarHBondContact O-CB 3.12Å; D351-S355 PolarHBondContact O-N 3.13Å; D351-S355 PolarHBondContact O-OG 2.82Å; D351-F383 HydrophobicContact CB-CD2 3.72Å; D351-F383 HydrophobicContact CB-CE2 3.77Å; D351-R386 IonicContact OD1-CZ 3.57Å; D351-R386 IonicContact OD1-NE 3.44Å; D351-R386 IonicContact OD1-NH2 3.3Å; D351-R386 PolarHBondContact OD1-NH2 3.22Å; D351-R386 IonicContact OD2-CZ 3.88Å; D351-R386 IonicContact OD2-NH2 3.84Å; D351-R386 PolarHBondContact OD2-NH2 2.96Å
352D90.7Very high93.3Very high74 Ų7432.2 Ų32.240%0.39620%0.204SC..Hα-helixtrans-61.2-51.5175.3176.743.7000112.1R349 L350 V354 S355 T356R349-D352 PolarHBondContact O-N 3.12Å; L350-D352 VanDerWaalsContact C-N 3.34Å; L350-D352 PolarHBondContact O-N 3.3Å; D352-V354 VanDerWaalsContact C-N 3.32Å; D352-V354 PolarHBondContact O-N 2.84Å; D352-S355 PolarHBondContact O-N 3.38Å; D352-S355 PolarHBondContact O-OG 2.95Å; D352-S355 VanDerWaalsContact O-OG 3.05Å; D352-T356 WeakPolarHBondContact O-CB 3.18Å; D352-T356 VanDerWaalsContact O-CG2 3.28Å; D352-T356 WeakPolarHBondContact O-CG2 3.29Å; D352-T356 PolarHBondContact O-N 3.04Å; D352-T356 PolarHBondContact O-OG1 3.26Å
353L91.9Very high92.8Very high5 Ų533.3 Ų33.33%0.02621%0.209CC..Hα-helixtrans-69-31.7-178.2-65-175.4000112.9I323 L333 L336 R349 L350 T356 G357 K358 L359I323-L353 HydrophobicContact CD1-CD1 3.96Å; I323-L353 HydrophobicContact CG1-CD1 4.39Å; I323-L353 HydrophobicContact CG2-CD1 3.6Å; L333-L353 HydrophobicContact CD2-CD2 4.14Å; L336-L353 HydrophobicContact CD1-CD1 4.18Å; R349-L353 HydrophobicContact CG-CD1 4.34Å; R349-L353 HydrophobicContact CG-CG 4.45Å; R349-L353 PolarHBondContact O-N 3.47Å; R349-L353 VanDerWaalsContact O-N 3.11Å; L350-L353 PolarHBondContact O-N 3.12Å; L353-T356 PolarHBondContact O-OG1 3.22Å; L353-G357 PolarHBondContact O-N 3.25Å; L353-K358 HydrophobicContact CB-CB 4.36Å; L353-K358 HydrophobicContact CD2-CB 4.07Å; L353-K358 CarbonylContact O-C 3.54Å; L353-K358 WeakPolarHBondContact O-CA 3.45Å; L353-K358 PolarHBondContact O-N 2.91Å; L353-L359 HydrophobicContact CB-CB 3.86Å; L353-L359 PolarHBondContact O-N 3.01Å
354V93.1Very high92.6Very high15 Ų1533.3 Ų33.39%0.09121%0.209CC..Hα-helixtrans-73.9-48.7176.51720000111L350 D352 T356 G357 L359 L361 M387L350-V354 WeakPolarHBondContact O-CB 3.08Å; L350-V354 VanDerWaalsContact O-CG2 3.23Å; L350-V354 WeakPolarHBondContact O-CG2 3.19Å; L350-V354 PolarHBondContact O-N 3.11Å; D352-V354 VanDerWaalsContact C-N 3.32Å; D352-V354 PolarHBondContact O-N 2.84Å; V354-T356 PolarHBondContact O-N 3.34Å; V354-G357 PolarHBondContact O-N 2.59Å; V354-L359 HydrophobicContact CG2-CB 4.02Å; V354-L359 HydrophobicContact CG2-CD2 3.84Å; V354-L359 HydrophobicContact CG2-CG 4.11Å; V354-L361 HydrophobicContact CG1-CD1 3.88Å; V354-L361 HydrophobicContact CG1-CG 4.3Å; V354-L361 HydrophobicContact CG2-CD1 4.14Å; V354-L361 HydrophobicContact CG2-CD2 4.04Å; V354-L361 HydrophobicContact CG2-CG 4.14Å; V354-M387 HydrophobicContact CB-SD 4.2Å; V354-M387 HydrophobicContact CG1-SD 4.07Å; V354-M387 HydrophobicContact CG2-CE 3.94Å; V354-M387 HydrophobicContact CG2-SD 3.87Å
355S88.8Confident92.2Very high87 Ų8734.4 Ų34.461%0.60821%0.213SC*.Hα-helixtrans-62.3-3117961.30000113.2D351 D352 G357D351-S355 WeakPolarHBondContact O-CB 3.12Å; D351-S355 PolarHBondContact O-N 3.13Å; D351-S355 PolarHBondContact O-OG 2.82Å; D352-S355 PolarHBondContact O-N 3.38Å; D352-S355 PolarHBondContact O-OG 2.95Å; D352-S355 VanDerWaalsContact O-OG 3.05Å; S355-G357 VanDerWaalsContact C-N 3.3Å
356T90.1Very high92.1Very high78 Ų7834.7 Ų34.748%0.47921%0.214SC..THydrogen-bonded Turntrans-84.50.5174.557.90000113.9D352 L353 V354 K358D352-T356 WeakPolarHBondContact O-CB 3.18Å; D352-T356 VanDerWaalsContact O-CG2 3.28Å; D352-T356 WeakPolarHBondContact O-CG2 3.29Å; D352-T356 PolarHBondContact O-N 3.04Å; D352-T356 PolarHBondContact O-OG1 3.26Å; L353-T356 PolarHBondContact O-OG1 3.22Å; V354-T356 PolarHBondContact O-N 3.34Å; T356-K358 PolarHBondContact O-N 3.16Å; T356-K358 WeakPolarHBondContact OG1-CG 3.3Å
357G88.8Confident92.3Very high51 Ų5134.1 Ų34.153%0.52621%0.211SC..THydrogen-bonded Turntrans69.711.1-179.100000114.5L353 V354 S355L353-G357 PolarHBondContact O-N 3.25Å; V354-G357 PolarHBondContact O-N 2.59Å; S355-G357 VanDerWaalsContact C-N 3.3Å
358K92.1Very high92.4Very high105 Ų10534 Ų3446%0.45721%0.21SC..SBendtrans-77-33.1178.8-63.6-59.9-174.1-179.10112.3N285 L333 L353 T356N285-K358 WeakPolarHBondContact CB-O 3.29Å; N285-K358 PolarHBondContact ND2-O 2.72Å; L333-K358 HydrophobicContact CD2-CB 3.7Å; L333-K358 HydrophobicContact CD2-CD 3.91Å; L333-K358 HydrophobicContact CD2-CG 3.78Å; L353-K358 HydrophobicContact CB-CB 4.36Å; L353-K358 HydrophobicContact CD2-CB 4.07Å; L353-K358 CarbonylContact O-C 3.54Å; L353-K358 WeakPolarHBondContact O-CA 3.45Å; L353-K358 PolarHBondContact O-N 2.91Å; T356-K358 PolarHBondContact O-N 3.16Å; T356-K358 WeakPolarHBondContact OG1-CG 3.3Å
359L94.8Very high92.7Very high3 Ų331.5 Ų31.52%0.01618%0.184CC..SBendtrans-108.5121168.6-178.865.4000108.9P287 I323 L336 V343 L350 L353 V354 L361P287-L359 HydrophobicContact CG-CD1 3.98Å; I323-L359 HydrophobicContact CD1-CD1 4.27Å; I323-L359 HydrophobicContact CD1-CD2 3.93Å; L336-L359 HydrophobicContact CD2-CD1 3.91Å; V343-L359 HydrophobicContact CG1-CD2 4.48Å; V343-L359 HydrophobicContact CG2-CD1 4.14Å; L350-L359 HydrophobicContact CD2-CD2 3.86Å; L353-L359 HydrophobicContact CB-CB 3.86Å; L353-L359 PolarHBondContact O-N 3.01Å; V354-L359 HydrophobicContact CG2-CB 4.02Å; V354-L359 HydrophobicContact CG2-CD2 3.84Å; V354-L359 HydrophobicContact CG2-CG 4.11Å; L359-L361 HydrophobicContact CD2-CD2 4.41Å; L359-L361 HydrophobicContact CG-CD2 4.37Å
360N92.9Very high92.8Very high52 Ų5230 Ų3028%0.27818%0.179SC..  trans-102.7126.6-178.4-172.3-17.4000111L283 N285 A286 P287 S362L283-N360 VanDerWaalsContact CD1-ND2 3.26Å; L283-N360 WeakPolarHBondContact CD1-ND2 3.41Å; N285-N360 PolarHBondContact O-N 3Å; A286-N360 VanDerWaalsContact CA-O 3.29Å; A286-N360 WeakPolarHBondContact CA-O 3.1Å; A286-N360 HydrophobicContact CB-CB 4.12Å; P287-N360 WeakPolarHBondContact CD-O 3.19Å; N360-S362 PolarHBondContact ND2-OG 3.15Å; N360-S362 WeakPolarHBondContact OD1-CB 3.25Å; N360-S362 PolarHBondContact OD1-N 2.87Å; N360-S362 PolarHBondContact OD1-OG 2.86Å; N360-S362 VanDerWaalsContact OD1-OG 3.07Å
361L92.7Very high92.5Very high6 Ų630.5 Ų30.53%0.03118%0.181CC..  trans-89.8-1-177.6-55.1-179.4000113.8L290 V354 L359 Q363 V364 M387 Q390 I391 P392L290-L361 HydrophobicContact CD2-CD2 4.14Å; V354-L361 HydrophobicContact CG1-CD1 3.88Å; V354-L361 HydrophobicContact CG1-CG 4.3Å; V354-L361 HydrophobicContact CG2-CD1 4.14Å; V354-L361 HydrophobicContact CG2-CD2 4.04Å; V354-L361 HydrophobicContact CG2-CG 4.14Å; L359-L361 HydrophobicContact CD2-CD2 4.41Å; L359-L361 HydrophobicContact CG-CD2 4.37Å; L361-Q363 PolarHBondContact O-N 2.88Å; L361-V364 HydrophobicContact CB-CG2 4.31Å; L361-V364 HydrophobicContact CD2-CG2 4.1Å; L361-V364 WeakPolarHBondContact O-CB 3.46Å; L361-V364 PolarHBondContact O-N 3.34Å; L361-V364 VanDerWaalsContact O-N 3.07Å; L361-M387 HydrophobicContact CD1-CE 3.43Å; L361-M387 VanDerWaalsContact CD1-CE 3.43Å; L361-M387 HydrophobicContact CD1-SD 3.78Å; L361-M387 HydrophobicContact CD2-CE 3.78Å; L361-M387 HydrophobicContact CG-CE 4.24Å; L361-Q390 HydrophobicContact CD1-CB 3.91Å; L361-I391 HydrophobicContact CB-CG1 3.89Å; L361-I391 HydrophobicContact CD1-CG1 4.01Å; L361-I391 HydrophobicContact CG-CG1 4.43Å; L361-P392 WeakPolarHBondContact O-CD 3.44Å
362S88.2Confident92.5Very high47 Ų4728.2 Ų28.233%0.32917%0.169SC..THydrogen-bonded Turntrans-65.4-9-172.471.60000115.5N360N360-S362 PolarHBondContact ND2-OG 3.15Å; N360-S362 WeakPolarHBondContact OD1-CB 3.25Å; N360-S362 PolarHBondContact OD1-N 2.87Å; N360-S362 PolarHBondContact OD1-OG 2.86Å; N360-S362 VanDerWaalsContact OD1-OG 3.07Å
363Q89.3Confident92.3Very high25 Ų2525.4 Ų25.412%0.11715%0.154CC..THydrogen-bonded Turntrans-117.42177.6-60.5-165.2-2.800113.2T280 K281 A286 P287 K288 L361 R365T280-Q363 HydrophobicContact CG2-CG 4.4Å; K281-Q363 PolarHBondContact O-NE2 3.28Å; K281-Q363 VanDerWaalsContact O-NE2 3.16Å; A286-Q363 HydrophobicContact CB-CB 3.92Å; A286-Q363 HydrophobicContact CB-CG 3.74Å; P287-Q363 CarbonylContact O-C 3.59Å; K288-Q363 WeakPolarHBondContact CA-O 3.4Å; L361-Q363 PolarHBondContact O-N 2.88Å; Q363-R365 PolarHBondContact O-N 3.19Å
364V92.7Very high92.1Very high0 Ų025.2 Ų25.20%015%0.153CC..  trans-67.1126.7179.81750000109.3P287 L290 L361 F366 I391 L401P287-V364 HydrophobicContact CG-CG2 4.2Å; P287-V364 WeakPolarHBondContact O-CA 3.43Å; P287-V364 WeakPolarHBondContact O-CG2 3.47Å; P287-V364 PolarHBondContact O-N 2.99Å; L290-V364 HydrophobicContact CB-CG1 4.15Å; L290-V364 HydrophobicContact CB-CG2 4.36Å; L361-V364 HydrophobicContact CB-CG2 4.31Å; L361-V364 HydrophobicContact CD2-CG2 4.1Å; L361-V364 WeakPolarHBondContact O-CB 3.46Å; L361-V364 PolarHBondContact O-N 3.34Å; L361-V364 VanDerWaalsContact O-N 3.07Å; V364-F366 VanDerWaalsContact CG1-O 3.3Å; V364-F366 WeakPolarHBondContact CG1-O 3.11Å; V364-I391 HydrophobicContact CB-CG1 4.21Å; V364-I391 HydrophobicContact CB-CG2 3.9Å; V364-I391 HydrophobicContact CG1-CD1 4.02Å; V364-I391 HydrophobicContact CG1-CG1 4.19Å; V364-I391 HydrophobicContact CG1-CG2 3.93Å; V364-L401 HydrophobicContact CG1-CD1 4.26Å
365R90.4Very high92Very high23 Ų2324.5 Ų24.59%0.08715%0.148CC..  trans-113-23.9176.2-51.5-162.6166.6-159.3-12.4112.6K288 Q363 T395 D397 L401 Q402K288-R365 PolarHBondContact O-N 3.19Å; Q363-R365 PolarHBondContact O-N 3.19Å; R365-T395 HydrophobicContact CB-CG2 4.03Å; R365-T395 HydrophobicContact CG-CG2 3.63Å; R365-D397 IonicContact CZ-OD1 3.81Å; R365-D397 IonicContact CZ-OD2 2.66Å; R365-D397 VanDerWaalsContact CZ-OD2 3.25Å; R365-D397 IonicContact NH1-OD1 3.71Å; R365-D397 PolarHBondContact NH1-OD1 2.93Å; R365-D397 IonicContact NH1-OD2 3.69Å; R365-D397 PolarHBondContact NH1-OD2 3.44Å; R365-D397 IonicContact NH2-OD1 2.65Å; R365-D397 PolarHBondContact NH2-OD1 2.62Å; R365-D397 IonicContact NH2-OD2 3.8Å; R365-D397 PolarHBondContact NH2-OD2 2.96Å; R365-D397 VanDerWaalsContact NH2-OD2 3.09Å; R365-L401 WeakPolarHBondContact O-CD1 3.18Å; R365-Q402 PolarHBondContact O-N 3.27Å
366F95.8Very high92.2Very high5 Ų521.2 Ų21.22%0.02212%0.124CC..EExtended strand (participates in β ladder)trans-122.6121.6178.7-60-86.1000109.6V60 I63 V64 K288 A289 L290 V364 Q402 I404V60-F366 HydrophobicContact CG1-CB 4.4Å; V60-F366 HydrophobicContact CG1-CD2 4.35Å; V60-F366 HydrophobicContact CG1-CG 4.25Å; V60-F366 HydrophobicContact CG2-CB 4.42Å; V60-F366 HydrophobicContact CG2-CD1 3.85Å; V60-F366 HydrophobicContact CG2-CE1 4.31Å; V60-F366 HydrophobicContact CG2-CG 4.14Å; I63-F366 HydrophobicContact CB-CE2 4.06Å; I63-F366 HydrophobicContact CB-CZ 3.62Å; I63-F366 HydrophobicContact CD1-CE1 3.89Å; I63-F366 HydrophobicContact CD1-CZ 3.6Å; I63-F366 HydrophobicContact CG1-CZ 4.22Å; I63-F366 HydrophobicContact CG2-CE2 3.85Å; I63-F366 HydrophobicContact CG2-CZ 3.49Å; I63-F366 VanDerWaalsContact CG2-CZ 3.49Å; V64-F366 HydrophobicContact CG2-CD2 4.12Å; V64-F366 HydrophobicContact CG2-CE2 4.14Å; K288-F366 PolarHBondContact O-N 3.33Å; K288-F366 VanDerWaalsContact O-N 3.16Å; A289-F366 HydrophobicContact CB-CB 3.92Å; A289-F366 HydrophobicContact CB-CD2 4.28Å; A289-F366 HydrophobicContact CB-CG 4.5Å; L290-F366 PolarHBondContact N-O 3.43Å; V364-F366 VanDerWaalsContact CG1-O 3.3Å; V364-F366 WeakPolarHBondContact CG1-O 3.11Å; F366-Q402 WeakPolarHBondContact CA-O 3.17Å; F366-Q402 HydrophobicContact CD1-CB 4.06Å; F366-Q402 HydrophobicContact CD1-CG 4.5Å; F366-Q402 HydrophobicContact CE1-CB 4.24Å; F366-I404 HydrophobicContact CD1-CD1 4.44Å
367L97.7Very high92Very high1 Ų120.7 Ų20.71%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-109.1112.4165176.762.9000108L290 V292 L369 H388 I391 L401 Q402 V403 I404L290-L367 HydrophobicContact CD2-CD1 4Å; L290-L367 HydrophobicContact CG-CD1 4.3Å; L290-L367 WeakPolarHBondContact O-CA 3.43Å; V292-L367 HydrophobicContact CG2-CD1 4.22Å; L367-L369 HydrophobicContact CD1-CD2 4.07Å; L367-L369 HydrophobicContact CG-CD2 4.22Å; L367-H388 HydrophobicContact CD2-CB 4.44Å; L367-I391 HydrophobicContact CB-CD1 4.3Å; L367-I391 HydrophobicContact CD1-CD1 4.11Å; L367-I391 HydrophobicContact CD2-CD1 4.13Å; L367-I391 HydrophobicContact CG-CD1 4.42Å; L367-L401 HydrophobicContact CB-CD1 4.16Å; L367-Q402 PolarHBondContact N-O 2.92Å; L367-V403 HydrophobicContact CB-CG2 4.48Å; L367-V403 WeakPolarHBondContact O-CA 3.37Å; L367-I404 PolarHBondContact O-N 2.96Å
368V98.2Very high91.8Very high0 Ų021.1 Ų21.10%011%0.109CC..EExtended strand (participates in β ladder)trans-106.5126.5175-173.20000108.9F56 V60 L290 I291 V292 I404F56-V368 HydrophobicContact CB-CG1 4.46Å; F56-V368 HydrophobicContact CD1-CG1 4.22Å; F56-V368 HydrophobicContact CD2-CB 4.49Å; F56-V368 HydrophobicContact CD2-CG1 3.74Å; F56-V368 HydrophobicContact CD2-CG2 4.22Å; F56-V368 HydrophobicContact CE1-CG1 4.33Å; F56-V368 HydrophobicContact CE2-CG1 3.93Å; F56-V368 HydrophobicContact CG-CG1 3.91Å; F56-V368 HydrophobicContact CZ-CG1 4.22Å; V60-V368 HydrophobicContact CG2-CG2 4.4Å; L290-V368 PolarHBondContact O-N 3.39Å; I291-V368 WeakPolarHBondContact CA-O 3.5Å; I291-V368 HydrophobicContact CB-CB 4.24Å; I291-V368 HydrophobicContact CG1-CB 3.86Å; I291-V368 HydrophobicContact CG1-CG2 3.92Å; I291-V368 HydrophobicContact CG2-CB 4.15Å; I291-V368 HydrophobicContact CG2-CG1 4.28Å; V292-V368 PolarHBondContact N-O 3.24Å; V368-I404 CarbonylContact C-O 3.57Å; V368-I404 VanDerWaalsContact CA-O 3.29Å; V368-I404 WeakPolarHBondContact CA-O 3.07Å; V368-I404 HydrophobicContact CG1-CB 4.35Å; V368-I404 HydrophobicContact CG1-CG2 4.41Å; V368-I404 HydrophobicContact CG2-CB 4.24Å; V368-I404 HydrophobicContact CG2-CD1 4.09Å
369L97.4Very high91.6Very high1 Ų118.7 Ų18.71%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-109.8100.3170.6-53.9-177.9000107.5V292 L367 A372 L375 I384 I404 V405 C406 L418 I422V292-L369 HydrophobicContact CB-CD2 3.87Å; V292-L369 HydrophobicContact CG1-CD2 4.49Å; V292-L369 HydrophobicContact CG2-CD2 3.97Å; L367-L369 HydrophobicContact CD1-CD2 4.07Å; L367-L369 HydrophobicContact CG-CD2 4.22Å; L369-A372 HydrophobicContact CB-CB 4.36Å; L369-L375 HydrophobicContact CB-CD1 4.18Å; L369-L375 HydrophobicContact CD2-CD1 4.48Å; L369-I384 HydrophobicContact CD1-CD1 4.24Å; L369-I384 HydrophobicContact CD1-CG1 4.44Å; L369-I384 HydrophobicContact CD1-CG2 3.67Å; L369-I384 HydrophobicContact CD2-CG1 4.36Å; L369-I384 HydrophobicContact CD2-CG2 4.36Å; L369-I404 PolarHBondContact N-O 3.26Å; L369-V405 HydrophobicContact CB-CG2 4.34Å; L369-V405 HydrophobicContact CD1-CG2 4.22Å; L369-V405 HydrophobicContact CG-CG2 4.49Å; L369-V405 WeakPolarHBondContact O-CA 3.31Å; L369-C406 PolarHBondContact O-N 3.43Å; L369-L418 HydrophobicContact CD1-CD2 3.86Å; L369-I422 HydrophobicContact CD1-CD1 3.54Å
370D94.3Very high91.5Very high3 Ų321.8 Ų21.82%0.01613%0.126CC..SBendtrans-89.3147.7175.9-160.34.8000110.2F56 V292 E293 P294 A372 C406F56-D370 HydrophobicContact CE1-CB 4.27Å; F56-D370 WeakPolarHBondContact CE1-OD2 3.39Å; F56-D370 HydrophobicContact CZ-CB 4.4Å; V292-D370 PolarHBondContact O-N 2.88Å; E293-D370 WeakPolarHBondContact OE1-CB 3.34Å; P294-D370 WeakPolarHBondContact CD-O 3.41Å; D370-A372 VanDerWaalsContact C-N 3.31Å; D370-A372 PolarHBondContact O-N 2.94Å; D370-C406 WeakPolarHBondContact OD1-CB 3.2Å
371E90.2Very high91.5Very high11 Ų1121.3 Ų21.35%0.05113%0.127CC..SBendtrans46.153.9-173.6-61.7-72.8178.500111.5P294 L298 D373 G374 L375 C406P294-E371 HydrophobicContact CG-CB 3.63Å; L298-E371 HydrophobicContact CD1-CB 4.48Å; L298-E371 HydrophobicContact CD1-CG 4Å; E371-D373 PolarHBondContact O-N 3.13Å; E371-G374 CarbonylContact O-C 3.52Å; E371-G374 WeakPolarHBondContact O-CA 3.5Å; E371-G374 PolarHBondContact O-N 3.46Å; E371-L375 PolarHBondContact O-N 3.49Å; E371-C406 PolarHBondContact N-O 3.38Å; E371-C406 VanDerWaalsContact N-O 3.12Å
372A92.3Very high91.4Very high0 Ų026.3 Ų26.30%015%0.153CC..Hα-helixtrans-64.8-34-168.700000114.1L369 D370 G374 L375 L376 V405 C406L369-A372 HydrophobicContact CB-CB 4.36Å; D370-A372 VanDerWaalsContact C-N 3.31Å; D370-A372 PolarHBondContact O-N 2.94Å; A372-G374 VanDerWaalsContact C-N 3.27Å; A372-G374 PolarHBondContact O-N 2.66Å; A372-L375 WeakPolarHBondContact O-CB 3.28Å; A372-L375 PolarHBondContact O-N 3.3Å; A372-L376 WeakPolarHBondContact O-CB 3.18Å; A372-L376 WeakPolarHBondContact O-CG 3.47Å; A372-L376 PolarHBondContact O-N 3.47Å; A372-V405 HydrophobicContact CB-CG1 3.54Å; A372-C406 WeakPolarHBondContact CB-O 3.22Å; A372-C406 PolarHBondContact N-O 3.34Å
373D87.8Confident91.6Very high16 Ų1624.4 Ų24.49%0.08614%0.139CC..Hα-helixtrans-57-44.2165.542.315.8000110.9E371 L375 L376 T377 S407 A408 T409 V415E371-D373 PolarHBondContact O-N 3.13Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.91Å; D373-L376 PolarHBondContact O-N 3.33Å; D373-T377 WeakPolarHBondContact O-CB 3.3Å; D373-T377 PolarHBondContact O-N 2.79Å; D373-T377 PolarHBondContact O-OG1 3.09Å; D373-T377 VanDerWaalsContact O-OG1 3.12Å; D373-S407 PolarHBondContact OD2-OG 3.44Å; D373-A408 WeakPolarHBondContact OD2-CB 3.44Å; D373-A408 PolarHBondContact OD2-N 3.41Å; D373-T409 WeakPolarHBondContact CB-OG1 3.41Å; D373-T409 PolarHBondContact OD2-N 3.46Å; D373-T409 PolarHBondContact OD2-OG1 2.88Å; D373-V415 HydrophobicContact CB-CG2 4.25Å
374G86.3Confident91.9Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-58.2-39.1173.300000114.6E371 A372 Q378E371-G374 CarbonylContact O-C 3.52Å; E371-G374 WeakPolarHBondContact O-CA 3.5Å; E371-G374 PolarHBondContact O-N 3.46Å; A372-G374 VanDerWaalsContact C-N 3.27Å; A372-G374 PolarHBondContact O-N 2.66Å; G374-Q378 WeakPolarHBondContact O-CG 3.41Å; G374-Q378 PolarHBondContact O-N 3.28Å; G374-Q378 PolarHBondContact O-NE2 3.07Å
375L91.9Very high91.8Very high0 Ų024.4 Ų24.40%014%0.14CC..Hα-helixtrans-68.6-41.7173.8-72.1168.2000111.9V292 P294 P347 L369 E371 A372 D373 Q378 Y380 I384V292-L375 HydrophobicContact CB-CD1 4.45Å; V292-L375 HydrophobicContact CG1-CD1 4Å; V292-L375 HydrophobicContact CG1-CD2 3.94Å; P294-L375 HydrophobicContact CB-CD2 3.9Å; P294-L375 HydrophobicContact CB-CG 4.07Å; P294-L375 HydrophobicContact CG-CG 4.46Å; P347-L375 HydrophobicContact CG-CD2 3.67Å; L369-L375 HydrophobicContact CB-CD1 4.18Å; L369-L375 HydrophobicContact CD2-CD1 4.48Å; E371-L375 PolarHBondContact O-N 3.49Å; A372-L375 WeakPolarHBondContact O-CB 3.28Å; A372-L375 PolarHBondContact O-N 3.3Å; D373-L375 VanDerWaalsContact C-N 3.33Å; D373-L375 PolarHBondContact O-N 2.91Å; L375-Q378 PolarHBondContact O-N 2.78Å; L375-Y380 HydrophobicContact CD2-CD2 4.11Å; L375-Y380 WeakPolarHBondContact O-CB 3.19Å; L375-Y380 WeakPolarHBondContact O-CD2 3.32Å; L375-Y380 PolarHBondContact O-N 2.93Å; L375-Y380 VanDerWaalsContact O-N 3.11Å; L375-I384 HydrophobicContact CB-CD1 4.2Å; L375-I384 HydrophobicContact CD1-CD1 4.48Å
376L92.1Very high91.7Very high18 Ų1828.5 Ų28.59%0.09416%0.155CC..Hα-helixtrans-70.8-46.4-177.8-68.9168.4000112A372 D373 Q378 G379 S381 D414 V415 L418A372-L376 WeakPolarHBondContact O-CB 3.18Å; A372-L376 WeakPolarHBondContact O-CG 3.47Å; A372-L376 PolarHBondContact O-N 3.47Å; D373-L376 PolarHBondContact O-N 3.33Å; L376-Q378 PolarHBondContact O-N 2.88Å; L376-G379 WeakPolarHBondContact O-CA 3.41Å; L376-G379 PolarHBondContact O-N 2.81Å; L376-S381 WeakPolarHBondContact CD2-OG 3.38Å; L376-D414 HydrophobicContact CB-CB 4.5Å; L376-D414 HydrophobicContact CD1-CB 3.94Å; L376-V415 HydrophobicContact CD1-CB 4.48Å; L376-V415 HydrophobicContact CD1-CG2 3.78Å; L376-L418 HydrophobicContact CD1-CB 4.35Å; L376-L418 HydrophobicContact CD1-CD2 4.07Å; L376-L418 HydrophobicContact CD2-CD2 4.23Å; L376-L418 HydrophobicContact CG-CD2 4.37Å
377T85.4Confident91.5Very high68 Ų6828.4 Ų28.442%0.41716%0.155SC..Hα-helixtrans-57.1-33.3174.8-61.10000111.9D373 G379 E595D373-T377 WeakPolarHBondContact O-CB 3.3Å; D373-T377 PolarHBondContact O-N 2.79Å; D373-T377 PolarHBondContact O-OG1 3.09Å; D373-T377 VanDerWaalsContact O-OG1 3.12Å; T377-G379 PolarHBondContact O-N 3.09Å; T377-E595 VanDerWaalsContact CG2-OE1 3.23Å; T377-E595 WeakPolarHBondContact CG2-OE1 3.43Å; T377-E595 PolarHBondContact OG1-OE1 2.91Å
378Q85.2Confident91.3Very high59 Ų5928.7 Ų28.728%0.27616%0.156SC..THydrogen-bonded Turntrans-79.1-0.8176.6-72.2-175.258.900114.2P294 G374 L375 L376 Y380P294-Q378 PolarHBondContact O-NE2 2.95Å; G374-Q378 WeakPolarHBondContact O-CG 3.41Å; G374-Q378 PolarHBondContact O-N 3.28Å; G374-Q378 PolarHBondContact O-NE2 3.07Å; L375-Q378 PolarHBondContact O-N 2.78Å; L376-Q378 PolarHBondContact O-N 2.88Å; Q378-Y380 HydrophobicContact CB-CD2 3.61Å; Q378-Y380 HydrophobicContact CB-CE2 3.46Å; Q378-Y380 VanDerWaalsContact CB-CE2 3.46Å; Q378-Y380 HydrophobicContact CG-CE2 4.33Å
379G88.9Confident90.8Very high54 Ų5434 Ų3456%0.55719%0.185SC*.THydrogen-bonded Turntrans80.924.1176.800000114.4L376 T377 S381L376-G379 WeakPolarHBondContact O-CA 3.41Å; L376-G379 PolarHBondContact O-N 2.81Å; T377-G379 PolarHBondContact O-N 3.09Å; G379-S381 VanDerWaalsContact C-N 3.3Å; G379-S381 PolarHBondContact O-N 3Å
380Y92.9Very high90.3Very high68 Ų6838.9 Ų38.927%0.26721%0.207SC..  trans-87.110.9179.8-62.6-60.2000114.6P347 L375 Q378 D382 F383 I384P347-Y380 HydrophobicContact CB-CD1 3.48Å; P347-Y380 VanDerWaalsContact CB-CD1 3.48Å; P347-Y380 HydrophobicContact CB-CD2 4.18Å; P347-Y380 HydrophobicContact CB-CE1 3.62Å; P347-Y380 HydrophobicContact CB-CE2 4.28Å; P347-Y380 HydrophobicContact CB-CG 3.79Å; P347-Y380 HydrophobicContact CG-CD1 3.97Å; P347-Y380 HydrophobicContact CG-CD2 3.74Å; P347-Y380 HydrophobicContact CG-CE1 4.22Å; P347-Y380 HydrophobicContact CG-CE2 3.98Å; P347-Y380 HydrophobicContact CG-CG 3.73Å; L375-Y380 HydrophobicContact CD2-CD2 4.11Å; L375-Y380 WeakPolarHBondContact O-CB 3.19Å; L375-Y380 WeakPolarHBondContact O-CD2 3.32Å; L375-Y380 PolarHBondContact O-N 2.93Å; L375-Y380 VanDerWaalsContact O-N 3.11Å; Q378-Y380 HydrophobicContact CB-CD2 3.61Å; Q378-Y380 HydrophobicContact CB-CE2 3.46Å; Q378-Y380 VanDerWaalsContact CB-CE2 3.46Å; Q378-Y380 HydrophobicContact CG-CE2 4.33Å; Y380-D382 VanDerWaalsContact C-N 3.3Å; Y380-D382 PolarHBondContact O-N 3.37Å; Y380-F383 WeakPolarHBondContact O-CB 3.41Å; Y380-F383 PolarHBondContact O-N 3.07Å; Y380-F383 VanDerWaalsContact O-N 3.09Å; Y380-I384 WeakPolarHBondContact O-CG1 3.41Å; Y380-I384 PolarHBondContact O-N 3.19Å
381S91.1Very high90.2Very high43 Ų4339 Ų3930%0.30121%0.208SC..Hα-helixtrans-54.5-43.7178.5-44.70000112.6L376 G379 I384 N385L376-S381 WeakPolarHBondContact CD2-OG 3.38Å; G379-S381 VanDerWaalsContact C-N 3.3Å; G379-S381 PolarHBondContact O-N 3Å; S381-I384 PolarHBondContact O-N 3.36Å; S381-N385 PolarHBondContact O-N 2.87Å; S381-N385 PolarHBondContact O-ND2 2.76Å
382D90.6Very high89.8Confident111 Ų11140.5 Ų40.559%0.59422%0.219SC*.Hα-helixtrans-68-36.3178.4-73.5-22.6000112.6Y380 N385 R386Y380-D382 VanDerWaalsContact C-N 3.3Å; Y380-D382 PolarHBondContact O-N 3.37Å; D382-N385 PolarHBondContact O-N 3.47Å; D382-R386 WeakPolarHBondContact O-CG 3.46Å; D382-R386 PolarHBondContact O-N 3.15Å
383F93Very high89.3Confident7 Ų741.6 Ų41.63%0.03122%0.224CC..Hα-helixtrans-62.6-49.5174.1161.7-97.3000110.7V292 P347 L350 D351 Y380 N385 R386 M387V292-F383 HydrophobicContact CG1-CE1 3.88Å; P347-F383 HydrophobicContact CB-CD1 3.59Å; P347-F383 HydrophobicContact CB-CD2 4.36Å; P347-F383 HydrophobicContact CB-CE1 3.64Å; P347-F383 HydrophobicContact CB-CE2 4.39Å; P347-F383 HydrophobicContact CB-CG 3.96Å; P347-F383 HydrophobicContact CB-CZ 4.05Å; P347-F383 HydrophobicContact CG-CD1 3.95Å; P347-F383 HydrophobicContact CG-CE1 3.83Å; P347-F383 WeakPolarHBondContact O-CE2 3.49Å; L350-F383 HydrophobicContact CB-CE2 4.04Å; L350-F383 HydrophobicContact CB-CZ 3.78Å; L350-F383 HydrophobicContact CD1-CZ 4.1Å; D351-F383 HydrophobicContact CB-CD2 3.72Å; D351-F383 HydrophobicContact CB-CE2 3.77Å; Y380-F383 WeakPolarHBondContact O-CB 3.41Å; Y380-F383 PolarHBondContact O-N 3.07Å; Y380-F383 VanDerWaalsContact O-N 3.09Å; F383-N385 VanDerWaalsContact C-N 3.28Å; F383-N385 PolarHBondContact O-N 2.86Å; F383-R386 PolarHBondContact O-N 3.24Å; F383-R386 VanDerWaalsContact O-N 3.16Å; F383-M387 HydrophobicContact CD1-CG 4.48Å; F383-M387 HydrophobicContact CD2-CG 3.89Å; F383-M387 HydrophobicContact CE1-CG 4.04Å; F383-M387 HydrophobicContact CE2-CG 3.4Å; F383-M387 HydrophobicContact CE2-SD 3.8Å; F383-M387 HydrophobicContact CG-CG 4.42Å; F383-M387 HydrophobicContact CZ-CE 4.44Å; F383-M387 HydrophobicContact CZ-CG 3.48Å; F383-M387 VanDerWaalsContact CZ-CG 3.48Å; F383-M387 HydrophobicContact CZ-SD 4.11Å; F383-M387 WeakPolarHBondContact O-CG 3.39Å; F383-M387 PolarHBondContact O-N 3.47Å
384I95.8Very high88.5Confident2 Ų243 Ų431%0.0123%0.233CC..Hα-helixtrans-57.5-45.1178.6-65.2162.3000110.3L369 L375 Y380 S381 R386 M387 H388 L418 I422L369-I384 HydrophobicContact CD1-CD1 4.24Å; L369-I384 HydrophobicContact CD1-CG1 4.44Å; L369-I384 HydrophobicContact CD1-CG2 3.67Å; L369-I384 HydrophobicContact CD2-CG1 4.36Å; L369-I384 HydrophobicContact CD2-CG2 4.36Å; L375-I384 HydrophobicContact CB-CD1 4.2Å; L375-I384 HydrophobicContact CD1-CD1 4.48Å; Y380-I384 WeakPolarHBondContact O-CG1 3.41Å; Y380-I384 PolarHBondContact O-N 3.19Å; S381-I384 PolarHBondContact O-N 3.36Å; I384-R386 PolarHBondContact O-N 3.38Å; I384-M387 PolarHBondContact O-N 3.11Å; I384-H388 WeakPolarHBondContact O-CB 3.3Å; I384-H388 PolarHBondContact O-N 2.72Å; I384-L418 HydrophobicContact CD1-CD2 4.36Å; I384-L418 HydrophobicContact CG2-CD1 3.9Å; I384-I422 HydrophobicContact CG2-CD1 4.18Å
385N91Very high87.6Confident23 Ų2343.6 Ų43.612%0.12324%0.237CC..Hα-helixtrans-61.3-44.9177.4-70.6-44.5000112.6S381 D382 F383 N389 K421S381-N385 PolarHBondContact O-N 2.87Å; S381-N385 PolarHBondContact O-ND2 2.76Å; D382-N385 PolarHBondContact O-N 3.47Å; F383-N385 VanDerWaalsContact C-N 3.28Å; F383-N385 PolarHBondContact O-N 2.86Å; N385-N389 WeakPolarHBondContact O-CB 3.23Å; N385-N389 PolarHBondContact O-N 3.36Å; N385-N389 VanDerWaalsContact O-N 3.09Å; N385-N389 PolarHBondContact O-ND2 2.83Å; N385-N389 PolarHBondContact O-OD1 3.2Å; N385-K421 PolarHBondContact ND2-NZ 2.84Å; N385-K421 WeakPolarHBondContact OD1-CD 3.38Å; N385-K421 WeakPolarHBondContact OD1-CE 3.21Å; N385-K421 PolarHBondContact OD1-NZ 3.4Å
386R88.6Confident86Confident108 Ų10846.2 Ų46.241%0.40826%0.255SS..Hα-helixtrans-61.6-45.9177.1-75.8-166.6-57.5-90.69111.6D351 D382 F383 I384 N389 Q390D351-R386 IonicContact OD1-CZ 3.57Å; D351-R386 IonicContact OD1-NE 3.44Å; D351-R386 IonicContact OD1-NH2 3.3Å; D351-R386 PolarHBondContact OD1-NH2 3.22Å; D351-R386 IonicContact OD2-CZ 3.88Å; D351-R386 IonicContact OD2-NH2 3.84Å; D351-R386 PolarHBondContact OD2-NH2 2.96Å; D382-R386 WeakPolarHBondContact O-CG 3.46Å; D382-R386 PolarHBondContact O-N 3.15Å; F383-R386 PolarHBondContact O-N 3.24Å; F383-R386 VanDerWaalsContact O-N 3.16Å; I384-R386 PolarHBondContact O-N 3.38Å; R386-N389 PolarHBondContact O-N 2.86Å; R386-Q390 WeakPolarHBondContact O-CG 3.45Å; R386-Q390 PolarHBondContact O-N 3.22Å
387M91.4Very high84.5Confident3 Ų348.4 Ų48.42%0.01527%0.267CS..Hα-helixtrans-61.9-50.9179.4-71.8-65.2-66.500111.5L290 V354 L361 F383 I384 N389 Q390 I391L290-M387 HydrophobicContact CD2-CE 3.23Å; V354-M387 HydrophobicContact CB-SD 4.2Å; V354-M387 HydrophobicContact CG1-SD 4.07Å; V354-M387 HydrophobicContact CG2-CE 3.94Å; V354-M387 HydrophobicContact CG2-SD 3.87Å; L361-M387 HydrophobicContact CD1-CE 3.43Å; L361-M387 VanDerWaalsContact CD1-CE 3.43Å; L361-M387 HydrophobicContact CD1-SD 3.78Å; L361-M387 HydrophobicContact CD2-CE 3.78Å; L361-M387 HydrophobicContact CG-CE 4.24Å; F383-M387 HydrophobicContact CD1-CG 4.48Å; F383-M387 HydrophobicContact CD2-CG 3.89Å; F383-M387 HydrophobicContact CE1-CG 4.04Å; F383-M387 HydrophobicContact CE2-CG 3.4Å; F383-M387 HydrophobicContact CE2-SD 3.8Å; F383-M387 HydrophobicContact CG-CG 4.42Å; F383-M387 HydrophobicContact CZ-CE 4.44Å; F383-M387 HydrophobicContact CZ-CG 3.48Å; F383-M387 VanDerWaalsContact CZ-CG 3.48Å; F383-M387 HydrophobicContact CZ-SD 4.11Å; F383-M387 WeakPolarHBondContact O-CG 3.39Å; F383-M387 PolarHBondContact O-N 3.47Å; I384-M387 PolarHBondContact O-N 3.11Å; M387-N389 VanDerWaalsContact C-N 3.28Å; M387-N389 PolarHBondContact O-N 3.05Å; M387-Q390 PolarHBondContact O-N 2.95Å; M387-I391 WeakPolarHBondContact O-CG1 3.42Å; M387-I391 PolarHBondContact O-N 3.41Å; M387-I391 VanDerWaalsContact O-N 3.09Å
388H93Very high83.4Confident8 Ų846.3 Ų46.34%0.03726%0.259CS..Hα-helixtrans-54.6-44.6177.2177.5-94.2000112L367 I384 Q390 I391 Q393 I422L367-H388 HydrophobicContact CD2-CB 4.44Å; I384-H388 WeakPolarHBondContact O-CB 3.3Å; I384-H388 PolarHBondContact O-N 2.72Å; H388-Q390 VanDerWaalsContact C-N 3.25Å; H388-Q390 PolarHBondContact O-N 3.05Å; H388-I391 PolarHBondContact O-N 3.41Å; H388-Q393 PolarHBondContact CE1-NE2 2.84Å; H388-Q393 VanDerWaalsContact CE1-NE2 3.26Å; H388-Q393 PolarHBondContact CE1-OE1 2.83Å; H388-Q393 PolarHBondContact NE2-NE2 3.39Å; H388-Q393 PolarHBondContact NE2-OE1 2.97Å; H388-Q393 PolarHBondContact O-NE2 2.71Å; H388-I422 HydrophobicContact CB-CG2 4.17Å
389N86.9Confident82.8Confident110 Ų11049.5 Ų49.559%0.58827%0.271SS*.Hα-helixtrans-67.8-22.5179.7-68.1-4.3000113.8N385 R386 M387N385-N389 WeakPolarHBondContact O-CB 3.23Å; N385-N389 PolarHBondContact O-N 3.36Å; N385-N389 VanDerWaalsContact O-N 3.09Å; N385-N389 PolarHBondContact O-ND2 2.83Å; N385-N389 PolarHBondContact O-OD1 3.2Å; R386-N389 PolarHBondContact O-N 2.86Å; M387-N389 VanDerWaalsContact C-N 3.28Å; M387-N389 PolarHBondContact O-N 3.05Å
390Q87.8Confident82.3Confident104 Ų10449.2 Ų49.249%0.48625%0.254SS..Hα-helixtrans-90.9-15.1176.8-71.8179.7-3.100113.1L361 R386 M387 H388L361-Q390 HydrophobicContact CD1-CB 3.91Å; R386-Q390 WeakPolarHBondContact O-CG 3.45Å; R386-Q390 PolarHBondContact O-N 3.22Å; M387-Q390 PolarHBondContact O-N 2.95Å; H388-Q390 VanDerWaalsContact C-N 3.25Å; H388-Q390 PolarHBondContact O-N 3.05Å
391I91.3Very high82.1Confident5 Ų546 Ų463%0.02624%0.241CC..SBendtrans-81.3134.6174.4-65.9161.4000109.1L290 L361 V364 L367 M387 H388 Q393 L401L290-I391 HydrophobicContact CD2-CD1 4.45Å; L361-I391 HydrophobicContact CB-CG1 3.89Å; L361-I391 HydrophobicContact CD1-CG1 4.01Å; L361-I391 HydrophobicContact CG-CG1 4.43Å; V364-I391 HydrophobicContact CB-CG1 4.21Å; V364-I391 HydrophobicContact CB-CG2 3.9Å; V364-I391 HydrophobicContact CG1-CD1 4.02Å; V364-I391 HydrophobicContact CG1-CG1 4.19Å; V364-I391 HydrophobicContact CG1-CG2 3.93Å; L367-I391 HydrophobicContact CB-CD1 4.3Å; L367-I391 HydrophobicContact CD1-CD1 4.11Å; L367-I391 HydrophobicContact CD2-CD1 4.13Å; L367-I391 HydrophobicContact CG-CD1 4.42Å; M387-I391 WeakPolarHBondContact O-CG1 3.42Å; M387-I391 PolarHBondContact O-N 3.41Å; M387-I391 VanDerWaalsContact O-N 3.09Å; H388-I391 PolarHBondContact O-N 3.41Å; I391-Q393 PolarHBondContact O-N 3.47Å; I391-Q393 VanDerWaalsContact O-N 3.17Å; I391-Q393 PolarHBondContact O-NE2 2.95Å; I391-L401 HydrophobicContact CB-CD2 4.16Å; I391-L401 HydrophobicContact CG2-CD1 3.59Å; I391-L401 HydrophobicContact CG2-CD2 3.62Å; I391-L401 HydrophobicContact CG2-CG 4.1Å
392P81.8Confident82.2Confident43 Ų4344.4 Ų44.428%0.27923%0.229SC..  trans-59.3120171.8-22.233.2000111.3L361 V394L361-P392 WeakPolarHBondContact O-CD 3.44Å; P392-V394 WeakPolarHBondContact CB-O 3.35Å; P392-V394 PolarHBondContact O-N 3.41Å
393Q81.3Confident82.5Confident23 Ų2339.1 Ų39.111%0.10720%0.201CC..SBendtrans-67.6-24.1176.6-61.4-58-4900112.3S100 H388 I391 R400 L401S100-Q393 VanDerWaalsContact O-CB 3.3Å; S100-Q393 WeakPolarHBondContact O-CB 3.47Å; H388-Q393 PolarHBondContact CE1-NE2 2.84Å; H388-Q393 VanDerWaalsContact CE1-NE2 3.26Å; H388-Q393 PolarHBondContact CE1-OE1 2.83Å; H388-Q393 PolarHBondContact NE2-NE2 3.39Å; H388-Q393 PolarHBondContact NE2-OE1 2.97Å; H388-Q393 PolarHBondContact O-NE2 2.71Å; I391-Q393 PolarHBondContact O-N 3.47Å; I391-Q393 VanDerWaalsContact O-N 3.17Å; I391-Q393 PolarHBondContact O-NE2 2.95Å; Q393-R400 CarbonylContact O-C 3.49Å; Q393-R400 WeakPolarHBondContact O-CA 3.42Å; Q393-R400 WeakPolarHBondContact O-CG 3.5Å; Q393-L401 PolarHBondContact O-N 2.96Å
394V71.5Confident82.7Confident47 Ų4738.8 Ų38.829%0.28520%0.199SC..BIsolated β-bridgetrans-125.3126.6170.7178.50000108.3S100 P392 K399S100-V394 WeakPolarHBondContact O-CG2 3.47Å; P392-V394 WeakPolarHBondContact CB-O 3.35Å; P392-V394 PolarHBondContact O-N 3.41Å; V394-K399 CarbonylContact C-O 3.41Å; V394-K399 WeakPolarHBondContact CA-O 3.08Å; V394-K399 WeakPolarHBondContact CG1-O 3.16Å
395T67.3Low82.7Confident12 Ų1238.8 Ų38.87%0.07420%0.199CC..  trans-79164.7179.657.90000110.4R365 D397 G398 K399R365-T395 HydrophobicContact CB-CG2 4.03Å; R365-T395 HydrophobicContact CG-CG2 3.63Å; T395-D397 WeakPolarHBondContact CB-OD1 3.44Å; T395-D397 PolarHBondContact O-N 3.31Å; T395-D397 PolarHBondContact OG1-OD1 2.87Å; T395-G398 PolarHBondContact O-N 3.29Å; T395-K399 PolarHBondContact N-O 3.04Å; T395-K399 WeakPolarHBondContact OG1-CB 3.49Å; T395-K399 PolarHBondContact OG1-N 3.44Å; T395-K399 PolarHBondContact OG1-O 3.33Å
396S58.9Low82.8Confident54 Ų5437.7 Ų37.738%0.37819%0.193SC..THydrogen-bonded Turntrans-61.4-16-174.859.70000115.4T280T280-S396 WeakPolarHBondContact OG1-CB 3.4Å
397D61.1Low82.7Confident64 Ų6432.5 Ų32.534%0.34217%0.174SC..THydrogen-bonded Turntrans-98.311.9174.362.8-24000113.3R365 T395 K399R365-D397 IonicContact CZ-OD1 3.81Å; R365-D397 IonicContact CZ-OD2 2.66Å; R365-D397 VanDerWaalsContact CZ-OD2 3.25Å; R365-D397 IonicContact NH1-OD1 3.71Å; R365-D397 PolarHBondContact NH1-OD1 2.93Å; R365-D397 IonicContact NH1-OD2 3.69Å; R365-D397 PolarHBondContact NH1-OD2 3.44Å; R365-D397 IonicContact NH2-OD1 2.65Å; R365-D397 PolarHBondContact NH2-OD1 2.62Å; R365-D397 IonicContact NH2-OD2 3.8Å; R365-D397 PolarHBondContact NH2-OD2 2.96Å; R365-D397 VanDerWaalsContact NH2-OD2 3.09Å; T395-D397 WeakPolarHBondContact CB-OD1 3.44Å; T395-D397 PolarHBondContact O-N 3.31Å; T395-D397 PolarHBondContact OG1-OD1 2.87Å; D397-K399 PolarHBondContact O-N 3.26Å
398G62.1Low82Confident24 Ų2432.4 Ų32.425%0.24717%0.174CC..SBendtrans78.40.3176.600000114.8R98 T395R98-G398 PolarHBondContact NH2-O 2.98Å; T395-G398 PolarHBondContact O-N 3.29Å
399K72.6Confident81Confident126 Ų12632.9 Ų32.955%0.54818%0.177SC..PPolyproline II helixtrans-72.4158.1169.7-63.1-173178.7-173.30109.7V394 T395 D397V394-K399 CarbonylContact C-O 3.41Å; V394-K399 WeakPolarHBondContact CA-O 3.08Å; V394-K399 WeakPolarHBondContact CG1-O 3.16Å; T395-K399 PolarHBondContact N-O 3.04Å; T395-K399 WeakPolarHBondContact OG1-CB 3.49Å; T395-K399 PolarHBondContact OG1-N 3.44Å; T395-K399 PolarHBondContact OG1-O 3.33Å; D397-K399 PolarHBondContact O-N 3.26Å
400R77.3Confident80.6Confident48 Ų4827.8 Ų27.818%0.18115%0.15CC..BIsolated β-bridgetrans-85.1157.1175.5-161.7-170.9146-120.812.8109.9D41 Q393 Q402 I422 H424D41-R400 IonicContact OD1-CZ 3.73Å; D41-R400 IonicContact OD1-NH1 3.38Å; D41-R400 PolarHBondContact OD1-NH1 2.72Å; D41-R400 IonicContact OD2-CZ 2.82Å; D41-R400 IonicContact OD2-NH1 3.41Å; D41-R400 PolarHBondContact OD2-NH1 3.33Å; D41-R400 IonicContact OD2-NH2 3.75Å; D41-R400 PolarHBondContact OD2-NH2 2.92Å; Q393-R400 CarbonylContact O-C 3.49Å; Q393-R400 WeakPolarHBondContact O-CA 3.42Å; Q393-R400 WeakPolarHBondContact O-CG 3.5Å; R400-Q402 PolarHBondContact O-N 3.33Å; R400-I422 PolarHBondContact NH2-O 2.62Å; R400-H424 VanDerWaalsContact CD-CD2 3.42Å; R400-H424 WeakPolarHBondContact CD-CD2 3.32Å; R400-H424 VanDerWaalsContact CZ-CB 3.44Å; R400-H424 PolarHBondContact NE-CD2 3.1Å; R400-H424 PolarHBondContact NE-NE2 2.66Å; R400-H424 PolarHBondContact NH2-CD2 3.26Å; R400-H424 PolarHBondContact NH2-ND1 3.13Å; R400-H424 PolarHBondContact NH2-NE2 3.44Å
401L89.3Confident79.9Confident0 Ų027.7 Ų27.70%015%0.149CC..PPolyproline II helixtrans-51.5125.2153.4177.462000109.2V364 R365 L367 I391 Q393 V403V364-L401 HydrophobicContact CG1-CD1 4.26Å; R365-L401 WeakPolarHBondContact O-CD1 3.18Å; L367-L401 HydrophobicContact CB-CD1 4.16Å; I391-L401 HydrophobicContact CB-CD2 4.16Å; I391-L401 HydrophobicContact CG2-CD1 3.59Å; I391-L401 HydrophobicContact CG2-CD2 3.62Å; I391-L401 HydrophobicContact CG2-CG 4.1Å; Q393-L401 PolarHBondContact O-N 2.96Å; L401-V403 HydrophobicContact CD2-CG2 4.07Å; L401-V403 HydrophobicContact CG-CG2 4.03Å
402Q92.9Very high79.3Confident11 Ų1129 Ų295%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-96.6127.6170.7-168.3172.70.100108.6I36 G40 D41 R365 F366 L367 R400I36-Q402 PolarHBondContact O-NE2 2.74Å; G40-Q402 WeakPolarHBondContact O-CG 3.36Å; G40-Q402 PolarHBondContact O-NE2 2.76Å; D41-Q402 WeakPolarHBondContact OD1-CA 3.17Å; R365-Q402 PolarHBondContact O-N 3.27Å; F366-Q402 WeakPolarHBondContact CA-O 3.17Å; F366-Q402 HydrophobicContact CD1-CB 4.06Å; F366-Q402 HydrophobicContact CD1-CG 4.5Å; F366-Q402 HydrophobicContact CE1-CB 4.24Å; L367-Q402 PolarHBondContact N-O 2.92Å; R400-Q402 PolarHBondContact O-N 3.33Å
403V96.4Very high79.2Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-112.1126.1179.8-172.20000108.9D41 V42 L367 L401 V405 I422 M423D41-V403 VanDerWaalsContact CA-O 3.29Å; D41-V403 WeakPolarHBondContact CA-O 3.31Å; D41-V403 WeakPolarHBondContact CB-O 3.49Å; D41-V403 PolarHBondContact OD1-N 3.5Å; V42-V403 PolarHBondContact N-O 3.35Å; L367-V403 HydrophobicContact CB-CG2 4.48Å; L367-V403 WeakPolarHBondContact O-CA 3.37Å; L401-V403 HydrophobicContact CD2-CG2 4.07Å; L401-V403 HydrophobicContact CG-CG2 4.03Å; V403-V405 HydrophobicContact CG1-CG2 4.09Å; V403-I422 HydrophobicContact CG1-CD1 3.85Å; V403-I422 HydrophobicContact CG1-CG1 4.11Å; V403-M423 HydrophobicContact CB-CB 4.07Å; V403-M423 HydrophobicContact CB-CG 4.11Å; V403-M423 HydrophobicContact CG1-CB 4.42Å; V403-M423 HydrophobicContact CG1-CG 3.92Å; V403-M423 WeakPolarHBondContact O-CE 3.34Å
404I97.4Very high79.6Confident0 Ų037.5 Ų37.50%020%0.195CC..EExtended strand (participates in β ladder)trans-119.2125.7178.1-58.5154.1000107.1I36 V42 M44 F56 V60 F366 L367 V368 L369I36-I404 HydrophobicContact CD1-CD1 4.01Å; I36-I404 HydrophobicContact CD1-CG1 4.29Å; I36-I404 HydrophobicContact CD1-CG2 4.2Å; I36-I404 HydrophobicContact CG1-CD1 4.17Å; I36-I404 HydrophobicContact CG1-CG1 4.27Å; I36-I404 HydrophobicContact CG2-CD1 3.72Å; V42-I404 WeakPolarHBondContact O-CA 2.81Å; M44-I404 HydrophobicContact CE-CG2 3.65Å; F56-I404 HydrophobicContact CB-CG2 3.93Å; V60-I404 HydrophobicContact CG2-CD1 3.86Å; F366-I404 HydrophobicContact CD1-CD1 4.44Å; L367-I404 PolarHBondContact O-N 2.96Å; V368-I404 CarbonylContact C-O 3.57Å; V368-I404 VanDerWaalsContact CA-O 3.29Å; V368-I404 WeakPolarHBondContact CA-O 3.07Å; V368-I404 HydrophobicContact CG1-CB 4.35Å; V368-I404 HydrophobicContact CG1-CG2 4.41Å; V368-I404 HydrophobicContact CG2-CB 4.24Å; V368-I404 HydrophobicContact CG2-CD1 4.09Å; L369-I404 PolarHBondContact N-O 3.26Å
405V96Very high80.4Confident1 Ų135.2 Ų35.21%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-121.9119.1-179.2177.90000108.1V42 L43 M44 L369 A372 V403 M423V42-V405 PolarHBondContact O-N 2.85Å; L43-V405 WeakPolarHBondContact CA-O 3.37Å; L43-V405 HydrophobicContact CD1-CB 3.54Å; L43-V405 HydrophobicContact CD1-CG1 3.48Å; L43-V405 VanDerWaalsContact CD1-CG1 3.48Å; M44-V405 PolarHBondContact N-O 3.26Å; L369-V405 HydrophobicContact CB-CG2 4.34Å; L369-V405 HydrophobicContact CD1-CG2 4.22Å; L369-V405 HydrophobicContact CG-CG2 4.49Å; L369-V405 WeakPolarHBondContact O-CA 3.31Å; A372-V405 HydrophobicContact CB-CG1 3.54Å; V403-V405 HydrophobicContact CG1-CG2 4.09Å; V405-M423 HydrophobicContact CB-CE 4.11Å; V405-M423 HydrophobicContact CB-SD 4.4Å; V405-M423 HydrophobicContact CG2-CE 3.82Å; V405-M423 HydrophobicContact CG2-CG 4.33Å; V405-M423 HydrophobicContact CG2-SD 3.89Å
406C93.5Very high81.3Confident0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-104.7130.5172.7-440000108M44 K52 F56 L369 D370 E371 A372M44-C406 WeakPolarHBondContact CE-SG 3.43Å; M44-C406 HydrophobicContact CG-CB 4.29Å; M44-C406 WeakPolarHBondContact O-CA 3.49Å; K52-C406 HydrophobicContact CD-CB 4.39Å; F56-C406 WeakPolarHBondContact CD1-SG 3.33Å; L369-C406 PolarHBondContact O-N 3.43Å; D370-C406 WeakPolarHBondContact OD1-CB 3.2Å; E371-C406 PolarHBondContact N-O 3.38Å; E371-C406 VanDerWaalsContact N-O 3.12Å; A372-C406 WeakPolarHBondContact CB-O 3.22Å; A372-C406 PolarHBondContact N-O 3.34Å
407S87Confident82.7Confident0 Ų041.6 Ų41.60%020%0.202CC..EExtended strand (participates in β ladder)trans-145.6158.6175.3171.30000109.3M44 A45 D373 T409M44-S407 PolarHBondContact O-N 3.4Å; A45-S407 WeakPolarHBondContact CA-O 3.31Å; A45-S407 VanDerWaalsContact CB-O 3.29Å; A45-S407 WeakPolarHBondContact CB-O 3.4Å; D373-S407 PolarHBondContact OD2-OG 3.44Å; S407-T409 VanDerWaalsContact C-N 3.26Å; S407-T409 PolarHBondContact OG-N 3.01Å; S407-T409 PolarHBondContact OG-OG1 3.4Å
408A76.3Confident84.2Confident1 Ų139 Ų391%0.00819%0.188CC..SBendtrans-80.4-11167.300000113.1D373 K432 H601D373-A408 WeakPolarHBondContact OD2-CB 3.44Å; D373-A408 PolarHBondContact OD2-N 3.41Å; A408-K432 WeakPolarHBondContact O-CD 3.39Å; A408-K432 PolarHBondContact O-NZ 2.9Å; A408-H601 WeakPolarHBondContact CB-CE1 3.46Å; A408-H601 WeakPolarHBondContact CB-NE2 3.14Å
409T73.1Confident85.5Confident18 Ų1838.1 Ų38.111%0.1118%0.178CC..  trans-142.577.5-167.958.50000112.2D373 S407 H411 S412 Q597D373-T409 WeakPolarHBondContact CB-OG1 3.41Å; D373-T409 PolarHBondContact OD2-N 3.46Å; D373-T409 PolarHBondContact OD2-OG1 2.88Å; S407-T409 VanDerWaalsContact C-N 3.26Å; S407-T409 PolarHBondContact OG-N 3.01Å; S407-T409 PolarHBondContact OG-OG1 3.4Å; T409-H411 PolarHBondContact O-N 3.11Å; T409-S412 PolarHBondContact O-N 3.38Å; T409-S412 PolarHBondContact O-OG 2.98Å; T409-Q597 HydrophobicContact CG2-CB 4.27Å; T409-Q597 HydrophobicContact CG2-CG 4Å
410L77.5Confident86.1Confident2 Ų238 Ų381%0.0118%0.179CC..THydrogen-bonded Turntrans-63.3-23.8177.2-64.3-170.2000113.5L43 A45 S412 V415 K416 W428 D430L43-L410 HydrophobicContact CD1-CD2 3.46Å; L43-L410 VanDerWaalsContact CD1-CD2 3.46Å; L43-L410 HydrophobicContact CD2-CD1 4.49Å; L43-L410 HydrophobicContact CD2-CD2 4.04Å; L43-L410 HydrophobicContact CG-CD1 4.06Å; L43-L410 HydrophobicContact CG-CD2 3.42Å; L43-L410 VanDerWaalsContact CG-CD2 3.42Å; L43-L410 HydrophobicContact CG-CG 4.25Å; A45-L410 HydrophobicContact CB-CB 4.46Å; A45-L410 HydrophobicContact CB-CD1 4.01Å; A45-L410 HydrophobicContact CB-CD2 4.06Å; A45-L410 HydrophobicContact CB-CG 3.49Å; A45-L410 VanDerWaalsContact CB-CG 3.49Å; L410-S412 VanDerWaalsContact C-N 3.35Å; L410-V415 HydrophobicContact CD2-CG1 4.34Å; L410-K416 WeakPolarHBondContact O-CG 3.1Å; L410-W428 HydrophobicContact CB-CE3 4.14Å; L410-W428 HydrophobicContact CB-CZ3 3.77Å; L410-W428 HydrophobicContact CD1-CE3 3.88Å; L410-W428 HydrophobicContact CD1-CZ3 4.39Å; L410-D430 HydrophobicContact CD1-CB 4.05Å
411H72.6Confident86.5Confident103 Ų10340.5 Ų40.548%0.47719%0.191SC..THydrogen-bonded Turntrans-85-7.4-177.6-63-31.1000114.5T409 W428 D430T409-H411 PolarHBondContact O-N 3.11Å; H411-W428 AromaticContact ND1-CZ3 3.91Å; H411-D430 IonicContact CD2-OD2 3.61Å; H411-D430 IonicContact CE1-OD2 3.04Å; H411-D430 PolarHBondContact CE1-OD2 2.63Å; H411-D430 IonicContact NE2-OD2 2.8Å; H411-D430 PolarHBondContact NE2-OD2 2.89Å
412S79.2Confident86.6Confident32 Ų3240.5 Ų40.522%0.22419%0.191CC..SBendtrans-62.6139.2174.669.70000110.5T409 L410 D414 V415 K416T409-S412 PolarHBondContact O-N 3.38Å; T409-S412 PolarHBondContact O-OG 2.98Å; L410-S412 VanDerWaalsContact C-N 3.35Å; S412-D414 PolarHBondContact O-N 3.31Å; S412-V415 PolarHBondContact O-N 3.12Å; S412-V415 VanDerWaalsContact OG-CB 3.25Å; S412-V415 WeakPolarHBondContact OG-CB 3.37Å; S412-V415 WeakPolarHBondContact OG-CG2 3.34Å; S412-V415 PolarHBondContact OG-N 3.39Å; S412-K416 PolarHBondContact O-N 3.13Å; S412-K416 VanDerWaalsContact O-N 3.09Å
413F81Confident86.5Confident152 Ų15240 Ų4067%0.66719%0.189SC*.Hα-helixtrans-56.7-40.8-177.8176.2-98.3000111.9K416 K417F413-K416 PolarHBondContact O-N 2.92Å; F413-K417 HydrophobicContact CE1-CD 4.02Å; F413-K417 HydrophobicContact CZ-CD 4.35Å; F413-K417 VanDerWaalsContact O-CB 3.29Å; F413-K417 WeakPolarHBondContact O-CB 3.27Å; F413-K417 PolarHBondContact O-N 3.2Å
414D87.7Confident85.8Confident92 Ų9240.7 Ų40.749%0.49219%0.192SC..Hα-helixtrans-70.6-36.5-177.8-65.7-47.2000112.8L376 S412 L418L376-D414 HydrophobicContact CB-CB 4.5Å; L376-D414 HydrophobicContact CD1-CB 3.94Å; S412-D414 PolarHBondContact O-N 3.31Å; D414-L418 WeakPolarHBondContact O-CB 3.16Å; D414-L418 PolarHBondContact O-N 3.38Å
415V89Confident84.9Confident0 Ų043.4 Ų43.40%020%0.204CC..Hα-helixtrans-68.6-42.4175.3173.10000110.8L43 D373 L376 L410 S412 L418 S419L43-V415 HydrophobicContact CD1-CG1 4.1Å; D373-V415 HydrophobicContact CB-CG2 4.25Å; L376-V415 HydrophobicContact CD1-CB 4.48Å; L376-V415 HydrophobicContact CD1-CG2 3.78Å; L410-V415 HydrophobicContact CD2-CG1 4.34Å; S412-V415 PolarHBondContact O-N 3.12Å; S412-V415 VanDerWaalsContact OG-CB 3.25Å; S412-V415 WeakPolarHBondContact OG-CB 3.37Å; S412-V415 WeakPolarHBondContact OG-CG2 3.34Å; S412-V415 PolarHBondContact OG-N 3.39Å; V415-L418 WeakPolarHBondContact O-CB 3.47Å; V415-L418 PolarHBondContact O-N 3.16Å; V415-S419 PolarHBondContact O-N 3.31Å
416K86.1Confident84.6Confident77 Ų7744.8 Ų44.834%0.33521%0.213SC..Hα-helixtrans-59.2-48.5173.6-74.9-176.5173.8161.50112.2L410 S412 F413 L418 S419 E420 W428L410-K416 WeakPolarHBondContact O-CG 3.1Å; S412-K416 PolarHBondContact O-N 3.13Å; S412-K416 VanDerWaalsContact O-N 3.09Å; F413-K416 PolarHBondContact O-N 2.92Å; K416-L418 VanDerWaalsContact C-N 3.27Å; K416-L418 PolarHBondContact O-N 3.02Å; K416-S419 PolarHBondContact O-N 3.03Å; K416-S419 PolarHBondContact O-OG 2.96Å; K416-E420 WeakPolarHBondContact O-CG 3.28Å; K416-E420 PolarHBondContact O-N 2.75Å; K416-W428 HydrophobicContact CD-CH2 4.37Å; K416-W428 HydrophobicContact CG-CH2 3.95Å
417K88.4Confident84.2Confident123 Ų12347.7 Ų47.754%0.53523%0.231SC..Hα-helixtrans-63.1-35.7178.5-175.9178.7179.5-178.90112.2F413 K421F413-K417 HydrophobicContact CE1-CD 4.02Å; F413-K417 HydrophobicContact CZ-CD 4.35Å; F413-K417 VanDerWaalsContact O-CB 3.29Å; F413-K417 WeakPolarHBondContact O-CB 3.27Å; F413-K417 PolarHBondContact O-N 3.2Å; K417-K421 WeakPolarHBondContact O-CB 3.19Å; K417-K421 PolarHBondContact O-N 3.27Å
418L92.1Very high84.2Confident10 Ų1052.9 Ų52.95%0.05225%0.25CS..Hα-helixtrans-65.8-48.8173.5-179.667.1000110.7L369 L376 I384 D414 V415 K416 E420 K421 I422L369-L418 HydrophobicContact CD1-CD2 3.86Å; L376-L418 HydrophobicContact CD1-CB 4.35Å; L376-L418 HydrophobicContact CD1-CD2 4.07Å; L376-L418 HydrophobicContact CD2-CD2 4.23Å; L376-L418 HydrophobicContact CG-CD2 4.37Å; I384-L418 HydrophobicContact CD1-CD2 4.36Å; I384-L418 HydrophobicContact CG2-CD1 3.9Å; D414-L418 WeakPolarHBondContact O-CB 3.16Å; D414-L418 PolarHBondContact O-N 3.38Å; V415-L418 WeakPolarHBondContact O-CB 3.47Å; V415-L418 PolarHBondContact O-N 3.16Å; K416-L418 VanDerWaalsContact C-N 3.27Å; K416-L418 PolarHBondContact O-N 3.02Å; L418-E420 PolarHBondContact O-N 2.99Å; L418-K421 WeakPolarHBondContact O-CB 3.18Å; L418-K421 PolarHBondContact O-N 3.02Å; L418-I422 HydrophobicContact CD1-CD1 3.98Å; L418-I422 HydrophobicContact CD1-CG1 4.45Å; L418-I422 HydrophobicContact CD1-CG2 4.41Å; L418-I422 HydrophobicContact CD2-CD1 4.5Å; L418-I422 HydrophobicContact CG-CD1 4.03Å; L418-I422 HydrophobicContact CG-CG1 4.44Å; L418-I422 WeakPolarHBondContact O-CG1 3.34Å; L418-I422 PolarHBondContact O-N 3.33Å; L418-I422 VanDerWaalsContact O-N 3.1Å
419S89.3Confident84.8Confident5 Ų553.3 Ų53.34%0.03525%0.253CS..Hα-helixtrans-61.9-43.4-178.172.20000111.7V415 K416 K421 M423V415-S419 PolarHBondContact O-N 3.31Å; K416-S419 PolarHBondContact O-N 3.03Å; K416-S419 PolarHBondContact O-OG 2.96Å; S419-K421 PolarHBondContact O-N 3.46Å; S419-K421 VanDerWaalsContact O-N 3.14Å; S419-M423 VanDerWaalsContact CB-SD 3.57Å; S419-M423 WeakPolarHBondContact O-CA 3.5Å; S419-M423 PolarHBondContact O-N 3.08Å
420E85.2Confident85.2Confident122 Ų12254.8 Ų54.857%0.5726%0.26SS*.Hα-helixtrans-59-28174.7-72.9170.9-17800113.2R114 K416 L418R114-E420 WeakPolarHBondContact CD-O 3.41Å; R114-E420 VanDerWaalsContact CG-O 3.32Å; R114-E420 WeakPolarHBondContact CG-O 3.39Å; R114-E420 PolarHBondContact NE-O 3.13Å; K416-E420 WeakPolarHBondContact O-CG 3.28Å; K416-E420 PolarHBondContact O-N 2.75Å; L418-E420 PolarHBondContact O-N 2.99Å
421K87Confident85.2Confident101 Ų10158.5 Ų58.544%0.43928%0.28SS..Hα-helixtrans-87.8-42.8-173.6-172.8175.5-179.5-176.30113.8N385 K417 L418 S419N385-K421 PolarHBondContact ND2-NZ 2.84Å; N385-K421 WeakPolarHBondContact OD1-CD 3.38Å; N385-K421 WeakPolarHBondContact OD1-CE 3.21Å; N385-K421 PolarHBondContact OD1-NZ 3.4Å; K417-K421 WeakPolarHBondContact O-CB 3.19Å; K417-K421 PolarHBondContact O-N 3.27Å; L418-K421 WeakPolarHBondContact O-CB 3.18Å; L418-K421 PolarHBondContact O-N 3.02Å; S419-K421 PolarHBondContact O-N 3.46Å; S419-K421 VanDerWaalsContact O-N 3.14Å
422I90.3Very high84.9Confident0 Ų055.2 Ų55.20%026%0.264CS..Hα-helixtrans-106.6-17.8-175.970.4176.3000112.4L369 I384 H388 R400 V403 L418L369-I422 HydrophobicContact CD1-CD1 3.54Å; I384-I422 HydrophobicContact CG2-CD1 4.18Å; H388-I422 HydrophobicContact CB-CG2 4.17Å; R400-I422 PolarHBondContact NH2-O 2.62Å; V403-I422 HydrophobicContact CG1-CD1 3.85Å; V403-I422 HydrophobicContact CG1-CG1 4.11Å; L418-I422 HydrophobicContact CD1-CD1 3.98Å; L418-I422 HydrophobicContact CD1-CG1 4.45Å; L418-I422 HydrophobicContact CD1-CG2 4.41Å; L418-I422 HydrophobicContact CD2-CD1 4.5Å; L418-I422 HydrophobicContact CG-CD1 4.03Å; L418-I422 HydrophobicContact CG-CG1 4.44Å; L418-I422 WeakPolarHBondContact O-CG1 3.34Å; L418-I422 PolarHBondContact O-N 3.33Å; L418-I422 VanDerWaalsContact O-N 3.1Å
423M90.9Very high84Confident1 Ų155.6 Ų55.61%0.00527%0.273CS..  trans-71.3141.5-179.850111.67400112.5D41 V42 L43 V403 V405 S419 P426D41-M423 HydrophobicContact CB-CB 3.85Å; D41-M423 HydrophobicContact CB-CE 3.96Å; D41-M423 WeakPolarHBondContact OD2-CB 3.44Å; V42-M423 VanDerWaalsContact C-CE 3.47Å; V42-M423 VanDerWaalsContact O-CE 3.23Å; V42-M423 WeakPolarHBondContact O-CE 3.49Å; L43-M423 HydrophobicContact CB-CE 3.99Å; L43-M423 HydrophobicContact CB-SD 4.19Å; L43-M423 HydrophobicContact CD1-SD 4.48Å; V403-M423 HydrophobicContact CB-CB 4.07Å; V403-M423 HydrophobicContact CB-CG 4.11Å; V403-M423 HydrophobicContact CG1-CB 4.42Å; V403-M423 HydrophobicContact CG1-CG 3.92Å; V403-M423 WeakPolarHBondContact O-CE 3.34Å; V405-M423 HydrophobicContact CB-CE 4.11Å; V405-M423 HydrophobicContact CB-SD 4.4Å; V405-M423 HydrophobicContact CG2-CE 3.82Å; V405-M423 HydrophobicContact CG2-CG 4.33Å; V405-M423 HydrophobicContact CG2-SD 3.89Å; S419-M423 VanDerWaalsContact CB-SD 3.57Å; S419-M423 WeakPolarHBondContact O-CA 3.5Å; S419-M423 PolarHBondContact O-N 3.08Å; M423-P426 HydrophobicContact CB-CB 4.47Å; M423-P426 HydrophobicContact CE-CB 3.78Å; M423-P426 HydrophobicContact SD-CB 3.72Å; M423-P426 HydrophobicContact SD-CG 4.13Å
424H81.9Confident83.1Confident14 Ų1456.9 Ų56.97%0.06528%0.281CS..SBendtrans-123.7119.6154.7-61.8-10.8000110.6D41 A103 Q112 R400 P426D41-H424 PolarHBondContact OD2-N 3.4Å; A103-H424 HydrophobicContact CB-CB 3.71Å; A103-H424 WeakPolarHBondContact CB-CD2 3.45Å; Q112-H424 VanDerWaalsContact OE1-CA 3.31Å; R400-H424 VanDerWaalsContact CD-CD2 3.42Å; R400-H424 WeakPolarHBondContact CD-CD2 3.32Å; R400-H424 VanDerWaalsContact CZ-CB 3.44Å; R400-H424 PolarHBondContact NE-CD2 3.1Å; R400-H424 PolarHBondContact NE-NE2 2.66Å; R400-H424 PolarHBondContact NH2-CD2 3.26Å; R400-H424 PolarHBondContact NH2-ND1 3.13Å; R400-H424 PolarHBondContact NH2-NE2 3.44Å; H424-P426 VanDerWaalsContact C-N 3.33Å
425F79.1Confident82Confident57 Ų5753.8 Ų53.825%0.2526%0.264CS..SBendtrans44.851.5-176.4-51.6-72.5000113.2A103 C110 Q112 E237 T427A103-F425 HydrophobicContact CB-CD2 4.24Å; A103-F425 HydrophobicContact CB-CE2 3.76Å; C110-F425 HydrophobicContact CB-CE1 3.97Å; C110-F425 HydrophobicContact CB-CZ 3.94Å; Q112-F425 HydrophobicContact CB-CE1 3.95Å; Q112-F425 HydrophobicContact CB-CE2 3.76Å; Q112-F425 HydrophobicContact CB-CZ 3.34Å; Q112-F425 HydrophobicContact CG-CZ 4.39Å; E237-F425 HydrophobicContact CG-CE1 4.03Å; E237-F425 HydrophobicContact CG-CZ 4.46Å; E237-F425 WeakPolarHBondContact OE2-CE1 3.5Å; F425-T427 PolarHBondContact O-N 2.99Å
426P89.4Confident81.1Confident30 Ų3057.2 Ų57.220%0.19529%0.288CS..PPolyproline II helixtrans-63.7131.6-176.628.2-34.7000110.6D41 L43 M423 H424D41-P426 HydrophobicContact CB-CB 4.18Å; D41-P426 WeakPolarHBondContact O-CA 3.47Å; L43-P426 HydrophobicContact CB-CB 4.24Å; M423-P426 HydrophobicContact CB-CB 4.47Å; M423-P426 HydrophobicContact CE-CB 3.78Å; M423-P426 HydrophobicContact SD-CB 3.72Å; M423-P426 HydrophobicContact SD-CG 4.13Å; H424-P426 VanDerWaalsContact C-N 3.33Å
427T84.8Confident80.7Confident61 Ų6155 Ų5537%0.37428%0.281SS..EExtended strand (participates in β ladder)trans-76.2128.5166.9-56.30000108.6L35 D41 L43 F425L35-T427 HydrophobicContact CD1-CG2 3.64Å; L35-T427 HydrophobicContact CD2-CG2 4.13Å; D41-T427 PolarHBondContact O-N 3.08Å; L43-T427 PolarHBondContact N-O 3.15Å; F425-T427 PolarHBondContact O-N 2.99Å
428W88.2Confident80Confident110 Ų11050.8 Ų50.842%0.41727%0.267SS..EExtended strand (participates in β ladder)trans-88124.1177.6-72.154.5000109.5L43 L410 H411 K416L43-W428 HydrophobicContact CD2-CD2 4.01Å; L43-W428 HydrophobicContact CD2-CE3 4.35Å; L43-W428 HydrophobicContact CD2-CH2 4.15Å; L43-W428 HydrophobicContact CD2-CZ2 3.79Å; L43-W428 HydrophobicContact CD2-CZ3 4.41Å; L43-W428 WeakPolarHBondContact O-CA 3.44Å; L410-W428 HydrophobicContact CB-CE3 4.14Å; L410-W428 HydrophobicContact CB-CZ3 3.77Å; L410-W428 HydrophobicContact CD1-CE3 3.88Å; L410-W428 HydrophobicContact CD1-CZ3 4.39Å; H411-W428 AromaticContact ND1-CZ3 3.91Å; K416-W428 HydrophobicContact CD-CH2 4.37Å; K416-W428 HydrophobicContact CG-CH2 3.95Å
429V87.6Confident79Confident9 Ų957.8 Ų57.86%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-117.288.9170.7-174.60000107.2I28 E31 L35 V42 L43 M44 A45 L431I28-V429 HydrophobicContact CD1-CB 4.41Å; I28-V429 HydrophobicContact CD1-CG1 3.68Å; E31-V429 HydrophobicContact CB-CG1 3.64Å; E31-V429 HydrophobicContact CG-CG1 4.36Å; L35-V429 HydrophobicContact CD1-CG2 3.54Å; V42-V429 HydrophobicContact CG1-CG2 4.22Å; L43-V429 PolarHBondContact O-N 2.97Å; M44-V429 CarbonylContact C-O 3.55Å; M44-V429 VanDerWaalsContact CA-O 3.29Å; M44-V429 WeakPolarHBondContact CA-O 3.43Å; M44-V429 HydrophobicContact CB-CB 4.11Å; A45-V429 PolarHBondContact N-O 3.32Å; V429-L431 HydrophobicContact CG1-CG 4.2Å
430D83.3Confident78.3Confident49 Ų4959.3 Ų59.326%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-104.999.8178.5-161.7-23.9000109.9L410 H411 K432 G433L410-D430 HydrophobicContact CD1-CB 4.05Å; H411-D430 IonicContact CD2-OD2 3.61Å; H411-D430 IonicContact CE1-OD2 3.04Å; H411-D430 PolarHBondContact CE1-OD2 2.63Å; H411-D430 IonicContact NE2-OD2 2.8Å; H411-D430 PolarHBondContact NE2-OD2 2.89Å; D430-K432 PolarHBondContact OD1-N 2.82Å; D430-K432 VanDerWaalsContact OD1-N 3.11Å; D430-G433 PolarHBondContact OD1-N 2.88Å
431L76.5Confident78.3Confident81 Ų8154 Ų5442%0.42429%0.289SS..  trans-98-3.4177-60.5-176.3000112.8D27 I28 A45 V429D27-L431 VanDerWaalsContact C-CD1 3.42Å; D27-L431 HydrophobicContact CB-CD1 3.53Å; I28-L431 VanDerWaalsContact CA-CD1 3.44Å; I28-L431 HydrophobicContact CB-CD1 3.8Å; I28-L431 HydrophobicContact CD1-CD1 3.86Å; I28-L431 HydrophobicContact CD1-CG 4.21Å; I28-L431 HydrophobicContact CG1-CD1 4.45Å; A45-L431 PolarHBondContact O-N 3.01Å; V429-L431 HydrophobicContact CG1-CG 4.2Å
432K65.3Low78.3Confident33 Ų3350.9 Ų50.914%0.14328%0.276CS..SBendtrans-89-36.2-175.8-162.8-175.6-174.2-170.60111.2E47 A408 D430 D435E47-K432 HydrophobicContact CG-CG 4.38Å; A408-K432 WeakPolarHBondContact O-CD 3.39Å; A408-K432 PolarHBondContact O-NZ 2.9Å; D430-K432 PolarHBondContact OD1-N 2.82Å; D430-K432 VanDerWaalsContact OD1-N 3.11Å; K432-D435 WeakPolarHBondContact CE-OD1 3.41Å; K432-D435 IonicContact NZ-OD1 3.05Å; K432-D435 PolarHBondContact NZ-OD1 2.7Å
433G61.8Low78.5Confident41 Ų4152 Ų5242%0.42328%0.281SS..  trans63-152.4-168.200000111D430D430-G433 PolarHBondContact OD1-N 2.88Å
434E60.5Low78.7Confident179 Ų17952 Ų5284%0.83628%0.281SS*.SBendtrans-66.5147173.6-65.7-174.4168.200111.1S436E434-S436 PolarHBondContact O-N 2.76Å
435D65.9Low79.4Confident26 Ų2651.5 Ų51.514%0.13928%0.279CS..  trans-60.1108.6179.3-77-54.2000111.2K432 V600 H665K432-D435 WeakPolarHBondContact CE-OD1 3.41Å; K432-D435 IonicContact NZ-OD1 3.05Å; K432-D435 PolarHBondContact NZ-OD1 2.7Å; D435-V600 HydrophobicContact CB-CG2 4.35Å; D435-H665 VanDerWaalsContact CB-CE1 3.43Å; D435-H665 WeakPolarHBondContact CB-CE1 3.38Å; D435-H665 VanDerWaalsContact CB-NE2 3.34Å; D435-H665 WeakPolarHBondContact CB-NE2 3.35Å; D435-H665 IonicContact OD2-CE1 3.06Å; D435-H665 PolarHBondContact OD2-CE1 2.99Å; D435-H665 IonicContact OD2-NE2 2.68Å; D435-H665 PolarHBondContact OD2-NE2 3.01Å; D435-H665 VanDerWaalsContact OD2-NE2 3.1Å
436S70.4Confident80.3Confident72 Ų7248.8 Ų48.850%0.50327%0.267SS..  trans-113.5154.6174.863.60000112.4E434E434-S436 PolarHBondContact O-N 2.76Å
437V77.9Confident80.7Confident30 Ų3048.8 Ų48.818%0.18227%0.267CS..  trans-82.6127.8169.5-178.70000108.7V441 I603 L666V437-V441 HydrophobicContact CG1-CB 3.87Å; V437-V441 HydrophobicContact CG1-CG1 4.02Å; V437-I603 HydrophobicContact CB-CD1 4.4Å; V437-I603 HydrophobicContact CG1-CD1 3.78Å; V437-I603 HydrophobicContact CG2-CD1 3.79Å; V437-L666 HydrophobicContact CG2-CD1 3.73Å; V437-L666 HydrophobicContact CG2-CD2 3.82Å; V437-L666 HydrophobicContact CG2-CG 4.37Å
438P71.9Confident81.3Confident36 Ų3645.9 Ų45.923%0.23425%0.25CC..  trans-61.8140.8177.2-19.930.2000111.3T440 V441P438-T440 PolarHBondContact O-N 2.86Å; P438-V441 HydrophobicContact CB-CG2 4.11Å; P438-V441 HydrophobicContact CG-CG2 4.18Å; P438-V441 WeakPolarHBondContact O-CB 3.41Å; P438-V441 PolarHBondContact O-N 3.41Å
439D71.5Confident81.8Confident157 Ų15742.6 Ų42.684%0.8424%0.24SC*.THydrogen-bonded Turntrans-57.5-20.3-179.8-61.9-27.3000113.9V441D439-V441 PolarHBondContact O-N 3.23Å
440T75.1Confident82.1Confident36 Ų3642.1 Ų42.122%0.22124%0.237CC..THydrogen-bonded Turntrans-81.72.717762.70000113.9P438 R608 M612 G613P438-T440 PolarHBondContact O-N 2.86Å; T440-R608 WeakPolarHBondContact CG2-O 3.35Å; T440-M612 WeakPolarHBondContact O-CA 3.5Å; T440-G613 PolarHBondContact O-N 2.89Å
441V84.2Confident82.6Confident10 Ų1044.1 Ų44.16%0.06124%0.243CC..EExtended strand (participates in β ladder)trans-112.9107.8-178.3-179.60000109.5V437 P438 D439 H443 I603 V606 A615V437-V441 HydrophobicContact CG1-CB 3.87Å; V437-V441 HydrophobicContact CG1-CG1 4.02Å; P438-V441 HydrophobicContact CB-CG2 4.11Å; P438-V441 HydrophobicContact CG-CG2 4.18Å; P438-V441 WeakPolarHBondContact O-CB 3.41Å; P438-V441 PolarHBondContact O-N 3.41Å; D439-V441 PolarHBondContact O-N 3.23Å; V441-H443 HydrophobicContact CG1-CB 4.37Å; V441-I603 HydrophobicContact CG1-CB 4.13Å; V441-I603 HydrophobicContact CG1-CD1 4.24Å; V441-I603 HydrophobicContact CG1-CG1 4.31Å; V441-V606 HydrophobicContact CB-CG2 4.32Å; V441-V606 HydrophobicContact CG1-CG2 3.7Å; V441-V606 HydrophobicContact CG2-CG2 4.02Å; V441-A615 HydrophobicContact CG1-CB 4.45Å
442H88.2Confident83.5Confident36 Ų3645.4 Ų45.417%0.16726%0.255CS..EExtended strand (participates in β ladder)trans-83.9120.5163.2-174.4-173.8000108.3M612 G613 L614 A615 V679 Y690H442-M612 HydrophobicContact CB-CE 4.25Å; H442-G613 PolarHBondContact N-O 3.09Å; H442-L614 HydrophobicContact CB-CD1 4.39Å; H442-L614 CarbonylContact O-C 3.54Å; H442-L614 VanDerWaalsContact O-CA 3.31Å; H442-L614 WeakPolarHBondContact O-CA 3.22Å; H442-A615 PolarHBondContact O-N 3.49Å; H442-V679 WeakPolarHBondContact CE1-CG1 3.25Å; H442-Y690 HydrophobicContact CB-CE1 4.11Å; H442-Y690 AromaticContact ND1-CZ 3.81Å; H442-Y690 PolarHBondContact ND1-OH 3.29Å
443H93.2Very high84.9Confident25 Ų2545 Ų4512%0.11626%0.255CS..EExtended strand (participates in β ladder)trans-122.9140.2178.667.9167.4000112.2V441 Y599 I603 A615V441-H443 HydrophobicContact CG1-CB 4.37Å; H443-Y599 AromaticContact ND1-CE1 3.69Å; H443-Y599 AromaticContact ND1-CZ 3.91Å; H443-Y599 PolarHBondContact ND1-OH 3.44Å; H443-I603 HydrophobicContact CB-CD1 4.28Å; H443-I603 WeakPolarHBondContact ND1-CD1 3.5Å; H443-A615 CarbonylContact C-O 3.59Å; H443-A615 VanDerWaalsContact CA-O 3.28Å; H443-A615 WeakPolarHBondContact CA-O 3.29Å; H443-A615 HydrophobicContact CB-CB 4.01Å
444V95.4Very high86.3Confident1 Ų148.7 Ų48.71%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-138.8155.3-177.8-630000111.8L614 A615 I616 S617 S671 V673 V679V444-L614 HydrophobicContact CG2-CD1 4.34Å; V444-A615 PolarHBondContact N-O 3.23Å; V444-I616 HydrophobicContact CG2-CB 4.4Å; V444-I616 HydrophobicContact CG2-CG1 3.97Å; V444-I616 HydrophobicContact CG2-CG2 4.47Å; V444-S617 PolarHBondContact O-N 3.35Å; V444-S671 CarbonylContact C-O 3.56Å; V444-S671 WeakPolarHBondContact CA-O 3.42Å; V444-V673 HydrophobicContact CB-CG2 3.81Å; V444-V673 HydrophobicContact CG1-CG2 3.85Å; V444-V673 HydrophobicContact CG2-CG2 4.16Å; V444-V679 HydrophobicContact CG1-CG1 4.01Å; V444-V679 HydrophobicContact CG2-CG2 3.91Å
445V97.5Very high87.9Confident2 Ų242.3 Ų42.31%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-107.2132.5172.5164.50000109.8S617 V619 L659 I670 S671 Q672 V673V445-S617 CarbonylContact C-O 3.57Å; V445-S617 WeakPolarHBondContact CA-O 3.21Å; V445-V619 HydrophobicContact CB-CG2 4.4Å; V445-V619 HydrophobicContact CG1-CB 3.87Å; V445-V619 HydrophobicContact CG1-CG2 3.56Å; V445-V619 HydrophobicContact CG2-CG2 4.08Å; V445-L659 HydrophobicContact CG1-CD2 4.11Å; V445-L659 HydrophobicContact CG2-CD1 3.73Å; V445-L659 HydrophobicContact CG2-CD2 4.25Å; V445-I670 HydrophobicContact CB-CG2 4.46Å; V445-I670 HydrophobicContact CG2-CB 4.15Å; V445-I670 HydrophobicContact CG2-CG2 3.8Å; V445-S671 PolarHBondContact N-O 3.23Å; V445-Q672 HydrophobicContact CB-CG 4.36Å; V445-Q672 HydrophobicContact CG1-CG 4.34Å; V445-Q672 CarbonylContact O-C 3.58Å; V445-Q672 VanDerWaalsContact O-CA 3.28Å; V445-Q672 WeakPolarHBondContact O-CA 3.35Å; V445-V673 PolarHBondContact O-N 3.21Å
446V98Very high89.2Confident0 Ų042 Ų420%022%0.224CC..EExtended strand (participates in β ladder)trans-110.7110.2169.3-178.60000107.8V448 Y496 I616 S617 L618 V619 V673 I677V446-V448 PolarHBondContact O-N 2.97Å; V446-Y496 HydrophobicContact CG1-CD2 3.8Å; V446-Y496 HydrophobicContact CG1-CE2 3.93Å; V446-I616 HydrophobicContact CG2-CG2 3.82Å; V446-S617 PolarHBondContact N-O 3.36Å; V446-L618 HydrophobicContact CB-CD2 3.95Å; V446-L618 HydrophobicContact CG1-CD2 4.43Å; V446-L618 HydrophobicContact CG2-CD2 4.4Å; V446-V619 PolarHBondContact O-N 2.87Å; V446-V673 HydrophobicContact CG2-CB 4.3Å; V446-I677 HydrophobicContact CG1-CD1 4.48Å; V446-I677 HydrophobicContact CG1-CG1 4.13Å; V446-I677 HydrophobicContact CG2-CG1 4.24Å; V446-I677 HydrophobicContact CG2-CG2 4.15Å
447P97.7Very high90.2Very high31 Ų3141.6 Ų41.620%0.20121%0.214CC..EExtended strand (participates in β ladder)trans-68.9126.7177.227.7-31000110.2V619 T621 V673P447-V619 CarbonylContact C-O 3.47Å; P447-V619 WeakPolarHBondContact CA-O 3.46Å; P447-T621 HydrophobicContact CB-CG2 3.75Å; P447-V673 VanDerWaalsContact CD-O 3.29Å; P447-V673 WeakPolarHBondContact CD-O 3.28Å
448V98.2Very high90.7Very high0 Ų050.1 Ų50.10%024%0.243CC..EExtended strand (participates in β ladder)trans-99.6106.8175.1-1710000107.9V446 I489 L492 K493 Y496 L618 V619 T621V446-V448 PolarHBondContact O-N 2.97Å; V448-I489 HydrophobicContact CB-CG2 4.45Å; V448-I489 HydrophobicContact CG1-CG1 4.49Å; V448-I489 HydrophobicContact CG1-CG2 4.04Å; V448-L492 HydrophobicContact CG1-CB 3.59Å; V448-L492 HydrophobicContact CG1-CD1 4.02Å; V448-L492 HydrophobicContact CG1-CG 4.49Å; V448-K493 HydrophobicContact CG1-CG 4.39Å; V448-K493 HydrophobicContact CG2-CG 4.09Å; V448-Y496 HydrophobicContact CB-CE2 4.4Å; V448-Y496 HydrophobicContact CG1-CE2 4.34Å; V448-Y496 HydrophobicContact CG2-CD2 3.8Å; V448-Y496 HydrophobicContact CG2-CE2 3.94Å; V448-L618 HydrophobicContact CG2-CB 4.01Å; V448-V619 PolarHBondContact N-O 3.39Å; V448-T621 PolarHBondContact O-N 3.29Å; V448-T621 PolarHBondContact O-OG1 3.37Å
449N97.1Very high91.6Very high40 Ų4049.9 Ų49.921%0.21424%0.24CC..  trans-120.1108.4-178.4-172.5-26.9000111.3K451 T452 D453 T621N449-K451 PolarHBondContact O-N 3.13Å; N449-K451 WeakPolarHBondContact OD1-CA 3.33Å; N449-K451 VanDerWaalsContact OD1-CB 3.28Å; N449-K451 WeakPolarHBondContact OD1-CB 3.28Å; N449-K451 PolarHBondContact OD1-N 3.27Å; N449-T452 WeakPolarHBondContact CB-OG1 3.37Å; N449-T452 PolarHBondContact O-N 2.99Å; N449-T452 PolarHBondContact O-OG1 3.16Å; N449-T452 PolarHBondContact OD1-N 2.82Å; N449-D453 PolarHBondContact O-N 3.46Å; N449-T621 WeakPolarHBondContact CA-OG1 3.45Å; N449-T621 HydrophobicContact CB-CG2 4.11Å; N449-T621 WeakPolarHBondContact CB-OG1 3.36Å
450P95.3Very high92.1Very high0 Ų044.9 Ų44.90%023%0.225CC..THydrogen-bonded Turntrans-74.4-12.2-175.935.2-39000113.2W456 W485 A488 I489 L492 E622P450-W456 PolarHBondContact O-NE1 3.5Å; P450-W485 HydrophobicContact CB-CE3 3.89Å; P450-W485 HydrophobicContact CB-CZ3 4.49Å; P450-W485 HydrophobicContact CG-CB 3.99Å; P450-W485 HydrophobicContact CG-CD2 4.34Å; P450-W485 HydrophobicContact CG-CE3 3.78Å; P450-W485 HydrophobicContact CG-CG 4.46Å; P450-A488 HydrophobicContact CB-CB 3.59Å; P450-I489 HydrophobicContact CB-CG1 4.07Å; P450-I489 HydrophobicContact CG-CD1 3.92Å; P450-I489 HydrophobicContact CG-CG1 3.66Å; P450-L492 HydrophobicContact CB-CD1 4.12Å; P450-E622 HydrophobicContact CG-CG 4.24Å
451K93.9Very high92.5Very high90 Ų9052.6 Ų52.639%0.39126%0.256SS..THydrogen-bonded Turntrans-82.6-34178.1-60173.6178.51640111.5N449 W485 E622N449-K451 PolarHBondContact O-N 3.13Å; N449-K451 WeakPolarHBondContact OD1-CA 3.33Å; N449-K451 VanDerWaalsContact OD1-CB 3.28Å; N449-K451 WeakPolarHBondContact OD1-CB 3.28Å; N449-K451 PolarHBondContact OD1-N 3.27Å; K451-W485 HydrophobicContact CG-CD2 4.2Å; K451-W485 HydrophobicContact CG-CE3 4.1Å; K451-W485 HydrophobicContact CG-CH2 4.01Å; K451-W485 HydrophobicContact CG-CZ2 4.1Å; K451-W485 HydrophobicContact CG-CZ3 4Å; K451-E622 VanDerWaalsContact CE-CD 3.47Å; K451-E622 VanDerWaalsContact CE-OE1 3.28Å; K451-E622 WeakPolarHBondContact CE-OE1 3.36Å; K451-E622 IonicContact NZ-OE1 2.74Å; K451-E622 PolarHBondContact NZ-OE1 3.46Å; K451-E622 IonicContact NZ-OE2 2.84Å; K451-E622 PolarHBondContact NZ-OE2 2.87Å
452T93.7Very high92.7Very high108 Ų10858.3 Ų58.366%0.66329%0.286SS*.THydrogen-bonded Turntrans-94.6-39.817957.10000112.3N449N449-T452 WeakPolarHBondContact CB-OG1 3.37Å; N449-T452 PolarHBondContact O-N 2.99Å; N449-T452 PolarHBondContact O-OG1 3.16Å; N449-T452 PolarHBondContact OD1-N 2.82Å
453D94.7Very high93Very high26 Ų2658.7 Ų58.714%0.13929%0.288CS..  trans-93.8100.8173.2-168.9-14.1000110.7N449 L455 W456 L492 Y496N449-D453 PolarHBondContact O-N 3.46Å; D453-L455 VanDerWaalsContact C-N 3.31Å; D453-L455 WeakPolarHBondContact OD1-CB 2.88Å; D453-L455 PolarHBondContact OD1-N 2.88Å; D453-W456 PolarHBondContact O-NE1 3.4Å; D453-L492 HydrophobicContact CB-CD1 4.21Å; D453-L492 HydrophobicContact CB-CD2 4.34Å; D453-Y496 VanDerWaalsContact OD2-CE1 3.24Å; D453-Y496 WeakPolarHBondContact OD2-CE1 3.39Å; D453-Y496 PolarHBondContact OD2-OH 2.76Å
454R92.4Very high93.1Very high117 Ų11758.2 Ų58.244%0.44229%0.286SS..  trans-90.717.2177.2-64.7-170.3177.1-124.46.3113.8W456 E457R454-W456 PolarHBondContact O-N 2.74Å; R454-E457 HydrophobicContact CB-CG 4.47Å; R454-E457 IonicContact CZ-OE1 2.71Å; R454-E457 IonicContact NH1-OE1 2.63Å; R454-E457 PolarHBondContact NH1-OE1 3.03Å; R454-E457 IonicContact NH1-OE2 3.01Å; R454-E457 PolarHBondContact O-N 2.92Å
455L93.2Very high93.1Very high46 Ų4665.1 Ų65.124%0.24131%0.312CS..Hα-helixtrans-55.2-39.6177177.362.3000111.5D453 E457 R458 L459 L492 E495D453-L455 VanDerWaalsContact C-N 3.31Å; D453-L455 WeakPolarHBondContact OD1-CB 2.88Å; D453-L455 PolarHBondContact OD1-N 2.88Å; L455-E457 PolarHBondContact O-N 2.91Å; L455-R458 PolarHBondContact O-N 3.16Å; L455-L459 HydrophobicContact CD1-CD2 4.09Å; L455-L459 HydrophobicContact CD1-CG 4.3Å; L455-L459 HydrophobicContact CG-CD1 4.2Å; L455-L459 HydrophobicContact CG-CD2 4.23Å; L455-L459 HydrophobicContact CG-CG 4.13Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.05Å; L455-L492 HydrophobicContact CB-CD2 4.05Å; L455-E495 HydrophobicContact CD2-CB 4.26Å; L455-E495 HydrophobicContact CD2-CG 4.11Å
456W92.7Very high92.9Very high18 Ų1865.6 Ų65.67%0.06832%0.315CS..Hα-helixtrans-56-32.3179.865.8-89.9000113.7P450 D453 R454 R458 P477 M484 W485 A488 I491 L492P450-W456 PolarHBondContact O-NE1 3.5Å; D453-W456 PolarHBondContact O-NE1 3.4Å; R454-W456 PolarHBondContact O-N 2.74Å; W456-R458 VanDerWaalsContact C-N 3.29Å; W456-R458 PolarHBondContact O-N 2.87Å; W456-P477 HydrophobicContact CH2-CB 4.33Å; W456-P477 HydrophobicContact CH2-CG 4.5Å; W456-P477 HydrophobicContact CZ3-CB 4.34Å; W456-P477 HydrophobicContact CZ3-CG 4.02Å; W456-M484 HydrophobicContact CH2-CE 4.3Å; W456-M484 HydrophobicContact CH2-CG 3.95Å; W456-M484 HydrophobicContact CH2-SD 3.96Å; W456-M484 HydrophobicContact CZ2-CE 4.48Å; W456-M484 HydrophobicContact CZ3-CG 4.46Å; W456-W485 HydrophobicContact CZ2-CZ3 4.05Å; W456-A488 HydrophobicContact CB-CB 4.49Å; W456-A488 HydrophobicContact CD2-CB 3.46Å; W456-A488 VanDerWaalsContact CD2-CB 3.46Å; W456-A488 HydrophobicContact CE3-CB 3.89Å; W456-A488 HydrophobicContact CG-CB 3.73Å; W456-A488 HydrophobicContact CH2-CB 4.38Å; W456-A488 HydrophobicContact CZ2-CB 4.03Å; W456-A488 HydrophobicContact CZ3-CB 4.32Å; W456-I491 HydrophobicContact CB-CB 4.24Å; W456-I491 HydrophobicContact CB-CG2 3.77Å; W456-L492 HydrophobicContact CB-CD2 4.24Å; W456-L492 HydrophobicContact CB-CG 4.22Å
457E91.6Very high92.7Very high64 Ų6465.9 Ų65.930%0.29932%0.316SS..Hα-helixtrans-68.8-29.5175.9-61.1179.7174.800112R454 L455 P477R454-E457 HydrophobicContact CB-CG 4.47Å; R454-E457 IonicContact CZ-OE1 2.71Å; R454-E457 IonicContact NH1-OE1 2.63Å; R454-E457 PolarHBondContact NH1-OE1 3.03Å; R454-E457 IonicContact NH1-OE2 3.01Å; R454-E457 PolarHBondContact O-N 2.92Å; L455-E457 PolarHBondContact O-N 2.91Å; E457-P477 HydrophobicContact CG-CB 4.31Å
458R89.7Confident92.5Very high209 Ų20967.7 Ų67.779%0.78932%0.324SS*.Hα-helixtrans-93-17.2-172-59.3179.7-174.71731.9113.6L455 W456 G460L455-R458 PolarHBondContact O-N 3.16Å; W456-R458 VanDerWaalsContact C-N 3.29Å; W456-R458 PolarHBondContact O-N 2.87Å; R458-G460 PolarHBondContact O-N 3.02Å
459L89.7Confident92.4Very high31 Ų3167.7 Ų67.716%0.16232%0.324CS..SBendtrans-69.8-18.9-177.9-67.5168.1000113.1L455 K461 N462 H463 I491 E495L455-L459 HydrophobicContact CD1-CD2 4.09Å; L455-L459 HydrophobicContact CD1-CG 4.3Å; L455-L459 HydrophobicContact CG-CD1 4.2Å; L455-L459 HydrophobicContact CG-CD2 4.23Å; L455-L459 HydrophobicContact CG-CG 4.13Å; L455-L459 WeakPolarHBondContact O-CG 3.31Å; L455-L459 PolarHBondContact O-N 3.05Å; L459-K461 PolarHBondContact O-N 3.44Å; L459-N462 WeakPolarHBondContact O-CB 3.39Å; L459-N462 PolarHBondContact O-N 2.83Å; L459-H463 HydrophobicContact CB-CB 4.04Å; L459-H463 HydrophobicContact CD1-CB 3.82Å; L459-I491 HydrophobicContact CD1-CG2 3.77Å; L459-E495 HydrophobicContact CD1-CG 3.57Å
460G83.3Confident92.4Very high52 Ų5266 Ų6654%0.53632%0.315SS..THydrogen-bonded Turntrans61-120.6-178.100000111.1R458 H463R458-G460 PolarHBondContact O-N 3.02Å; G460-H463 PolarHBondContact O-CD2 3.16Å; G460-H463 PolarHBondContact O-NE2 3.12Å
461K83Confident92.2Very high199 Ų19969.6 Ų69.687%0.86535%0.345SS*.THydrogen-bonded Turntrans-94.7-2.2174.4-65.4-175.9179.3-179.10113.6L459 H463L459-K461 PolarHBondContact O-N 3.44Å; K461-H463 VanDerWaalsContact C-N 3.28Å; K461-H463 PolarHBondContact O-N 2.97Å
462N89Confident92.1Very high129 Ų12972.4 Ų72.469%0.6936%0.357SS*.  trans-93.255.3-173.9-62.9-16.5000110.5L459L459-N462 WeakPolarHBondContact O-CB 3.39Å; L459-N462 PolarHBondContact O-N 2.83Å
463H93.1Very high92.1Very high45 Ų4569 Ų6921%0.20834%0.335CS..SBendtrans-136.516817765.674.5000111.1L459 G460 K461 I491L459-H463 HydrophobicContact CB-CB 4.04Å; L459-H463 HydrophobicContact CD1-CB 3.82Å; G460-H463 PolarHBondContact O-CD2 3.16Å; G460-H463 PolarHBondContact O-NE2 3.12Å; K461-H463 VanDerWaalsContact C-N 3.28Å; K461-H463 PolarHBondContact O-N 2.97Å; H463-I491 HydrophobicContact CB-CG2 3.81Å
464I96.1Very high91.9Very high14 Ų1472.5 Ų72.57%0.07235%0.354CS..PPolyproline II helixtrans-54.9137.5174-174.6160.7000111.4N521 L522 Y525I464-N521 HydrophobicContact CD1-CB 4.5Å; I464-N521 HydrophobicContact CG1-CB 4.33Å; I464-L522 HydrophobicContact CD1-CB 4.19Å; I464-L522 HydrophobicContact CD1-CD1 3.8Å; I464-Y525 HydrophobicContact CB-CD1 3.88Å; I464-Y525 HydrophobicContact CB-CD2 4.12Å; I464-Y525 HydrophobicContact CB-CE1 4.41Å; I464-Y525 HydrophobicContact CB-CG 3.74Å; I464-Y525 HydrophobicContact CD1-CD1 4.37Å; I464-Y525 HydrophobicContact CD1-CG 4.46Å; I464-Y525 HydrophobicContact CG1-CD1 4.44Å; I464-Y525 HydrophobicContact CG1-CG 4.17Å
465R94.7Very high91.8Very high147 Ų14768.4 Ų68.456%0.55534%0.342SS*.PPolyproline II helixtrans-67.1136.6171.4-174.6-177.1174.3-179.4-3.4109.8D468 N521R465-D468 IonicContact CZ-OD2 3.02Å; R465-D468 IonicContact NE-OD2 3.98Å; R465-D468 IonicContact NH2-OD1 3.75Å; R465-D468 IonicContact NH2-OD2 3.92Å; R465-D468 PolarHBondContact NH2-OD2 3.2Å; R465-N521 WeakPolarHBondContact O-CB 2.97Å; R465-N521 PolarHBondContact O-ND2 3.23Å; R465-N521 VanDerWaalsContact O-ND2 3.07Å
466T93.8Very high91.5Very high12 Ų1275.3 Ų75.37%0.07437%0.365CS..PPolyproline II helixtrans-86.3170.117558.70000111.4D468 E487 K490 I491 N521T466-D468 PolarHBondContact O-N 3.23Å; T466-D468 VanDerWaalsContact O-N 3.1Å; T466-E487 HydrophobicContact CG2-CG 4.03Å; T466-E487 PolarHBondContact OG1-OE1 3.48Å; T466-K490 HydrophobicContact CG2-CB 3.86Å; T466-I491 HydrophobicContact CG2-CG1 3.99Å; T466-N521 VanDerWaalsContact C-ND2 3.35Å; T466-N521 PolarHBondContact O-ND2 3.15Å
467D93.3Very high91.1Very high5 Ų578.6 Ų78.63%0.02739%0.388CS..  trans-77.315.7-175.162.9-14.2000114.3V469 I517 W627D467-V469 PolarHBondContact O-N 2.89Å; D467-V469 WeakPolarHBondContact OD1-CG1 3.38Å; D467-V469 PolarHBondContact OD1-N 3.46Å; D467-I517 HydrophobicContact CB-CG2 3.97Å; D467-W627 PolarHBondContact O-NE1 2.76Å; D467-W627 VanDerWaalsContact OD2-CD1 3.28Å
468D94.3Very high90.8Very high70 Ų7077.9 Ų77.937%0.37440%0.398SS..SBendtrans57.211.7-177.9-62.8-39.3000114.6R465 T466 H470 A471R465-D468 IonicContact CZ-OD2 3.02Å; R465-D468 IonicContact NE-OD2 3.98Å; R465-D468 IonicContact NH2-OD1 3.75Å; R465-D468 IonicContact NH2-OD2 3.92Å; R465-D468 PolarHBondContact NH2-OD2 3.2Å; T466-D468 PolarHBondContact O-N 3.23Å; T466-D468 VanDerWaalsContact O-N 3.1Å; D468-H470 PolarHBondContact O-N 3.12Å; D468-A471 HydrophobicContact CB-CB 4.34Å; D468-A471 VanDerWaalsContact O-CB 3.26Å; D468-A471 WeakPolarHBondContact O-CB 3.47Å; D468-A471 PolarHBondContact O-N 2.84Å; D468-A471 VanDerWaalsContact O-N 3.1Å
469V95.9Very high90.7Very high0 Ų069.8 Ų69.80%038%0.376CS..THydrogen-bonded Turntrans-61.9-26.7176.877.90000111.9D467 K625 W627 T641 T650D467-V469 PolarHBondContact O-N 2.89Å; D467-V469 WeakPolarHBondContact OD1-CG1 3.38Å; D467-V469 PolarHBondContact OD1-N 3.46Å; V469-K625 WeakPolarHBondContact CG1-O 3.49Å; V469-K625 HydrophobicContact CG2-CG 4.22Å; V469-W627 HydrophobicContact CB-CD2 4.44Å; V469-W627 HydrophobicContact CB-CZ2 4.26Å; V469-W627 HydrophobicContact CG2-CD2 4.07Å; V469-W627 HydrophobicContact CG2-CG 4.36Å; V469-W627 HydrophobicContact CG2-CZ2 4.3Å; V469-T641 WeakPolarHBondContact O-CB 3.12Å; V469-T641 WeakPolarHBondContact O-CG2 3.3Å; V469-T650 HydrophobicContact CG2-CG2 3.39Å
470H96Very high90.6Very high3 Ų373.4 Ų73.41%0.01440%0.395CS..THydrogen-bonded Turntrans-95.75.2179.7-62.8-61.5000114.2D468 K472 D473 T475 E483 S486 E487D468-H470 PolarHBondContact O-N 3.12Å; H470-K472 PolarHBondContact O-N 2.93Å; H470-D473 HydrophobicContact CB-CB 4.34Å; H470-D473 IonicContact CE1-OD2 2.76Å; H470-D473 IonicContact CG-OD2 3.96Å; H470-D473 IonicContact ND1-OD2 3.86Å; H470-D473 PolarHBondContact ND1-OD2 3.02Å; H470-D473 PolarHBondContact O-N 3Å; H470-T475 HydrophobicContact CB-CG2 3.91Å; H470-E483 PolarHBondContact CE1-O 2.95Å; H470-S486 VanDerWaalsContact CE1-CB 3.43Å; H470-S486 WeakPolarHBondContact CE1-CB 3.5Å; H470-S486 PolarHBondContact CE1-OG 2.93Å; H470-S486 WeakPolarHBondContact NE2-CB 3.29Å; H470-S486 PolarHBondContact NE2-OG 2.95Å; H470-E487 HydrophobicContact CB-CB 4.42Å; H470-E487 PolarHBondContact NE2-N 3.19Å
471A92.1Very high91.2Very high77 Ų7772 Ų7264%0.63638%0.377SS*.THydrogen-bonded Turntrans-59.7-16.9-174.800000114.8D468D468-A471 HydrophobicContact CB-CB 4.34Å; D468-A471 VanDerWaalsContact O-CB 3.26Å; D468-A471 WeakPolarHBondContact O-CB 3.47Å; D468-A471 PolarHBondContact O-N 2.84Å; D468-A471 VanDerWaalsContact O-N 3.1Å
472K92.9Very high91.8Very high148 Ų14866 Ų6664%0.64336%0.359SS*.THydrogen-bonded Turntrans-110.6-1.5176.4-64.6178.8179.3164.10113.4H470 Y639H470-K472 PolarHBondContact O-N 2.93Å; K472-Y639 PolarHBondContact NZ-O 3.37Å
473D93.2Very high92.2Very high38 Ų3862.4 Ų62.420%0.20334%0.338CS..SBendtrans-92.1157.3-178.6-59.9-24.1000109.9H470 T475 E483 K625H470-D473 HydrophobicContact CB-CB 4.34Å; H470-D473 IonicContact CE1-OD2 2.76Å; H470-D473 IonicContact CG-OD2 3.96Å; H470-D473 IonicContact ND1-OD2 3.86Å; H470-D473 PolarHBondContact ND1-OD2 3.02Å; H470-D473 PolarHBondContact O-N 3Å; D473-T475 HydrophobicContact CB-CG2 4.05Å; D473-T475 PolarHBondContact O-N 2.78Å; D473-E483 HydrophobicContact CB-CB 3.78Å; D473-E483 HydrophobicContact CB-CG 3.9Å; D473-E483 WeakPolarHBondContact OD2-CG 3.34Å; D473-K625 VanDerWaalsContact CG-NZ 3.29Å; D473-K625 IonicContact OD1-NZ 3.33Å; D473-K625 PolarHBondContact OD1-NZ 3.24Å; D473-K625 IonicContact OD2-NZ 3.97Å; D473-K625 PolarHBondContact OD2-NZ 3.28Å
474N89.1Confident92.3Very high99 Ų9960.3 Ų60.353%0.52933%0.328SS..  trans-91.697.1170.918027.1000110R476 S481N474-R476 WeakPolarHBondContact OD1-CG 3.42Å; N474-S481 PolarHBondContact O-OG 3.14Å
475T91Very high92.3Very high31 Ų3160.8 Ų60.819%0.1933%0.329CS..  trans-108.218.6-17656.80000113.6H470 D473 E483 E487H470-T475 HydrophobicContact CB-CG2 3.91Å; D473-T475 HydrophobicContact CB-CG2 4.05Å; D473-T475 PolarHBondContact O-N 2.78Å; T475-E483 HydrophobicContact CG2-CB 4.35Å; T475-E487 WeakPolarHBondContact CB-OE2 3.08Å; T475-E487 HydrophobicContact CG2-CB 4.07Å; T475-E487 VanDerWaalsContact CG2-OE2 3.25Å; T475-E487 WeakPolarHBondContact CG2-OE2 3.17Å; T475-E487 PolarHBondContact OG1-OE2 2.95Å
476R87.4Confident92.5Very high191 Ų19153.8 Ų53.872%0.72130%0.302SS*.  trans-58.9141.3177.7-66178.2-175.9-169.62110.9N474 G478 A479N474-R476 WeakPolarHBondContact OD1-CG 3.42Å; R476-G478 PolarHBondContact O-N 2.87Å; R476-A479 VanDerWaalsContact O-CB 3.29Å; R476-A479 WeakPolarHBondContact O-CB 3.36Å; R476-A479 PolarHBondContact O-N 2.8Å
477P83.9Confident92.6Very high87 Ų8754.9 Ų54.957%0.56531%0.307SS*.THydrogen-bonded Turntrans-49.9128.1172.2-27.834.6000111.9W456 E457W456-P477 HydrophobicContact CH2-CB 4.33Å; W456-P477 HydrophobicContact CH2-CG 4.5Å; W456-P477 HydrophobicContact CZ3-CB 4.34Å; W456-P477 HydrophobicContact CZ3-CG 4.02Å; E457-P477 HydrophobicContact CG-CB 4.31Å
478G85.3Confident92.7Very high49 Ų4954.7 Ų54.751%0.50531%0.306SS..THydrogen-bonded Turntrans93.1-4.7-177.800000116R476 N480R476-G478 PolarHBondContact O-N 2.87Å; G478-N480 PolarHBondContact O-N 2.86Å
479A86.8Confident92.9Very high39 Ų3951.4 Ų51.432%0.32229%0.288SS..  trans-63.4-24.8174.800000113.3R476 S481 M484R476-A479 VanDerWaalsContact O-CB 3.29Å; R476-A479 WeakPolarHBondContact O-CB 3.36Å; R476-A479 PolarHBondContact O-N 2.8Å; A479-S481 PolarHBondContact O-N 2.98Å; A479-S481 VanDerWaalsContact O-N 3.11Å; A479-M484 HydrophobicContact CB-CB 4.44Å; A479-M484 HydrophobicContact CB-SD 3.89Å; A479-M484 PolarHBondContact N-SD 3.2Å; A479-M484 VanDerWaalsContact N-SD 3.4Å
480N89.4Confident93Very high106 Ų10652.4 Ų52.457%0.56729%0.293SS*.  trans52.230.1179.4-65-35.2000114G478 M484 W485G478-N480 PolarHBondContact O-N 2.86Å; N480-M484 VanDerWaalsContact N-CE 3.33Å; N480-M484 PolarHBondContact N-SD 3.42Å; N480-M484 VanDerWaalsContact N-SD 3.42Å; N480-W485 HydrophobicContact CB-CZ2 4.26Å; N480-W485 WeakPolarHBondContact OD1-CZ2 3.26Å
481S94.7Very high93Very high23 Ų2352.7 Ų52.716%0.16129%0.294CS..  trans-95.2154.6179.4600000112.2N474 A479 E483 M484 W485N474-S481 PolarHBondContact O-OG 3.14Å; A479-S481 PolarHBondContact O-N 2.98Å; A479-S481 VanDerWaalsContact O-N 3.11Å; S481-E483 PolarHBondContact O-N 3.39Å; S481-M484 WeakPolarHBondContact O-CB 3.15Å; S481-M484 PolarHBondContact O-N 3.11Å; S481-M484 VanDerWaalsContact O-N 3.14Å; S481-M484 WeakPolarHBondContact OG-CB 3.49Å; S481-M484 PolarHBondContact OG-N 2.8Å; S481-W485 PolarHBondContact O-N 3.25Å; S481-W485 VanDerWaalsContact O-N 3.07Å
482P96.1Very high93.3Very high74 Ų7449 Ų4948%0.48126%0.264SS..Hα-helixtrans-51.8-38.4170.7-27.937000113.2W485 S486 W652P482-W485 PolarHBondContact O-N 3.07Å; P482-S486 WeakPolarHBondContact O-CB 3.34Å; P482-S486 PolarHBondContact O-N 2.91Å; P482-W652 HydrophobicContact CB-CH2 3.41Å; P482-W652 VanDerWaalsContact CB-CH2 3.41Å; P482-W652 HydrophobicContact CB-CZ2 3.89Å; P482-W652 HydrophobicContact CB-CZ3 4.04Å
483E97.1Very high93.5Very high53 Ų5342.2 Ų42.225%0.24823%0.234CC..Hα-helixtrans-66.6-40.6178.8-65.674.9-168.100112.1H470 D473 T475 S481 S486 E487 K625 W652H470-E483 PolarHBondContact CE1-O 2.95Å; D473-E483 HydrophobicContact CB-CB 3.78Å; D473-E483 HydrophobicContact CB-CG 3.9Å; D473-E483 WeakPolarHBondContact OD2-CG 3.34Å; T475-E483 HydrophobicContact CG2-CB 4.35Å; S481-E483 PolarHBondContact O-N 3.39Å; E483-S486 PolarHBondContact O-N 3.5Å; E483-E487 PolarHBondContact O-N 3.2Å; E483-K625 HydrophobicContact CG-CD 4.4Å; E483-W652 HydrophobicContact CG-CH2 4.32Å
484M95.4Very high93.7Very high1 Ų140.5 Ų40.51%0.00523%0.225CC..Hα-helixtrans-63.4-44.8174.8-177.5-165.975.800110.9W456 A479 N480 S481 S486 E487 A488W456-M484 HydrophobicContact CH2-CE 4.3Å; W456-M484 HydrophobicContact CH2-CG 3.95Å; W456-M484 HydrophobicContact CH2-SD 3.96Å; W456-M484 HydrophobicContact CZ2-CE 4.48Å; W456-M484 HydrophobicContact CZ3-CG 4.46Å; A479-M484 HydrophobicContact CB-CB 4.44Å; A479-M484 HydrophobicContact CB-SD 3.89Å; A479-M484 PolarHBondContact N-SD 3.2Å; A479-M484 VanDerWaalsContact N-SD 3.4Å; N480-M484 VanDerWaalsContact N-CE 3.33Å; N480-M484 PolarHBondContact N-SD 3.42Å; N480-M484 VanDerWaalsContact N-SD 3.42Å; S481-M484 WeakPolarHBondContact O-CB 3.15Å; S481-M484 PolarHBondContact O-N 3.11Å; S481-M484 VanDerWaalsContact O-N 3.14Å; S481-M484 WeakPolarHBondContact OG-CB 3.49Å; S481-M484 PolarHBondContact OG-N 2.8Å; M484-S486 VanDerWaalsContact C-N 3.33Å; M484-S486 PolarHBondContact O-N 3.43Å; M484-E487 PolarHBondContact O-N 2.8Å; M484-A488 VanDerWaalsContact O-CB 3.3Å; M484-A488 WeakPolarHBondContact O-CB 3.48Å; M484-A488 PolarHBondContact O-N 3.41Å
485W96.3Very high94.1Very high23 Ų2336.9 Ų36.99%0.08721%0.205CC..Hα-helixtrans-63.3-41.1177.7-59.5131000111.9P450 K451 W456 N480 S481 P482 A488 I489 E622P450-W485 HydrophobicContact CB-CE3 3.89Å; P450-W485 HydrophobicContact CB-CZ3 4.49Å; P450-W485 HydrophobicContact CG-CB 3.99Å; P450-W485 HydrophobicContact CG-CD2 4.34Å; P450-W485 HydrophobicContact CG-CE3 3.78Å; P450-W485 HydrophobicContact CG-CG 4.46Å; K451-W485 HydrophobicContact CG-CD2 4.2Å; K451-W485 HydrophobicContact CG-CE3 4.1Å; K451-W485 HydrophobicContact CG-CH2 4.01Å; K451-W485 HydrophobicContact CG-CZ2 4.1Å; K451-W485 HydrophobicContact CG-CZ3 4Å; W456-W485 HydrophobicContact CZ2-CZ3 4.05Å; N480-W485 HydrophobicContact CB-CZ2 4.26Å; N480-W485 WeakPolarHBondContact OD1-CZ2 3.26Å; S481-W485 PolarHBondContact O-N 3.25Å; S481-W485 VanDerWaalsContact O-N 3.07Å; P482-W485 PolarHBondContact O-N 3.07Å; W485-A488 PolarHBondContact O-N 2.78Å; W485-I489 WeakPolarHBondContact O-CD1 3.23Å; W485-I489 VanDerWaalsContact O-CG1 3.28Å; W485-I489 WeakPolarHBondContact O-CG1 3.48Å; W485-I489 PolarHBondContact O-N 3.1Å; W485-E622 HydrophobicContact CB-CB 4.39Å; W485-E622 HydrophobicContact CB-CG 4.38Å
486S97.6Very high94.4Very high0 Ų035.4 Ų35.40%020%0.196CC..Hα-helixtrans-59.5-48.8174.3173.70000112.2H470 P482 E483 M484 A488 I489 K490 E624 K625H470-S486 VanDerWaalsContact CE1-CB 3.43Å; H470-S486 WeakPolarHBondContact CE1-CB 3.5Å; H470-S486 PolarHBondContact CE1-OG 2.93Å; H470-S486 WeakPolarHBondContact NE2-CB 3.29Å; H470-S486 PolarHBondContact NE2-OG 2.95Å; P482-S486 WeakPolarHBondContact O-CB 3.34Å; P482-S486 PolarHBondContact O-N 2.91Å; E483-S486 PolarHBondContact O-N 3.5Å; M484-S486 VanDerWaalsContact C-N 3.33Å; M484-S486 PolarHBondContact O-N 3.43Å; S486-A488 PolarHBondContact O-N 2.95Å; S486-I489 PolarHBondContact O-N 3.4Å; S486-K490 WeakPolarHBondContact O-CG 3.5Å; S486-K490 PolarHBondContact O-N 3.43Å; S486-E624 WeakPolarHBondContact OG-CA 3.28Å; S486-K625 PolarHBondContact OG-N 3.48Å; S486-K625 PolarHBondContact OG-O 3Å
487E96.3Very high94.9Very high36 Ų3626.3 Ų26.317%0.16816%0.162CC..Hα-helixtrans-65.2-41.3178.5-169165.9-140.900112T466 H470 T475 E483 M484 I489 K490 I491T466-E487 HydrophobicContact CG2-CG 4.03Å; T466-E487 PolarHBondContact OG1-OE1 3.48Å; H470-E487 HydrophobicContact CB-CB 4.42Å; H470-E487 PolarHBondContact NE2-N 3.19Å; T475-E487 WeakPolarHBondContact CB-OE2 3.08Å; T475-E487 HydrophobicContact CG2-CB 4.07Å; T475-E487 VanDerWaalsContact CG2-OE2 3.25Å; T475-E487 WeakPolarHBondContact CG2-OE2 3.17Å; T475-E487 PolarHBondContact OG1-OE2 2.95Å; E483-E487 PolarHBondContact O-N 3.2Å; M484-E487 PolarHBondContact O-N 2.8Å; E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.03Å; E487-K490 PolarHBondContact O-N 2.85Å; E487-I491 HydrophobicContact CG-CD1 4.4Å; E487-I491 WeakPolarHBondContact O-CG1 3.14Å; E487-I491 PolarHBondContact O-N 2.95Å; E487-I491 VanDerWaalsContact O-N 3.1Å
488A96.4Very high95.6Very high1 Ų122.4 Ų22.41%0.00814%0.136CC..Hα-helixtrans-58.6-40.5175.700000112.3P450 W456 M484 W485 S486 I491 L492P450-A488 HydrophobicContact CB-CB 3.59Å; W456-A488 HydrophobicContact CB-CB 4.49Å; W456-A488 HydrophobicContact CD2-CB 3.46Å; W456-A488 VanDerWaalsContact CD2-CB 3.46Å; W456-A488 HydrophobicContact CE3-CB 3.89Å; W456-A488 HydrophobicContact CG-CB 3.73Å; W456-A488 HydrophobicContact CH2-CB 4.38Å; W456-A488 HydrophobicContact CZ2-CB 4.03Å; W456-A488 HydrophobicContact CZ3-CB 4.32Å; M484-A488 VanDerWaalsContact O-CB 3.3Å; M484-A488 WeakPolarHBondContact O-CB 3.48Å; M484-A488 PolarHBondContact O-N 3.41Å; W485-A488 PolarHBondContact O-N 2.78Å; S486-A488 PolarHBondContact O-N 2.95Å; A488-I491 PolarHBondContact O-N 2.92Å; A488-L492 WeakPolarHBondContact O-CG 3.47Å; A488-L492 PolarHBondContact O-N 2.7Å
489I97.6Very high96.1Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-63.4-43.9175.7-71.7160.2000111.3V448 P450 W485 S486 E487 I491 L492 K493 A620 E622 E624V448-I489 HydrophobicContact CB-CG2 4.45Å; V448-I489 HydrophobicContact CG1-CG1 4.49Å; V448-I489 HydrophobicContact CG1-CG2 4.04Å; P450-I489 HydrophobicContact CB-CG1 4.07Å; P450-I489 HydrophobicContact CG-CD1 3.92Å; P450-I489 HydrophobicContact CG-CG1 3.66Å; W485-I489 WeakPolarHBondContact O-CD1 3.23Å; W485-I489 VanDerWaalsContact O-CG1 3.28Å; W485-I489 WeakPolarHBondContact O-CG1 3.48Å; W485-I489 PolarHBondContact O-N 3.1Å; S486-I489 PolarHBondContact O-N 3.4Å; E487-I489 VanDerWaalsContact C-N 3.3Å; E487-I489 PolarHBondContact O-N 3.03Å; I489-I491 PolarHBondContact O-N 2.67Å; I489-L492 PolarHBondContact O-N 3.22Å; I489-K493 HydrophobicContact CG2-CD 3.93Å; I489-K493 HydrophobicContact CG2-CG 4.2Å; I489-K493 WeakPolarHBondContact O-CB 3.23Å; I489-K493 WeakPolarHBondContact O-CG 3.46Å; I489-K493 PolarHBondContact O-N 2.64Å; I489-A620 HydrophobicContact CD1-CB 4.13Å; I489-A620 HydrophobicContact CG2-CB 3.79Å; I489-E622 HydrophobicContact CD1-CB 3.76Å; I489-E622 HydrophobicContact CD1-CG 4.48Å; I489-E624 HydrophobicContact CB-CG 4.26Å; I489-E624 HydrophobicContact CD1-CG 4.34Å; I489-E624 HydrophobicContact CG2-CG 3.98Å; I489-E624 WeakPolarHBondContact CG2-OE1 3.46Å
490K97.4Very high96.6Very high21 Ų2121.5 Ų21.59%0.09111%0.109CC..Hα-helixtrans-58.8-40.1177.9-66-177.5-168.7-53.50111.6T466 S486 E487 G494 E624 K625T466-K490 HydrophobicContact CG2-CB 3.86Å; S486-K490 WeakPolarHBondContact O-CG 3.5Å; S486-K490 PolarHBondContact O-N 3.43Å; E487-K490 PolarHBondContact O-N 2.85Å; K490-G494 PolarHBondContact O-N 2.69Å; K490-E624 IonicContact NZ-OE2 3.39Å; K490-E624 PolarHBondContact NZ-OE2 3.1Å; K490-K625 VanDerWaalsContact CE-O 3.23Å; K490-K625 WeakPolarHBondContact CE-O 3.24Å; K490-K625 PolarHBondContact NZ-O 3.06Å
491I96.9Very high97Very high9 Ų916.4 Ų16.45%0.0468%0.082CC..Hα-helixtrans-63.5-51.8174.2-68170.1000110.9W456 L459 H463 T466 E487 A488 I489 K493 G494 E495W456-I491 HydrophobicContact CB-CB 4.24Å; W456-I491 HydrophobicContact CB-CG2 3.77Å; L459-I491 HydrophobicContact CD1-CG2 3.77Å; H463-I491 HydrophobicContact CB-CG2 3.81Å; T466-I491 HydrophobicContact CG2-CG1 3.99Å; E487-I491 HydrophobicContact CG-CD1 4.4Å; E487-I491 WeakPolarHBondContact O-CG1 3.14Å; E487-I491 PolarHBondContact O-N 2.95Å; E487-I491 VanDerWaalsContact O-N 3.1Å; A488-I491 PolarHBondContact O-N 2.92Å; I489-I491 PolarHBondContact O-N 2.67Å; I491-K493 VanDerWaalsContact C-N 3.33Å; I491-K493 PolarHBondContact O-N 3.28Å; I491-G494 PolarHBondContact O-N 3.25Å; I491-E495 PolarHBondContact O-N 3.08Å
492L97.8Very high97.1Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-61.4-38.1-179.3-72.5174.1000112.7V448 P450 D453 L455 W456 A488 I489 G494 E495 Y496V448-L492 HydrophobicContact CG1-CB 3.59Å; V448-L492 HydrophobicContact CG1-CD1 4.02Å; V448-L492 HydrophobicContact CG1-CG 4.49Å; P450-L492 HydrophobicContact CB-CD1 4.12Å; D453-L492 HydrophobicContact CB-CD1 4.21Å; D453-L492 HydrophobicContact CB-CD2 4.34Å; L455-L492 HydrophobicContact CB-CD2 4.05Å; W456-L492 HydrophobicContact CB-CD2 4.24Å; W456-L492 HydrophobicContact CB-CG 4.22Å; A488-L492 WeakPolarHBondContact O-CG 3.47Å; A488-L492 PolarHBondContact O-N 2.7Å; I489-L492 PolarHBondContact O-N 3.22Å; L492-G494 VanDerWaalsContact C-N 3.31Å; L492-G494 PolarHBondContact O-N 3.14Å; L492-E495 CarbonylContact O-C 3.56Å; L492-E495 WeakPolarHBondContact O-CB 3.49Å; L492-E495 PolarHBondContact O-N 2.82Å; L492-E495 VanDerWaalsContact O-N 3.13Å; L492-Y496 HydrophobicContact CB-CE1 4.41Å; L492-Y496 HydrophobicContact CD2-CE1 4.26Å; L492-Y496 WeakPolarHBondContact O-CB 3.49Å; L492-Y496 WeakPolarHBondContact O-CD1 3.37Å; L492-Y496 PolarHBondContact O-N 3.13Å
493K98.1Very high97Very high6 Ų620.6 Ų20.63%0.0269%0.091CC..Hα-helixtrans-59.8-39.7176.8-83.5178.1163.6177.70112.5V448 I489 I491 Y496 A497 V590 L618 E624 E655V448-K493 HydrophobicContact CG1-CG 4.39Å; V448-K493 HydrophobicContact CG2-CG 4.09Å; I489-K493 HydrophobicContact CG2-CD 3.93Å; I489-K493 HydrophobicContact CG2-CG 4.2Å; I489-K493 WeakPolarHBondContact O-CB 3.23Å; I489-K493 WeakPolarHBondContact O-CG 3.46Å; I489-K493 PolarHBondContact O-N 2.64Å; I491-K493 VanDerWaalsContact C-N 3.33Å; I491-K493 PolarHBondContact O-N 3.28Å; K493-Y496 PolarHBondContact O-N 2.76Å; K493-A497 WeakPolarHBondContact O-CB 3.47Å; K493-A497 PolarHBondContact O-N 3.17Å; K493-V590 HydrophobicContact CB-CG1 4.1Å; K493-V590 WeakPolarHBondContact CD-O 3.25Å; K493-V590 WeakPolarHBondContact CE-O 3.19Å; K493-V590 PolarHBondContact NZ-O 3.01Å; K493-L618 HydrophobicContact CB-CD1 4.38Å; K493-L618 HydrophobicContact CG-CB 4.29Å; K493-L618 HydrophobicContact CG-CD1 4.36Å; K493-L618 WeakPolarHBondContact O-CD1 3.49Å; K493-E624 WeakPolarHBondContact CE-OE1 3.34Å; K493-E624 IonicContact NZ-OE1 2.86Å; K493-E624 PolarHBondContact NZ-OE1 2.92Å; K493-E655 IonicContact NZ-OE1 2.64Å; K493-E655 PolarHBondContact NZ-OE1 2.9Å; K493-E655 IonicContact NZ-OE2 2.81Å; K493-E655 PolarHBondContact NZ-OE2 3.28Å
494G97.3Very high96.8Very high1 Ų119.5 Ų19.51%0.019%0.086CC..Hα-helixtrans-62.6-43.6172.600000112.6K490 I491 L492 A497 V498K490-G494 PolarHBondContact O-N 2.69Å; I491-G494 PolarHBondContact O-N 3.25Å; L492-G494 VanDerWaalsContact C-N 3.31Å; L492-G494 PolarHBondContact O-N 3.14Å; G494-A497 PolarHBondContact O-N 2.76Å; G494-V498 PolarHBondContact O-N 3.29Å
495E97.1Very high96.7Very high24 Ų2427.3 Ų27.311%0.11212%0.12CC..Hα-helixtrans-64-40.4175.2-66.7-54.5137.400112.7L455 L459 I491 L492 V498 R499 Y525L455-E495 HydrophobicContact CD2-CB 4.26Å; L455-E495 HydrophobicContact CD2-CG 4.11Å; L459-E495 HydrophobicContact CD1-CG 3.57Å; I491-E495 PolarHBondContact O-N 3.08Å; L492-E495 CarbonylContact O-C 3.56Å; L492-E495 WeakPolarHBondContact O-CB 3.49Å; L492-E495 PolarHBondContact O-N 2.82Å; L492-E495 VanDerWaalsContact O-N 3.13Å; E495-V498 PolarHBondContact O-N 3.17Å; E495-R499 WeakPolarHBondContact O-CB 3.43Å; E495-R499 PolarHBondContact O-N 2.91Å; E495-Y525 VanDerWaalsContact CD-OH 3.25Å; E495-Y525 VanDerWaalsContact OE1-CZ 3.25Å; E495-Y525 PolarHBondContact OE1-OH 3.21Å; E495-Y525 PolarHBondContact OE2-OH 3.28Å
496Y98.1Very high96.6Very high0 Ų026.2 Ų26.20%012%0.116CC..Hα-helixtrans-70.6-35.6-177.9-79.729.4000110.7V446 V448 D453 L492 K493 R499 A500 L618 P675 I677V446-Y496 HydrophobicContact CG1-CD2 3.8Å; V446-Y496 HydrophobicContact CG1-CE2 3.93Å; V448-Y496 HydrophobicContact CB-CE2 4.4Å; V448-Y496 HydrophobicContact CG1-CE2 4.34Å; V448-Y496 HydrophobicContact CG2-CD2 3.8Å; V448-Y496 HydrophobicContact CG2-CE2 3.94Å; D453-Y496 VanDerWaalsContact OD2-CE1 3.24Å; D453-Y496 WeakPolarHBondContact OD2-CE1 3.39Å; D453-Y496 PolarHBondContact OD2-OH 2.76Å; L492-Y496 HydrophobicContact CB-CE1 4.41Å; L492-Y496 HydrophobicContact CD2-CE1 4.26Å; L492-Y496 WeakPolarHBondContact O-CB 3.49Å; L492-Y496 WeakPolarHBondContact O-CD1 3.37Å; L492-Y496 PolarHBondContact O-N 3.13Å; K493-Y496 PolarHBondContact O-N 2.76Å; Y496-R499 PolarHBondContact O-N 3.27Å; Y496-A500 WeakPolarHBondContact O-CB 3.49Å; Y496-A500 PolarHBondContact O-N 3.42Å; Y496-L618 HydrophobicContact CD2-CD2 4.32Å; Y496-P675 HydrophobicContact CE2-CB 4.29Å; Y496-P675 WeakPolarHBondContact OH-CB 3.34Å; Y496-I677 HydrophobicContact CD2-CD1 4.42Å; Y496-I677 HydrophobicContact CG-CD1 4.28Å; Y496-I677 VanDerWaalsContact O-CD1 3.27Å; Y496-I677 WeakPolarHBondContact O-CD1 3.25Å
497A98.1Very high96.2Very high0 Ų030.2 Ų30.20%014%0.137CC..Hα-helixtrans-60.2-45.6170.400000111.6K493 G494 R499 A500 I501 L522 V590K493-A497 WeakPolarHBondContact O-CB 3.47Å; K493-A497 PolarHBondContact O-N 3.17Å; G494-A497 PolarHBondContact O-N 2.76Å; A497-R499 VanDerWaalsContact C-N 3.35Å; A497-R499 PolarHBondContact O-N 3.37Å; A497-A500 PolarHBondContact O-N 3.18Å; A497-I501 WeakPolarHBondContact O-CD1 3.43Å; A497-I501 WeakPolarHBondContact O-CG1 3.43Å; A497-I501 PolarHBondContact O-N 2.75Å; A497-I501 VanDerWaalsContact O-N 3.16Å; A497-L522 HydrophobicContact CB-CD1 4.4Å; A497-V590 HydrophobicContact CB-CG2 4.4Å
498V97.3Very high96.1Very high4 Ų431.3 Ų31.32%0.02414%0.142CC..Hα-helixtrans-63.3-40.6175.2169.20000111.6G494 E495 I501 K502 Y525 F526 Q529 F540G494-V498 PolarHBondContact O-N 3.29Å; E495-V498 PolarHBondContact O-N 3.17Å; V498-I501 PolarHBondContact O-N 3.44Å; V498-K502 HydrophobicContact CG1-CD 4.1Å; V498-K502 WeakPolarHBondContact O-CG 3.4Å; V498-K502 PolarHBondContact O-N 2.69Å; V498-K502 VanDerWaalsContact O-N 3.1Å; V498-Y525 HydrophobicContact CG2-CD1 4.01Å; V498-Y525 HydrophobicContact CG2-CE1 3.56Å; V498-F526 HydrophobicContact CG2-CD1 4.28Å; V498-F526 HydrophobicContact CG2-CE1 3.86Å; V498-Q529 HydrophobicContact CG2-CG 4.3Å; V498-F540 HydrophobicContact CB-CE1 4.34Å; V498-F540 HydrophobicContact CG1-CE1 4.01Å; V498-F540 HydrophobicContact CG1-CZ 3.77Å; V498-F540 HydrophobicContact CG2-CE1 4.14Å
499R96.9Very high96.1Very high69 Ų6931.2 Ų31.226%0.2614%0.142SC..Hα-helixtrans-63.7-48.5178-173.2177.1-62.61604.6111.4E495 Y496 A497 I501 K502 E503 P675 I677E495-R499 WeakPolarHBondContact O-CB 3.43Å; E495-R499 PolarHBondContact O-N 2.91Å; Y496-R499 PolarHBondContact O-N 3.27Å; A497-R499 VanDerWaalsContact C-N 3.35Å; A497-R499 PolarHBondContact O-N 3.37Å; R499-I501 VanDerWaalsContact C-N 3.29Å; R499-I501 PolarHBondContact O-N 2.81Å; R499-K502 PolarHBondContact O-N 3.22Å; R499-K502 VanDerWaalsContact O-N 3.11Å; R499-E503 WeakPolarHBondContact O-CB 3.23Å; R499-E503 PolarHBondContact O-N 3.23Å; R499-P675 VanDerWaalsContact CD-O 3.3Å; R499-P675 WeakPolarHBondContact CD-O 3.43Å; R499-P675 PolarHBondContact NH1-O 3.43Å; R499-I677 HydrophobicContact CB-CD1 4.07Å; R499-I677 HydrophobicContact CG-CD1 4.18Å; R499-I677 HydrophobicContact CG-CG1 4.37Å
500A97.2Very high96Very high0 Ų031.5 Ų31.50%014%0.143CC..Hα-helixtrans-55.9-44.3176.900000111.8Y496 A497 K502 H504 M506 I588 I616 I677Y496-A500 WeakPolarHBondContact O-CB 3.49Å; Y496-A500 PolarHBondContact O-N 3.42Å; A497-A500 PolarHBondContact O-N 3.18Å; A500-K502 PolarHBondContact O-N 3.09Å; A500-H504 PolarHBondContact O-N 3.41Å; A500-H504 VanDerWaalsContact O-N 3.1Å; A500-M506 HydrophobicContact CB-CE 4.14Å; A500-I588 HydrophobicContact CB-CD1 4.08Å; A500-I616 HydrophobicContact CB-CD1 3.98Å; A500-I677 HydrophobicContact CB-CD1 4.04Å; A500-I677 HydrophobicContact CB-CG2 4.11Å
501I97.1Very high96Very high0 Ų030.5 Ų30.50%014%0.139CC..Hα-helixtrans-60.7-44.2176.7-72.9163.2000111.9A497 V498 R499 K505 M506 I511 F526 Q539 F540 F568 I588A497-I501 WeakPolarHBondContact O-CD1 3.43Å; A497-I501 WeakPolarHBondContact O-CG1 3.43Å; A497-I501 PolarHBondContact O-N 2.75Å; A497-I501 VanDerWaalsContact O-N 3.16Å; V498-I501 PolarHBondContact O-N 3.44Å; R499-I501 VanDerWaalsContact C-N 3.29Å; R499-I501 PolarHBondContact O-N 2.81Å; I501-K505 WeakPolarHBondContact O-CA 3.41Å; I501-K505 PolarHBondContact O-N 2.95Å; I501-K505 VanDerWaalsContact O-N 3.13Å; I501-M506 HydrophobicContact CG1-SD 3.97Å; I501-M506 PolarHBondContact O-N 2.94Å; I501-I511 HydrophobicContact CD1-CD1 4.26Å; I501-F526 HydrophobicContact CD1-CE1 4.11Å; I501-F526 HydrophobicContact CD1-CE2 3.78Å; I501-F526 HydrophobicContact CD1-CZ 3.3Å; I501-Q539 HydrophobicContact CG2-CG 4.06Å; I501-F540 HydrophobicContact CB-CE1 4.03Å; I501-F540 HydrophobicContact CD1-CD1 4.16Å; I501-F540 HydrophobicContact CD1-CE1 3.95Å; I501-F540 HydrophobicContact CG2-CD1 4.25Å; I501-F540 HydrophobicContact CG2-CE1 3.6Å; I501-F540 HydrophobicContact CG2-CZ 4.09Å; I501-F568 HydrophobicContact CB-CZ 4.2Å; I501-F568 HydrophobicContact CD1-CD2 4.1Å; I501-F568 HydrophobicContact CD1-CE1 4.31Å; I501-F568 HydrophobicContact CD1-CE2 3.56Å; I501-F568 HydrophobicContact CD1-CZ 3.72Å; I501-F568 HydrophobicContact CG1-CE1 4.12Å; I501-F568 HydrophobicContact CG1-CE2 4.02Å; I501-F568 HydrophobicContact CG1-CZ 3.64Å; I501-F568 HydrophobicContact CG2-CE2 3.87Å; I501-F568 HydrophobicContact CG2-CZ 3.52Å; I501-I588 HydrophobicContact CG1-CD1 4.05Å
502K96.4Very high96Very high98 Ų9830.2 Ų30.243%0.42614%0.137SC..Hα-helixtrans-71.3-47.6-178.4-72.3176.2-178.4174.60111.6V498 R499 A500 K505 F540V498-K502 HydrophobicContact CG1-CD 4.1Å; V498-K502 WeakPolarHBondContact O-CG 3.4Å; V498-K502 PolarHBondContact O-N 2.69Å; V498-K502 VanDerWaalsContact O-N 3.1Å; R499-K502 PolarHBondContact O-N 3.22Å; R499-K502 VanDerWaalsContact O-N 3.11Å; A500-K502 PolarHBondContact O-N 3.09Å; K502-K505 PolarHBondContact O-N 3.38Å; K502-F540 HydrophobicContact CD-CZ 4.36Å; K502-F540 HydrophobicContact CG-CZ 4Å
503E94.8Very high96Very high87 Ų8730.3 Ų30.341%0.40714%0.138SC..Hα-helixtrans-62-48.5-176.5-171.758.2-149.800111.2R499 K505 K678R499-E503 WeakPolarHBondContact O-CB 3.23Å; R499-E503 PolarHBondContact O-N 3.23Å; E503-K505 VanDerWaalsContact C-N 3.33Å; E503-K505 PolarHBondContact O-N 3.39Å; E503-K678 HydrophobicContact CG-CG 4.4Å
504H93Very high95.8Very high30 Ų3031.4 Ų31.414%0.13914%0.142CC..THydrogen-bonded Turntrans-88.64.2179.8-64.1-65.1000114.4A500 M506 Y586 I677 V679A500-H504 PolarHBondContact O-N 3.41Å; A500-H504 VanDerWaalsContact O-N 3.1Å; H504-M506 HydrophobicContact CB-CE 4.12Å; H504-M506 HydrophobicContact CB-CG 4.01Å; H504-M506 PolarHBondContact O-N 2.89Å; H504-Y586 HydrophobicContact CB-CE1 4.02Å; H504-Y586 PolarHBondContact O-OH 2.86Å; H504-I677 PolarHBondContact NE2-O 2.93Å; H504-V679 WeakPolarHBondContact NE2-CG2 3.29Å
505K93.2Very high95.6Very high164 Ų16432.7 Ų32.771%0.71315%0.149SC*.THydrogen-bonded Turntrans48.843.4-178.7-58.4176.7-176.6172.30112.6I501 K502 E503 D507I501-K505 WeakPolarHBondContact O-CA 3.41Å; I501-K505 PolarHBondContact O-N 2.95Å; I501-K505 VanDerWaalsContact O-N 3.13Å; K502-K505 PolarHBondContact O-N 3.38Å; E503-K505 VanDerWaalsContact C-N 3.33Å; E503-K505 PolarHBondContact O-N 3.39Å; K505-D507 PolarHBondContact O-N 2.86Å
506M93.8Very high95.3Very high0 Ų035.2 Ų35.20%016%0.16CC..  trans-56.9123.5-171.6-61.4-175.9175.900111A500 I501 H504 A509 R567 F568 Y586 I588 I616A500-M506 HydrophobicContact CB-CE 4.14Å; I501-M506 HydrophobicContact CG1-SD 3.97Å; I501-M506 PolarHBondContact O-N 2.94Å; H504-M506 HydrophobicContact CB-CE 4.12Å; H504-M506 HydrophobicContact CB-CG 4.01Å; H504-M506 PolarHBondContact O-N 2.89Å; M506-A509 HydrophobicContact SD-CB 4.24Å; M506-R567 PolarHBondContact O-NH1 2.81Å; M506-R567 VanDerWaalsContact O-NH1 3.09Å; M506-F568 HydrophobicContact CB-CE1 3.92Å; M506-F568 HydrophobicContact CB-CZ 4.19Å; M506-Y586 HydrophobicContact CB-CD2 3.82Å; M506-Y586 HydrophobicContact CB-CE2 4.16Å; M506-Y586 HydrophobicContact CB-CG 4.21Å; M506-Y586 HydrophobicContact CE-CD1 3.81Å; M506-Y586 HydrophobicContact CE-CG 4.08Å; M506-Y586 HydrophobicContact CG-CD1 3.9Å; M506-Y586 HydrophobicContact CG-CD2 3.72Å; M506-Y586 HydrophobicContact CG-CE1 4.22Å; M506-Y586 HydrophobicContact CG-CE2 4.08Å; M506-Y586 HydrophobicContact CG-CG 3.64Å; M506-Y586 HydrophobicContact SD-CD1 4.25Å; M506-Y586 HydrophobicContact SD-CD2 4.48Å; M506-Y586 HydrophobicContact SD-CG 3.94Å; M506-I588 HydrophobicContact CE-CD1 4.07Å; M506-I588 HydrophobicContact CE-CG1 4.13Å; M506-I588 HydrophobicContact SD-CD1 3.78Å; M506-I588 HydrophobicContact SD-CG1 4.2Å; M506-I616 HydrophobicContact CE-CD1 3.73Å
507D90.5Very high95.2Very high85 Ų8538.6 Ų38.646%0.45518%0.177SC..SBendtrans-96.2-31.7178.459.8-15.4000111.8K505 R567 P585K505-D507 PolarHBondContact O-N 2.86Å; D507-R567 VanDerWaalsContact O-CB 3.25Å; D507-R567 WeakPolarHBondContact O-CB 3.27Å; D507-R567 WeakPolarHBondContact O-CD 3.48Å; D507-R567 WeakPolarHBondContact O-CG 3.28Å; D507-P585 VanDerWaalsContact OD1-CG 3.31Å; D507-P585 WeakPolarHBondContact OD1-CG 3.34Å
508Q93.6Very high95.1Very high58 Ų5840.1 Ų40.127%0.27119%0.185SC..SBendtrans-148.1125.8173.3-168.4174.618.400111.8F561 R567 V584 P585 Y586Q508-F561 HydrophobicContact CG-CE2 3.72Å; Q508-F561 HydrophobicContact CG-CZ 3.66Å; Q508-F561 PolarHBondContact NE2-O 3.16Å; Q508-R567 CarbonylContact C-O 3.51Å; Q508-R567 VanDerWaalsContact CA-O 3.25Å; Q508-R567 WeakPolarHBondContact CA-O 3.46Å; Q508-V584 HydrophobicContact CG-CG1 4.3Å; Q508-P585 HydrophobicContact CB-CG 4.08Å; Q508-P585 VanDerWaalsContact O-CD 3.29Å; Q508-P585 WeakPolarHBondContact O-CD 3.38Å; Q508-P585 VanDerWaalsContact O-CG 3.27Å; Q508-P585 WeakPolarHBondContact O-CG 3.45Å; Q508-Y586 WeakPolarHBondContact O-CD2 3.39Å; Q508-Y586 PolarHBondContact O-N 2.8Å
509A95.4Very high95.1Very high0 Ų039.9 Ų39.90%018%0.184CC..EExtended strand (participates in β ladder)trans-144.9150.7178.100000113.8M506 F561 R567 F568 L569 Y586M506-A509 HydrophobicContact SD-CB 4.24Å; A509-F561 WeakPolarHBondContact O-CE2 3.5Å; A509-R567 PolarHBondContact N-O 3.4Å; A509-F568 HydrophobicContact CB-CD1 3.59Å; A509-F568 HydrophobicContact CB-CE1 3.8Å; A509-F568 WeakPolarHBondContact O-CA 3.4Å; A509-L569 PolarHBondContact O-N 2.8Å; A509-Y586 WeakPolarHBondContact CA-O 3.07Å; A509-Y586 WeakPolarHBondContact CB-O 3.38Å
510I95.6Very high95.1Very high6 Ų638.8 Ų38.83%0.03118%0.184CC..EExtended strand (participates in β ladder)trans-98.6130.7163.6-56.5175.1000108.3F512 F561 L569 I581 V584 Y586 V587 I588 R605I510-F512 HydrophobicContact CB-CE2 4.29Å; I510-F512 HydrophobicContact CG2-CD2 4.05Å; I510-F512 HydrophobicContact CG2-CE1 4.46Å; I510-F512 HydrophobicContact CG2-CE2 3.55Å; I510-F512 HydrophobicContact CG2-CZ 3.78Å; I510-F561 HydrophobicContact CG1-CE1 4.26Å; I510-F561 HydrophobicContact CG1-CZ 3.97Å; I510-L569 WeakPolarHBondContact CA-O 3.28Å; I510-I581 HydrophobicContact CD1-CB 4.43Å; I510-I581 HydrophobicContact CD1-CG2 3.87Å; I510-V584 HydrophobicContact CD1-CG1 4.38Å; I510-V584 HydrophobicContact CD1-CG2 3.91Å; I510-V584 HydrophobicContact CG1-CG1 4.26Å; I510-V584 HydrophobicContact CG1-CG2 4.01Å; I510-Y586 PolarHBondContact N-O 3.38Å; I510-Y586 VanDerWaalsContact N-O 3.14Å; I510-V587 HydrophobicContact CB-CG2 4.08Å; I510-V587 CarbonylContact O-C 3.54Å; I510-V587 VanDerWaalsContact O-CA 3.28Å; I510-V587 WeakPolarHBondContact O-CA 3.48Å; I510-I588 PolarHBondContact O-N 2.92Å; I510-R605 HydrophobicContact CD1-CB 3.85Å; I510-R605 HydrophobicContact CD1-CG 4.1Å
511I98Very high95.1Very high0 Ų039.5 Ų39.50%019%0.187CC..EExtended strand (participates in β ladder)trans-115.7118.8-179.3-52.8-180000108.6I501 L522 F526 F568 L569 I570 C571 I588 V590I501-I511 HydrophobicContact CD1-CD1 4.26Å; I511-L522 HydrophobicContact CD1-CD2 4.49Å; I511-L522 HydrophobicContact CG2-CD2 3.62Å; I511-F526 HydrophobicContact CD1-CE2 3.74Å; I511-F526 HydrophobicContact CD1-CZ 3.81Å; I511-F568 HydrophobicContact CD1-CB 4.04Å; I511-F568 HydrophobicContact CD1-CD1 4.39Å; I511-F568 HydrophobicContact CD1-CG 4.12Å; I511-L569 PolarHBondContact N-O 3.41Å; I511-I570 HydrophobicContact CB-CG1 4.25Å; I511-I570 HydrophobicContact CD1-CG1 4.34Å; I511-I570 CarbonylContact O-C 3.6Å; I511-I570 WeakPolarHBondContact O-CA 3.44Å; I511-C571 PolarHBondContact O-N 2.95Å; I511-I588 CarbonylContact C-O 3.49Å; I511-I588 WeakPolarHBondContact CA-O 3.29Å; I511-I588 HydrophobicContact CD1-CD1 4.42Å; I511-I588 HydrophobicContact CG1-CB 4.28Å; I511-I588 HydrophobicContact CG1-CD1 4.41Å; I511-I588 HydrophobicContact CG2-CB 4.2Å; I511-I588 HydrophobicContact CG2-CG2 4.43Å; I511-V590 HydrophobicContact CG2-CG2 3.45Å; I511-V590 VanDerWaalsContact CG2-CG2 3.45Å
512F97.6Very high95.2Very high3 Ų339.7 Ų39.71%0.01319%0.188CC..EExtended strand (participates in β ladder)trans-97.6124.3-179.7-72.2-84.6000111.2I510 C571 A576 V587 I588 V590 R602 R605I510-F512 HydrophobicContact CB-CE2 4.29Å; I510-F512 HydrophobicContact CG2-CD2 4.05Å; I510-F512 HydrophobicContact CG2-CE1 4.46Å; I510-F512 HydrophobicContact CG2-CE2 3.55Å; I510-F512 HydrophobicContact CG2-CZ 3.78Å; F512-C571 WeakPolarHBondContact CA-O 3.05Å; F512-A576 HydrophobicContact CD1-CB 4.37Å; F512-A576 HydrophobicContact CE1-CB 3.37Å; F512-A576 HydrophobicContact CZ-CB 3.98Å; F512-V587 HydrophobicContact CD2-CG1 4.07Å; F512-V587 HydrophobicContact CE2-CG1 4.21Å; F512-V587 HydrophobicContact CE2-CG2 4.31Å; F512-I588 PolarHBondContact N-O 3.22Å; F512-V590 WeakPolarHBondContact O-CB 3.34Å; F512-V590 PolarHBondContact O-N 2.85Å; F512-R602 HydrophobicContact CD1-CG 3.76Å; F512-R602 HydrophobicContact CD2-CB 3.88Å; F512-R602 HydrophobicContact CD2-CG 3.81Å; F512-R602 HydrophobicContact CE1-CB 4.49Å; F512-R602 HydrophobicContact CE1-CG 3.72Å; F512-R602 HydrophobicContact CE2-CB 3.7Å; F512-R602 HydrophobicContact CE2-CG 3.8Å; F512-R602 HydrophobicContact CG-CB 4.37Å; F512-R602 HydrophobicContact CG-CG 3.8Å; F512-R602 HydrophobicContact CZ-CB 4.03Å; F512-R602 HydrophobicContact CZ-CG 3.75Å; F512-R605 HydrophobicContact CE2-CG 4.5Å; F512-R605 HydrophobicContact CZ-CG 4.3Å
513C97.1Very high95.3Very high1 Ų135.4 Ų35.41%0.00717%0.17CC..  trans-114.9154.5169.2-53.70000109.6D518 C571C513-D518 HydrophobicContact CB-CB 3.75Å; C513-C571 PolarHBondContact N-O 2.96Å
514R93.9Very high95.4Very high30 Ų3035.5 Ų35.511%0.11317%0.17CC..SBendtrans-72-42.9178.9-178172.1-177.7-97.63.3112.5T591 D594 W627R514-T591 HydrophobicContact CB-CG2 3.63Å; R514-T591 HydrophobicContact CG-CG2 4.4Å; R514-D594 IonicContact CZ-OD1 2.69Å; R514-D594 VanDerWaalsContact CZ-OD1 3.29Å; R514-D594 IonicContact NE-OD1 3.64Å; R514-D594 PolarHBondContact NE-OD1 3.12Å; R514-D594 IonicContact NE-OD2 2.86Å; R514-D594 IonicContact NH2-OD1 2.6Å; R514-D594 PolarHBondContact NH2-OD1 3.44Å; R514-W627 PolarHBondContact NH1-O 2.9Å
515T92.9Very high95.6Very high27 Ų2734.4 Ų34.417%0.16617%0.165CC..SBendtrans-116.2160.7-176.580.40000113.1I517 D518 C519T515-I517 VanDerWaalsContact C-N 3.27Å; T515-I517 PolarHBondContact O-N 2.84Å; T515-I517 PolarHBondContact OG1-N 3.05Å; T515-D518 WeakPolarHBondContact CB-OD2 3.36Å; T515-D518 PolarHBondContact N-OD2 2.92Å; T515-D518 PolarHBondContact O-N 3.48Å; T515-D518 PolarHBondContact OG1-N 3.31Å; T515-D518 VanDerWaalsContact OG1-N 3.16Å; T515-D518 PolarHBondContact OG1-OD2 3.49Å; T515-C519 PolarHBondContact O-N 3.31Å; T515-C519 VanDerWaalsContact O-N 3.17Å; T515-C519 PolarHBondContact O-SG 2.93Å
516K91.9Very high95.9Very high77 Ų7726.6 Ų26.634%0.33513%0.131SC..Hα-helixtrans-60.7-38.4174.6-54.9-175.5-169.6172.60112C519 D520 H546 D548K516-C519 WeakPolarHBondContact O-CB 3.46Å; K516-C519 PolarHBondContact O-N 3.34Å; K516-D520 PolarHBondContact O-N 2.85Å; K516-D520 VanDerWaalsContact O-N 3.1Å; K516-H546 HydrophobicContact CB-CB 4.39Å; K516-H546 WeakPolarHBondContact CB-ND1 3.36Å; K516-H546 HydrophobicContact CG-CB 4.06Å; K516-D548 HydrophobicContact CD-CB 3.98Å; K516-D548 WeakPolarHBondContact CD-OD1 3.34Å; K516-D548 WeakPolarHBondContact CD-OD2 3.24Å; K516-D548 IonicContact NZ-OD1 3.03Å; K516-D548 PolarHBondContact NZ-OD1 3.36Å; K516-D548 IonicContact NZ-OD2 3.1Å
517I94.4Very high96Very high71 Ų7130.5 Ų30.536%0.36415%0.15SC..Hα-helixtrans-67.1-39.9179.2-63.1170.2000109.9D467 T515 C519 D520 N521D467-I517 HydrophobicContact CB-CG2 3.97Å; T515-I517 VanDerWaalsContact C-N 3.27Å; T515-I517 PolarHBondContact O-N 2.84Å; T515-I517 PolarHBondContact OG1-N 3.05Å; I517-C519 VanDerWaalsContact C-N 3.33Å; I517-C519 PolarHBondContact O-N 3Å; I517-D520 PolarHBondContact O-N 3.43Å; I517-N521 WeakPolarHBondContact O-CB 3.36Å; I517-N521 VanDerWaalsContact O-CG 3.28Å; I517-N521 PolarHBondContact O-N 2.97Å; I517-N521 PolarHBondContact O-ND2 3.07Å
518D96.3Very high96.3Very high32 Ų3232 Ų3217%0.17115%0.154CC..Hα-helixtrans-64.4-38.6175.9-60.9-42.7000111.8C513 T515 N521 L522C513-D518 HydrophobicContact CB-CB 3.75Å; T515-D518 WeakPolarHBondContact CB-OD2 3.36Å; T515-D518 PolarHBondContact N-OD2 2.92Å; T515-D518 PolarHBondContact O-N 3.48Å; T515-D518 PolarHBondContact OG1-N 3.31Å; T515-D518 VanDerWaalsContact OG1-N 3.16Å; T515-D518 PolarHBondContact OG1-OD2 3.49Å; D518-N521 PolarHBondContact O-N 2.86Å; D518-L522 WeakPolarHBondContact O-CB 3.28Å; D518-L522 PolarHBondContact O-N 2.81Å
519C97.2Very high96.3Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-58.6-50.2172.4-63.20000111.4T515 K516 I517 N521 L522 E523 C544 I570 C571T515-C519 PolarHBondContact O-N 3.31Å; T515-C519 VanDerWaalsContact O-N 3.17Å; T515-C519 PolarHBondContact O-SG 2.93Å; K516-C519 WeakPolarHBondContact O-CB 3.46Å; K516-C519 PolarHBondContact O-N 3.34Å; I517-C519 VanDerWaalsContact C-N 3.33Å; I517-C519 PolarHBondContact O-N 3Å; C519-N521 PolarHBondContact O-N 3.37Å; C519-L522 PolarHBondContact O-N 3.18Å; C519-E523 PolarHBondContact O-N 3.32Å; C519-C544 PolarHBondContact O-SG 3.37Å; C519-C544 VanDerWaalsContact O-SG 3.35Å; C519-I570 HydrophobicContact CB-CG2 3.81Å; C519-C571 VanDerWaalsContact SG-C 3.55Å
520D97.3Very high96.3Very high46 Ų4633.7 Ų33.725%0.24617%0.172CC..Hα-helixtrans-62.1-44-179.8-69-28.3000111.6K516 I517 L522 E523 Q524 H546 R549K516-D520 PolarHBondContact O-N 2.85Å; K516-D520 VanDerWaalsContact O-N 3.1Å; I517-D520 PolarHBondContact O-N 3.43Å; D520-L522 VanDerWaalsContact C-N 3.32Å; D520-L522 PolarHBondContact O-N 2.94Å; D520-E523 PolarHBondContact O-N 2.96Å; D520-Q524 VanDerWaalsContact O-CG 3.32Å; D520-Q524 WeakPolarHBondContact O-CG 3.46Å; D520-Q524 PolarHBondContact O-N 3.05Å; D520-H546 IonicContact OD1-CE1 2.67Å; D520-H546 PolarHBondContact OD1-CE1 2.83Å; D520-H546 IonicContact OD1-NE2 4Å; D520-H546 PolarHBondContact OD1-NE2 2.82Å; D520-H546 IonicContact OD2-CE1 3.25Å; D520-H546 IonicContact OD2-NE2 2.91Å; D520-R549 IonicContact OD1-CZ 3.61Å; D520-R549 IonicContact OD1-NE 3.33Å; D520-R549 PolarHBondContact OD1-NE 3.4Å; D520-R549 IonicContact OD1-NH2 2.84Å; D520-R549 PolarHBondContact OD1-NH2 3.42Å
521N97.8Very high96.4Very high15 Ų1533.7 Ų33.78%0.0817%0.173CC..Hα-helixtrans-61.5-40.3177.4-78.3-18.8000111.9I464 R465 T466 I517 D518 C519 Q524 Y525I464-N521 HydrophobicContact CD1-CB 4.5Å; I464-N521 HydrophobicContact CG1-CB 4.33Å; R465-N521 WeakPolarHBondContact O-CB 2.97Å; R465-N521 PolarHBondContact O-ND2 3.23Å; R465-N521 VanDerWaalsContact O-ND2 3.07Å; T466-N521 VanDerWaalsContact C-ND2 3.35Å; T466-N521 PolarHBondContact O-ND2 3.15Å; I517-N521 WeakPolarHBondContact O-CB 3.36Å; I517-N521 VanDerWaalsContact O-CG 3.28Å; I517-N521 PolarHBondContact O-N 2.97Å; I517-N521 PolarHBondContact O-ND2 3.07Å; D518-N521 PolarHBondContact O-N 2.86Å; C519-N521 PolarHBondContact O-N 3.37Å; N521-Q524 PolarHBondContact O-N 3.39Å; N521-Y525 WeakPolarHBondContact O-CB 3.07Å; N521-Y525 PolarHBondContact O-N 2.57Å
522L98.3Very high96.3Very high3 Ų333.7 Ų33.72%0.01617%0.173CC..Hα-helixtrans-70.4-40177.9-171.663.7000112.4I464 A497 I511 D518 C519 D520 Y525 F526 I570 V590I464-L522 HydrophobicContact CD1-CB 4.19Å; I464-L522 HydrophobicContact CD1-CD1 3.8Å; A497-L522 HydrophobicContact CB-CD1 4.4Å; I511-L522 HydrophobicContact CD1-CD2 4.49Å; I511-L522 HydrophobicContact CG2-CD2 3.62Å; D518-L522 WeakPolarHBondContact O-CB 3.28Å; D518-L522 PolarHBondContact O-N 2.81Å; C519-L522 PolarHBondContact O-N 3.18Å; D520-L522 VanDerWaalsContact C-N 3.32Å; D520-L522 PolarHBondContact O-N 2.94Å; L522-Y525 PolarHBondContact O-N 2.79Å; L522-F526 HydrophobicContact CD1-CD1 4.22Å; L522-F526 HydrophobicContact CD1-CE1 3.7Å; L522-F526 HydrophobicContact CD1-CZ 4.15Å; L522-F526 HydrophobicContact CD2-CZ 4.46Å; L522-F526 HydrophobicContact CG-CE1 4.12Å; L522-F526 HydrophobicContact CG-CZ 4.21Å; L522-F526 PolarHBondContact O-N 3.28Å; L522-I570 HydrophobicContact CB-CD1 4.24Å; L522-I570 HydrophobicContact CB-CG2 4.48Å; L522-I570 HydrophobicContact CD2-CD1 4.11Å; L522-I570 HydrophobicContact CD2-CG1 4.3Å; L522-I570 HydrophobicContact CD2-CG2 4.1Å; L522-I570 HydrophobicContact CG-CD1 4Å; L522-V590 HydrophobicContact CD2-CG2 4.15Å
523E98.1Very high96.1Very high9 Ų934.7 Ų34.74%0.04218%0.179CC..Hα-helixtrans-61.3-44.9172.8179.5-178.3-96.600111.4C519 D520 Y525 F526 M527 C544 R549 I570C519-E523 PolarHBondContact O-N 3.32Å; D520-E523 PolarHBondContact O-N 2.96Å; E523-Y525 VanDerWaalsContact C-N 3.29Å; E523-Y525 PolarHBondContact O-N 3.14Å; E523-F526 PolarHBondContact O-N 3.4Å; E523-M527 WeakPolarHBondContact O-CG 3.41Å; E523-M527 PolarHBondContact O-N 3.47Å; E523-C544 WeakPolarHBondContact CB-SG 3.39Å; E523-C544 PolarHBondContact OE1-N 2.94Å; E523-C544 PolarHBondContact OE1-SG 3.18Å; E523-C544 VanDerWaalsContact OE1-SG 3.41Å; E523-R549 IonicContact OE1-NH2 2.83Å; E523-R549 IonicContact OE2-CZ 3.46Å; E523-R549 IonicContact OE2-NH1 2.62Å; E523-R549 IonicContact OE2-NH2 3.29Å; E523-R549 PolarHBondContact OE2-NH2 3.42Å; E523-I570 HydrophobicContact CB-CD1 4.14Å
524Q97.7Very high96Very high88 Ų8840.7 Ų40.741%0.41121%0.211SC..Hα-helixtrans-61.6-38.6174.6-70.2-55.3-53.900111.7D520 N521 M527 Q528D520-Q524 VanDerWaalsContact O-CG 3.32Å; D520-Q524 WeakPolarHBondContact O-CG 3.46Å; D520-Q524 PolarHBondContact O-N 3.05Å; N521-Q524 PolarHBondContact O-N 3.39Å; Q524-M527 PolarHBondContact NE2-SD 2.83Å; Q524-M527 VanDerWaalsContact NE2-SD 3.38Å; Q524-M527 WeakPolarHBondContact O-CB 3.45Å; Q524-M527 PolarHBondContact O-N 2.97Å; Q524-Q528 WeakPolarHBondContact O-CG 3.49Å; Q524-Q528 PolarHBondContact O-N 2.95Å
525Y97.8Very high95.9Very high7 Ų744.9 Ų44.93%0.02723%0.23CC..Hα-helixtrans-66.1-40.7176.1-170.2-131.1000111.7I464 E495 V498 N521 L522 E523 M527 Q528 Q529I464-Y525 HydrophobicContact CB-CD1 3.88Å; I464-Y525 HydrophobicContact CB-CD2 4.12Å; I464-Y525 HydrophobicContact CB-CE1 4.41Å; I464-Y525 HydrophobicContact CB-CG 3.74Å; I464-Y525 HydrophobicContact CD1-CD1 4.37Å; I464-Y525 HydrophobicContact CD1-CG 4.46Å; I464-Y525 HydrophobicContact CG1-CD1 4.44Å; I464-Y525 HydrophobicContact CG1-CG 4.17Å; E495-Y525 VanDerWaalsContact CD-OH 3.25Å; E495-Y525 VanDerWaalsContact OE1-CZ 3.25Å; E495-Y525 PolarHBondContact OE1-OH 3.21Å; E495-Y525 PolarHBondContact OE2-OH 3.28Å; V498-Y525 HydrophobicContact CG2-CD1 4.01Å; V498-Y525 HydrophobicContact CG2-CE1 3.56Å; N521-Y525 WeakPolarHBondContact O-CB 3.07Å; N521-Y525 PolarHBondContact O-N 2.57Å; L522-Y525 PolarHBondContact O-N 2.79Å; E523-Y525 VanDerWaalsContact C-N 3.29Å; E523-Y525 PolarHBondContact O-N 3.14Å; Y525-M527 VanDerWaalsContact C-N 3.29Å; Y525-M527 PolarHBondContact O-N 3.41Å; Y525-Q528 WeakPolarHBondContact O-CB 3.31Å; Y525-Q528 PolarHBondContact O-N 3.27Å; Y525-Q528 VanDerWaalsContact O-N 3.09Å; Y525-Q529 WeakPolarHBondContact O-CG 3.48Å; Y525-Q529 PolarHBondContact O-N 2.76Å; Y525-Q529 PolarHBondContact OH-NE2 3.03Å; Y525-Q529 VanDerWaalsContact OH-NE2 3.1Å
526F98Very high95.8Very high0 Ų050.7 Ų50.70%025%0.254CS..Hα-helixtrans-65-32.6173.9-77.913.5000112.6V498 I501 I511 L522 E523 Q529 G530 G531 F540 C542 F568 I570V498-F526 HydrophobicContact CG2-CD1 4.28Å; V498-F526 HydrophobicContact CG2-CE1 3.86Å; I501-F526 HydrophobicContact CD1-CE1 4.11Å; I501-F526 HydrophobicContact CD1-CE2 3.78Å; I501-F526 HydrophobicContact CD1-CZ 3.3Å; I511-F526 HydrophobicContact CD1-CE2 3.74Å; I511-F526 HydrophobicContact CD1-CZ 3.81Å; L522-F526 HydrophobicContact CD1-CD1 4.22Å; L522-F526 HydrophobicContact CD1-CE1 3.7Å; L522-F526 HydrophobicContact CD1-CZ 4.15Å; L522-F526 HydrophobicContact CD2-CZ 4.46Å; L522-F526 HydrophobicContact CG-CE1 4.12Å; L522-F526 HydrophobicContact CG-CZ 4.21Å; L522-F526 PolarHBondContact O-N 3.28Å; E523-F526 PolarHBondContact O-N 3.4Å; F526-Q529 CarbonylContact O-C 3.57Å; F526-Q529 PolarHBondContact O-N 3.31Å; F526-G530 PolarHBondContact O-N 3.43Å; F526-G531 CarbonylContact O-C 3.57Å; F526-G531 VanDerWaalsContact O-CA 3.29Å; F526-G531 WeakPolarHBondContact O-CA 3.01Å; F526-G531 PolarHBondContact O-N 3.3Å; F526-F540 HydrophobicContact CB-CB 4.06Å; F526-F540 HydrophobicContact CD1-CD1 4.02Å; F526-F540 HydrophobicContact CD2-CB 4.33Å; F526-F540 HydrophobicContact CD2-CD1 4.27Å; F526-F540 HydrophobicContact CE1-CD1 4.13Å; F526-F540 HydrophobicContact CE2-CD1 4.39Å; F526-F540 HydrophobicContact CG-CB 4.14Å; F526-F540 HydrophobicContact CG-CD1 4.12Å; F526-F540 HydrophobicContact CZ-CD1 4.33Å; F526-C542 HydrophobicContact CD2-CB 3.79Å; F526-C542 HydrophobicContact CE2-CB 4.43Å; F526-F568 HydrophobicContact CD2-CD2 4.03Å; F526-F568 HydrophobicContact CE2-CB 4.38Å; F526-F568 AromaticContact CE2-CD2 3.58Å; F526-F568 HydrophobicContact CE2-CD2 3.58Å; F526-F568 HydrophobicContact CE2-CE2 4.21Å; F526-F568 HydrophobicContact CE2-CG 4.21Å; F526-I570 HydrophobicContact CD2-CD1 4.23Å; F526-I570 HydrophobicContact CE2-CD1 4.29Å
527M97.1Very high95.5Very high82 Ų8249.5 Ų49.540%0.40426%0.263SS..Hα-helixtrans-63.5-40.8169.6-70.6172.364.400112.1E523 Q524 Y525 Q529 G530E523-M527 WeakPolarHBondContact O-CG 3.41Å; E523-M527 PolarHBondContact O-N 3.47Å; Q524-M527 PolarHBondContact NE2-SD 2.83Å; Q524-M527 VanDerWaalsContact NE2-SD 3.38Å; Q524-M527 WeakPolarHBondContact O-CB 3.45Å; Q524-M527 PolarHBondContact O-N 2.97Å; Y525-M527 VanDerWaalsContact C-N 3.29Å; Y525-M527 PolarHBondContact O-N 3.41Å; M527-Q529 VanDerWaalsContact C-N 3.28Å; M527-Q529 PolarHBondContact O-N 3.48Å; M527-G530 WeakPolarHBondContact O-CA 3.33Å; M527-G530 PolarHBondContact O-N 3.39Å
528Q95.4Very high95.5Very high117 Ų11749.4 Ų49.455%0.54726%0.261SS..Hα-helixtrans-64.8-32.8174.2-66.317021.100112.2Q524 Y525 G530Q524-Q528 WeakPolarHBondContact O-CG 3.49Å; Q524-Q528 PolarHBondContact O-N 2.95Å; Y525-Q528 WeakPolarHBondContact O-CB 3.31Å; Y525-Q528 PolarHBondContact O-N 3.27Å; Y525-Q528 VanDerWaalsContact O-N 3.09Å; Q528-G530 PolarHBondContact O-N 2.72Å
529Q94.8Very high95.5Very high60 Ų6051.1 Ų51.128%0.2827%0.268SS..THydrogen-bonded Turntrans-73.44.9170.8-59.4-61.2-50.200113.3V498 Y525 F526 M527 H538 F540V498-Q529 HydrophobicContact CG2-CG 4.3Å; Y525-Q529 WeakPolarHBondContact O-CG 3.48Å; Y525-Q529 PolarHBondContact O-N 2.76Å; Y525-Q529 PolarHBondContact OH-NE2 3.03Å; Y525-Q529 VanDerWaalsContact OH-NE2 3.1Å; F526-Q529 CarbonylContact O-C 3.57Å; F526-Q529 PolarHBondContact O-N 3.31Å; M527-Q529 VanDerWaalsContact C-N 3.28Å; M527-Q529 PolarHBondContact O-N 3.48Å; Q529-H538 PolarHBondContact O-CE1 3.33Å; Q529-H538 VanDerWaalsContact O-CE1 3.3Å; Q529-F540 HydrophobicContact CB-CB 4.47Å; Q529-F540 HydrophobicContact CB-CD2 3.7Å; Q529-F540 HydrophobicContact CB-CE2 4.16Å; Q529-F540 HydrophobicContact CB-CG 4.02Å
530G95.4Very high95.6Very high34 Ų3451.4 Ų51.435%0.35127%0.269SS..THydrogen-bonded Turntrans93.3-1.2178.300000115.4F526 M527 Q528 K535F526-G530 PolarHBondContact O-N 3.43Å; M527-G530 WeakPolarHBondContact O-CA 3.33Å; M527-G530 PolarHBondContact O-N 3.39Å; Q528-G530 PolarHBondContact O-N 2.72Å; G530-K535 WeakPolarHBondContact O-CG 3.35Å
531G97Very high95.6Very high5 Ų549.2 Ų49.25%0.05226%0.258CS..  trans-96.2-138.7179.800000114.2F526 K535 H538 F540F526-G531 CarbonylContact O-C 3.57Å; F526-G531 VanDerWaalsContact O-CA 3.29Å; F526-G531 WeakPolarHBondContact O-CA 3.01Å; F526-G531 PolarHBondContact O-N 3.3Å; G531-K535 WeakPolarHBondContact O-CG 3.49Å; G531-H538 WeakPolarHBondContact CA-ND1 3.47Å; G531-H538 PolarHBondContact N-CE1 3.29Å; G531-H538 PolarHBondContact N-ND1 3.11Å; G531-F540 WeakPolarHBondContact CA-O 3.28Å
532G95.9Very high95.6Very high0 Ų048.5 Ų48.50%025%0.254CS..BIsolated β-bridgetrans100.3-173.1-175.400000114.3D534 F540 S541 C542G532-D534 PolarHBondContact O-N 2.9Å; G532-F540 PolarHBondContact N-O 3.38Å; G532-S541 WeakPolarHBondContact O-CA 3.5Å; G532-C542 CarbonylContact C-O 3.49Å; G532-C542 PolarHBondContact O-N 3.15Å
533P94.4Very high95.5Very high24 Ų2448.4 Ų48.416%0.15625%0.253CS..THydrogen-bonded Turntrans-60.9-47.6-171.520.5-31.8000112.2K535 C542 V543 R560P533-K535 VanDerWaalsContact C-N 3.28Å; P533-K535 PolarHBondContact O-N 2.87Å; P533-C542 WeakPolarHBondContact CA-O 3.2Å; P533-C542 VanDerWaalsContact N-O 3.07Å; P533-V543 HydrophobicContact CB-CG1 4.12Å; P533-R560 PolarHBondContact O-NH2 2.9Å
534D93.7Very high95.4Very high127 Ų12748 Ų4868%0.67925%0.251SS*.THydrogen-bonded Turntrans-9215.9-169.1-53.9-40.5000114G532 R560G532-D534 PolarHBondContact O-N 2.9Å; D534-R560 IonicContact OD1-CZ 2.87Å; D534-R560 IonicContact OD1-NH1 2.93Å; D534-R560 IonicContact OD1-NH2 2.84Å; D534-R560 PolarHBondContact OD1-NH2 2.97Å
535K93.5Very high95.1Very high118 Ų11843.8 Ų43.851%0.51323%0.232SC..  trans-107.455.8179.4-61.7-61-170.5179.30111.5G530 G531 P533 G537 H538 S541G530-K535 WeakPolarHBondContact O-CG 3.35Å; G531-K535 WeakPolarHBondContact O-CG 3.49Å; P533-K535 VanDerWaalsContact C-N 3.28Å; P533-K535 PolarHBondContact O-N 2.87Å; K535-G537 PolarHBondContact O-N 2.83Å; K535-H538 HydrophobicContact CB-CB 3.83Å; K535-H538 WeakPolarHBondContact O-CB 3.41Å; K535-H538 PolarHBondContact O-N 3.22Å; K535-S541 VanDerWaalsContact O-CB 3.25Å; K535-S541 WeakPolarHBondContact O-CB 3.43Å
536K89Confident94.7Very high150 Ų15043.4 Ų43.465%0.65223%0.23SC*.THydrogen-bonded Turntrans-48129.8-179176.3164.4177.3170.50111.7H538 D565K536-H538 VanDerWaalsContact C-N 3.27Å; K536-H538 PolarHBondContact O-N 2.93Å; K536-D565 WeakPolarHBondContact CA-O 3.41Å; K536-D565 HydrophobicContact CD-CB 4.27Å; K536-D565 VanDerWaalsContact CE-OD1 3.24Å; K536-D565 WeakPolarHBondContact CE-OD1 3.43Å; K536-D565 WeakPolarHBondContact CG-O 3.26Å; K536-D565 IonicContact NZ-OD1 2.65Å; K536-D565 PolarHBondContact NZ-OD1 3.46Å
537G86Confident93.9Very high52 Ų5245.7 Ų45.754%0.53625%0.254SS..THydrogen-bonded Turntrans81.4-11.9-178.900000115.7K535K535-G537 PolarHBondContact O-N 2.83Å
538H95.9Very high93.3Very high69 Ų6947.1 Ų47.132%0.31926%0.263SS..  trans-65148174.6-168.9-99.4000111.2Q529 G531 K535 K536 F540 S541Q529-H538 PolarHBondContact O-CE1 3.33Å; Q529-H538 VanDerWaalsContact O-CE1 3.3Å; G531-H538 WeakPolarHBondContact CA-ND1 3.47Å; G531-H538 PolarHBondContact N-CE1 3.29Å; G531-H538 PolarHBondContact N-ND1 3.11Å; K535-H538 HydrophobicContact CB-CB 3.83Å; K535-H538 WeakPolarHBondContact O-CB 3.41Å; K535-H538 PolarHBondContact O-N 3.22Å; K536-H538 VanDerWaalsContact C-N 3.27Å; K536-H538 PolarHBondContact O-N 2.93Å; H538-F540 AromaticContact CE1-CD2 3.86Å; H538-F540 PolarHBondContact ND1-N 3.22Å; H538-F540 VanDerWaalsContact ND1-N 3.12Å; H538-F540 PolarHBondContact O-N 3.43Å; H538-S541 VanDerWaalsContact O-CB 3.31Å; H538-S541 WeakPolarHBondContact O-CB 3.15Å; H538-S541 PolarHBondContact O-N 3.16Å; H538-S541 PolarHBondContact O-OG 3.15Å
539Q95.7Very high93Very high67 Ų6743.7 Ų43.731%0.31325%0.245SC..THydrogen-bonded Turntrans-57.2-34.2-179.4-175.6175.13100112I501 F568I501-Q539 HydrophobicContact CG2-CG 4.06Å; Q539-F568 WeakPolarHBondContact O-CE2 3.43Å; Q539-F568 WeakPolarHBondContact O-CZ 3.19Å
540F97.9Very high92.6Very high6 Ų648.3 Ų48.33%0.02626%0.264CS..THydrogen-bonded Turntrans-102.625.9176.6-62.6-72.2000113.8V498 I501 K502 F526 Q529 G531 G532 H538 C542 F568V498-F540 HydrophobicContact CB-CE1 4.34Å; V498-F540 HydrophobicContact CG1-CE1 4.01Å; V498-F540 HydrophobicContact CG1-CZ 3.77Å; V498-F540 HydrophobicContact CG2-CE1 4.14Å; I501-F540 HydrophobicContact CB-CE1 4.03Å; I501-F540 HydrophobicContact CD1-CD1 4.16Å; I501-F540 HydrophobicContact CD1-CE1 3.95Å; I501-F540 HydrophobicContact CG2-CD1 4.25Å; I501-F540 HydrophobicContact CG2-CE1 3.6Å; I501-F540 HydrophobicContact CG2-CZ 4.09Å; K502-F540 HydrophobicContact CD-CZ 4.36Å; K502-F540 HydrophobicContact CG-CZ 4Å; F526-F540 HydrophobicContact CB-CB 4.06Å; F526-F540 HydrophobicContact CD1-CD1 4.02Å; F526-F540 HydrophobicContact CD2-CB 4.33Å; F526-F540 HydrophobicContact CD2-CD1 4.27Å; F526-F540 HydrophobicContact CE1-CD1 4.13Å; F526-F540 HydrophobicContact CE2-CD1 4.39Å; F526-F540 HydrophobicContact CG-CB 4.14Å; F526-F540 HydrophobicContact CG-CD1 4.12Å; F526-F540 HydrophobicContact CZ-CD1 4.33Å; Q529-F540 HydrophobicContact CB-CB 4.47Å; Q529-F540 HydrophobicContact CB-CD2 3.7Å; Q529-F540 HydrophobicContact CB-CE2 4.16Å; Q529-F540 HydrophobicContact CB-CG 4.02Å; G531-F540 WeakPolarHBondContact CA-O 3.28Å; G532-F540 PolarHBondContact N-O 3.38Å; H538-F540 AromaticContact CE1-CD2 3.86Å; H538-F540 PolarHBondContact ND1-N 3.22Å; H538-F540 VanDerWaalsContact ND1-N 3.12Å; H538-F540 PolarHBondContact O-N 3.43Å; F540-C542 PolarHBondContact O-N 3.49Å; F540-F568 HydrophobicContact CD1-CE2 4.37Å
541S98.3Very high91.7Very high1 Ų148.6 Ų48.61%0.00726%0.26CS..BIsolated β-bridgetrans-67.8124.7174.457.90000110.4G532 K535 H538 R567 F568G532-S541 WeakPolarHBondContact O-CA 3.5Å; K535-S541 VanDerWaalsContact O-CB 3.25Å; K535-S541 WeakPolarHBondContact O-CB 3.43Å; H538-S541 VanDerWaalsContact O-CB 3.31Å; H538-S541 WeakPolarHBondContact O-CB 3.15Å; H538-S541 PolarHBondContact O-N 3.16Å; H538-S541 PolarHBondContact O-OG 3.15Å; S541-R567 PolarHBondContact O-N 3.07Å; S541-R567 WeakPolarHBondContact OG-CG 3.39Å; S541-R567 PolarHBondContact OG-N 3Å; S541-F568 PolarHBondContact O-N 2.94Å
542C98.1Very high91Very high0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-152.4159.8-170.567.20000113.1F526 G532 P533 F540 F568 I570F526-C542 HydrophobicContact CD2-CB 3.79Å; F526-C542 HydrophobicContact CE2-CB 4.43Å; G532-C542 CarbonylContact C-O 3.49Å; G532-C542 PolarHBondContact O-N 3.15Å; P533-C542 WeakPolarHBondContact CA-O 3.2Å; P533-C542 VanDerWaalsContact N-O 3.07Å; F540-C542 PolarHBondContact O-N 3.49Å; C542-F568 CarbonylContact C-O 3.53Å; C542-F568 WeakPolarHBondContact CA-O 3.34Å; C542-F568 HydrophobicContact CB-CB 3.8Å; C542-F568 HydrophobicContact CB-CD2 4.46Å; C542-I570 HydrophobicContact CB-CD1 4.04Å; C542-I570 HydrophobicContact CB-CG1 4.48Å
543V96.9Very high90.8Very high0 Ų057.6 Ų57.60%030%0.3CS..EExtended strand (participates in β ladder)trans-138.8149.9171.7-70.50000110.6P533 N557 V566 F568 L569 I570P533-V543 HydrophobicContact CB-CG1 4.12Å; V543-N557 HydrophobicContact CB-CB 3.69Å; V543-N557 HydrophobicContact CG1-CB 4.16Å; V543-N557 HydrophobicContact CG2-CB 3.75Å; V543-N557 WeakPolarHBondContact CG2-O 3.04Å; V543-V566 HydrophobicContact CB-CG2 4.45Å; V543-V566 HydrophobicContact CG1-CG1 4.07Å; V543-V566 HydrophobicContact CG1-CG2 4.02Å; V543-V566 HydrophobicContact CG2-CG2 3.76Å; V543-F568 PolarHBondContact N-O 2.9Å; V543-L569 HydrophobicContact CG2-CD1 3.84Å; V543-I570 PolarHBondContact O-N 3.16Å
544C95.9Very high90.4Very high0 Ų057.3 Ų57.30%030%0.296CS..EExtended strand (participates in β ladder)trans-92.3145.2173.9-75.90000114.2C519 E523 R549 N557 I570C519-C544 PolarHBondContact O-SG 3.37Å; C519-C544 VanDerWaalsContact O-SG 3.35Å; E523-C544 WeakPolarHBondContact CB-SG 3.39Å; E523-C544 PolarHBondContact OE1-N 2.94Å; E523-C544 PolarHBondContact OE1-SG 3.18Å; E523-C544 VanDerWaalsContact OE1-SG 3.41Å; C544-R549 HydrophobicContact CB-CG 4.41Å; C544-N557 PolarHBondContact O-ND2 3.1Å; C544-I570 CarbonylContact C-O 3.32Å; C544-I570 VanDerWaalsContact CA-O 3.32Å; C544-I570 WeakPolarHBondContact CA-O 3.5Å
545L91.6Very high89.9Confident0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-136.199.4172-169.582000110.8R554 L569 I570 C571 A575 I579L545-R554 HydrophobicContact CD1-CB 3.53Å; L545-R554 HydrophobicContact CD1-CG 3.93Å; L545-R554 WeakPolarHBondContact CD1-O 3.43Å; L545-L569 HydrophobicContact CB-CD1 3.82Å; L545-I570 PolarHBondContact N-O 2.82Å; L545-C571 HydrophobicContact CB-CB 4.12Å; L545-C571 VanDerWaalsContact O-CA 3.32Å; L545-C571 WeakPolarHBondContact O-CA 3.16Å; L545-C571 WeakPolarHBondContact O-CB 3.22Å; L545-A575 HydrophobicContact CD2-CB 4.33Å; L545-A575 HydrophobicContact CG-CB 4.16Å; L545-A575 WeakPolarHBondContact O-CB 3.47Å; L545-I579 HydrophobicContact CD2-CD1 3.12Å; L545-I579 HydrophobicContact CD2-CG1 4.3Å
546H89Confident89.8Confident0 Ų054.9 Ų54.90%028%0.281CS..SBendtrans-154.7168.1174.658.892.1000111.2K516 D520 D548 R549 R554 T572K516-H546 HydrophobicContact CB-CB 4.39Å; K516-H546 WeakPolarHBondContact CB-ND1 3.36Å; K516-H546 HydrophobicContact CG-CB 4.06Å; D520-H546 IonicContact OD1-CE1 2.67Å; D520-H546 PolarHBondContact OD1-CE1 2.83Å; D520-H546 IonicContact OD1-NE2 4Å; D520-H546 PolarHBondContact OD1-NE2 2.82Å; D520-H546 IonicContact OD2-CE1 3.25Å; D520-H546 IonicContact OD2-NE2 2.91Å; H546-D548 PolarHBondContact O-N 3.49Å; H546-R549 WeakPolarHBondContact NE2-CG 3.39Å; H546-R549 PolarHBondContact NE2-NE 3.18Å; H546-R549 PolarHBondContact O-N 2.65Å; H546-R549 VanDerWaalsContact O-N 3.12Å; H546-R554 WeakPolarHBondContact O-CD 3.34Å; H546-R554 PolarHBondContact O-NE 3.01Å; H546-T572 HydrophobicContact CB-CG2 4.11Å
547G80.5Confident90Very high48 Ų4848 Ų4850%0.49525%0.252SS..THydrogen-bonded Turntrans-66.1-9.6-168.700000117.2
548D85.6Confident90.1Very high112 Ų11246.6 Ų46.660%0.59923%0.231SC*.THydrogen-bonded Turntrans-93.8-15.1176.3-71.3-3.9000112.7K516 H546K516-D548 HydrophobicContact CD-CB 3.98Å; K516-D548 WeakPolarHBondContact CD-OD1 3.34Å; K516-D548 WeakPolarHBondContact CD-OD2 3.24Å; K516-D548 IonicContact NZ-OD1 3.03Å; K516-D548 PolarHBondContact NZ-OD1 3.36Å; K516-D548 IonicContact NZ-OD2 3.1Å; H546-D548 PolarHBondContact O-N 3.49Å
549R88.3Confident89.9Confident45 Ų4547 Ų4717%0.1723%0.234CC..SBendtrans-71147.7169.3-60-49.1-172.9123.3-3.2110.2D520 E523 C544 H546 E553 R554D520-R549 IonicContact OD1-CZ 3.61Å; D520-R549 IonicContact OD1-NE 3.33Å; D520-R549 PolarHBondContact OD1-NE 3.4Å; D520-R549 IonicContact OD1-NH2 2.84Å; D520-R549 PolarHBondContact OD1-NH2 3.42Å; E523-R549 IonicContact OE1-NH2 2.83Å; E523-R549 IonicContact OE2-CZ 3.46Å; E523-R549 IonicContact OE2-NH1 2.62Å; E523-R549 IonicContact OE2-NH2 3.29Å; E523-R549 PolarHBondContact OE2-NH2 3.42Å; C544-R549 HydrophobicContact CB-CG 4.41Å; H546-R549 WeakPolarHBondContact NE2-CG 3.39Å; H546-R549 PolarHBondContact NE2-NE 3.18Å; H546-R549 PolarHBondContact O-N 2.65Å; H546-R549 VanDerWaalsContact O-N 3.12Å; R549-E553 WeakPolarHBondContact CD-OE1 3.39Å; R549-E553 IonicContact CZ-OE1 3.54Å; R549-E553 IonicContact NE-OE1 2.63Å; R549-E553 IonicContact NH1-OE1 2.87Å; R549-E553 PolarHBondContact NH1-OE1 2.98Å; R549-R554 HydrophobicContact CB-CG 3.63Å; R549-R554 WeakPolarHBondContact O-CD 3.28Å
550K86.6Confident89.7Confident156 Ų15646 Ų4668%0.67823%0.227SC*.  trans-65.1145.5-178.7-67.6179.2-177.7174.30109.9H552 E553 R554K550-H552 VanDerWaalsContact C-N 3.3Å; K550-H552 PolarHBondContact O-N 2.64Å; K550-E553 HydrophobicContact CB-CB 4.12Å; K550-E553 PolarHBondContact N-OE2 2.85Å; K550-E553 WeakPolarHBondContact O-CA 3.32Å; K550-E553 WeakPolarHBondContact O-CB 3.35Å; K550-E553 PolarHBondContact O-N 3.48Å; K550-R554 WeakPolarHBondContact O-CG 3.44Å; K550-R554 PolarHBondContact O-N 3.16Å
551P75.3Confident89.5Confident41 Ų4145.8 Ų45.827%0.26623%0.226SC..Hα-helixtrans-54.4-42.4-178.9-29.637.2000114.2R296 E553 R554 K555R296-P551 VanDerWaalsContact NH1-CG 3.25Å; P551-E553 VanDerWaalsContact C-N 3.35Å; P551-E553 PolarHBondContact O-N 2.86Å; P551-R554 PolarHBondContact O-N 3.1Å; P551-K555 PolarHBondContact O-N 3.37Å
552H83.3Confident89.1Confident142 Ų14249.8 Ų49.866%0.65724%0.243SC*.Hα-helixtrans-63.9-39.9176.8-174.267.3000112.6K550 K555 Q556K550-H552 VanDerWaalsContact C-N 3.3Å; K550-H552 PolarHBondContact O-N 2.64Å; H552-K555 PolarHBondContact O-N 3.29Å; H552-Q556 WeakPolarHBondContact O-CB 3.46Å; H552-Q556 PolarHBondContact O-N 3.05Å
553E91.1Very high88.7Confident51 Ų5156.7 Ų56.724%0.23827%0.273CS..Hα-helixtrans-64.7-44.4175.4179-169.2173.600110.8R549 K550 P551 K555 Q556 N557R549-E553 WeakPolarHBondContact CD-OE1 3.39Å; R549-E553 IonicContact CZ-OE1 3.54Å; R549-E553 IonicContact NE-OE1 2.63Å; R549-E553 IonicContact NH1-OE1 2.87Å; R549-E553 PolarHBondContact NH1-OE1 2.98Å; K550-E553 HydrophobicContact CB-CB 4.12Å; K550-E553 PolarHBondContact N-OE2 2.85Å; K550-E553 WeakPolarHBondContact O-CA 3.32Å; K550-E553 WeakPolarHBondContact O-CB 3.35Å; K550-E553 PolarHBondContact O-N 3.48Å; P551-E553 VanDerWaalsContact C-N 3.35Å; P551-E553 PolarHBondContact O-N 2.86Å; E553-K555 PolarHBondContact O-N 3.42Å; E553-Q556 PolarHBondContact O-N 3.4Å; E553-N557 VanDerWaalsContact O-CB 3.24Å; E553-N557 WeakPolarHBondContact O-CB 3.49Å; E553-N557 PolarHBondContact O-N 2.69Å; E553-N557 PolarHBondContact O-OD1 3.32Å
554R86.4Confident88.4Confident18 Ų1859 Ų597%0.06830%0.297CS..Hα-helixtrans-57.9-47.5176.8-70.1179.173.7-152.3-3111.8E297 L545 H546 R549 K550 P551 N557 L558E297-R554 IonicContact OE1-CZ 3.09Å; E297-R554 IonicContact OE1-NE 3.85Å; E297-R554 PolarHBondContact OE1-NE 2.81Å; E297-R554 IonicContact OE1-NH1 2.59Å; E297-R554 PolarHBondContact OE1-NH1 2.76Å; E297-R554 IonicContact OE1-NH2 3.52Å; E297-R554 PolarHBondContact OE1-NH2 3.29Å; E297-R554 IonicContact OE2-CZ 3.91Å; E297-R554 IonicContact OE2-NH1 3.55Å; E297-R554 PolarHBondContact OE2-NH1 3.07Å; E297-R554 IonicContact OE2-NH2 3.19Å; E297-R554 PolarHBondContact OE2-NH2 3.37Å; L545-R554 HydrophobicContact CD1-CB 3.53Å; L545-R554 HydrophobicContact CD1-CG 3.93Å; L545-R554 WeakPolarHBondContact CD1-O 3.43Å; H546-R554 WeakPolarHBondContact O-CD 3.34Å; H546-R554 PolarHBondContact O-NE 3.01Å; R549-R554 HydrophobicContact CB-CG 3.63Å; R549-R554 WeakPolarHBondContact O-CD 3.28Å; K550-R554 WeakPolarHBondContact O-CG 3.44Å; K550-R554 PolarHBondContact O-N 3.16Å; P551-R554 PolarHBondContact O-N 3.1Å; R554-N557 PolarHBondContact O-N 2.93Å; R554-L558 WeakPolarHBondContact O-CB 3.4Å; R554-L558 PolarHBondContact O-N 2.6Å
555K83.4Confident88.3Confident96 Ų9660.9 Ų60.942%0.41731%0.307SS..Hα-helixtrans-61.2-46.8175.4-176.2172.4-168144.50111.9E300 P551 H552 E553 N557 L558 E559E300-K555 IonicContact OE2-NZ 2.8Å; E300-K555 PolarHBondContact OE2-NZ 3.02Å; P551-K555 PolarHBondContact O-N 3.37Å; H552-K555 PolarHBondContact O-N 3.29Å; E553-K555 PolarHBondContact O-N 3.42Å; K555-N557 PolarHBondContact O-N 2.93Å; K555-L558 PolarHBondContact O-N 3.17Å; K555-E559 WeakPolarHBondContact O-CG 3.14Å; K555-E559 PolarHBondContact O-N 3.2Å
556Q91.6Very high88.5Confident99 Ų9960.9 Ų60.946%0.46331%0.307SS..Hα-helixtrans-62.6-41.9177.9-173.4-177.929.500112H552 E553 E559 R560H552-Q556 WeakPolarHBondContact O-CB 3.46Å; H552-Q556 PolarHBondContact O-N 3.05Å; E553-Q556 PolarHBondContact O-N 3.4Å; Q556-E559 PolarHBondContact O-N 3.31Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-N 3.25Å
557N93.1Very high88.8Confident6 Ų664.5 Ų64.53%0.03232%0.321CS..Hα-helixtrans-63.8-44.7178.1-75.3-4.8000111.1V543 C544 E553 R554 K555 E559 R560 F561V543-N557 HydrophobicContact CB-CB 3.69Å; V543-N557 HydrophobicContact CG1-CB 4.16Å; V543-N557 HydrophobicContact CG2-CB 3.75Å; V543-N557 WeakPolarHBondContact CG2-O 3.04Å; C544-N557 PolarHBondContact O-ND2 3.1Å; E553-N557 VanDerWaalsContact O-CB 3.24Å; E553-N557 WeakPolarHBondContact O-CB 3.49Å; E553-N557 PolarHBondContact O-N 2.69Å; E553-N557 PolarHBondContact O-OD1 3.32Å; R554-N557 PolarHBondContact O-N 2.93Å; K555-N557 PolarHBondContact O-N 2.93Å; N557-E559 VanDerWaalsContact C-N 3.34Å; N557-E559 PolarHBondContact O-N 3.3Å; N557-R560 PolarHBondContact O-N 3.49Å; N557-F561 PolarHBondContact O-N 3.38Å
558L88.7Confident89.7Confident21 Ų2162.2 Ų62.211%0.1130%0.297CS..Hα-helixtrans-58.5-46.2174.2178.357.7000111.7R554 K555 F561 K562 I579 I581R554-L558 WeakPolarHBondContact O-CB 3.4Å; R554-L558 PolarHBondContact O-N 2.6Å; K555-L558 PolarHBondContact O-N 3.17Å; L558-F561 PolarHBondContact O-N 3.35Å; L558-K562 HydrophobicContact CD1-CD 4.44Å; L558-K562 HydrophobicContact CD1-CG 4.29Å; L558-K562 HydrophobicContact CG-CD 4.41Å; L558-K562 WeakPolarHBondContact O-CG 3.42Å; L558-K562 PolarHBondContact O-N 2.82Å; L558-I579 HydrophobicContact CD1-CG2 3.48Å; L558-I579 VanDerWaalsContact CD1-CG2 3.48Å; L558-I579 HydrophobicContact CD2-CG2 3.8Å; L558-I579 HydrophobicContact CG-CG2 4.3Å; L558-I581 HydrophobicContact CD1-CD1 3.44Å; L558-I581 VanDerWaalsContact CD1-CD1 3.44Å; L558-I581 HydrophobicContact CD1-CG1 4.03Å
559E90Very high90.2Very high78 Ų7857 Ų5736%0.36427%0.269SS..Hα-helixtrans-63.3-41.9177.4-74.7-61.5128.100113K555 Q556 N557 F561 K562 K563K555-E559 WeakPolarHBondContact O-CG 3.14Å; K555-E559 PolarHBondContact O-N 3.2Å; Q556-E559 PolarHBondContact O-N 3.31Å; N557-E559 VanDerWaalsContact C-N 3.34Å; N557-E559 PolarHBondContact O-N 3.3Å; E559-F561 VanDerWaalsContact C-N 3.29Å; E559-F561 PolarHBondContact O-N 3.05Å; E559-K562 PolarHBondContact O-N 3.08Å; E559-K563 WeakPolarHBondContact O-CB 3.21Å; E559-K563 VanDerWaalsContact O-CG 3.31Å; E559-K563 WeakPolarHBondContact O-CG 3.15Å; E559-K563 PolarHBondContact O-N 3.17Å; E559-K563 IonicContact OE2-NZ 3.6Å
560R93.1Very high90.6Very high46 Ų4654.8 Ų54.817%0.17426%0.261CS..Hα-helixtrans-59.4-42.3175-73.6167.379.8160.919111P533 D534 Q556 N557 G564 D565 V566P533-R560 PolarHBondContact O-NH2 2.9Å; D534-R560 IonicContact OD1-CZ 2.87Å; D534-R560 IonicContact OD1-NH1 2.93Å; D534-R560 IonicContact OD1-NH2 2.84Å; D534-R560 PolarHBondContact OD1-NH2 2.97Å; Q556-R560 VanDerWaalsContact O-CG 3.26Å; Q556-R560 WeakPolarHBondContact O-CG 3.36Å; Q556-R560 PolarHBondContact O-N 3.25Å; N557-R560 PolarHBondContact O-N 3.49Å; R560-G564 PolarHBondContact O-N 3.29Å; R560-D565 HydrophobicContact CB-CB 4.11Å; R560-D565 HydrophobicContact CG-CB 4.44Å; R560-D565 WeakPolarHBondContact O-CB 3.37Å; R560-D565 PolarHBondContact O-N 3.43Å; R560-V566 HydrophobicContact CB-CG2 4.14Å
561F93.1Very high91Very high1 Ų147.4 Ų47.40%0.00423%0.229CC..Hα-helixtrans-67.7-45.8177179.8-100.3000112.1Q508 A509 I510 N557 L558 E559 K563 G564 V566 R567 L569 I581 V584Q508-F561 HydrophobicContact CG-CE2 3.72Å; Q508-F561 HydrophobicContact CG-CZ 3.66Å; Q508-F561 PolarHBondContact NE2-O 3.16Å; A509-F561 WeakPolarHBondContact O-CE2 3.5Å; I510-F561 HydrophobicContact CG1-CE1 4.26Å; I510-F561 HydrophobicContact CG1-CZ 3.97Å; N557-F561 PolarHBondContact O-N 3.38Å; L558-F561 PolarHBondContact O-N 3.35Å; E559-F561 VanDerWaalsContact C-N 3.29Å; E559-F561 PolarHBondContact O-N 3.05Å; F561-K563 VanDerWaalsContact C-N 3.29Å; F561-K563 PolarHBondContact O-N 2.91Å; F561-G564 PolarHBondContact O-N 3.38Å; F561-V566 HydrophobicContact CB-CG2 4.11Å; F561-V566 HydrophobicContact CD2-CG2 4.47Å; F561-R567 WeakPolarHBondContact CE2-O 3.39Å; F561-L569 HydrophobicContact CB-CB 4.37Å; F561-L569 HydrophobicContact CD1-CB 4.05Å; F561-L569 HydrophobicContact CD1-CD2 4.06Å; F561-L569 HydrophobicContact CD2-CB 3.59Å; F561-L569 HydrophobicContact CE1-CB 4.23Å; F561-L569 HydrophobicContact CE1-CD2 4.38Å; F561-L569 HydrophobicContact CE2-CB 3.75Å; F561-L569 HydrophobicContact CG-CB 3.72Å; F561-L569 HydrophobicContact CG-CD2 4.38Å; F561-L569 HydrophobicContact CG-CG 4.49Å; F561-L569 HydrophobicContact CZ-CB 4.06Å; F561-I581 HydrophobicContact CD1-CD1 3.62Å; F561-I581 HydrophobicContact CD1-CG1 4.39Å; F561-I581 HydrophobicContact CE1-CD1 3.74Å; F561-I581 HydrophobicContact CE1-CG1 4.37Å; F561-I581 HydrophobicContact CE1-CG2 3.8Å; F561-V584 HydrophobicContact CE1-CG1 3.96Å; F561-V584 HydrophobicContact CZ-CG1 3.78Å
562K88.7Confident91.7Very high86 Ų8646 Ų4637%0.37422%0.22SC..Hα-helixtrans-59.8-37.1177.3-75.2-172.7173.8-159.10112.7L558 E559 G564 D580 I581L558-K562 HydrophobicContact CD1-CD 4.44Å; L558-K562 HydrophobicContact CD1-CG 4.29Å; L558-K562 HydrophobicContact CG-CD 4.41Å; L558-K562 WeakPolarHBondContact O-CG 3.42Å; L558-K562 PolarHBondContact O-N 2.82Å; E559-K562 PolarHBondContact O-N 3.08Å; K562-G564 VanDerWaalsContact C-N 3.27Å; K562-G564 PolarHBondContact O-N 3.13Å; K562-D580 WeakPolarHBondContact CE-O 3.46Å; K562-D580 PolarHBondContact NZ-O 3.38Å; K562-I581 HydrophobicContact CG-CG1 4.36Å
563K90.1Very high91.7Very high145 Ų14540.2 Ų40.263%0.6319%0.193SC*.THydrogen-bonded Turntrans-79-5.7177.3-69.4174.4-174.81760114.1E559 F561 D565E559-K563 WeakPolarHBondContact O-CB 3.21Å; E559-K563 VanDerWaalsContact O-CG 3.31Å; E559-K563 WeakPolarHBondContact O-CG 3.15Å; E559-K563 PolarHBondContact O-N 3.17Å; E559-K563 IonicContact OE2-NZ 3.6Å; F561-K563 VanDerWaalsContact C-N 3.29Å; F561-K563 PolarHBondContact O-N 2.91Å; K563-D565 VanDerWaalsContact C-N 3.25Å; K563-D565 PolarHBondContact O-N 2.95Å
564G90.8Very high90.6Very high48 Ų4841.1 Ų41.150%0.49520%0.202SC..THydrogen-bonded Turntrans69.719.5-174.200000113.9R560 F561 K562 V566R560-G564 PolarHBondContact O-N 3.29Å; F561-G564 PolarHBondContact O-N 3.38Å; K562-G564 VanDerWaalsContact C-N 3.27Å; K562-G564 PolarHBondContact O-N 3.13Å; G564-V566 PolarHBondContact O-N 3.3Å
565D93.4Very high89.6Confident39 Ų3940.3 Ų40.321%0.20920%0.199CC..SBendtrans-67-28.4173.7-69.3-32.7000111.6K536 R560 K563K536-D565 WeakPolarHBondContact CA-O 3.41Å; K536-D565 HydrophobicContact CD-CB 4.27Å; K536-D565 VanDerWaalsContact CE-OD1 3.24Å; K536-D565 WeakPolarHBondContact CE-OD1 3.43Å; K536-D565 WeakPolarHBondContact CG-O 3.26Å; K536-D565 IonicContact NZ-OD1 2.65Å; K536-D565 PolarHBondContact NZ-OD1 3.46Å; R560-D565 HydrophobicContact CB-CB 4.11Å; R560-D565 HydrophobicContact CG-CB 4.44Å; R560-D565 WeakPolarHBondContact O-CB 3.37Å; R560-D565 PolarHBondContact O-N 3.43Å; K563-D565 VanDerWaalsContact C-N 3.25Å; K563-D565 PolarHBondContact O-N 2.95Å
566V96.1Very high88.8Confident1 Ų136 Ų361%0.00618%0.182CC..SBendtrans-129.3145.5173.6-64.30000109.5V543 R560 F561 G564V543-V566 HydrophobicContact CB-CG2 4.45Å; V543-V566 HydrophobicContact CG1-CG1 4.07Å; V543-V566 HydrophobicContact CG1-CG2 4.02Å; V543-V566 HydrophobicContact CG2-CG2 3.76Å; R560-V566 HydrophobicContact CB-CG2 4.14Å; F561-V566 HydrophobicContact CB-CG2 4.11Å; F561-V566 HydrophobicContact CD2-CG2 4.47Å; G564-V566 PolarHBondContact O-N 3.3Å
567R96.6Very high87.6Confident76 Ų7632.5 Ų32.529%0.28716%0.164SC..SBendtrans-78.4-32.2-178.6-65.2-168.5176-149.5-2.8112.9M506 D507 Q508 A509 S541 F561M506-R567 PolarHBondContact O-NH1 2.81Å; M506-R567 VanDerWaalsContact O-NH1 3.09Å; D507-R567 VanDerWaalsContact O-CB 3.25Å; D507-R567 WeakPolarHBondContact O-CB 3.27Å; D507-R567 WeakPolarHBondContact O-CD 3.48Å; D507-R567 WeakPolarHBondContact O-CG 3.28Å; Q508-R567 CarbonylContact C-O 3.51Å; Q508-R567 VanDerWaalsContact CA-O 3.25Å; Q508-R567 WeakPolarHBondContact CA-O 3.46Å; A509-R567 PolarHBondContact N-O 3.4Å; S541-R567 PolarHBondContact O-N 3.07Å; S541-R567 WeakPolarHBondContact OG-CG 3.39Å; S541-R567 PolarHBondContact OG-N 3Å; F561-R567 WeakPolarHBondContact CE2-O 3.39Å
568F97.9Very high85.8Confident0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-122.9133-170.9-51.3-52.3000114I501 M506 A509 I511 F526 Q539 F540 S541 C542 V543I501-F568 HydrophobicContact CB-CZ 4.2Å; I501-F568 HydrophobicContact CD1-CD2 4.1Å; I501-F568 HydrophobicContact CD1-CE1 4.31Å; I501-F568 HydrophobicContact CD1-CE2 3.56Å; I501-F568 HydrophobicContact CD1-CZ 3.72Å; I501-F568 HydrophobicContact CG1-CE1 4.12Å; I501-F568 HydrophobicContact CG1-CE2 4.02Å; I501-F568 HydrophobicContact CG1-CZ 3.64Å; I501-F568 HydrophobicContact CG2-CE2 3.87Å; I501-F568 HydrophobicContact CG2-CZ 3.52Å; M506-F568 HydrophobicContact CB-CE1 3.92Å; M506-F568 HydrophobicContact CB-CZ 4.19Å; A509-F568 HydrophobicContact CB-CD1 3.59Å; A509-F568 HydrophobicContact CB-CE1 3.8Å; A509-F568 WeakPolarHBondContact O-CA 3.4Å; I511-F568 HydrophobicContact CD1-CB 4.04Å; I511-F568 HydrophobicContact CD1-CD1 4.39Å; I511-F568 HydrophobicContact CD1-CG 4.12Å; F526-F568 HydrophobicContact CD2-CD2 4.03Å; F526-F568 HydrophobicContact CE2-CB 4.38Å; F526-F568 AromaticContact CE2-CD2 3.58Å; F526-F568 HydrophobicContact CE2-CD2 3.58Å; F526-F568 HydrophobicContact CE2-CE2 4.21Å; F526-F568 HydrophobicContact CE2-CG 4.21Å; Q539-F568 WeakPolarHBondContact O-CE2 3.43Å; Q539-F568 WeakPolarHBondContact O-CZ 3.19Å; F540-F568 HydrophobicContact CD1-CE2 4.37Å; S541-F568 PolarHBondContact O-N 2.94Å; C542-F568 CarbonylContact C-O 3.53Å; C542-F568 WeakPolarHBondContact CA-O 3.34Å; C542-F568 HydrophobicContact CB-CB 3.8Å; C542-F568 HydrophobicContact CB-CD2 4.46Å; V543-F568 PolarHBondContact N-O 2.9Å
569L96.5Very high84.7Confident1 Ų131.7 Ų31.71%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-105.5108.3168-178.664.9000108.9A509 I510 I511 V543 L545 F561 I581A509-L569 PolarHBondContact O-N 2.8Å; I510-L569 WeakPolarHBondContact CA-O 3.28Å; I511-L569 PolarHBondContact N-O 3.41Å; V543-L569 HydrophobicContact CG2-CD1 3.84Å; L545-L569 HydrophobicContact CB-CD1 3.82Å; F561-L569 HydrophobicContact CB-CB 4.37Å; F561-L569 HydrophobicContact CD1-CB 4.05Å; F561-L569 HydrophobicContact CD1-CD2 4.06Å; F561-L569 HydrophobicContact CD2-CB 3.59Å; F561-L569 HydrophobicContact CE1-CB 4.23Å; F561-L569 HydrophobicContact CE1-CD2 4.38Å; F561-L569 HydrophobicContact CE2-CB 3.75Å; F561-L569 HydrophobicContact CG-CB 3.72Å; F561-L569 HydrophobicContact CG-CD2 4.38Å; F561-L569 HydrophobicContact CG-CG 4.49Å; F561-L569 HydrophobicContact CZ-CB 4.06Å; L569-I581 HydrophobicContact CD2-CD1 3.5Å; L569-I581 VanDerWaalsContact CD2-CD1 3.5Å
570I97.9Very high83.5Confident0 Ų031.7 Ų31.70%016%0.164CC..EExtended strand (participates in β ladder)trans-92.3124.9177.7-55.1167.9000108.2I511 C519 L522 E523 F526 C542 V543 C544 L545I511-I570 HydrophobicContact CB-CG1 4.25Å; I511-I570 HydrophobicContact CD1-CG1 4.34Å; I511-I570 CarbonylContact O-C 3.6Å; I511-I570 WeakPolarHBondContact O-CA 3.44Å; C519-I570 HydrophobicContact CB-CG2 3.81Å; L522-I570 HydrophobicContact CB-CD1 4.24Å; L522-I570 HydrophobicContact CB-CG2 4.48Å; L522-I570 HydrophobicContact CD2-CD1 4.11Å; L522-I570 HydrophobicContact CD2-CG1 4.3Å; L522-I570 HydrophobicContact CD2-CG2 4.1Å; L522-I570 HydrophobicContact CG-CD1 4Å; E523-I570 HydrophobicContact CB-CD1 4.14Å; F526-I570 HydrophobicContact CD2-CD1 4.23Å; F526-I570 HydrophobicContact CE2-CD1 4.29Å; C542-I570 HydrophobicContact CB-CD1 4.04Å; C542-I570 HydrophobicContact CB-CG1 4.48Å; V543-I570 PolarHBondContact O-N 3.16Å; C544-I570 CarbonylContact C-O 3.32Å; C544-I570 VanDerWaalsContact CA-O 3.32Å; C544-I570 WeakPolarHBondContact CA-O 3.5Å; L545-I570 PolarHBondContact N-O 2.82Å
571C95Very high82.4Confident0 Ų030.1 Ų30.10%016%0.158CC..EExtended strand (participates in β ladder)trans-151.2168.4-171.264.80000114.5I511 F512 C513 C519 L545I511-C571 PolarHBondContact O-N 2.95Å; F512-C571 WeakPolarHBondContact CA-O 3.05Å; C513-C571 PolarHBondContact N-O 2.96Å; C519-C571 VanDerWaalsContact SG-C 3.55Å; L545-C571 HydrophobicContact CB-CB 4.12Å; L545-C571 VanDerWaalsContact O-CA 3.32Å; L545-C571 WeakPolarHBondContact O-CA 3.16Å; L545-C571 WeakPolarHBondContact O-CB 3.22Å
572T90.1Very high81.2Confident13 Ų1332 Ų328%0.0817%0.167CC..  trans-104.3157.8169.555.50000109.6H546 V574 A575 A576H546-T572 HydrophobicContact CB-CG2 4.11Å; T572-V574 VanDerWaalsContact C-N 3.29Å; T572-V574 PolarHBondContact O-N 2.99Å; T572-A575 PolarHBondContact O-N 3.46Å; T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.47Å
573D82.3Confident80.4Confident20 Ų2028.8 Ų28.811%0.10716%0.158CC..Hα-helixtrans-51.6-47.2178.8-66.7-66.1000112.9A575 A576 R577 R602D573-A575 PolarHBondContact O-N 3.47Å; D573-A576 PolarHBondContact O-N 3.27Å; D573-A576 VanDerWaalsContact O-N 3.08Å; D573-R577 WeakPolarHBondContact O-CG 3.4Å; D573-R577 PolarHBondContact O-N 3.32Å; D573-R602 IonicContact OD1-CZ 3.27Å; D573-R602 IonicContact OD1-NE 2.93Å; D573-R602 PolarHBondContact OD1-NE 3.27Å; D573-R602 IonicContact OD1-NH2 3.06Å; D573-R602 PolarHBondContact OD1-NH2 3.29Å; D573-R602 IonicContact OD2-CZ 2.7Å; D573-R602 IonicContact OD2-NE 3.37Å; D573-R602 IonicContact OD2-NH2 3.97Å; D573-R602 PolarHBondContact OD2-NH2 3.33Å
574V67.6Low80.2Confident69 Ų6922 Ų2242%0.41813%0.129SC..Hα-helixtrans-58.4-37.6-178.3177.50000111.7T572T572-V574 VanDerWaalsContact C-N 3.29Å; T572-V574 PolarHBondContact O-N 2.99Å
575A66Low80.1Confident1 Ų120.3 Ų20.31%0.00811%0.109CC..Hα-helixtrans-81-29.118000000112.6L545 T572 D573 I579L545-A575 HydrophobicContact CD2-CB 4.33Å; L545-A575 HydrophobicContact CG-CB 4.16Å; L545-A575 WeakPolarHBondContact O-CB 3.47Å; T572-A575 PolarHBondContact O-N 3.46Å; D573-A575 PolarHBondContact O-N 3.47Å; A575-I579 VanDerWaalsContact O-CD1 3.27Å; A575-I579 WeakPolarHBondContact O-CD1 3.45Å; A575-I579 WeakPolarHBondContact O-CG1 3.4Å
576A67.2Low80.2Confident6 Ų619 Ų195%0.0510%0.101CC..Hα-helixtrans-84.2-27.9-178.600000114.1F512 T572 D573 G578 I579 R605F512-A576 HydrophobicContact CD1-CB 4.37Å; F512-A576 HydrophobicContact CE1-CB 3.37Å; F512-A576 HydrophobicContact CZ-CB 3.98Å; T572-A576 WeakPolarHBondContact O-CB 3.34Å; T572-A576 PolarHBondContact O-N 3.47Å; D573-A576 PolarHBondContact O-N 3.27Å; D573-A576 VanDerWaalsContact O-N 3.08Å; A576-G578 PolarHBondContact O-N 3.06Å; A576-I579 WeakPolarHBondContact O-CG1 3.36Å; A576-I579 PolarHBondContact O-N 3.34Å; A576-R605 PolarHBondContact O-NH2 2.81Å
577R66.7Low80.1Confident25 Ų2519 Ų199%0.09410%0.101CC..THydrogen-bonded Turntrans-51.4126.8176.8-84.5-178.1-178.5166-5.9109.7D573 I579 E595 N598D573-R577 WeakPolarHBondContact O-CG 3.4Å; D573-R577 PolarHBondContact O-N 3.32Å; R577-I579 PolarHBondContact O-N 2.84Å; R577-I579 VanDerWaalsContact O-N 3.13Å; R577-E595 IonicContact NH2-OE2 3.66Å; R577-E595 PolarHBondContact NH2-OE2 2.79Å; R577-N598 PolarHBondContact NE-OD1 2.83Å; R577-N598 PolarHBondContact NH2-ND2 2.71Å; R577-N598 PolarHBondContact NH2-OD1 3.28Å
578G55.1Low80.2Confident4 Ų415.3 Ų15.34%0.0419%0.087CC..THydrogen-bonded Turntrans70.6-1.417500000118L298 Q301 A576 D580L298-G578 WeakPolarHBondContact CD2-O 3.15Å; Q301-G578 PolarHBondContact OE1-O 3.41Å; Q301-G578 VanDerWaalsContact OE1-O 3.09Å; A576-G578 PolarHBondContact O-N 3.06Å; G578-D580 PolarHBondContact O-N 3.34Å
579I65.6Low80.2Confident7 Ų715.3 Ų15.34%0.0369%0.087CC..  trans-61.3125.1168.4-52175.1000108.5L545 L558 A575 A576 R577 I581 R605L545-I579 HydrophobicContact CD2-CD1 3.12Å; L545-I579 HydrophobicContact CD2-CG1 4.3Å; L558-I579 HydrophobicContact CD1-CG2 3.48Å; L558-I579 VanDerWaalsContact CD1-CG2 3.48Å; L558-I579 HydrophobicContact CD2-CG2 3.8Å; L558-I579 HydrophobicContact CG-CG2 4.3Å; A575-I579 VanDerWaalsContact O-CD1 3.27Å; A575-I579 WeakPolarHBondContact O-CD1 3.45Å; A575-I579 WeakPolarHBondContact O-CG1 3.4Å; A576-I579 WeakPolarHBondContact O-CG1 3.36Å; A576-I579 PolarHBondContact O-N 3.34Å; R577-I579 PolarHBondContact O-N 2.84Å; R577-I579 VanDerWaalsContact O-N 3.13Å; I579-I581 HydrophobicContact CG2-CB 4.44Å; I579-I581 HydrophobicContact CG2-CD1 3.68Å; I579-I581 HydrophobicContact CG2-CG1 3.7Å; I579-I581 PolarHBondContact O-N 2.92Å; I579-R605 PolarHBondContact O-NH1 2.83Å
580D63.3Low80.3Confident78 Ų7816 Ų1642%0.4179%0.091SC..  trans-72.479.3168.5174.131.2000110.8K562 G578 H582K562-D580 WeakPolarHBondContact CE-O 3.46Å; K562-D580 PolarHBondContact NZ-O 3.38Å; G578-D580 PolarHBondContact O-N 3.34Å; D580-H582 IonicContact OD1-CD2 2.87Å; D580-H582 PolarHBondContact OD1-CD2 2.91Å; D580-H582 VanDerWaalsContact OD1-CD2 3.22Å; D580-H582 IonicContact OD1-NE2 2.7Å
581I70.5Confident80.3Confident13 Ų1316.3 Ų16.37%0.0679%0.093CC..  trans-128.3116.2163.2-66164.5000106.2I510 L558 F561 K562 L569 I579 V584I510-I581 HydrophobicContact CD1-CB 4.43Å; I510-I581 HydrophobicContact CD1-CG2 3.87Å; L558-I581 HydrophobicContact CD1-CD1 3.44Å; L558-I581 VanDerWaalsContact CD1-CD1 3.44Å; L558-I581 HydrophobicContact CD1-CG1 4.03Å; F561-I581 HydrophobicContact CD1-CD1 3.62Å; F561-I581 HydrophobicContact CD1-CG1 4.39Å; F561-I581 HydrophobicContact CE1-CD1 3.74Å; F561-I581 HydrophobicContact CE1-CG1 4.37Å; F561-I581 HydrophobicContact CE1-CG2 3.8Å; K562-I581 HydrophobicContact CG-CG1 4.36Å; L569-I581 HydrophobicContact CD2-CD1 3.5Å; L569-I581 VanDerWaalsContact CD2-CD1 3.5Å; I579-I581 HydrophobicContact CG2-CB 4.44Å; I579-I581 HydrophobicContact CG2-CD1 3.68Å; I579-I581 HydrophobicContact CG2-CG1 3.7Å; I579-I581 PolarHBondContact O-N 2.92Å; I581-V584 HydrophobicContact CG2-CG1 3.58Å
582H68.8Low80.4Confident41 Ų4116.3 Ų16.319%0.199%0.093CC..  trans-134.8149.9177.5-62.4-77.9000111.1T48 D580 R608T48-H582 PolarHBondContact O-CE1 3.43Å; T48-H582 VanDerWaalsContact O-CE1 3.26Å; D580-H582 IonicContact OD1-CD2 2.87Å; D580-H582 PolarHBondContact OD1-CD2 2.91Å; D580-H582 VanDerWaalsContact OD1-CD2 3.22Å; D580-H582 IonicContact OD1-NE2 2.7Å; H582-R608 PolarHBondContact O-NE 3.18Å; H582-R608 PolarHBondContact O-NH2 3.33Å
583G70.5Confident80.6Confident17 Ų1715.8 Ų15.818%0.1759%0.09CC..  trans73.228.9178.100000114.1R605 G607G583-R605 PolarHBondContact N-O 3.04Å; G583-G607 WeakPolarHBondContact CA-O 3.17Å
584V85.7Confident81Confident4 Ų418.5 Ų18.52%0.02411%0.105CC..BIsolated β-bridgetrans-66.4142.3163.8-71.20000108.5Q508 I510 F561 I581 Y586 V587 R605 V606 G607Q508-V584 HydrophobicContact CG-CG1 4.3Å; I510-V584 HydrophobicContact CD1-CG1 4.38Å; I510-V584 HydrophobicContact CD1-CG2 3.91Å; I510-V584 HydrophobicContact CG1-CG1 4.26Å; I510-V584 HydrophobicContact CG1-CG2 4.01Å; F561-V584 HydrophobicContact CE1-CG1 3.96Å; F561-V584 HydrophobicContact CZ-CG1 3.78Å; I581-V584 HydrophobicContact CG2-CG1 3.58Å; V584-Y586 VanDerWaalsContact C-N 3.29Å; V584-Y586 PolarHBondContact O-N 2.84Å; V584-V587 HydrophobicContact CG2-CG2 4.42Å; V584-R605 HydrophobicContact CG2-CB 4.18Å; V584-R605 WeakPolarHBondContact CG2-O 3.1Å; V584-R605 PolarHBondContact N-O 3.31Å; V584-V606 HydrophobicContact CG2-CG1 4.01Å; V584-V606 WeakPolarHBondContact O-CA 3.27Å; V584-V606 WeakPolarHBondContact O-CB 3.4Å; V584-G607 PolarHBondContact O-N 3.48Å
585P89.6Confident81.9Confident11 Ų1118.3 Ų18.37%0.07110%0.099CC..SBendtrans-72.5-25.2-177.123.2-27.5000112.9D507 Q508 G613 L614D507-P585 VanDerWaalsContact OD1-CG 3.31Å; D507-P585 WeakPolarHBondContact OD1-CG 3.34Å; Q508-P585 HydrophobicContact CB-CG 4.08Å; Q508-P585 VanDerWaalsContact O-CD 3.29Å; Q508-P585 WeakPolarHBondContact O-CD 3.38Å; Q508-P585 VanDerWaalsContact O-CG 3.27Å; Q508-P585 WeakPolarHBondContact O-CG 3.45Å; P585-G613 WeakPolarHBondContact O-CA 3.5Å; P585-L614 PolarHBondContact O-N 2.76Å
586Y94.8Very high82.8Confident12 Ų1221.1 Ų21.15%0.04711%0.111CC..EExtended strand (participates in β ladder)trans-136146.3-175.5-53.8-81.5000113.5H504 M506 Q508 A509 I510 V584 L614 Y690H504-Y586 HydrophobicContact CB-CE1 4.02Å; H504-Y586 PolarHBondContact O-OH 2.86Å; M506-Y586 HydrophobicContact CB-CD2 3.82Å; M506-Y586 HydrophobicContact CB-CE2 4.16Å; M506-Y586 HydrophobicContact CB-CG 4.21Å; M506-Y586 HydrophobicContact CE-CD1 3.81Å; M506-Y586 HydrophobicContact CE-CG 4.08Å; M506-Y586 HydrophobicContact CG-CD1 3.9Å; M506-Y586 HydrophobicContact CG-CD2 3.72Å; M506-Y586 HydrophobicContact CG-CE1 4.22Å; M506-Y586 HydrophobicContact CG-CE2 4.08Å; M506-Y586 HydrophobicContact CG-CG 3.64Å; M506-Y586 HydrophobicContact SD-CD1 4.25Å; M506-Y586 HydrophobicContact SD-CD2 4.48Å; M506-Y586 HydrophobicContact SD-CG 3.94Å; Q508-Y586 WeakPolarHBondContact O-CD2 3.39Å; Q508-Y586 PolarHBondContact O-N 2.8Å; A509-Y586 WeakPolarHBondContact CA-O 3.07Å; A509-Y586 WeakPolarHBondContact CB-O 3.38Å; I510-Y586 PolarHBondContact N-O 3.38Å; I510-Y586 VanDerWaalsContact N-O 3.14Å; V584-Y586 VanDerWaalsContact C-N 3.29Å; V584-Y586 PolarHBondContact O-N 2.84Å; Y586-L614 CarbonylContact C-O 3.56Å; Y586-L614 VanDerWaalsContact CA-O 3.28Å; Y586-L614 WeakPolarHBondContact CA-O 3.37Å; Y586-L614 HydrophobicContact CD1-CB 3.89Å; Y586-L614 HydrophobicContact CD1-CD2 4.23Å; Y586-L614 HydrophobicContact CD1-CG 4.47Å; Y586-L614 HydrophobicContact CE1-CB 4.2Å; Y586-L614 HydrophobicContact CE1-CD2 4.25Å; Y586-Y690 HydrophobicContact CE1-CD2 4.03Å; Y586-Y690 HydrophobicContact CE1-CG 4.07Å; Y586-Y690 PolarHBondContact OH-O 2.7Å
587V95.6Very high83.4Confident0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-130139.4166.11540000108.8I510 F512 V584 R605 V606 L614 A615 I616I510-V587 HydrophobicContact CB-CG2 4.08Å; I510-V587 CarbonylContact O-C 3.54Å; I510-V587 VanDerWaalsContact O-CA 3.28Å; I510-V587 WeakPolarHBondContact O-CA 3.48Å; F512-V587 HydrophobicContact CD2-CG1 4.07Å; F512-V587 HydrophobicContact CE2-CG1 4.21Å; F512-V587 HydrophobicContact CE2-CG2 4.31Å; V584-V587 HydrophobicContact CG2-CG2 4.42Å; V587-R605 HydrophobicContact CG2-CB 4.05Å; V587-V606 HydrophobicContact CB-CG1 3.52Å; V587-V606 HydrophobicContact CG2-CG1 3.33Å; V587-V606 VanDerWaalsContact N-CG1 3.33Å; V587-L614 PolarHBondContact N-O 3.26Å; V587-A615 HydrophobicContact CB-CB 4.26Å; V587-A615 HydrophobicContact CG1-CB 4.32Å; V587-A615 CarbonylContact O-C 3.51Å; V587-A615 WeakPolarHBondContact O-CA 3.39Å; V587-I616 PolarHBondContact O-N 2.91Å
588I98.1Very high84.2Confident0 Ų022.7 Ų22.70%012%0.119CC..EExtended strand (participates in β ladder)trans-121.6117.8170.4-57.3175.7000108.7A500 I501 M506 I510 I511 F512 V590 I616A500-I588 HydrophobicContact CB-CD1 4.08Å; I501-I588 HydrophobicContact CG1-CD1 4.05Å; M506-I588 HydrophobicContact CE-CD1 4.07Å; M506-I588 HydrophobicContact CE-CG1 4.13Å; M506-I588 HydrophobicContact SD-CD1 3.78Å; M506-I588 HydrophobicContact SD-CG1 4.2Å; I510-I588 PolarHBondContact O-N 2.92Å; I511-I588 CarbonylContact C-O 3.49Å; I511-I588 WeakPolarHBondContact CA-O 3.29Å; I511-I588 HydrophobicContact CD1-CD1 4.42Å; I511-I588 HydrophobicContact CG1-CB 4.28Å; I511-I588 HydrophobicContact CG1-CD1 4.41Å; I511-I588 HydrophobicContact CG2-CB 4.2Å; I511-I588 HydrophobicContact CG2-CG2 4.43Å; F512-I588 PolarHBondContact N-O 3.22Å; I588-V590 HydrophobicContact CG2-CG2 4.05Å; I588-V590 PolarHBondContact O-N 3.05Å; I588-I616 CarbonylContact C-O 3.55Å; I588-I616 WeakPolarHBondContact CA-O 3.48Å
589N98.4Very high85.9Confident0 Ų022.5 Ų22.50%012%0.117CC..EExtended strand (participates in β ladder)trans-88.599.7165.4-62.8-47.2000108.3T591 R602 I616 S617 L618N589-T591 VanDerWaalsContact C-N 3.26Å; N589-R602 WeakPolarHBondContact OD1-CD 3.48Å; N589-R602 PolarHBondContact OD1-NH1 3.05Å; N589-I616 PolarHBondContact N-O 3.1Å; N589-S617 PolarHBondContact ND2-OG 2.95Å; N589-L618 PolarHBondContact O-N 3.37Å
590V98.5Very high86.8Confident14 Ų1422.7 Ų22.79%0.08512%0.118CC..SBendtrans-68.9-32.8175.9178.70000110.6K493 A497 I511 F512 L522 I588K493-V590 HydrophobicContact CB-CG1 4.1Å; K493-V590 WeakPolarHBondContact CD-O 3.25Å; K493-V590 WeakPolarHBondContact CE-O 3.19Å; K493-V590 PolarHBondContact NZ-O 3.01Å; A497-V590 HydrophobicContact CB-CG2 4.4Å; I511-V590 HydrophobicContact CG2-CG2 3.45Å; I511-V590 VanDerWaalsContact CG2-CG2 3.45Å; F512-V590 WeakPolarHBondContact O-CB 3.34Å; F512-V590 PolarHBondContact O-N 2.85Å; L522-V590 HydrophobicContact CD2-CG2 4.15Å; I588-V590 HydrophobicContact CG2-CG2 4.05Å; I588-V590 PolarHBondContact O-N 3.05Å
591T97.5Very high87.6Confident8 Ų820.4 Ų20.45%0.04911%0.105CC..SBendtrans-132.3136175.5-41.40000107.3R514 N589 R602 Y653 E655R514-T591 HydrophobicContact CB-CG2 3.63Å; R514-T591 HydrophobicContact CG-CG2 4.4Å; N589-T591 VanDerWaalsContact C-N 3.26Å; T591-R602 PolarHBondContact O-NH1 3.27Å; T591-Y653 HydrophobicContact CG2-CD1 4.35Å; T591-Y653 HydrophobicContact CG2-CE1 3.8Å; T591-E655 WeakPolarHBondContact CG2-OE1 3.4Å
592L97.2Very high88.5Confident0 Ų019.8 Ų19.80%010%0.102CC..  trans-61.9147.2172.5-74.1-176.2000110.8Y599 V619 Y653 E655 L658 L659 I662L592-Y599 HydrophobicContact CD2-CD2 4.25Å; L592-Y599 HydrophobicContact CD2-CE2 4.25Å; L592-V619 HydrophobicContact CD1-CG1 4.29Å; L592-V619 HydrophobicContact CD1-CG2 3.82Å; L592-V619 HydrophobicContact CD2-CG2 4.23Å; L592-V619 HydrophobicContact CG-CG2 4.01Å; L592-Y653 PolarHBondContact O-OH 3.22Å; L592-E655 HydrophobicContact CB-CG 4.42Å; L592-E655 HydrophobicContact CD1-CB 4.18Å; L592-E655 WeakPolarHBondContact CD1-O 3.46Å; L592-E655 PolarHBondContact N-OE1 3.33Å; L592-L658 HydrophobicContact CD1-CB 4.22Å; L592-L659 HydrophobicContact CD1-CB 4Å; L592-I662 HydrophobicContact CD1-CD1 4.33Å; L592-I662 HydrophobicContact CD2-CD1 4.26Å
593P93.8Very high89.4Confident1 Ų117.9 Ų17.91%0.0069%0.093CC..  trans-65.8152.5175.426.5-30.9000111.9E595 N598 Y653P593-E595 PolarHBondContact O-N 3.26Å; P593-N598 HydrophobicContact CB-CB 3.62Å; P593-N598 HydrophobicContact CG-CB 4.15Å; P593-Y653 VanDerWaalsContact C-OH 3.24Å; P593-Y653 PolarHBondContact O-OH 3.28Å
594D90.9Very high89.9Confident78 Ų7818.5 Ų18.542%0.41710%0.099SC..SBendtrans-68-21.2176.9-59.9-75.6000112.4R514 Y653R514-D594 IonicContact CZ-OD1 2.69Å; R514-D594 VanDerWaalsContact CZ-OD1 3.29Å; R514-D594 IonicContact NE-OD1 3.64Å; R514-D594 PolarHBondContact NE-OD1 3.12Å; R514-D594 IonicContact NE-OD2 2.86Å; R514-D594 IonicContact NH2-OD1 2.6Å; R514-D594 PolarHBondContact NH2-OD1 3.44Å; D594-Y653 WeakPolarHBondContact CA-OH 3.44Å; D594-Y653 PolarHBondContact N-OH 2.83Å; D594-Y653 WeakPolarHBondContact OD1-CE2 3.46Å; D594-Y653 PolarHBondContact OD1-OH 3.16Å
595E85.3Confident89.6Confident65 Ų6518.8 Ų18.830%0.30410%0.1SC..SBendtrans-123.6135.4179.4-58169.515700109.9T377 R577 P593 Q597 N598T377-E595 VanDerWaalsContact CG2-OE1 3.23Å; T377-E595 WeakPolarHBondContact CG2-OE1 3.43Å; T377-E595 PolarHBondContact OG1-OE1 2.91Å; R577-E595 IonicContact NH2-OE2 3.66Å; R577-E595 PolarHBondContact NH2-OE2 2.79Å; P593-E595 PolarHBondContact O-N 3.26Å; E595-Q597 VanDerWaalsContact C-N 3.32Å; E595-Q597 PolarHBondContact O-N 3Å; E595-N598 WeakPolarHBondContact O-CB 3.32Å; E595-N598 PolarHBondContact O-N 2.64Å; E595-N598 VanDerWaalsContact O-N 3.13Å; E595-N598 PolarHBondContact OE2-ND2 3.41Å
596K85.4Confident89.1Confident59 Ų5918.4 Ų18.426%0.25710%0.097SC..Hα-helixtrans-60.8-33.8-177.564.6-161.3-160.6169.30114.4N598 Y599 I662 H665K596-N598 VanDerWaalsContact C-N 3.27Å; K596-N598 PolarHBondContact O-N 3.13Å; K596-Y599 WeakPolarHBondContact O-CB 3.19Å; K596-Y599 PolarHBondContact O-N 2.98Å; K596-I662 HydrophobicContact CB-CG1 3.86Å; K596-H665 HydrophobicContact CB-CB 4.39Å; K596-H665 HydrophobicContact CD-CB 3.75Å; K596-H665 HydrophobicContact CG-CB 4.14Å
597Q80.1Confident87.6Confident56 Ų5618.4 Ų18.426%0.26210%0.101SC..Hα-helixtrans-64-34.8177.8-62.782.1300111.6T409 E595 Y599 V600 H601T409-Q597 HydrophobicContact CG2-CB 4.27Å; T409-Q597 HydrophobicContact CG2-CG 4Å; E595-Q597 VanDerWaalsContact C-N 3.32Å; E595-Q597 PolarHBondContact O-N 3Å; Q597-Y599 PolarHBondContact O-N 3.4Å; Q597-V600 PolarHBondContact O-N 2.92Å; Q597-H601 PolarHBondContact O-CD2 2.87Å; Q597-H601 PolarHBondContact O-N 3.14Å
598N84.3Confident86.1Confident9 Ų925.2 Ų25.25%0.04813%0.126CC..Hα-helixtrans-64.1-24.9177-67.8-35.7000111.6R577 P593 E595 K596 H601 R602R577-N598 PolarHBondContact NE-OD1 2.83Å; R577-N598 PolarHBondContact NH2-ND2 2.71Å; R577-N598 PolarHBondContact NH2-OD1 3.28Å; P593-N598 HydrophobicContact CB-CB 3.62Å; P593-N598 HydrophobicContact CG-CB 4.15Å; E595-N598 WeakPolarHBondContact O-CB 3.32Å; E595-N598 PolarHBondContact O-N 2.64Å; E595-N598 VanDerWaalsContact O-N 3.13Å; E595-N598 PolarHBondContact OE2-ND2 3.41Å; K596-N598 VanDerWaalsContact C-N 3.27Å; K596-N598 PolarHBondContact O-N 3.13Å; N598-H601 WeakPolarHBondContact O-CB 2.96Å; N598-H601 PolarHBondContact O-N 3.44Å; N598-R602 WeakPolarHBondContact O-CG 3.44Å; N598-R602 PolarHBondContact O-N 3.46Å
599Y90.7Very high84Confident0 Ų030.2 Ų30.20%017%0.168CC..Hα-helixtrans-60.2-50.4175.4-178.5-102000111.3H443 L592 K596 Q597 H601 R602 I603 S617 I662 L666 I670H443-Y599 AromaticContact ND1-CE1 3.69Å; H443-Y599 AromaticContact ND1-CZ 3.91Å; H443-Y599 PolarHBondContact ND1-OH 3.44Å; L592-Y599 HydrophobicContact CD2-CD2 4.25Å; L592-Y599 HydrophobicContact CD2-CE2 4.25Å; K596-Y599 WeakPolarHBondContact O-CB 3.19Å; K596-Y599 PolarHBondContact O-N 2.98Å; Q597-Y599 PolarHBondContact O-N 3.4Å; Y599-H601 VanDerWaalsContact C-N 3.29Å; Y599-H601 PolarHBondContact O-N 3.45Å; Y599-R602 PolarHBondContact O-N 3.33Å; Y599-R602 VanDerWaalsContact O-N 3.12Å; Y599-I603 HydrophobicContact CD1-CD1 4.11Å; Y599-I603 HydrophobicContact CE1-CD1 3.66Å; Y599-I603 HydrophobicContact CE1-CG2 4.36Å; Y599-I603 HydrophobicContact CE2-CG2 4.19Å; Y599-I603 WeakPolarHBondContact O-CG1 3.3Å; Y599-I603 PolarHBondContact O-N 2.74Å; Y599-S617 WeakPolarHBondContact CE2-OG 3.45Å; Y599-I662 HydrophobicContact CD1-CG2 3.41Å; Y599-I662 VanDerWaalsContact CD1-CG2 3.41Å; Y599-I662 HydrophobicContact CD2-CD1 3.85Å; Y599-I662 HydrophobicContact CD2-CG2 4.35Å; Y599-I662 HydrophobicContact CE1-CG2 3.72Å; Y599-I662 HydrophobicContact CG-CD1 3.88Å; Y599-I662 HydrophobicContact CG-CG1 4.24Å; Y599-I662 HydrophobicContact CG-CG2 3.75Å; Y599-L666 HydrophobicContact CD1-CD1 4.08Å; Y599-L666 HydrophobicContact CE1-CD1 3.88Å; Y599-I670 HydrophobicContact CE1-CD1 3.93Å; Y599-I670 WeakPolarHBondContact OH-CD1 3.42Å
600V83.9Confident82.3Confident10 Ų1035.9 Ų35.96%0.06119%0.194CC..Hα-helixtrans-59.5-42.6176.9-176.30000110.6D435 Q597 R602 I603 G604 L666D435-V600 HydrophobicContact CB-CG2 4.35Å; Q597-V600 PolarHBondContact O-N 2.92Å; V600-R602 VanDerWaalsContact C-N 3.33Å; V600-R602 PolarHBondContact O-N 2.81Å; V600-I603 PolarHBondContact O-N 3.07Å; V600-G604 PolarHBondContact O-N 3.43Å; V600-L666 HydrophobicContact CG2-CD2 3.75Å
601H80.2Confident80.8Confident30 Ų3039.9 Ų39.914%0.13921%0.208CC..Hα-helixtrans-62.1-35.4175.6-78.4-68.4000114.9A408 Q597 N598 Y599 R605A408-H601 WeakPolarHBondContact CB-CE1 3.46Å; A408-H601 WeakPolarHBondContact CB-NE2 3.14Å; Q597-H601 PolarHBondContact O-CD2 2.87Å; Q597-H601 PolarHBondContact O-N 3.14Å; N598-H601 WeakPolarHBondContact O-CB 2.96Å; N598-H601 PolarHBondContact O-N 3.44Å; Y599-H601 VanDerWaalsContact C-N 3.29Å; Y599-H601 PolarHBondContact O-N 3.45Å; H601-R605 PolarHBondContact O-NE 3.49Å
602R89.1Confident79.9Confident1 Ų140.9 Ų40.90%0.00421%0.212CC..Hα-helixtrans-73-47.7178.5-71.9-177.1-174.7-169.81.8111.1F512 D573 N589 T591 N598 Y599 V600 R605F512-R602 HydrophobicContact CD1-CG 3.76Å; F512-R602 HydrophobicContact CD2-CB 3.88Å; F512-R602 HydrophobicContact CD2-CG 3.81Å; F512-R602 HydrophobicContact CE1-CB 4.49Å; F512-R602 HydrophobicContact CE1-CG 3.72Å; F512-R602 HydrophobicContact CE2-CB 3.7Å; F512-R602 HydrophobicContact CE2-CG 3.8Å; F512-R602 HydrophobicContact CG-CB 4.37Å; F512-R602 HydrophobicContact CG-CG 3.8Å; F512-R602 HydrophobicContact CZ-CB 4.03Å; F512-R602 HydrophobicContact CZ-CG 3.75Å; D573-R602 IonicContact OD1-CZ 3.27Å; D573-R602 IonicContact OD1-NE 2.93Å; D573-R602 PolarHBondContact OD1-NE 3.27Å; D573-R602 IonicContact OD1-NH2 3.06Å; D573-R602 PolarHBondContact OD1-NH2 3.29Å; D573-R602 IonicContact OD2-CZ 2.7Å; D573-R602 IonicContact OD2-NE 3.37Å; D573-R602 IonicContact OD2-NH2 3.97Å; D573-R602 PolarHBondContact OD2-NH2 3.33Å; N589-R602 WeakPolarHBondContact OD1-CD 3.48Å; N589-R602 PolarHBondContact OD1-NH1 3.05Å; T591-R602 PolarHBondContact O-NH1 3.27Å; N598-R602 WeakPolarHBondContact O-CG 3.44Å; N598-R602 PolarHBondContact O-N 3.46Å; Y599-R602 PolarHBondContact O-N 3.33Å; Y599-R602 VanDerWaalsContact O-N 3.12Å; V600-R602 VanDerWaalsContact C-N 3.33Å; V600-R602 PolarHBondContact O-N 2.81Å; R602-R605 WeakPolarHBondContact O-CB 3.44Å; R602-R605 VanDerWaalsContact O-CG 3.24Å; R602-R605 WeakPolarHBondContact O-CG 3.43Å; R602-R605 PolarHBondContact O-N 3.35Å
603I88.4Confident79.4Confident0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-76.3-28.6-177.271.1173.8000112.2V437 V441 H443 Y599 V600 R605 V606 A615V437-I603 HydrophobicContact CB-CD1 4.4Å; V437-I603 HydrophobicContact CG1-CD1 3.78Å; V437-I603 HydrophobicContact CG2-CD1 3.79Å; V441-I603 HydrophobicContact CG1-CB 4.13Å; V441-I603 HydrophobicContact CG1-CD1 4.24Å; V441-I603 HydrophobicContact CG1-CG1 4.31Å; H443-I603 HydrophobicContact CB-CD1 4.28Å; H443-I603 WeakPolarHBondContact ND1-CD1 3.5Å; Y599-I603 HydrophobicContact CD1-CD1 4.11Å; Y599-I603 HydrophobicContact CE1-CD1 3.66Å; Y599-I603 HydrophobicContact CE1-CG2 4.36Å; Y599-I603 HydrophobicContact CE2-CG2 4.19Å; Y599-I603 WeakPolarHBondContact O-CG1 3.3Å; Y599-I603 PolarHBondContact O-N 2.74Å; V600-I603 PolarHBondContact O-N 3.07Å; I603-R605 PolarHBondContact O-N 3.44Å; I603-V606 WeakPolarHBondContact O-CG2 3.38Å; I603-V606 PolarHBondContact O-N 2.86Å; I603-A615 HydrophobicContact CB-CB 3.8Å; I603-A615 HydrophobicContact CG2-CB 3.56Å
604G80Confident79.3Confident30 Ų3040.9 Ų40.931%0.30921%0.212SC..THydrogen-bonded Turntrans-64.5-1.3172.300000114.6V600 V606V600-G604 PolarHBondContact O-N 3.43Å; G604-V606 VanDerWaalsContact C-N 3.33Å
605R80.2Confident79.5Confident11 Ų1137.1 Ų37.14%0.04219%0.192CC..THydrogen-bonded Turntrans-75-25168.9-56.4-55.5179.51573.9112.7I510 F512 A576 I579 G583 V584 V587 H601 R602 I603I510-R605 HydrophobicContact CD1-CB 3.85Å; I510-R605 HydrophobicContact CD1-CG 4.1Å; F512-R605 HydrophobicContact CE2-CG 4.5Å; F512-R605 HydrophobicContact CZ-CG 4.3Å; A576-R605 PolarHBondContact O-NH2 2.81Å; I579-R605 PolarHBondContact O-NH1 2.83Å; G583-R605 PolarHBondContact N-O 3.04Å; V584-R605 HydrophobicContact CG2-CB 4.18Å; V584-R605 WeakPolarHBondContact CG2-O 3.1Å; V584-R605 PolarHBondContact N-O 3.31Å; V587-R605 HydrophobicContact CG2-CB 4.05Å; H601-R605 PolarHBondContact O-NE 3.49Å; R602-R605 WeakPolarHBondContact O-CB 3.44Å; R602-R605 VanDerWaalsContact O-CG 3.24Å; R602-R605 WeakPolarHBondContact O-CG 3.43Å; R602-R605 PolarHBondContact O-N 3.35Å; I603-R605 PolarHBondContact O-N 3.44Å
606V79.5Confident80.1Confident3 Ų334 Ų342%0.01818%0.178CC..BIsolated β-bridgetrans-91.6159.1177.4-53.80000111.8V441 V584 V587 I603 G604 A615V441-V606 HydrophobicContact CB-CG2 4.32Å; V441-V606 HydrophobicContact CG1-CG2 3.7Å; V441-V606 HydrophobicContact CG2-CG2 4.02Å; V584-V606 HydrophobicContact CG2-CG1 4.01Å; V584-V606 WeakPolarHBondContact O-CA 3.27Å; V584-V606 WeakPolarHBondContact O-CB 3.4Å; V587-V606 HydrophobicContact CB-CG1 3.52Å; V587-V606 HydrophobicContact CG2-CG1 3.33Å; V587-V606 VanDerWaalsContact N-CG1 3.33Å; I603-V606 WeakPolarHBondContact O-CG2 3.38Å; I603-V606 PolarHBondContact O-N 2.86Å; G604-V606 VanDerWaalsContact C-N 3.33Å; V606-A615 HydrophobicContact CG2-CB 4.31Å
607G63.4Low80.7Confident11 Ų1131.2 Ų31.211%0.11317%0.166CC..  trans81.1155176.700000114.4G583 V584 R611G583-G607 WeakPolarHBondContact CA-O 3.17Å; V584-G607 PolarHBondContact O-N 3.48Å; G607-R611 VanDerWaalsContact CA-O 3.27Å; G607-R611 WeakPolarHBondContact CA-O 3.34Å
608R62.7Low81.6Confident143 Ų14328.6 Ų28.654%0.5415%0.153SC..BIsolated β-bridgetrans-149.6167.1165.4-70.1-163.8-176.8-140.83.1108.1T440 H582 E610 R611T440-R608 WeakPolarHBondContact CG2-O 3.35Å; H582-R608 PolarHBondContact O-NE 3.18Å; H582-R608 PolarHBondContact O-NH2 3.33Å; R608-E610 PolarHBondContact O-N 3.01Å; R608-R611 PolarHBondContact N-O 3.03Å; R608-R611 CarbonylContact O-C 3.55Å; R608-R611 PolarHBondContact O-N 3.35Å
609A55.4Low82.2Confident105 Ų10528.1 Ų28.187%0.86815%0.151SC*.THydrogen-bonded Turntrans-43.8-26.6179.700000116.3
610E61.9Low82.6Confident120 Ų12028.1 Ų28.156%0.56115%0.151SC*.THydrogen-bonded Turntrans-111.8-2.7179.1-59.1-175.916700115.1R608 K693R608-E610 PolarHBondContact O-N 3.01Å; E610-K693 WeakPolarHBondContact OE2-CE 3.45Å; E610-K693 IonicContact OE2-NZ 3.7Å; E610-K693 PolarHBondContact OE2-NZ 3.04Å
611R67.3Low83.2Confident98 Ų9829.4 Ų29.437%0.3716%0.159SC..BIsolated β-bridgetrans-139123.3-169.8-65.4-176.3-176.5170.8-0.7111.5G607 R608 K693G607-R611 VanDerWaalsContact CA-O 3.27Å; G607-R611 WeakPolarHBondContact CA-O 3.34Å; R608-R611 PolarHBondContact N-O 3.03Å; R608-R611 CarbonylContact O-C 3.55Å; R608-R611 PolarHBondContact O-N 3.35Å; R611-K693 HydrophobicContact CG-CG 4.45Å
612M78.6Confident84.1Confident29 Ų2930.7 Ų30.714%0.14317%0.165CC..  trans-69.5135.9169.2-66.2-60.8-75.300110.8T440 H442 D685 V688 Y690 G691T440-M612 WeakPolarHBondContact O-CA 3.5Å; H442-M612 HydrophobicContact CB-CE 4.25Å; M612-D685 WeakPolarHBondContact CE-OD2 3.37Å; M612-V688 HydrophobicContact CB-CG1 3.54Å; M612-V688 HydrophobicContact CG-CB 4.49Å; M612-V688 HydrophobicContact CG-CG1 3.74Å; M612-V688 HydrophobicContact CG-CG2 4Å; M612-Y690 HydrophobicContact CB-CD1 4.16Å; M612-Y690 HydrophobicContact CB-CE1 4.47Å; M612-G691 PolarHBondContact O-N 3.08Å
613G86.9Confident84.5Confident0 Ų036 Ų360%019%0.188CC..EExtended strand (participates in β ladder)trans-107.6147.6169.700000111.5T440 H442 P585T440-G613 PolarHBondContact O-N 2.89Å; H442-G613 PolarHBondContact N-O 3.09Å; P585-G613 WeakPolarHBondContact O-CA 3.5Å
614L91.9Very high84.9Confident0 Ų036.2 Ų36.20%019%0.189CC..EExtended strand (participates in β ladder)trans-110.9122.1174.6176.664.1000110.9H442 V444 P585 Y586 V587 I616 V679 Y690H442-L614 HydrophobicContact CB-CD1 4.39Å; H442-L614 CarbonylContact O-C 3.54Å; H442-L614 VanDerWaalsContact O-CA 3.31Å; H442-L614 WeakPolarHBondContact O-CA 3.22Å; V444-L614 HydrophobicContact CG2-CD1 4.34Å; P585-L614 PolarHBondContact O-N 2.76Å; Y586-L614 CarbonylContact C-O 3.56Å; Y586-L614 VanDerWaalsContact CA-O 3.28Å; Y586-L614 WeakPolarHBondContact CA-O 3.37Å; Y586-L614 HydrophobicContact CD1-CB 3.89Å; Y586-L614 HydrophobicContact CD1-CD2 4.23Å; Y586-L614 HydrophobicContact CD1-CG 4.47Å; Y586-L614 HydrophobicContact CE1-CB 4.2Å; Y586-L614 HydrophobicContact CE1-CD2 4.25Å; V587-L614 PolarHBondContact N-O 3.26Å; L614-I616 HydrophobicContact CD1-CG1 4.35Å; L614-I616 HydrophobicContact CD2-CD1 3.98Å; L614-I616 HydrophobicContact CD2-CG1 4.13Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.97Å; L614-V679 HydrophobicContact CD1-CG1 4.17Å; L614-V679 HydrophobicContact CD1-CG2 4.34Å; L614-V679 HydrophobicContact CD2-CG2 4.21Å; L614-Y690 HydrophobicContact CB-CD1 3.69Å; L614-Y690 HydrophobicContact CB-CD2 4.06Å; L614-Y690 HydrophobicContact CB-CE1 3.76Å; L614-Y690 HydrophobicContact CB-CE2 4.13Å; L614-Y690 HydrophobicContact CB-CG 3.85Å; L614-Y690 HydrophobicContact CD1-CE1 4.43Å; L614-Y690 HydrophobicContact CD2-CD2 4.03Å; L614-Y690 HydrophobicContact CD2-CE2 3.76Å; L614-Y690 HydrophobicContact CG-CE2 4.37Å
615A94.2Very high85.8Confident0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-109120.1172.100000110.7V441 H442 H443 V444 V587 I603 V606V441-A615 HydrophobicContact CG1-CB 4.45Å; H442-A615 PolarHBondContact O-N 3.49Å; H443-A615 CarbonylContact C-O 3.59Å; H443-A615 VanDerWaalsContact CA-O 3.28Å; H443-A615 WeakPolarHBondContact CA-O 3.29Å; H443-A615 HydrophobicContact CB-CB 4.01Å; V444-A615 PolarHBondContact N-O 3.23Å; V587-A615 HydrophobicContact CB-CB 4.26Å; V587-A615 HydrophobicContact CG1-CB 4.32Å; V587-A615 CarbonylContact O-C 3.51Å; V587-A615 WeakPolarHBondContact O-CA 3.39Å; I603-A615 HydrophobicContact CB-CB 3.8Å; I603-A615 HydrophobicContact CG2-CB 3.56Å; V606-A615 HydrophobicContact CG2-CB 4.31Å
616I97.3Very high86.6Confident0 Ų035 Ų350%018%0.176CC..EExtended strand (participates in β ladder)trans-109125.1179.4-59.3177.1000109V444 V446 A500 M506 V587 I588 N589 L614 L618 I677V444-I616 HydrophobicContact CG2-CB 4.4Å; V444-I616 HydrophobicContact CG2-CG1 3.97Å; V444-I616 HydrophobicContact CG2-CG2 4.47Å; V446-I616 HydrophobicContact CG2-CG2 3.82Å; A500-I616 HydrophobicContact CB-CD1 3.98Å; M506-I616 HydrophobicContact CE-CD1 3.73Å; V587-I616 PolarHBondContact O-N 2.91Å; I588-I616 CarbonylContact C-O 3.55Å; I588-I616 WeakPolarHBondContact CA-O 3.48Å; N589-I616 PolarHBondContact N-O 3.1Å; L614-I616 HydrophobicContact CD1-CG1 4.35Å; L614-I616 HydrophobicContact CD2-CD1 3.98Å; L614-I616 HydrophobicContact CD2-CG1 4.13Å; L614-I616 HydrophobicContact CG-CD1 4.36Å; L614-I616 HydrophobicContact CG-CG1 3.97Å; I616-L618 HydrophobicContact CG2-CD2 4.11Å; I616-I677 HydrophobicContact CD1-CG2 3.9Å; I616-I677 HydrophobicContact CG2-CG2 4.41Å
617S98.3Very high87.3Confident0 Ų035.7 Ų35.70%018%0.178CC..EExtended strand (participates in β ladder)trans-112.7118.4177.4-57.50000111.5V444 V445 V446 N589 Y599V444-S617 PolarHBondContact O-N 3.35Å; V445-S617 CarbonylContact C-O 3.57Å; V445-S617 WeakPolarHBondContact CA-O 3.21Å; V446-S617 PolarHBondContact N-O 3.36Å; N589-S617 PolarHBondContact ND2-OG 2.95Å; Y599-S617 WeakPolarHBondContact CE2-OG 3.45Å
618L98.6Very high88.7Confident0 Ų039.9 Ų39.90%019%0.191CC..EExtended strand (participates in β ladder)trans-85.8114.4177-52.2-175.3000108.8V446 V448 K493 Y496 N589 I616V446-L618 HydrophobicContact CB-CD2 3.95Å; V446-L618 HydrophobicContact CG1-CD2 4.43Å; V446-L618 HydrophobicContact CG2-CD2 4.4Å; V448-L618 HydrophobicContact CG2-CB 4.01Å; K493-L618 HydrophobicContact CB-CD1 4.38Å; K493-L618 HydrophobicContact CG-CB 4.29Å; K493-L618 HydrophobicContact CG-CD1 4.36Å; K493-L618 WeakPolarHBondContact O-CD1 3.49Å; Y496-L618 HydrophobicContact CD2-CD2 4.32Å; N589-L618 PolarHBondContact O-N 3.37Å; I616-L618 HydrophobicContact CG2-CD2 4.11Å
619V98.4Very high90Very high0 Ų035.6 Ų35.60%018%0.177CC..EExtended strand (participates in β ladder)trans-115116.7-172179.90000110.8V445 V446 P447 V448 L592 T621 E655 M656 L659V445-V619 HydrophobicContact CB-CG2 4.4Å; V445-V619 HydrophobicContact CG1-CB 3.87Å; V445-V619 HydrophobicContact CG1-CG2 3.56Å; V445-V619 HydrophobicContact CG2-CG2 4.08Å; V446-V619 PolarHBondContact O-N 2.87Å; P447-V619 CarbonylContact C-O 3.47Å; P447-V619 WeakPolarHBondContact CA-O 3.46Å; V448-V619 PolarHBondContact N-O 3.39Å; L592-V619 HydrophobicContact CD1-CG1 4.29Å; L592-V619 HydrophobicContact CD1-CG2 3.82Å; L592-V619 HydrophobicContact CD2-CG2 4.23Å; L592-V619 HydrophobicContact CG-CG2 4.01Å; V619-T621 PolarHBondContact O-N 3.06Å; V619-E655 WeakPolarHBondContact CA-OE2 3.33Å; V619-E655 HydrophobicContact CG1-CB 3.95Å; V619-M656 HydrophobicContact CG1-SD 3.85Å; V619-L659 HydrophobicContact CG1-CB 4.44Å; V619-L659 HydrophobicContact CG1-CD2 4.19Å; V619-L659 HydrophobicContact CG2-CD2 4.5Å
620A98.3Very high91.4Very high0 Ų034 Ų340%016%0.156CC..EExtended strand (participates in β ladder)trans-65.5121.6176.100000111.5I489 E622 E624 E655I489-A620 HydrophobicContact CD1-CB 4.13Å; I489-A620 HydrophobicContact CG2-CB 3.79Å; A620-E622 WeakPolarHBondContact CB-O 3.5Å; A620-E624 HydrophobicContact CB-CG 4.1Å; A620-E624 WeakPolarHBondContact CB-OE1 3.14Å; A620-E655 HydrophobicContact CB-CB 4.19Å; A620-E655 HydrophobicContact CB-CG 4.23Å; A620-E655 WeakPolarHBondContact CB-OE2 3.44Å; A620-E655 PolarHBondContact N-OE2 3.19Å
621T97.6Very high92.6Very high37 Ų3729.8 Ų29.823%0.22714%0.14CC..SBendtrans-81.2-18177.656.60000113.5P447 V448 N449 V619 M656P447-T621 HydrophobicContact CB-CG2 3.75Å; V448-T621 PolarHBondContact O-N 3.29Å; V448-T621 PolarHBondContact O-OG1 3.37Å; N449-T621 WeakPolarHBondContact CA-OG1 3.45Å; N449-T621 HydrophobicContact CB-CG2 4.11Å; N449-T621 WeakPolarHBondContact CB-OG1 3.36Å; V619-T621 PolarHBondContact O-N 3.06Å; T621-M656 HydrophobicContact CG2-SD 4.43Å
622E97.6Very high93.4Very high57 Ų5731.2 Ų31.227%0.26617%0.165SC..SBendtrans-111.3155.1168.7-55.5-71.1141.400109.3P450 K451 W485 I489 A620 E624P450-E622 HydrophobicContact CG-CG 4.24Å; K451-E622 VanDerWaalsContact CE-CD 3.47Å; K451-E622 VanDerWaalsContact CE-OE1 3.28Å; K451-E622 WeakPolarHBondContact CE-OE1 3.36Å; K451-E622 IonicContact NZ-OE1 2.74Å; K451-E622 PolarHBondContact NZ-OE1 3.46Å; K451-E622 IonicContact NZ-OE2 2.84Å; K451-E622 PolarHBondContact NZ-OE2 2.87Å; W485-E622 HydrophobicContact CB-CB 4.39Å; W485-E622 HydrophobicContact CB-CG 4.38Å; I489-E622 HydrophobicContact CD1-CB 3.76Å; I489-E622 HydrophobicContact CD1-CG 4.48Å; A620-E622 WeakPolarHBondContact CB-O 3.5Å; E622-E624 PolarHBondContact O-N 3.48Å
623K98Very high93.7Very high111 Ų11132.6 Ų32.648%0.48318%0.177SC..PPolyproline II helixtrans-63.9135.7175.9-63.4-177.1-178.6-179.20110.2W652 Y653 N654K623-W652 HydrophobicContact CB-CB 4.32Å; K623-W652 HydrophobicContact CB-CE3 3.81Å; K623-W652 HydrophobicContact CD-CB 4.18Å; K623-W652 WeakPolarHBondContact O-CZ3 3.48Å; K623-Y653 VanDerWaalsContact CA-O 3.31Å; K623-Y653 WeakPolarHBondContact CA-O 3.2Å; K623-N654 HydrophobicContact CD-CB 4.46Å; K623-N654 HydrophobicContact CG-CB 4.16Å
624E97.8Very high93.5Very high5 Ų542.1 Ų42.12%0.02321%0.213CC..EExtended strand (participates in β ladder)trans-96.8135.6172.9-70.4-176.1-151.800110.8S486 I489 K490 K493 A620 E622 V626 W652 Y653S486-E624 WeakPolarHBondContact OG-CA 3.28Å; I489-E624 HydrophobicContact CB-CG 4.26Å; I489-E624 HydrophobicContact CD1-CG 4.34Å; I489-E624 HydrophobicContact CG2-CG 3.98Å; I489-E624 WeakPolarHBondContact CG2-OE1 3.46Å; K490-E624 IonicContact NZ-OE2 3.39Å; K490-E624 PolarHBondContact NZ-OE2 3.1Å; K493-E624 WeakPolarHBondContact CE-OE1 3.34Å; K493-E624 IonicContact NZ-OE1 2.86Å; K493-E624 PolarHBondContact NZ-OE1 2.92Å; A620-E624 HydrophobicContact CB-CG 4.1Å; A620-E624 WeakPolarHBondContact CB-OE1 3.14Å; E622-E624 PolarHBondContact O-N 3.48Å; E624-V626 HydrophobicContact CB-CG1 3.96Å; E624-W652 CarbonylContact O-C 3.56Å; E624-W652 WeakPolarHBondContact O-CA 3.36Å; E624-Y653 PolarHBondContact N-O 2.83Å; E624-Y653 WeakPolarHBondContact O-CB 3.26Å; E624-Y653 PolarHBondContact O-N 2.88Å
625K97.9Very high93.2Very high12 Ų1243 Ų435%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-74.8126.4162.4-165.5176175.6-178.90107.7V469 D473 E483 S486 K490 T641 I651 W652V469-K625 WeakPolarHBondContact CG1-O 3.49Å; V469-K625 HydrophobicContact CG2-CG 4.22Å; D473-K625 VanDerWaalsContact CG-NZ 3.29Å; D473-K625 IonicContact OD1-NZ 3.33Å; D473-K625 PolarHBondContact OD1-NZ 3.24Å; D473-K625 IonicContact OD2-NZ 3.97Å; D473-K625 PolarHBondContact OD2-NZ 3.28Å; E483-K625 HydrophobicContact CG-CD 4.4Å; S486-K625 PolarHBondContact OG-N 3.48Å; S486-K625 PolarHBondContact OG-O 3Å; K490-K625 VanDerWaalsContact CE-O 3.23Å; K490-K625 WeakPolarHBondContact CE-O 3.24Å; K490-K625 PolarHBondContact NZ-O 3.06Å; K625-T641 WeakPolarHBondContact CE-O 3.46Å; K625-T641 PolarHBondContact NZ-O 3.07Å; K625-I651 WeakPolarHBondContact CA-O 3.45Å; K625-W652 HydrophobicContact CB-CE3 4.12Å; K625-W652 HydrophobicContact CB-CH2 3.99Å; K625-W652 HydrophobicContact CB-CZ2 4.45Å; K625-W652 HydrophobicContact CB-CZ3 3.84Å
626V97.1Very high92.7Very high5 Ų551.8 Ų51.83%0.0326%0.26CS..EExtended strand (participates in β ladder)trans-135.3154.7-176.6-61.20000110.5E624 T650 I651 Y653E624-V626 HydrophobicContact CB-CG1 3.96Å; V626-T650 CarbonylContact O-C 3.28Å; V626-T650 WeakPolarHBondContact O-CA 3.29Å; V626-T650 VanDerWaalsContact O-CB 3.28Å; V626-T650 WeakPolarHBondContact O-CB 3.23Å; V626-I651 HydrophobicContact CG2-CD1 4.27Å; V626-I651 HydrophobicContact CG2-CG1 3.57Å; V626-I651 PolarHBondContact N-O 3.39Å; V626-I651 PolarHBondContact O-N 3.45Å; V626-Y653 HydrophobicContact CG1-CG 4.39Å; V626-Y653 HydrophobicContact CG2-CD2 4.41Å; V626-Y653 HydrophobicContact CG2-CG 4.26Å
627W95.2Very high92.3Very high17 Ų1754.6 Ų54.66%0.06429%0.29CS..EExtended strand (participates in β ladder)trans-62.9136.7169.1-67.2109.8000111.7D467 V469 R514 H629 N640 T641 C649 T650D467-W627 PolarHBondContact O-NE1 2.76Å; D467-W627 VanDerWaalsContact OD2-CD1 3.28Å; V469-W627 HydrophobicContact CB-CD2 4.44Å; V469-W627 HydrophobicContact CB-CZ2 4.26Å; V469-W627 HydrophobicContact CG2-CD2 4.07Å; V469-W627 HydrophobicContact CG2-CG 4.36Å; V469-W627 HydrophobicContact CG2-CZ2 4.3Å; R514-W627 PolarHBondContact NH1-O 2.9Å; W627-H629 AromaticContact CD2-CE1 3.75Å; W627-H629 AromaticContact CE3-CE1 3.4Å; W627-N640 WeakPolarHBondContact CZ3-O 3.35Å; W627-T641 HydrophobicContact CH2-CG2 3.57Å; W627-T641 HydrophobicContact CZ2-CG2 4.02Å; W627-T641 HydrophobicContact CZ3-CG2 4.45Å; W627-C649 HydrophobicContact CE3-CB 4.19Å; W627-C649 HydrophobicContact CZ3-CB 4.17Å; W627-T650 HydrophobicContact CD2-CG2 4.38Å; W627-T650 HydrophobicContact CE3-CG2 3.77Å; W627-T650 HydrophobicContact CZ3-CG2 3.94Å
628Y92.6Very high91.9Very high99 Ų9955.8 Ų55.839%0.38830%0.297SS..  trans-147.585.7173.3-170.6-92000108.7V630 K644 C649 I651Y628-V630 HydrophobicContact CD1-CG1 3.85Å; Y628-V630 HydrophobicContact CE1-CG1 3.76Å; Y628-V630 PolarHBondContact O-N 2.54Å; Y628-V630 VanDerWaalsContact O-N 3.12Å; Y628-K644 HydrophobicContact CD1-CD 3.94Å; Y628-K644 HydrophobicContact CE1-CD 3.93Å; Y628-C649 CarbonylContact C-O 3.53Å; Y628-C649 PolarHBondContact N-O 3.22Å; Y628-C649 CarbonylContact O-C 3.44Å; Y628-I651 HydrophobicContact CD1-CG2 4.08Å; Y628-I651 HydrophobicContact CD2-CD1 3.67Å; Y628-I651 HydrophobicContact CD2-CG1 4.44Å; Y628-I651 HydrophobicContact CE2-CD1 4.34Å; Y628-I651 HydrophobicContact CG-CD1 3.93Å; Y628-I651 HydrophobicContact CG-CG1 4.28Å; Y628-I651 HydrophobicContact CG-CG2 3.94Å
629H89.4Confident91.7Very high52 Ų5264.1 Ų64.124%0.24133%0.33CS..  trans-77102.7-168.6-62.8-59000112.8W627 G635W627-H629 AromaticContact CD2-CE1 3.75Å; W627-H629 AromaticContact CE3-CE1 3.4Å; H629-G635 WeakPolarHBondContact CD2-CA 3.18Å; H629-G635 WeakPolarHBondContact ND1-CA 3.42Å
630V84.3Confident91.5Very high72 Ų7266.3 Ų66.344%0.43634%0.342SS..  trans-94-6.9168.3-62.70000113.2Y628 K644Y628-V630 HydrophobicContact CD1-CG1 3.85Å; Y628-V630 HydrophobicContact CE1-CG1 3.76Å; Y628-V630 PolarHBondContact O-N 2.54Å; Y628-V630 VanDerWaalsContact O-N 3.12Å; V630-K644 HydrophobicContact CG1-CD 3.86Å; V630-K644 HydrophobicContact CG1-CG 4.2Å; V630-K644 HydrophobicContact CG2-CG 4.25Å
631C87.2Confident91.4Very high31 Ų3166.8 Ų66.821%0.20935%0.345CS..SBendtrans-64.9152.1177.860.20000112.1S633 R634 G635C631-S633 PolarHBondContact O-N 3.16Å; C631-S633 VanDerWaalsContact O-N 3.16Å; C631-S633 PolarHBondContact SG-OG 3.1Å; C631-R634 PolarHBondContact O-N 3.1Å; C631-G635 PolarHBondContact SG-N 3.39Å; C631-G635 VanDerWaalsContact SG-N 3.38Å
632S85.1Confident91.3Very high129 Ų12971.6 Ų71.690%0.90236%0.359SS*.THydrogen-bonded Turntrans-57-31.2178.953.50000113.8R634S632-R634 PolarHBondContact O-N 3.18Å
633S84.7Confident91.3Very high57 Ų5770.3 Ų70.340%0.39935%0.354SS..THydrogen-bonded Turntrans-76.9-2.117667.10000114.4C631 G635 K636C631-S633 PolarHBondContact O-N 3.16Å; C631-S633 VanDerWaalsContact O-N 3.16Å; C631-S633 PolarHBondContact SG-OG 3.1Å; S633-G635 PolarHBondContact O-N 3.06Å; S633-G635 VanDerWaalsContact O-N 3.16Å; S633-K636 WeakPolarHBondContact O-CB 3.06Å; S633-K636 PolarHBondContact O-N 3.44Å; S633-K636 PolarHBondContact OG-O 3.33Å
634R81.9Confident91.1Very high201 Ų20170 Ų7076%0.75835%0.352SS*.THydrogen-bonded Turntrans49.340.1-178.5-61.6-67.2-166.9162.74.1113.3C631 S632C631-R634 PolarHBondContact O-N 3.1Å; S632-R634 PolarHBondContact O-N 3.18Å
635G85.3Confident90.9Very high18 Ų1877.3 Ų77.319%0.18639%0.387CS..THydrogen-bonded Turntrans93.9-15.1177.100000115.4H629 C631 S633 G637 C638H629-G635 WeakPolarHBondContact CD2-CA 3.18Å; H629-G635 WeakPolarHBondContact ND1-CA 3.42Å; C631-G635 PolarHBondContact SG-N 3.39Å; C631-G635 VanDerWaalsContact SG-N 3.38Å; S633-G635 PolarHBondContact O-N 3.06Å; S633-G635 VanDerWaalsContact O-N 3.16Å; G635-G637 PolarHBondContact O-N 3.12Å; G635-C638 WeakPolarHBondContact O-CB 3.49Å; G635-C638 PolarHBondContact O-N 3.36Å
636K84.6Confident90.8Very high184 Ų18481.3 Ų81.380%0.841%0.408SS*.THydrogen-bonded Turntrans-62.4114.2179.4-168.2177.1-177.8179.80110.5S633 C638S633-K636 WeakPolarHBondContact O-CB 3.06Å; S633-K636 PolarHBondContact O-N 3.44Å; S633-K636 PolarHBondContact OG-O 3.33Å; K636-C638 PolarHBondContact O-N 2.7Å
637G87.6Confident90.6Very high60 Ų6083.5 Ų83.562%0.61943%0.432SS*.THydrogen-bonded Turntrans65.121.5-177.900000114.5G635 Y639G635-G637 PolarHBondContact O-N 3.12Å; G637-Y639 VanDerWaalsContact O-CD2 3.29Å; G637-Y639 WeakPolarHBondContact O-CD2 3.43Å; G637-Y639 WeakPolarHBondContact O-CE2 3.43Å
638C91.6Very high90.6Very high24 Ų2482.8 Ų82.816%0.16243%0.43CS..  trans-83.2129.2-179-173.70000111.4G635 K636 C649G635-C638 WeakPolarHBondContact O-CB 3.49Å; G635-C638 PolarHBondContact O-N 3.36Å; K636-C638 PolarHBondContact O-N 2.7Å; C638-C649 VanDerWaalsContact SG-SG 3.63Å
639Y93.3Very high90.7Very high175 Ų17578.2 Ų78.269%0.68641%0.412SS*.  trans-125.522.2174.9-58.1-84.5000112.2K472 G637 T641K472-Y639 PolarHBondContact NZ-O 3.37Å; G637-Y639 VanDerWaalsContact O-CD2 3.29Å; G637-Y639 WeakPolarHBondContact O-CD2 3.43Å; G637-Y639 WeakPolarHBondContact O-CE2 3.43Å; Y639-T641 PolarHBondContact O-N 3.27Å
640N94.5Very high91.1Very high47 Ų4775.7 Ų75.725%0.25140%0.401SS..  trans-87.981.7-178.7-1737.2000110.4W627 R642 G647 G648 C649W627-N640 WeakPolarHBondContact CZ3-O 3.35Å; N640-R642 PolarHBondContact O-N 3.26Å; N640-R642 PolarHBondContact OD1-NE 3.35Å; N640-G647 PolarHBondContact ND2-O 3.17Å; N640-G648 WeakPolarHBondContact ND2-CA 3.28Å; N640-C649 WeakPolarHBondContact O-CB 3.44Å; N640-C649 PolarHBondContact O-N 3.28Å; N640-C649 VanDerWaalsContact O-N 3.16Å
641T95.7Very high91.7Very high10 Ų1074.3 Ų74.36%0.06139%0.39CS..  trans-73.2-1.8-175.459.10000114.6V469 K625 W627 Y639 T650V469-T641 WeakPolarHBondContact O-CB 3.12Å; V469-T641 WeakPolarHBondContact O-CG2 3.3Å; K625-T641 WeakPolarHBondContact CE-O 3.46Å; K625-T641 PolarHBondContact NZ-O 3.07Å; W627-T641 HydrophobicContact CH2-CG2 3.57Å; W627-T641 HydrophobicContact CZ2-CG2 4.02Å; W627-T641 HydrophobicContact CZ3-CG2 4.45Å; Y639-T641 PolarHBondContact O-N 3.27Å; T641-T650 VanDerWaalsContact O-CG2 3.28Å; T641-T650 WeakPolarHBondContact O-CG2 3.5Å; T641-T650 PolarHBondContact O-OG1 3.48Å
642R96.1Very high92.2Very high138 Ų13876.3 Ų76.352%0.52139%0.394SS..SBendtrans-65.2159.4175.9-64.8-174.1-65.2156.71.9111.2N640 D646 G648 C649 T650N640-R642 PolarHBondContact O-N 3.26Å; N640-R642 PolarHBondContact OD1-NE 3.35Å; R642-D646 HydrophobicContact CB-CB 4.5Å; R642-D646 PolarHBondContact NH1-O 2.93Å; R642-D646 VanDerWaalsContact NH1-O 3.13Å; R642-G648 CarbonylContact O-C 3.49Å; R642-G648 WeakPolarHBondContact O-CA 3.31Å; R642-C649 PolarHBondContact O-N 3.29Å; R642-T650 PolarHBondContact O-N 3.5Å; R642-T650 PolarHBondContact O-OG1 2.99Å
643L96.7Very high92.8Very high29 Ų2970.7 Ų70.715%0.15235%0.353CS..BIsolated β-bridgetrans-69.3150.2176.5-62.7169.9000111E645 D646 G647 G648 T650 W652L643-E645 HydrophobicContact CB-CG 3.94Å; L643-E645 WeakPolarHBondContact CD1-OE1 3.2Å; L643-E645 PolarHBondContact O-N 3.47Å; L643-D646 CarbonylContact O-C 3.57Å; L643-D646 WeakPolarHBondContact O-CA 3.39Å; L643-D646 WeakPolarHBondContact O-CB 3.36Å; L643-D646 PolarHBondContact O-N 2.84Å; L643-G647 PolarHBondContact O-N 2.8Å; L643-G648 WeakPolarHBondContact O-CA 3.49Å; L643-G648 PolarHBondContact O-N 3.18Å; L643-T650 CarbonylContact C-O 3.52Å; L643-T650 WeakPolarHBondContact CA-O 3.27Å; L643-T650 WeakPolarHBondContact CA-OG1 3.34Å; L643-T650 PolarHBondContact N-OG1 3.48Å; L643-W652 HydrophobicContact CD2-CG 4.48Å
644K95Very high93.4Very high104 Ų10470 Ų7045%0.45234%0.344SS..G310 helixtrans-54-40.2178.7176.4-176.3169-174.80112.2Y628 V630 D646 G647 T650 I651Y628-K644 HydrophobicContact CD1-CD 3.94Å; Y628-K644 HydrophobicContact CE1-CD 3.93Å; V630-K644 HydrophobicContact CG1-CD 3.86Å; V630-K644 HydrophobicContact CG1-CG 4.2Å; V630-K644 HydrophobicContact CG2-CG 4.25Å; K644-D646 PolarHBondContact O-N 3.03Å; K644-G647 PolarHBondContact O-N 2.81Å; K644-G647 VanDerWaalsContact O-N 3.13Å; K644-T650 PolarHBondContact N-O 2.97Å; K644-I651 HydrophobicContact CB-CG2 4.13Å
645E94.2Very high94.2Very high160 Ų16060.4 Ų60.475%0.74831%0.308SS*.G310 helixtrans-62.6-26.217660.6-165.1165.900113.1L643L643-E645 HydrophobicContact CB-CG 3.94Å; L643-E645 WeakPolarHBondContact CD1-OE1 3.2Å; L643-E645 PolarHBondContact O-N 3.47Å
646D95.3Very high94.8Very high95 Ų9563 Ų6351%0.50832%0.316SS..G310 helixtrans-96.120.1175.9-56.7-48.7000113.2R642 L643 K644 G648R642-D646 HydrophobicContact CB-CB 4.5Å; R642-D646 PolarHBondContact NH1-O 2.93Å; R642-D646 VanDerWaalsContact NH1-O 3.13Å; L643-D646 CarbonylContact O-C 3.57Å; L643-D646 WeakPolarHBondContact O-CA 3.39Å; L643-D646 WeakPolarHBondContact O-CB 3.36Å; L643-D646 PolarHBondContact O-N 2.84Å; K644-D646 PolarHBondContact O-N 3.03Å; D646-G648 VanDerWaalsContact C-N 3.28Å; D646-G648 PolarHBondContact O-N 3.45Å
647G92.7Very high95.4Very high52 Ų5259 Ų5954%0.53630%0.301SS..THydrogen-bonded Turntrans70.825.4-176.100000113.5N640 L643 K644N640-G647 PolarHBondContact ND2-O 3.17Å; L643-G647 PolarHBondContact O-N 2.8Å; K644-G647 PolarHBondContact O-N 2.81Å; K644-G647 VanDerWaalsContact O-N 3.13Å
648G94.4Very high95.9Very high1 Ų157.1 Ų57.11%0.0128%0.276CS..SBendtrans-97.9-168.8178.900000114.8N640 R642 L643 D646N640-G648 WeakPolarHBondContact ND2-CA 3.28Å; R642-G648 CarbonylContact O-C 3.49Å; R642-G648 WeakPolarHBondContact O-CA 3.31Å; L643-G648 WeakPolarHBondContact O-CA 3.49Å; L643-G648 PolarHBondContact O-N 3.18Å; D646-G648 VanDerWaalsContact C-N 3.28Å; D646-G648 PolarHBondContact O-N 3.45Å
649C96.1Very high96.2Very high3 Ų356.2 Ų56.22%0.0227%0.27CS..SBendtrans-125.925.3-179.5-76.20000112.5W627 Y628 C638 N640 R642W627-C649 HydrophobicContact CE3-CB 4.19Å; W627-C649 HydrophobicContact CZ3-CB 4.17Å; Y628-C649 CarbonylContact C-O 3.53Å; Y628-C649 PolarHBondContact N-O 3.22Å; Y628-C649 CarbonylContact O-C 3.44Å; C638-C649 VanDerWaalsContact SG-SG 3.63Å; N640-C649 WeakPolarHBondContact O-CB 3.44Å; N640-C649 PolarHBondContact O-N 3.28Å; N640-C649 VanDerWaalsContact O-N 3.16Å; R642-C649 PolarHBondContact O-N 3.29Å
650T97Very high96.3Very high0 Ų051.1 Ų51.10%026%0.26CS..EExtended strand (participates in β ladder)trans-126.7159.5177.368.10000111.8V469 V626 W627 T641 R642 L643 K644V469-T650 HydrophobicContact CG2-CG2 3.39Å; V626-T650 CarbonylContact O-C 3.28Å; V626-T650 WeakPolarHBondContact O-CA 3.29Å; V626-T650 VanDerWaalsContact O-CB 3.28Å; V626-T650 WeakPolarHBondContact O-CB 3.23Å; W627-T650 HydrophobicContact CD2-CG2 4.38Å; W627-T650 HydrophobicContact CE3-CG2 3.77Å; W627-T650 HydrophobicContact CZ3-CG2 3.94Å; T641-T650 VanDerWaalsContact O-CG2 3.28Å; T641-T650 WeakPolarHBondContact O-CG2 3.5Å; T641-T650 PolarHBondContact O-OG1 3.48Å; R642-T650 PolarHBondContact O-N 3.5Å; R642-T650 PolarHBondContact O-OG1 2.99Å; L643-T650 CarbonylContact C-O 3.52Å; L643-T650 WeakPolarHBondContact CA-O 3.27Å; L643-T650 WeakPolarHBondContact CA-OG1 3.34Å; L643-T650 PolarHBondContact N-OG1 3.48Å; K644-T650 PolarHBondContact N-O 2.97Å
651I97Very high96.2Very high42 Ų4251.9 Ų51.922%0.21526%0.262CS..EExtended strand (participates in β ladder)trans-137.3164.6170.862.5176.3000109.5K625 V626 Y628 K644K625-I651 WeakPolarHBondContact CA-O 3.45Å; V626-I651 HydrophobicContact CG2-CD1 4.27Å; V626-I651 HydrophobicContact CG2-CG1 3.57Å; V626-I651 PolarHBondContact N-O 3.39Å; V626-I651 PolarHBondContact O-N 3.45Å; Y628-I651 HydrophobicContact CD1-CG2 4.08Å; Y628-I651 HydrophobicContact CD2-CD1 3.67Å; Y628-I651 HydrophobicContact CD2-CG1 4.44Å; Y628-I651 HydrophobicContact CE2-CD1 4.34Å; Y628-I651 HydrophobicContact CG-CD1 3.93Å; Y628-I651 HydrophobicContact CG-CG1 4.28Å; Y628-I651 HydrophobicContact CG-CG2 3.94Å; K644-I651 HydrophobicContact CB-CG2 4.13Å
652W97.8Very high96.1Very high74 Ų7451.5 Ų51.528%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-86.9114.6164.3-71106.6000110.1P482 E483 K623 E624 K625 L643P482-W652 HydrophobicContact CB-CH2 3.41Å; P482-W652 VanDerWaalsContact CB-CH2 3.41Å; P482-W652 HydrophobicContact CB-CZ2 3.89Å; P482-W652 HydrophobicContact CB-CZ3 4.04Å; E483-W652 HydrophobicContact CG-CH2 4.32Å; K623-W652 HydrophobicContact CB-CB 4.32Å; K623-W652 HydrophobicContact CB-CE3 3.81Å; K623-W652 HydrophobicContact CD-CB 4.18Å; K623-W652 WeakPolarHBondContact O-CZ3 3.48Å; E624-W652 CarbonylContact O-C 3.56Å; E624-W652 WeakPolarHBondContact O-CA 3.36Å; K625-W652 HydrophobicContact CB-CE3 4.12Å; K625-W652 HydrophobicContact CB-CH2 3.99Å; K625-W652 HydrophobicContact CB-CZ2 4.45Å; K625-W652 HydrophobicContact CB-CZ3 3.84Å; L643-W652 HydrophobicContact CD2-CG 4.48Å
653Y97.8Very high96Very high11 Ų1146.6 Ų46.64%0.04324%0.242CC..EExtended strand (participates in β ladder)trans-89.9122.3178-158.5-118.6000110.3T591 L592 P593 D594 K623 E624 V626 E655 L658T591-Y653 HydrophobicContact CG2-CD1 4.35Å; T591-Y653 HydrophobicContact CG2-CE1 3.8Å; L592-Y653 PolarHBondContact O-OH 3.22Å; P593-Y653 VanDerWaalsContact C-OH 3.24Å; P593-Y653 PolarHBondContact O-OH 3.28Å; D594-Y653 WeakPolarHBondContact CA-OH 3.44Å; D594-Y653 PolarHBondContact N-OH 2.83Å; D594-Y653 WeakPolarHBondContact OD1-CE2 3.46Å; D594-Y653 PolarHBondContact OD1-OH 3.16Å; K623-Y653 VanDerWaalsContact CA-O 3.31Å; K623-Y653 WeakPolarHBondContact CA-O 3.2Å; E624-Y653 PolarHBondContact N-O 2.83Å; E624-Y653 WeakPolarHBondContact O-CB 3.26Å; E624-Y653 PolarHBondContact O-N 2.88Å; V626-Y653 HydrophobicContact CG1-CG 4.39Å; V626-Y653 HydrophobicContact CG2-CD2 4.41Å; V626-Y653 HydrophobicContact CG2-CG 4.26Å; Y653-E655 HydrophobicContact CD1-CG 3.56Å; Y653-E655 HydrophobicContact CE1-CG 3.6Å; Y653-L658 HydrophobicContact CD1-CD1 4.33Å; Y653-L658 HydrophobicContact CD2-CD1 4.34Å; Y653-L658 HydrophobicContact CE1-CD1 3.58Å; Y653-L658 HydrophobicContact CE2-CD1 3.57Å; Y653-L658 WeakPolarHBondContact OH-CD1 3.41Å
654N97.9Very high95.6Very high41 Ų4152.2 Ų52.222%0.21927%0.268CS..  trans-110.586.9-174.4-173.54.1000110.4K623 M656 Q657 L658K623-N654 HydrophobicContact CD-CB 4.46Å; K623-N654 HydrophobicContact CG-CB 4.16Å; N654-M656 VanDerWaalsContact C-N 3.29Å; N654-M656 PolarHBondContact O-N 3.26Å; N654-Q657 HydrophobicContact CB-CB 4.11Å; N654-Q657 WeakPolarHBondContact ND2-CB 3.47Å; N654-Q657 PolarHBondContact ND2-OE1 3.49Å; N654-Q657 PolarHBondContact O-N 3.22Å; N654-Q657 PolarHBondContact OD1-N 3.06Å; N654-L658 PolarHBondContact O-N 2.47Å; N654-L658 VanDerWaalsContact O-N 3.13Å
655E98.3Very high95.1Very high1 Ų149.3 Ų49.31%0.00526%0.256CS..Hα-helixtrans-68.5-26.9-177.3-66.6-167.3166.800113.5K493 T591 L592 V619 A620 Y653 Q657 L658 L659K493-E655 IonicContact NZ-OE1 2.64Å; K493-E655 PolarHBondContact NZ-OE1 2.9Å; K493-E655 IonicContact NZ-OE2 2.81Å; K493-E655 PolarHBondContact NZ-OE2 3.28Å; T591-E655 WeakPolarHBondContact CG2-OE1 3.4Å; L592-E655 HydrophobicContact CB-CG 4.42Å; L592-E655 HydrophobicContact CD1-CB 4.18Å; L592-E655 WeakPolarHBondContact CD1-O 3.46Å; L592-E655 PolarHBondContact N-OE1 3.33Å; V619-E655 WeakPolarHBondContact CA-OE2 3.33Å; V619-E655 HydrophobicContact CG1-CB 3.95Å; A620-E655 HydrophobicContact CB-CB 4.19Å; A620-E655 HydrophobicContact CB-CG 4.23Å; A620-E655 WeakPolarHBondContact CB-OE2 3.44Å; A620-E655 PolarHBondContact N-OE2 3.19Å; Y653-E655 HydrophobicContact CD1-CG 3.56Å; Y653-E655 HydrophobicContact CE1-CG 3.6Å; E655-Q657 VanDerWaalsContact C-N 3.31Å; E655-Q657 PolarHBondContact O-N 2.97Å; E655-L658 PolarHBondContact O-N 2.64Å; E655-L659 WeakPolarHBondContact O-CB 2.91Å; E655-L659 PolarHBondContact O-N 3.5Å
656M97.6Very high94.7Very high71 Ų7142.9 Ų42.935%0.3523%0.226SC..Hα-helixtrans-63-39.4172.8-68.5-55.9-5600111.9V619 T621 N654 S660V619-M656 HydrophobicContact CG1-SD 3.85Å; T621-M656 HydrophobicContact CG2-SD 4.43Å; N654-M656 VanDerWaalsContact C-N 3.29Å; N654-M656 PolarHBondContact O-N 3.26Å; M656-S660 PolarHBondContact O-N 3.49Å; M656-S660 VanDerWaalsContact O-N 3.11Å; M656-S660 PolarHBondContact O-OG 3.46Å
657Q97.7Very high94.1Very high102 Ų10245.6 Ų45.648%0.47724%0.241SC..Hα-helixtrans-68.3-44.3174.6175.9-176.3-10.100111.4N654 E655 L659 S660 E661N654-Q657 HydrophobicContact CB-CB 4.11Å; N654-Q657 WeakPolarHBondContact ND2-CB 3.47Å; N654-Q657 PolarHBondContact ND2-OE1 3.49Å; N654-Q657 PolarHBondContact O-N 3.22Å; N654-Q657 PolarHBondContact OD1-N 3.06Å; E655-Q657 VanDerWaalsContact C-N 3.31Å; E655-Q657 PolarHBondContact O-N 2.97Å; Q657-L659 VanDerWaalsContact C-N 3.26Å; Q657-L659 PolarHBondContact O-N 2.84Å; Q657-S660 WeakPolarHBondContact O-CB 3.32Å; Q657-S660 PolarHBondContact O-N 3.1Å; Q657-S660 VanDerWaalsContact O-N 3.12Å; Q657-E661 WeakPolarHBondContact CG-OE1 3.34Å; Q657-E661 PolarHBondContact NE2-OE1 3.05Å; Q657-E661 WeakPolarHBondContact O-CG 3.33Å; Q657-E661 PolarHBondContact O-N 3.29Å
658L97.4Very high93.6Very high20 Ų2045.5 Ų45.511%0.10523%0.232CC..Hα-helixtrans-61.3-38177.3-66.8169.7000111.6L592 Y653 N654 E655 E661 I662L592-L658 HydrophobicContact CD1-CB 4.22Å; Y653-L658 HydrophobicContact CD1-CD1 4.33Å; Y653-L658 HydrophobicContact CD2-CD1 4.34Å; Y653-L658 HydrophobicContact CE1-CD1 3.58Å; Y653-L658 HydrophobicContact CE2-CD1 3.57Å; Y653-L658 WeakPolarHBondContact OH-CD1 3.41Å; N654-L658 PolarHBondContact O-N 2.47Å; N654-L658 VanDerWaalsContact O-N 3.13Å; E655-L658 PolarHBondContact O-N 2.64Å; L658-E661 PolarHBondContact O-N 3.47Å; L658-I662 WeakPolarHBondContact O-CD1 3.33Å; L658-I662 VanDerWaalsContact O-CG1 3.23Å; L658-I662 WeakPolarHBondContact O-CG1 3.38Å; L658-I662 PolarHBondContact O-N 3.13Å
659L97.3Very high93.3Very high4 Ų451.1 Ų51.12%0.02127%0.266CS..Hα-helixtrans-60.2-47.9172.7177.760.3000110.9V445 L592 V619 E655 Q657 E661 I662 E663 I670V445-L659 HydrophobicContact CG1-CD2 4.11Å; V445-L659 HydrophobicContact CG2-CD1 3.73Å; V445-L659 HydrophobicContact CG2-CD2 4.25Å; L592-L659 HydrophobicContact CD1-CB 4Å; V619-L659 HydrophobicContact CG1-CB 4.44Å; V619-L659 HydrophobicContact CG1-CD2 4.19Å; V619-L659 HydrophobicContact CG2-CD2 4.5Å; E655-L659 WeakPolarHBondContact O-CB 2.91Å; E655-L659 PolarHBondContact O-N 3.5Å; Q657-L659 VanDerWaalsContact C-N 3.26Å; Q657-L659 PolarHBondContact O-N 2.84Å; L659-E661 VanDerWaalsContact C-N 3.32Å; L659-E661 PolarHBondContact O-N 3.18Å; L659-I662 WeakPolarHBondContact O-CB 3.41Å; L659-I662 PolarHBondContact O-N 3.11Å; L659-I662 VanDerWaalsContact O-N 3.13Å; L659-E663 HydrophobicContact CD1-CG 4.09Å; L659-E663 HydrophobicContact CG-CG 4.38Å; L659-E663 WeakPolarHBondContact O-CG 3.43Å; L659-E663 PolarHBondContact O-N 3.34Å; L659-I670 HydrophobicContact CD1-CD1 3.89Å
660S95Very high93.1Very high69 Ų6951 Ų5148%0.48327%0.265SS..Hα-helixtrans-60.1-40.1176.5-59.30000112.7M656 Q657 I662 E663 E664M656-S660 PolarHBondContact O-N 3.49Å; M656-S660 VanDerWaalsContact O-N 3.11Å; M656-S660 PolarHBondContact O-OG 3.46Å; Q657-S660 WeakPolarHBondContact O-CB 3.32Å; Q657-S660 PolarHBondContact O-N 3.1Å; Q657-S660 VanDerWaalsContact O-N 3.12Å; S660-I662 VanDerWaalsContact C-N 3.32Å; S660-I662 PolarHBondContact O-N 3.46Å; S660-E663 PolarHBondContact O-N 3.16Å; S660-E664 WeakPolarHBondContact O-CB 3.48Å; S660-E664 PolarHBondContact O-N 2.92Å
661E94.2Very high92.8Very high63 Ų6354.6 Ų54.629%0.29429%0.29SS..Hα-helixtrans-66.1-34.4176.1-69.9172.9-163.100112.2Q657 L658 L659 H665Q657-E661 WeakPolarHBondContact CG-OE1 3.34Å; Q657-E661 PolarHBondContact NE2-OE1 3.05Å; Q657-E661 WeakPolarHBondContact O-CG 3.33Å; Q657-E661 PolarHBondContact O-N 3.29Å; L658-E661 PolarHBondContact O-N 3.47Å; L659-E661 VanDerWaalsContact C-N 3.32Å; L659-E661 PolarHBondContact O-N 3.18Å; E661-H665 VanDerWaalsContact O-CB 3.22Å; E661-H665 WeakPolarHBondContact O-CB 3.44Å; E661-H665 PolarHBondContact O-N 3.28Å; E661-H665 VanDerWaalsContact O-N 3.1Å
662I93Very high92.6Very high2 Ų258.4 Ų58.41%0.0131%0.307CS..Hα-helixtrans-69-47.5173.3-70.8161.1000110.6L592 K596 Y599 L658 L659 S660 E664 H665 L666 I670L592-I662 HydrophobicContact CD1-CD1 4.33Å; L592-I662 HydrophobicContact CD2-CD1 4.26Å; K596-I662 HydrophobicContact CB-CG1 3.86Å; Y599-I662 HydrophobicContact CD1-CG2 3.41Å; Y599-I662 VanDerWaalsContact CD1-CG2 3.41Å; Y599-I662 HydrophobicContact CD2-CD1 3.85Å; Y599-I662 HydrophobicContact CD2-CG2 4.35Å; Y599-I662 HydrophobicContact CE1-CG2 3.72Å; Y599-I662 HydrophobicContact CG-CD1 3.88Å; Y599-I662 HydrophobicContact CG-CG1 4.24Å; Y599-I662 HydrophobicContact CG-CG2 3.75Å; L658-I662 WeakPolarHBondContact O-CD1 3.33Å; L658-I662 VanDerWaalsContact O-CG1 3.23Å; L658-I662 WeakPolarHBondContact O-CG1 3.38Å; L658-I662 PolarHBondContact O-N 3.13Å; L659-I662 WeakPolarHBondContact O-CB 3.41Å; L659-I662 PolarHBondContact O-N 3.11Å; L659-I662 VanDerWaalsContact O-N 3.13Å; S660-I662 VanDerWaalsContact C-N 3.32Å; S660-I662 PolarHBondContact O-N 3.46Å; I662-E664 PolarHBondContact O-N 3.3Å; I662-H665 WeakPolarHBondContact O-CB 3.43Å; I662-H665 PolarHBondContact O-N 3.39Å; I662-H665 VanDerWaalsContact O-N 3.14Å; I662-L666 HydrophobicContact CG2-CD1 3.87Å; I662-L666 HydrophobicContact CG2-CG 4.36Å; I662-L666 WeakPolarHBondContact O-CG 3.38Å; I662-L666 PolarHBondContact O-N 3.46Å; I662-I670 HydrophobicContact CG2-CD1 3.94Å
663E93.5Very high92.4Very high34 Ų3455.3 Ų55.316%0.15930%0.296CS..Hα-helixtrans-63-40.6179.4-73.2-176.9144.500112.1L659 S660 H665 L666 N667 C668 T669 I670L659-E663 HydrophobicContact CD1-CG 4.09Å; L659-E663 HydrophobicContact CG-CG 4.38Å; L659-E663 WeakPolarHBondContact O-CG 3.43Å; L659-E663 PolarHBondContact O-N 3.34Å; S660-E663 PolarHBondContact O-N 3.16Å; E663-H665 VanDerWaalsContact C-N 3.34Å; E663-L666 PolarHBondContact O-N 3.1Å; E663-N667 WeakPolarHBondContact O-CA 3.39Å; E663-N667 PolarHBondContact O-N 3.2Å; E663-C668 CarbonylContact C-O 3.38Å; E663-C668 VanDerWaalsContact CA-O 3.23Å; E663-C668 WeakPolarHBondContact CA-O 3.32Å; E663-C668 WeakPolarHBondContact CB-O 3.38Å; E663-C668 WeakPolarHBondContact CG-O 2.92Å; E663-C668 PolarHBondContact O-N 3.09Å; E663-C668 VanDerWaalsContact O-N 3.09Å; E663-T669 WeakPolarHBondContact OE1-CA 3.19Å; E663-T669 WeakPolarHBondContact OE1-CG2 3.41Å; E663-I670 HydrophobicContact CG-CD1 4.15Å; E663-I670 HydrophobicContact CG-CG1 4.16Å; E663-I670 PolarHBondContact OE1-N 3.17Å
664E88.8Confident92.1Very high148 Ų14861.3 Ų61.369%0.69232%0.324SS*.Hα-helixtrans-61.4-43.3171.6-177.2-175.5-167.200111.2S660 I662 L666 N667S660-E664 WeakPolarHBondContact O-CB 3.48Å; S660-E664 PolarHBondContact O-N 2.92Å; I662-E664 PolarHBondContact O-N 3.3Å; E664-L666 PolarHBondContact O-N 3.09Å; E664-N667 PolarHBondContact O-N 3.18Å
665H84.6Confident91.7Very high43 Ų4361 Ų6120%0.19933%0.325CS..Hα-helixtrans-66.2-35.9179.8178.146.7000113.6D435 K596 E661 I662 E663 N667D435-H665 VanDerWaalsContact CB-CE1 3.43Å; D435-H665 WeakPolarHBondContact CB-CE1 3.38Å; D435-H665 VanDerWaalsContact CB-NE2 3.34Å; D435-H665 WeakPolarHBondContact CB-NE2 3.35Å; D435-H665 IonicContact OD2-CE1 3.06Å; D435-H665 PolarHBondContact OD2-CE1 2.99Å; D435-H665 IonicContact OD2-NE2 2.68Å; D435-H665 PolarHBondContact OD2-NE2 3.01Å; D435-H665 VanDerWaalsContact OD2-NE2 3.1Å; K596-H665 HydrophobicContact CB-CB 4.39Å; K596-H665 HydrophobicContact CD-CB 3.75Å; K596-H665 HydrophobicContact CG-CB 4.14Å; E661-H665 VanDerWaalsContact O-CB 3.22Å; E661-H665 WeakPolarHBondContact O-CB 3.44Å; E661-H665 PolarHBondContact O-N 3.28Å; E661-H665 VanDerWaalsContact O-N 3.1Å; I662-H665 WeakPolarHBondContact O-CB 3.43Å; I662-H665 PolarHBondContact O-N 3.39Å; I662-H665 VanDerWaalsContact O-N 3.14Å; E663-H665 VanDerWaalsContact C-N 3.34Å; H665-N667 VanDerWaalsContact C-N 3.33Å
666L85.2Confident91.4Very high24 Ų2464 Ų6413%0.12634%0.341CS..Hα-helixtrans-86.4-7.2177-64.1-179.5000113.1V437 Y599 V600 I662 E663 E664 C668 I670V437-L666 HydrophobicContact CG2-CD1 3.73Å; V437-L666 HydrophobicContact CG2-CD2 3.82Å; V437-L666 HydrophobicContact CG2-CG 4.37Å; Y599-L666 HydrophobicContact CD1-CD1 4.08Å; Y599-L666 HydrophobicContact CE1-CD1 3.88Å; V600-L666 HydrophobicContact CG2-CD2 3.75Å; I662-L666 HydrophobicContact CG2-CD1 3.87Å; I662-L666 HydrophobicContact CG2-CG 4.36Å; I662-L666 WeakPolarHBondContact O-CG 3.38Å; I662-L666 PolarHBondContact O-N 3.46Å; E663-L666 PolarHBondContact O-N 3.1Å; E664-L666 PolarHBondContact O-N 3.09Å; L666-C668 PolarHBondContact O-N 2.81Å; L666-I670 HydrophobicContact CD1-CD1 4.48Å
667N82.5Confident91.2Very high153 Ų15360.7 Ų60.782%0.81832%0.324SS*.THydrogen-bonded Turntrans51.337.3-172.4-16535.9000112.7E663 E664 H665E663-N667 WeakPolarHBondContact O-CA 3.39Å; E663-N667 PolarHBondContact O-N 3.2Å; E664-N667 PolarHBondContact O-N 3.18Å; H665-N667 VanDerWaalsContact C-N 3.33Å
668C83.5Confident90.7Very high50 Ų5061.4 Ų61.434%0.33833%0.326SS..SBendtrans-149.9154.1179.4770000111.7E663 L666E663-C668 CarbonylContact C-O 3.38Å; E663-C668 VanDerWaalsContact CA-O 3.23Å; E663-C668 WeakPolarHBondContact CA-O 3.32Å; E663-C668 WeakPolarHBondContact CB-O 3.38Å; E663-C668 WeakPolarHBondContact CG-O 2.92Å; E663-C668 PolarHBondContact O-N 3.09Å; E663-C668 VanDerWaalsContact O-N 3.09Å; L666-C668 PolarHBondContact O-N 2.81Å
669T87.8Confident90.1Very high118 Ų11861 Ų6172%0.72433%0.325SS*.PPolyproline II helixtrans-91.5128169.5-57.60000109E663E663-T669 WeakPolarHBondContact OE1-CA 3.19Å; E663-T669 WeakPolarHBondContact OE1-CG2 3.41Å
670I91.9Very high88.8Confident2 Ų265.2 Ų65.21%0.0135%0.352CS..PPolyproline II helixtrans-81.1131.2-178.6-59.6162.1000109V445 Y599 L659 I662 E663 L666 Q672V445-I670 HydrophobicContact CB-CG2 4.46Å; V445-I670 HydrophobicContact CG2-CB 4.15Å; V445-I670 HydrophobicContact CG2-CG2 3.8Å; Y599-I670 HydrophobicContact CE1-CD1 3.93Å; Y599-I670 WeakPolarHBondContact OH-CD1 3.42Å; L659-I670 HydrophobicContact CD1-CD1 3.89Å; I662-I670 HydrophobicContact CG2-CD1 3.94Å; E663-I670 HydrophobicContact CG-CD1 4.15Å; E663-I670 HydrophobicContact CG-CG1 4.16Å; E663-I670 PolarHBondContact OE1-N 3.17Å; L666-I670 HydrophobicContact CD1-CD1 4.48Å; I670-Q672 PolarHBondContact O-N 2.76Å
671S90.7Very high87.1Confident74 Ų7466.5 Ų66.552%0.51736%0.357SS..PPolyproline II helixtrans-55.2128.9179-66.20000112V444 V445V444-S671 CarbonylContact C-O 3.56Å; V444-S671 WeakPolarHBondContact CA-O 3.42Å; V445-S671 PolarHBondContact N-O 3.23Å
672Q92.8Very high84.9Confident123 Ų12368 Ų6858%0.57537%0.366SS*.BIsolated β-bridgetrans-94139.5176.6-62.9-171.726.400111.2V445 I670V445-Q672 HydrophobicContact CB-CG 4.36Å; V445-Q672 HydrophobicContact CG1-CG 4.34Å; V445-Q672 CarbonylContact O-C 3.58Å; V445-Q672 VanDerWaalsContact O-CA 3.28Å; V445-Q672 WeakPolarHBondContact O-CA 3.35Å; I670-Q672 PolarHBondContact O-N 2.76Å
673V92.4Very high82.4Confident8 Ų877 Ų775%0.04841%0.408CS..  trans-122.3141.4179.61770000109.3V444 V445 V446 P447 V679V444-V673 HydrophobicContact CB-CG2 3.81Å; V444-V673 HydrophobicContact CG1-CG2 3.85Å; V444-V673 HydrophobicContact CG2-CG2 4.16Å; V445-V673 PolarHBondContact O-N 3.21Å; V446-V673 HydrophobicContact CG2-CB 4.3Å; P447-V673 VanDerWaalsContact CD-O 3.29Å; P447-V673 WeakPolarHBondContact CD-O 3.28Å; V673-V679 HydrophobicContact CG1-CG2 4.34Å; V673-V679 HydrophobicContact CG2-CG2 4.21Å
674E92.9Very high80.1Confident137 Ų13784.2 Ų84.264%0.6444%0.44SS*.  trans-61160.5-178.8-69.1-60143.500112.9D676 I677E674-D676 PolarHBondContact O-N 2.88Å; E674-I677 WeakPolarHBondContact O-CA 3.4Å; E674-I677 PolarHBondContact O-N 3Å
675P89.5Confident77.8Confident35 Ų3579.5 Ų79.523%0.22742%0.419CS..THydrogen-bonded Turntrans-55.1-18.2178.4-32.539.4000116.2Y496 R499 I677Y496-P675 HydrophobicContact CE2-CB 4.29Å; Y496-P675 WeakPolarHBondContact OH-CB 3.34Å; R499-P675 VanDerWaalsContact CD-O 3.3Å; R499-P675 WeakPolarHBondContact CD-O 3.43Å; R499-P675 PolarHBondContact NH1-O 3.43Å; P675-I677 PolarHBondContact O-N 2.91Å
676D91Very high75.6Confident65 Ų6580.2 Ų80.235%0.34844%0.438SS..THydrogen-bonded Turntrans-74.7-8.5173.475-11.1000113.2E674 K678E674-D676 PolarHBondContact O-N 2.88Å; D676-K678 PolarHBondContact O-N 3.35Å; D676-K678 PolarHBondContact OD1-N 3.49Å; D676-K678 WeakPolarHBondContact OD2-CD 3.34Å; D676-K678 WeakPolarHBondContact OD2-CE 3.42Å; D676-K678 IonicContact OD2-NZ 3.83Å; D676-K678 PolarHBondContact OD2-NZ 3.43Å
677I92.7Very high73.5Confident0 Ų088.8 Ų88.80%048%0.475CS..  trans59.730.6176.3-42.4-176.5000111.4V446 Y496 R499 A500 H504 I616 E674 P675 V679V446-I677 HydrophobicContact CG1-CD1 4.48Å; V446-I677 HydrophobicContact CG1-CG1 4.13Å; V446-I677 HydrophobicContact CG2-CG1 4.24Å; V446-I677 HydrophobicContact CG2-CG2 4.15Å; Y496-I677 HydrophobicContact CD2-CD1 4.42Å; Y496-I677 HydrophobicContact CG-CD1 4.28Å; Y496-I677 VanDerWaalsContact O-CD1 3.27Å; Y496-I677 WeakPolarHBondContact O-CD1 3.25Å; R499-I677 HydrophobicContact CB-CD1 4.07Å; R499-I677 HydrophobicContact CG-CD1 4.18Å; R499-I677 HydrophobicContact CG-CG1 4.37Å; A500-I677 HydrophobicContact CB-CD1 4.04Å; A500-I677 HydrophobicContact CB-CG2 4.11Å; H504-I677 PolarHBondContact NE2-O 2.93Å; I616-I677 HydrophobicContact CD1-CG2 3.9Å; I616-I677 HydrophobicContact CG2-CG2 4.41Å; E674-I677 WeakPolarHBondContact O-CA 3.4Å; E674-I677 PolarHBondContact O-N 3Å; P675-I677 PolarHBondContact O-N 2.91Å; I677-V679 PolarHBondContact O-N 2.71Å; I677-V679 VanDerWaalsContact O-N 3.07Å
678K89.1Confident71.9Confident117 Ų11783 Ų8351%0.50944%0.444SS..  trans-80.489169.9-70.6-172.8-167121.60110E503 D676 P680E503-K678 HydrophobicContact CG-CG 4.4Å; D676-K678 PolarHBondContact O-N 3.35Å; D676-K678 PolarHBondContact OD1-N 3.49Å; D676-K678 WeakPolarHBondContact OD2-CD 3.34Å; D676-K678 WeakPolarHBondContact OD2-CE 3.42Å; D676-K678 IonicContact OD2-NZ 3.83Å; D676-K678 PolarHBondContact OD2-NZ 3.43Å; K678-P680 VanDerWaalsContact O-CD 3.26Å; K678-P680 WeakPolarHBondContact O-CD 3.46Å
679V84.3Confident70.7Confident13 Ų1384.1 Ų84.18%0.07945%0.45CS..  trans-65.7118.1172.5-176.10000108.7H442 V444 H504 L614 V673 I677 V681H442-V679 WeakPolarHBondContact CE1-CG1 3.25Å; V444-V679 HydrophobicContact CG1-CG1 4.01Å; V444-V679 HydrophobicContact CG2-CG2 3.91Å; H504-V679 WeakPolarHBondContact NE2-CG2 3.29Å; L614-V679 HydrophobicContact CD1-CG1 4.17Å; L614-V679 HydrophobicContact CD1-CG2 4.34Å; L614-V679 HydrophobicContact CD2-CG2 4.21Å; V673-V679 HydrophobicContact CG1-CG2 4.34Å; V673-V679 HydrophobicContact CG2-CG2 4.21Å; I677-V679 PolarHBondContact O-N 2.71Å; I677-V679 VanDerWaalsContact O-N 3.07Å; V679-V681 PolarHBondContact O-N 2.63Å
680P69.2Low69.8Low91 Ų9179.9 Ų79.959%0.59142%0.421SS*.  trans-55.4136.2175.8-22.833.6000110.3K678 D682K678-P680 VanDerWaalsContact O-CD 3.26Å; K678-P680 WeakPolarHBondContact O-CD 3.46Å; P680-D682 PolarHBondContact O-N 2.8Å
681V60Low68Low97 Ų9780.9 Ų80.959%0.58843%0.431SS*.  trans-75.4109.3169.6-1770000105.9V679 E683V679-V681 PolarHBondContact O-N 2.63Å; V681-E683 PolarHBondContact O-N 3.41Å
682D48.6Very low66.2Low93 Ų9383.3 Ų83.350%0.49744%0.435SS..  trans-63.6123.6-179.4-153-19000110P680 F684 D685P680-D682 PolarHBondContact O-N 2.8Å; D682-F684 PolarHBondContact O-N 3.24Å; D682-D685 PolarHBondContact O-N 3.02Å
683E39.5Very low64Low191 Ų19183 Ų8389%0.89343%0.431SS*.G310 helixtrans-68.7-21.2-177.3-75.5-170.2160.100112.1V681 D685V681-E683 PolarHBondContact O-N 3.41Å; E683-D685 PolarHBondContact O-N 2.85Å; E683-D685 VanDerWaalsContact O-N 3.09Å
684F44.6Very low61.8Low187 Ų18789.4 Ų89.482%0.8246%0.455SS*.G310 helixtrans-58.2-21.2173.4-107.1-90.4000112.8D682D682-F684 PolarHBondContact O-N 3.24Å
685D41.5Very low59.5Low49 Ų4987.9 Ų87.926%0.26247%0.466SS..G310 helixtrans-122.322.4-165.3-121.9-13.1000114.7M612 D682 E683 V688 R694M612-D685 WeakPolarHBondContact CE-OD2 3.37Å; D682-D685 PolarHBondContact O-N 3.02Å; E683-D685 PolarHBondContact O-N 2.85Å; E683-D685 VanDerWaalsContact O-N 3.09Å; D685-V688 HydrophobicContact CB-CG2 4.37Å; D685-V688 WeakPolarHBondContact O-CG2 3.27Å; D685-R694 IonicContact OD1-NH2 3.59Å; D685-R694 PolarHBondContact OD1-NH2 2.94Å
686G39.1Very low57.1Low58 Ų5891.3 Ų91.360%0.59850%0.497SS*.  trans4188.1161.600000116.7V688G686-V688 VanDerWaalsContact C-N 3.32Å; G686-V688 PolarHBondContact O-N 3.5Å
687K39.7Very low54.4Low204 Ų20489.9 Ų89.989%0.88750%0.497SS*.SBendtrans49.144.8170.6-65.6-175.3178.4177.90114.5T689K687-T689 PolarHBondContact O-N 3.43Å
688V50.2Low51.6Low30 Ų3093.7 Ų93.718%0.18254%0.536CS..  trans-73.6113.5170.5165.80000109.9M612 D685 G686 Y690M612-V688 HydrophobicContact CB-CG1 3.54Å; M612-V688 HydrophobicContact CG-CB 4.49Å; M612-V688 HydrophobicContact CG-CG1 3.74Å; M612-V688 HydrophobicContact CG-CG2 4Å; D685-V688 HydrophobicContact CB-CG2 4.37Å; D685-V688 WeakPolarHBondContact O-CG2 3.27Å; G686-V688 VanDerWaalsContact C-N 3.32Å; G686-V688 PolarHBondContact O-N 3.5Å; V688-Y690 HydrophobicContact CG1-CD1 4.28Å; V688-Y690 HydrophobicContact CG1-CE1 4.48Å
689T57.8Low49.2Very low74 Ų7489.6 Ų89.645%0.45453%0.527SS..  trans-86.9116.8155.6-27.80000106.7K687 G691 Q692K687-T689 PolarHBondContact O-N 3.43Å; T689-G691 PolarHBondContact O-N 3.03Å; T689-Q692 VanDerWaalsContact CB-OE1 3.29Å; T689-Q692 HydrophobicContact CG2-CG 4.41Å; T689-Q692 PolarHBondContact O-N 2.95Å; T689-Q692 PolarHBondContact OG1-OE1 3.4Å
690Y67.8Low47.1Very low30 Ų3093.3 Ų93.312%0.11855%0.554CS.*THydrogen-bonded Turntrans-53.7132.4178.5-57.1-74.1000110.6H442 Y586 M612 L614 V688 Q692H442-Y690 HydrophobicContact CB-CE1 4.11Å; H442-Y690 AromaticContact ND1-CZ 3.81Å; H442-Y690 PolarHBondContact ND1-OH 3.29Å; Y586-Y690 HydrophobicContact CE1-CD2 4.03Å; Y586-Y690 HydrophobicContact CE1-CG 4.07Å; Y586-Y690 PolarHBondContact OH-O 2.7Å; M612-Y690 HydrophobicContact CB-CD1 4.16Å; M612-Y690 HydrophobicContact CB-CE1 4.47Å; L614-Y690 HydrophobicContact CB-CD1 3.69Å; L614-Y690 HydrophobicContact CB-CD2 4.06Å; L614-Y690 HydrophobicContact CB-CE1 3.76Å; L614-Y690 HydrophobicContact CB-CE2 4.13Å; L614-Y690 HydrophobicContact CB-CG 3.85Å; L614-Y690 HydrophobicContact CD1-CE1 4.43Å; L614-Y690 HydrophobicContact CD2-CD2 4.03Å; L614-Y690 HydrophobicContact CD2-CE2 3.76Å; L614-Y690 HydrophobicContact CG-CE2 4.37Å; V688-Y690 HydrophobicContact CG1-CD1 4.28Å; V688-Y690 HydrophobicContact CG1-CE1 4.48Å; Y690-Q692 PolarHBondContact O-N 3.33Å
691G54.1Low46.1Very low22 Ų2297.4 Ų97.423%0.22756%0.559CS.*THydrogen-bonded Turntrans85.2-17-175.900000117.1M612 T689M612-G691 PolarHBondContact O-N 3.08Å; T689-G691 PolarHBondContact O-N 3.03Å
692Q53.3Low45.4Very low126 Ų126100.3 Ų100.359%0.58956%0.564SS**SBendtrans-81.3140172.4-70.5-171.9-21.700111T689 Y690T689-Q692 VanDerWaalsContact CB-OE1 3.29Å; T689-Q692 HydrophobicContact CG2-CG 4.41Å; T689-Q692 PolarHBondContact O-N 2.95Å; T689-Q692 PolarHBondContact OG1-OE1 3.4Å; Y690-Q692 PolarHBondContact O-N 3.33Å
693K46.6Very low45.6Very low116 Ų11697.2 Ų97.250%0.50455%0.554SS.*  trans-63.2139.1164.9-74.8-166.3174.8-135.10108.2E610 R611 A695E610-K693 WeakPolarHBondContact OE2-CE 3.45Å; E610-K693 IonicContact OE2-NZ 3.7Å; E610-K693 PolarHBondContact OE2-NZ 3.04Å; R611-K693 HydrophobicContact CG-CG 4.45Å; K693-A695 PolarHBondContact O-N 2.77Å
694R46.1Very low46.1Very low143 Ų14394 Ų9454%0.5454%0.539SS..  trans-50.6105.7169.8-80.1-177173.1171.9-0.3109D685D685-R694 IonicContact OD1-NH2 3.59Å; D685-R694 PolarHBondContact OD1-NH2 2.94Å
695A44Very low47.3Very low105 Ų10589 Ų8987%0.86852%0.523SS*.SBendtrans-80.3-20.9-175.900000112.7K693K693-A695 PolarHBondContact O-N 2.77Å
696A38.9Very low48.7Very low106 Ų10691.7 Ų91.788%0.87654%0.538SS*.SBendtrans-153.382.3179.300000108.4
697G35.2Very low50.3Low35 Ų3594.3 Ų94.336%0.36154%0.537SS..  trans-168.654.4179.600000108.9G699G697-G699 VanDerWaalsContact C-N 3.34Å; G697-G699 PolarHBondContact O-N 3.42Å
698G33.8Very low52.3Low80 Ų8088.3 Ų88.383%0.82551%0.514SS*.  trans-47.5115.4150.500000104.6S700G698-S700 PolarHBondContact O-N 3.48Å
699G39.4Very low53.8Low31 Ų3189 Ų8932%0.3252%0.522SS..  trans-44.9138.1-160.800000109.4G697 Y701G697-G699 VanDerWaalsContact C-N 3.34Å; G697-G699 PolarHBondContact O-N 3.42Å; G699-Y701 WeakPolarHBondContact O-CD2 3.48Å; G699-Y701 PolarHBondContact O-N 3.33Å
700S39.6Very low55.1Low92 Ų9289.3 Ų89.364%0.64353%0.526SS*.  trans-65.267.5151.5-1720000106.2G698 K702 G703 H704G698-S700 PolarHBondContact O-N 3.48Å; S700-K702 PolarHBondContact O-N 2.89Å; S700-K702 VanDerWaalsContact O-N 3.15Å; S700-G703 PolarHBondContact O-N 3.1Å; S700-G703 PolarHBondContact OG-N 2.97Å; S700-H704 PolarHBondContact O-N 3.21Å
701Y47.3Very low55.9Low176 Ų17691.6 Ų91.669%0.6954%0.543SS*.Hα-helixtrans-52.7-29.2166.2-78.6-79.1000107.2G699 G703 H704 V705G699-Y701 WeakPolarHBondContact O-CD2 3.48Å; G699-Y701 PolarHBondContact O-N 3.33Å; Y701-G703 PolarHBondContact O-N 3.22Å; Y701-H704 PolarHBondContact O-N 3.41Å; Y701-V705 WeakPolarHBondContact O-CA 3.39Å; Y701-V705 WeakPolarHBondContact O-CB 3.33Å; Y701-V705 WeakPolarHBondContact O-CG2 3.48Å; Y701-V705 PolarHBondContact O-N 3.22Å
702K46.9Very low57.5Low159 Ų15994.6 Ų94.669%0.69156%0.557SS**Hα-helixtrans-54.3-53.5171.6-147.3174.9-176.5-178.30112.6S700 D706S700-K702 PolarHBondContact O-N 2.89Å; S700-K702 VanDerWaalsContact O-N 3.15Å; K702-D706 WeakPolarHBondContact O-CB 3.43Å; K702-D706 PolarHBondContact O-N 2.89Å
703G51.2Low59.3Low28 Ų2895.5 Ų95.529%0.28956%0.561SS.*Hα-helixtrans-64.7-45.1179.200000113.6S700 Y701 D706 I707S700-G703 PolarHBondContact O-N 3.1Å; S700-G703 PolarHBondContact OG-N 2.97Å; Y701-G703 PolarHBondContact O-N 3.22Å; G703-D706 PolarHBondContact O-N 2.91Å; G703-I707 WeakPolarHBondContact O-CB 3.43Å; G703-I707 WeakPolarHBondContact O-CD1 3.49Å; G703-I707 VanDerWaalsContact O-CG1 3.22Å; G703-I707 WeakPolarHBondContact O-CG1 3.32Å; G703-I707 PolarHBondContact O-N 3.07Å
704H51.7Low61.4Low124 Ų12496 Ų9657%0.57457%0.565SS**Hα-helixtrans-70.3-38.2180-122.2107.5000112.5S700 Y701 I707 L708S700-H704 PolarHBondContact O-N 3.21Å; Y701-H704 PolarHBondContact O-N 3.41Å; H704-I707 PolarHBondContact O-N 3.22Å; H704-L708 WeakPolarHBondContact O-CB 3.32Å; H704-L708 VanDerWaalsContact O-CG 3.24Å; H704-L708 WeakPolarHBondContact O-CG 3.43Å; H704-L708 PolarHBondContact O-N 3.45Å
705V69.3Low63.5Low82 Ų8294.8 Ų94.850%0.49757%0.569SS.*Hα-helixtrans-67.3-40.4173.4172.70000109.9Y701 I707 L708 A709Y701-V705 WeakPolarHBondContact O-CA 3.39Å; Y701-V705 WeakPolarHBondContact O-CB 3.33Å; Y701-V705 WeakPolarHBondContact O-CG2 3.48Å; Y701-V705 PolarHBondContact O-N 3.22Å; V705-I707 VanDerWaalsContact C-N 3.34Å; V705-I707 PolarHBondContact O-N 2.96Å; V705-L708 PolarHBondContact O-N 3.32Å; V705-A709 VanDerWaalsContact O-CA 3.31Å; V705-A709 WeakPolarHBondContact O-CA 3.24Å; V705-A709 WeakPolarHBondContact O-CB 3.32Å; V705-A709 PolarHBondContact O-N 3.01Å
706D71.3Confident65.8Low105 Ų10592.1 Ų92.156%0.56155%0.547SS*.Hα-helixtrans-65.1-38.6177-68-25000111.2K702 G703 P710K702-D706 WeakPolarHBondContact O-CB 3.43Å; K702-D706 PolarHBondContact O-N 2.89Å; G703-D706 PolarHBondContact O-N 2.91Å; D706-P710 WeakPolarHBondContact O-CD 3.46Å
707I72.4Confident68.4Low113 Ų11389.8 Ų89.858%0.57953%0.527SS*.Hα-helixtrans-72.1-43176.2-68.4165.6000111.8G703 H704 V705 P710G703-I707 WeakPolarHBondContact O-CB 3.43Å; G703-I707 WeakPolarHBondContact O-CD1 3.49Å; G703-I707 VanDerWaalsContact O-CG1 3.22Å; G703-I707 WeakPolarHBondContact O-CG1 3.32Å; G703-I707 PolarHBondContact O-N 3.07Å; H704-I707 PolarHBondContact O-N 3.22Å; V705-I707 VanDerWaalsContact C-N 3.34Å; V705-I707 PolarHBondContact O-N 2.96Å; I707-P710 WeakPolarHBondContact O-CD 3.36Å
708L81Confident71.1Confident78 Ų7892.7 Ų92.741%0.40853%0.534SS..Hα-helixtrans-81.6-20.1-178.8-70.4174.7000112.7H704 V705 T711 V712H704-L708 WeakPolarHBondContact O-CB 3.32Å; H704-L708 VanDerWaalsContact O-CG 3.24Å; H704-L708 WeakPolarHBondContact O-CG 3.43Å; H704-L708 PolarHBondContact O-N 3.45Å; V705-L708 PolarHBondContact O-N 3.32Å; L708-T711 CarbonylContact O-C 3.38Å; L708-T711 PolarHBondContact O-N 3.4Å; L708-V712 HydrophobicContact CB-CG2 4.14Å; L708-V712 WeakPolarHBondContact O-CB 3.49Å; L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.26Å; L708-V712 PolarHBondContact O-N 3.32Å
709A81.6Confident74Confident43 Ų4394.1 Ų94.136%0.35552%0.519SS..Hα-helixtrans-54.4-45.3-176.200000112.7V705 Q713V705-A709 VanDerWaalsContact O-CA 3.31Å; V705-A709 WeakPolarHBondContact O-CA 3.24Å; V705-A709 WeakPolarHBondContact O-CB 3.32Å; V705-A709 PolarHBondContact O-N 3.01Å; A709-Q713 WeakPolarHBondContact O-CB 3.39Å; A709-Q713 PolarHBondContact O-N 3.49Å
710P85Confident76.5Confident81 Ų8199.5 Ų99.553%0.52653%0.534SS..Hα-helixtrans-58.7-48.9172.9-22.633000112.6D706 I707 Q713 E714D706-P710 WeakPolarHBondContact O-CD 3.46Å; I707-P710 WeakPolarHBondContact O-CD 3.36Å; P710-Q713 PolarHBondContact O-N 2.9Å; P710-E714 WeakPolarHBondContact O-CB 3.17Å; P710-E714 PolarHBondContact O-N 3.34Å
711T85Confident79Confident78 Ų78101.3 Ų101.348%0.47953%0.532SS..Hα-helixtrans-65.7-41.9-178.5-46.80000112.1L708 Q713 E714 L715L708-T711 CarbonylContact O-C 3.38Å; L708-T711 PolarHBondContact O-N 3.4Å; T711-Q713 VanDerWaalsContact C-N 3.32Å; T711-E714 PolarHBondContact O-N 3Å; T711-L715 VanDerWaalsContact O-CB 3.31Å; T711-L715 WeakPolarHBondContact O-CB 3.04Å; T711-L715 PolarHBondContact O-N 2.96Å
712V88.1Confident81Confident85 Ų8595.9 Ų95.952%0.51552%0.524SS..Hα-helixtrans-66.7-36.9176.1172.50000110.3L708 L715 A716L708-V712 HydrophobicContact CB-CG2 4.14Å; L708-V712 WeakPolarHBondContact O-CB 3.49Å; L708-V712 VanDerWaalsContact O-CG2 3.3Å; L708-V712 WeakPolarHBondContact O-CG2 3.26Å; L708-V712 PolarHBondContact O-N 3.32Å; V712-L715 PolarHBondContact O-N 3.23Å; V712-A716 VanDerWaalsContact O-CB 3.23Å; V712-A716 WeakPolarHBondContact O-CB 3.31Å; V712-A716 PolarHBondContact O-N 3.02Å
713Q90.4Very high83Confident146 Ų14693.3 Ų93.368%0.68251%0.514SS*.Hα-helixtrans-68.6-38.5175.6-171.1172.16.100111.8A709 P710 T711 A717A709-Q713 WeakPolarHBondContact O-CB 3.39Å; A709-Q713 PolarHBondContact O-N 3.49Å; P710-Q713 PolarHBondContact O-N 2.9Å; T711-Q713 VanDerWaalsContact C-N 3.32Å; Q713-A717 WeakPolarHBondContact O-CB 3.5Å; Q713-A717 PolarHBondContact O-N 3.44Å
714E91.7Very high84.7Confident127 Ų12794.6 Ų94.659%0.59352%0.517SS*.Hα-helixtrans-66.2-45.3172.1-173.4173.8-164.500111.5P710 T711 A716 A717 L718P710-E714 WeakPolarHBondContact O-CB 3.17Å; P710-E714 PolarHBondContact O-N 3.34Å; T711-E714 PolarHBondContact O-N 3Å; E714-A716 PolarHBondContact O-N 2.53Å; E714-A717 WeakPolarHBondContact O-CB 3.38Å; E714-A717 PolarHBondContact O-N 3.1Å; E714-A717 VanDerWaalsContact O-N 3.12Å; E714-L718 HydrophobicContact CG-CD1 4.31Å; E714-L718 WeakPolarHBondContact O-CG 3.45Å; E714-L718 PolarHBondContact O-N 3.4Å
715L90.8Very high86.2Confident117 Ų11791.6 Ų91.661%0.61351%0.509SS*.Hα-helixtrans-61-44.1176.3-161.884.8000111.3T711 V712 A717 L718 E719T711-L715 VanDerWaalsContact O-CB 3.31Å; T711-L715 WeakPolarHBondContact O-CB 3.04Å; T711-L715 PolarHBondContact O-N 2.96Å; V712-L715 PolarHBondContact O-N 3.23Å; L715-A717 VanDerWaalsContact C-N 3.31Å; L715-A717 PolarHBondContact O-N 3.37Å; L715-L718 PolarHBondContact O-N 3.42Å; L715-E719 WeakPolarHBondContact O-CB 3.38Å; L715-E719 PolarHBondContact O-N 2.86Å
716A92.2Very high86.7Confident49 Ų4994.3 Ų94.341%0.40552%0.515SS..Hα-helixtrans-65.9-33.5175.500000112.2V712 E714 K720V712-A716 VanDerWaalsContact O-CB 3.23Å; V712-A716 WeakPolarHBondContact O-CB 3.31Å; V712-A716 PolarHBondContact O-N 3.02Å; E714-A716 PolarHBondContact O-N 2.53Å; A716-K720 WeakPolarHBondContact O-CB 2.94Å; A716-K720 PolarHBondContact O-N 3.29Å
717A92Very high87.1Confident56 Ų5694.1 Ų94.146%0.46351%0.513SS..Hα-helixtrans-67.7-44.6173.300000111.5Q713 E714 L715 K720 E721Q713-A717 WeakPolarHBondContact O-CB 3.5Å; Q713-A717 PolarHBondContact O-N 3.44Å; E714-A717 WeakPolarHBondContact O-CB 3.38Å; E714-A717 PolarHBondContact O-N 3.1Å; E714-A717 VanDerWaalsContact O-N 3.12Å; L715-A717 VanDerWaalsContact C-N 3.31Å; L715-A717 PolarHBondContact O-N 3.37Å; A717-K720 PolarHBondContact O-N 3.05Å; A717-E721 WeakPolarHBondContact O-CB 3.38Å; A717-E721 PolarHBondContact O-N 3.34Å
718L93.6Very high87.3Confident96 Ų9694.9 Ų94.950%0.50351%0.514SS..Hα-helixtrans-64.3-43.6175.5-74.2169.9000112E714 L715 E721 A722E714-L718 HydrophobicContact CG-CD1 4.31Å; E714-L718 WeakPolarHBondContact O-CG 3.45Å; E714-L718 PolarHBondContact O-N 3.4Å; L715-L718 PolarHBondContact O-N 3.42Å; L718-E721 PolarHBondContact O-N 3.12Å; L718-A722 WeakPolarHBondContact O-CB 3.37Å; L718-A722 PolarHBondContact O-N 3.43Å
719E93.7Very high86.9Confident111 Ų11196.6 Ų96.652%0.51952%0.523SS..Hα-helixtrans-60.5-47.6175.1-174.5-170.4176.400110.3L715 E721 A722 Q723L715-E719 WeakPolarHBondContact O-CB 3.38Å; L715-E719 PolarHBondContact O-N 2.86Å; E719-E721 VanDerWaalsContact C-N 3.32Å; E719-E721 PolarHBondContact O-N 3.18Å; E719-A722 PolarHBondContact O-N 3.38Å; E719-Q723 HydrophobicContact CG-CG 4.46Å; E719-Q723 WeakPolarHBondContact O-CB 3.13Å; E719-Q723 VanDerWaalsContact O-CG 3.28Å; E719-Q723 WeakPolarHBondContact O-CG 3.25Å; E719-Q723 PolarHBondContact O-N 3Å; E719-Q723 PolarHBondContact OE1-NE2 2.97Å
720K92.9Very high85.7Confident143 Ų14395.9 Ų95.962%0.62252%0.519SS*.Hα-helixtrans-61.2-41.1175.8-177.3-179.7178.1-176.90111.5A716 A717 T724A716-K720 WeakPolarHBondContact O-CB 2.94Å; A716-K720 PolarHBondContact O-N 3.29Å; A717-K720 PolarHBondContact O-N 3.05Å; K720-T724 WeakPolarHBondContact O-CB 3.38Å; K720-T724 PolarHBondContact O-N 2.94Å; K720-T724 PolarHBondContact O-OG1 3.39Å
721E92.2Very high83.9Confident131 Ų131101.1 Ų101.161%0.61253%0.53SS*.Hα-helixtrans-64.8-44.4176.7-173.4174.9-173.500111.2A717 L718 E719 T724 S725A717-E721 WeakPolarHBondContact O-CB 3.38Å; A717-E721 PolarHBondContact O-N 3.34Å; L718-E721 PolarHBondContact O-N 3.12Å; E719-E721 VanDerWaalsContact C-N 3.32Å; E719-E721 PolarHBondContact O-N 3.18Å; E721-T724 PolarHBondContact O-N 3.05Å; E721-S725 WeakPolarHBondContact O-CB 3.29Å; E721-S725 PolarHBondContact O-N 3.27Å
722A88Confident82.1Confident62 Ų62103.5 Ų103.551%0.51254%0.539SS..Hα-helixtrans-62.7-46.2176.100000111.7L718 E719 S725 F726L718-A722 WeakPolarHBondContact O-CB 3.37Å; L718-A722 PolarHBondContact O-N 3.43Å; E719-A722 PolarHBondContact O-N 3.38Å; A722-S725 PolarHBondContact O-N 3.44Å; A722-F726 WeakPolarHBondContact O-CB 3.4Å; A722-F726 PolarHBondContact O-N 3.09Å
723Q89.5Confident80.2Confident105 Ų105104.8 Ų104.849%0.49155%0.549SS..Hα-helixtrans-63.5-42.4174.8-71.5176.67.500111.5E719 F726 L727E719-Q723 HydrophobicContact CG-CG 4.46Å; E719-Q723 WeakPolarHBondContact O-CB 3.13Å; E719-Q723 VanDerWaalsContact O-CG 3.28Å; E719-Q723 WeakPolarHBondContact O-CG 3.25Å; E719-Q723 PolarHBondContact O-N 3Å; E719-Q723 PolarHBondContact OE1-NE2 2.97Å; Q723-F726 PolarHBondContact O-N 2.63Å; Q723-L727 WeakPolarHBondContact O-CB 3.21Å; Q723-L727 VanDerWaalsContact O-CG 3.23Å; Q723-L727 WeakPolarHBondContact O-CG 3.39Å; Q723-L727 PolarHBondContact O-N 2.96Å
724T86.8Confident78.3Confident55 Ų55105.3 Ų105.334%0.33756%0.557SS.*Hα-helixtrans-66.2-40.7177.3-59.60000111.1K720 E721 L727 H728K720-T724 WeakPolarHBondContact O-CB 3.38Å; K720-T724 PolarHBondContact O-N 2.94Å; K720-T724 PolarHBondContact O-OG1 3.39Å; E721-T724 PolarHBondContact O-N 3.05Å; T724-L727 PolarHBondContact O-N 3.39Å; T724-H728 WeakPolarHBondContact CG2-CE1 3.11Å; T724-H728 WeakPolarHBondContact O-CB 3.31Å; T724-H728 VanDerWaalsContact O-CG 3.32Å; T724-H728 PolarHBondContact O-N 3.3Å; T724-H728 PolarHBondContact O-ND1 2.83Å
725S83.1Confident76.2Confident60 Ų60107.9 Ų107.942%0.4257%0.569SS.*Hα-helixtrans-62.3-47.1173.9-1780000110.9E721 A722 L727 H728 L729E721-S725 WeakPolarHBondContact O-CB 3.29Å; E721-S725 PolarHBondContact O-N 3.27Å; A722-S725 PolarHBondContact O-N 3.44Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-L727 PolarHBondContact O-N 2.91Å; S725-H728 PolarHBondContact O-N 3.44Å; S725-L729 WeakPolarHBondContact O-CB 3.25Å; S725-L729 WeakPolarHBondContact O-CD1 3.42Å; S725-L729 WeakPolarHBondContact O-CG 3.13Å; S725-L729 PolarHBondContact O-N 3.42Å
726F79.7Confident74.4Confident140 Ų140108.9 Ų108.961%0.61457%0.574SS**Hα-helixtrans-59.2-43.2174.3179.6-96.5000112A722 Q723 L729 G730A722-F726 WeakPolarHBondContact O-CB 3.4Å; A722-F726 PolarHBondContact O-N 3.09Å; Q723-F726 PolarHBondContact O-N 2.63Å; F726-L729 WeakPolarHBondContact O-CB 3.41Å; F726-L729 PolarHBondContact O-N 3.35Å; F726-G730 PolarHBondContact O-N 3.2Å
727L78.7Confident72Confident100 Ų100115 Ų11552%0.52459%0.592SS.*Hα-helixtrans-65-43175-71.8170.7000111.6Q723 T724 S725 G730 Y731Q723-L727 WeakPolarHBondContact O-CB 3.21Å; Q723-L727 VanDerWaalsContact O-CG 3.23Å; Q723-L727 WeakPolarHBondContact O-CG 3.39Å; Q723-L727 PolarHBondContact O-N 2.96Å; T724-L727 PolarHBondContact O-N 3.39Å; S725-L727 VanDerWaalsContact C-N 3.34Å; S725-L727 PolarHBondContact O-N 2.91Å; L727-G730 CarbonylContact O-C 3.47Å; L727-G730 WeakPolarHBondContact O-CA 3.45Å; L727-G730 PolarHBondContact O-N 3.29Å; L727-G730 VanDerWaalsContact O-N 3.13Å; L727-Y731 WeakPolarHBondContact O-CB 3.24Å; L727-Y731 WeakPolarHBondContact O-CD2 3.46Å; L727-Y731 PolarHBondContact O-N 2.83Å
728H78Confident69.5Low130 Ų130123.7 Ų123.760%0.60261%0.612SS**Hα-helixtrans-64.7-37.6175.2-73.4140.7000112.7T724 S725 G730 Y731T724-H728 WeakPolarHBondContact CG2-CE1 3.11Å; T724-H728 WeakPolarHBondContact O-CB 3.31Å; T724-H728 VanDerWaalsContact O-CG 3.32Å; T724-H728 PolarHBondContact O-N 3.3Å; T724-H728 PolarHBondContact O-ND1 2.83Å; S725-H728 PolarHBondContact O-N 3.44Å; H728-G730 VanDerWaalsContact C-N 3.29Å; H728-G730 PolarHBondContact O-N 3.28Å; H728-Y731 CarbonylContact O-C 3.47Å; H728-Y731 PolarHBondContact O-N 2.91Å
729L71.2Confident67.1Low114 Ų114125.7 Ų125.760%0.59763%0.629SS**Hα-helixtrans-60-41.1170.3-84.2153.6000110.9S725 F726 L732S725-L729 WeakPolarHBondContact O-CB 3.25Å; S725-L729 WeakPolarHBondContact O-CD1 3.42Å; S725-L729 WeakPolarHBondContact O-CG 3.13Å; S725-L729 PolarHBondContact O-N 3.42Å; F726-L729 WeakPolarHBondContact O-CB 3.41Å; F726-L729 PolarHBondContact O-N 3.35Å; L729-L732 PolarHBondContact O-N 2.98Å
730G56.6Low64.4Low27 Ų27133.7 Ų133.728%0.27866%0.663SS.*Hα-helixtrans-72.1-24174.900000114.7F726 L727 H728 L732F726-G730 PolarHBondContact O-N 3.2Å; L727-G730 CarbonylContact O-C 3.47Å; L727-G730 WeakPolarHBondContact O-CA 3.45Å; L727-G730 PolarHBondContact O-N 3.29Å; L727-G730 VanDerWaalsContact O-N 3.13Å; H728-G730 VanDerWaalsContact C-N 3.29Å; H728-G730 PolarHBondContact O-N 3.28Å; G730-L732 VanDerWaalsContact C-N 3.27Å; G730-L732 PolarHBondContact O-N 2.95Å
731Y47.6Very low63Low192 Ų192133.3 Ų133.375%0.75367%0.665SS**THydrogen-bonded Turntrans-87.517.7175.5-94-82.7000113.5L727 H728 P733L727-Y731 WeakPolarHBondContact O-CB 3.24Å; L727-Y731 WeakPolarHBondContact O-CD2 3.46Å; L727-Y731 PolarHBondContact O-N 2.83Å; H728-Y731 CarbonylContact O-C 3.47Å; H728-Y731 PolarHBondContact O-N 2.91Å; Y731-P733 WeakPolarHBondContact O-CD 3.47Å
732L46.9Very low61.5Low127 Ų127133.4 Ų133.467%0.66567%0.667SS**SBendtrans-57.2111.1151.3-79.3167.3000106.7L729 G730 N734L729-L732 PolarHBondContact O-N 2.98Å; G730-L732 VanDerWaalsContact C-N 3.27Å; G730-L732 PolarHBondContact O-N 2.95Å; L732-N734 PolarHBondContact O-N 3.35Å
733P49.3Very low60Low112 Ų112137.3 Ų137.373%0.72768%0.676SS**THydrogen-bonded Turntrans-70.889.2-175.528.5-30.4000107.1Y731Y731-P733 WeakPolarHBondContact O-CD 3.47Å
734N49Very low58.3Low158 Ų158139.2 Ų139.285%0.84569%0.687SS**THydrogen-bonded Turntrans166.56.8143.4-84.3-29.9000118.2L732L732-N734 PolarHBondContact O-N 3.35Å
735Q49.3Very low56.5Low180 Ų180144.5 Ų144.584%0.84171%0.709SS**SBendtrans-131.6-12.8-168.2-78-161.3-12.300124.5
736L51.6Low54.7Low138 Ų138150.1 Ų150.172%0.72373%0.728SS**SBendtrans-121.1-2-167.3-88.6154.1000120.6
737F43Very low52.9Low178 Ų178150.9 Ų150.978%0.78174%0.736SS**  trans-133.572.5175.3-61.4-76.3000112.7T739F737-T739 PolarHBondContact O-N 3.31Å
738R39.6Very low51Low238 Ų238154.8 Ų154.890%0.89875%0.753SS**  trans-83.1106152.1-79.8-169178.4-172.50.4107.4F740R738-F740 PolarHBondContact O-N 2.65Å
739T41.5Very low48.7Very low138 Ų138156.8 Ų156.885%0.84777%0.765SS**  trans-1.4107162.744.30000115.2F737F737-T739 PolarHBondContact O-N 3.31Å
740F38.9Very low46.7Very low280 Ų280160.7 Ų160.7100%1.22878%0.781SS**  trans-67.90152.4-82.8-84.8000110.5R738R738-F740 PolarHBondContact O-N 2.65Å

Retrieved 740 of 740 residues in 793.2 ms (Link to these results)

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