A0A087X6S2_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087X6S2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 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
1M51.6Low71.2Confident162 Ų16265.4 Ų65.480%0.79838%0.38SS*.  0-110.80-59.9-140.4-74.900111.3A3 E4 L5 Y50M1-A3 PolarHBondContact O-N 3.22Å; M1-A3 VanDerWaalsContact O-N 3.15Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-E4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 2.65Å; M1-Y50 WeakPolarHBondContact CA-OH 3.42Å; M1-Y50 HydrophobicContact CB-CE1 4.48Å; M1-Y50 HydrophobicContact CG-CE1 4.03Å; M1-Y50 PolarHBondContact N-OH 3.39Å; M1-Y50 VanDerWaalsContact N-OH 3.14Å; M1-Y50 PolarHBondContact O-OH 3.33Å; M1-Y50 HydrophobicContact SD-CE1 4.49Å
2A57.3Low72.7Confident75 Ų7559.9 Ų59.962%0.6235%0.348SS*.Hα-helixtrans-52-45.7-16800000115.5L5 V6A2-L5 PolarHBondContact O-N 2.8Å; A2-V6 WeakPolarHBondContact O-CG2 3.16Å; A2-V6 PolarHBondContact O-N 2.97Å; A2-V6 VanDerWaalsContact O-N 3.16Å
3A56.8Low73.5Confident83 Ų8361.5 Ų61.569%0.68635%0.348SS*.Hα-helixtrans-65-49.4177.600000113.1M1 L5 V6 E7M1-A3 PolarHBondContact O-N 3.22Å; M1-A3 VanDerWaalsContact O-N 3.15Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 2.97Å; A3-V6 PolarHBondContact O-N 3.42Å; A3-E7 WeakPolarHBondContact O-CB 3.48Å; A3-E7 PolarHBondContact O-N 2.73Å
4E73.4Confident74Confident66 Ų6657.6 Ų57.631%0.30833%0.327SS..Hα-helixtrans-60.6-34.7175.1-74.6-177.3104.900113M1 E7 A8 Y50 R59M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 PolarHBondContact O-N 3.48Å; M1-E4 VanDerWaalsContact O-N 3.13Å; E4-E7 PolarHBondContact O-N 3.06Å; E4-A8 VanDerWaalsContact O-CB 3.27Å; E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 3.17Å; E4-Y50 VanDerWaalsContact CB-OH 3.27Å; E4-Y50 WeakPolarHBondContact CB-OH 3.44Å; E4-Y50 PolarHBondContact OE2-OH 3.23Å; E4-R59 IonicContact OE1-CZ 3.17Å; E4-R59 IonicContact OE1-NH1 3.17Å; E4-R59 PolarHBondContact OE1-NH1 2.94Å; E4-R59 IonicContact OE1-NH2 3.75Å; E4-R59 PolarHBondContact OE1-NH2 3.19Å
5L71.7Confident74.8Confident47 Ų4753.8 Ų53.825%0.24631%0.305CS..Hα-helixtrans-62.4-48.3175.1176.167.1000110.3M1 A2 A3 E7 M9 V46 Y50M1-L5 PolarHBondContact O-N 2.65Å; A2-L5 PolarHBondContact O-N 2.8Å; A3-L5 VanDerWaalsContact C-N 3.29Å; A3-L5 PolarHBondContact O-N 2.97Å; L5-E7 VanDerWaalsContact C-N 3.35Å; L5-M9 HydrophobicContact CD1-CG 4.37Å; L5-M9 HydrophobicContact CD1-SD 4.33Å; L5-M9 HydrophobicContact CG-SD 4.29Å; L5-M9 VanDerWaalsContact O-CB 3.3Å; L5-M9 WeakPolarHBondContact O-CB 3.45Å; L5-M9 WeakPolarHBondContact O-CG 3.42Å; L5-M9 PolarHBondContact O-N 3.2Å; L5-V46 HydrophobicContact CD1-CG1 3.76Å; L5-V46 VanDerWaalsContact CD1-O 3.29Å; L5-V46 WeakPolarHBondContact CD1-O 3.04Å; L5-Y50 HydrophobicContact CB-CD2 4.2Å; L5-Y50 HydrophobicContact CB-CE2 3.71Å; L5-Y50 HydrophobicContact CD1-CD2 3.71Å; L5-Y50 HydrophobicContact CD1-CE2 4.08Å; L5-Y50 HydrophobicContact CG-CE2 4.48Å
6V72.3Confident75.4Confident83 Ų8353.9 Ų53.950%0.50330%0.299SS..Hα-helixtrans-64-40.5176.8172.70000111.2A2 A3 N10A2-V6 WeakPolarHBondContact O-CG2 3.16Å; A2-V6 PolarHBondContact O-N 2.97Å; A2-V6 VanDerWaalsContact O-N 3.16Å; A3-V6 PolarHBondContact O-N 3.42Å; V6-N10 WeakPolarHBondContact O-CB 3.38Å; V6-N10 PolarHBondContact O-N 2.81Å; V6-N10 PolarHBondContact O-ND2 3.28Å
7E78.5Confident75.8Confident90 Ų9053.6 Ų53.642%0.42130%0.3SS..Hα-helixtrans-59.8-55.9174.8-174.2-175.7-167.900111.4A3 E4 L5 M9 N10 M11A3-E7 WeakPolarHBondContact O-CB 3.48Å; A3-E7 PolarHBondContact O-N 2.73Å; E4-E7 PolarHBondContact O-N 3.06Å; L5-E7 VanDerWaalsContact C-N 3.35Å; E7-M9 VanDerWaalsContact C-N 3.35Å; E7-M9 PolarHBondContact O-N 3Å; E7-N10 CarbonylContact O-C 3.52Å; E7-N10 WeakPolarHBondContact O-CA 3.47Å; E7-N10 WeakPolarHBondContact O-CB 3.48Å; E7-N10 PolarHBondContact O-N 3.15Å; E7-M11 HydrophobicContact CG-CE 3.73Å; E7-M11 HydrophobicContact CG-SD 4.39Å; E7-M11 WeakPolarHBondContact O-CG 3.49Å; E7-M11 PolarHBondContact O-N 2.88Å; E7-M11 WeakPolarHBondContact OE1-CE 3.38Å
8A80.1Confident76.4Confident4 Ų452.8 Ų52.83%0.03330%0.298CS..Hα-helixtrans-61.9-39.2179.700000112.4E4 N10 M11 V12 V46 L55 V58E4-A8 VanDerWaalsContact O-CB 3.27Å; E4-A8 WeakPolarHBondContact O-CB 3.48Å; E4-A8 PolarHBondContact O-N 3.17Å; A8-N10 VanDerWaalsContact C-N 3.27Å; A8-N10 PolarHBondContact O-N 3.47Å; A8-M11 PolarHBondContact O-N 3.1Å; A8-V12 WeakPolarHBondContact O-CG2 3.48Å; A8-V12 PolarHBondContact O-N 3.2Å; A8-V46 HydrophobicContact CB-CG1 4.08Å; A8-L55 HydrophobicContact CB-CD2 3.57Å; A8-V58 HydrophobicContact CB-CG1 4.11Å
9M78.6Confident77.1Confident26 Ų2650.9 Ų50.913%0.12829%0.287CS..Hα-helixtrans-62.6-33.1172-75.4-175.478.600112.4L5 E7 K13 L43 V46 Q47L5-M9 HydrophobicContact CD1-CG 4.37Å; L5-M9 HydrophobicContact CD1-SD 4.33Å; L5-M9 HydrophobicContact CG-SD 4.29Å; L5-M9 VanDerWaalsContact O-CB 3.3Å; L5-M9 WeakPolarHBondContact O-CB 3.45Å; L5-M9 WeakPolarHBondContact O-CG 3.42Å; L5-M9 PolarHBondContact O-N 3.2Å; E7-M9 VanDerWaalsContact C-N 3.35Å; E7-M9 PolarHBondContact O-N 3Å; M9-K13 WeakPolarHBondContact O-CD 3.31Å; M9-K13 WeakPolarHBondContact O-CE 3.26Å; M9-K13 WeakPolarHBondContact O-CG 3.2Å; M9-K13 PolarHBondContact O-N 2.61Å; M9-L43 HydrophobicContact CB-CD2 3.81Å; M9-L43 HydrophobicContact CE-CB 4.33Å; M9-L43 HydrophobicContact CE-CD2 4Å; M9-L43 HydrophobicContact CG-CD2 3.93Å; M9-L43 WeakPolarHBondContact O-CD2 3.29Å; M9-V46 HydrophobicContact CG-CG1 3.8Å; M9-Q47 VanDerWaalsContact CE-CD 3.49Å; M9-Q47 HydrophobicContact CE-CG 3.78Å; M9-Q47 HydrophobicContact SD-CG 3.64Å
10N76.2Confident77.8Confident69 Ų6948.4 Ų48.437%0.36927%0.273SS..Hα-helixtrans-77.7-34.1176.5-70.6-22.5000112.3V6 E7 A8 K13V6-N10 WeakPolarHBondContact O-CB 3.38Å; V6-N10 PolarHBondContact O-N 2.81Å; V6-N10 PolarHBondContact O-ND2 3.28Å; E7-N10 CarbonylContact O-C 3.52Å; E7-N10 WeakPolarHBondContact O-CA 3.47Å; E7-N10 WeakPolarHBondContact O-CB 3.48Å; E7-N10 PolarHBondContact O-N 3.15Å; A8-N10 VanDerWaalsContact C-N 3.27Å; A8-N10 PolarHBondContact O-N 3.47Å; N10-K13 PolarHBondContact O-N 3.13Å; N10-K13 PolarHBondContact OD1-NZ 2.89Å
11M86.8Confident78.5Confident14 Ų1447.3 Ų47.37%0.06927%0.265CS..Hα-helixtrans-59.1-51.1168.9-66.8174.3170.600111E7 A8 K13 S14 F15 V58 R59 Y62E7-M11 HydrophobicContact CG-CE 3.73Å; E7-M11 HydrophobicContact CG-SD 4.39Å; E7-M11 WeakPolarHBondContact O-CG 3.49Å; E7-M11 PolarHBondContact O-N 2.88Å; E7-M11 WeakPolarHBondContact OE1-CE 3.38Å; A8-M11 PolarHBondContact O-N 3.1Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 3.11Å; M11-S14 WeakPolarHBondContact O-CB 3.26Å; M11-S14 PolarHBondContact O-N 3Å; M11-S14 PolarHBondContact O-OG 2.84Å; M11-F15 VanDerWaalsContact O-CD1 3.27Å; M11-F15 WeakPolarHBondContact O-CD1 3.34Å; M11-F15 WeakPolarHBondContact O-CE1 3.12Å; M11-V58 HydrophobicContact CB-CG1 3.62Å; M11-V58 HydrophobicContact CG-CG1 4.43Å; M11-V58 HydrophobicContact SD-CG1 4.03Å; M11-R59 HydrophobicContact CE-CG 4.05Å; M11-R59 HydrophobicContact SD-CG 3.81Å; M11-Y62 HydrophobicContact CB-CD2 3.62Å; M11-Y62 HydrophobicContact CB-CE2 4.25Å; M11-Y62 HydrophobicContact CB-CG 3.98Å; M11-Y62 HydrophobicContact CE-CD1 3.86Å; M11-Y62 HydrophobicContact CE-CE1 4.25Å; M11-Y62 HydrophobicContact CE-CG 4.24Å; M11-Y62 HydrophobicContact CG-CD1 4.07Å; M11-Y62 HydrophobicContact CG-CD2 3.55Å; M11-Y62 HydrophobicContact CG-CE1 4.44Å; M11-Y62 HydrophobicContact CG-CE2 3.95Å; M11-Y62 HydrophobicContact CG-CG 3.6Å; M11-Y62 HydrophobicContact SD-CD1 4.3Å; M11-Y62 HydrophobicContact SD-CG 4.06Å
12V88.5Confident80.4Confident0 Ų043.3 Ų43.30%025%0.25CS..Hα-helixtrans-57.9-36.6176.7168.50000112.5A8 S14 F15 L20 L23 A42 L43 V46 V58A8-V12 WeakPolarHBondContact O-CG2 3.48Å; A8-V12 PolarHBondContact O-N 3.2Å; V12-S14 PolarHBondContact O-N 2.9Å; V12-S14 VanDerWaalsContact O-N 3.14Å; V12-F15 HydrophobicContact CG2-CE2 4.34Å; V12-F15 PolarHBondContact O-N 2.67Å; V12-L20 HydrophobicContact CG1-CD2 3.93Å; V12-L23 HydrophobicContact CG2-CD2 3.97Å; V12-A42 HydrophobicContact CG1-CB 3.55Å; V12-L43 HydrophobicContact CB-CD2 3.96Å; V12-L43 HydrophobicContact CG1-CD2 3.75Å; V12-L43 HydrophobicContact CG1-CG 4Å; V12-V46 HydrophobicContact CG2-CG2 4.26Å; V12-V58 HydrophobicContact CG2-CG1 4.02Å; V12-V58 HydrophobicContact CG2-CG2 3.88Å
13K83.6Confident82.2Confident80 Ų8039.7 Ų39.735%0.34822%0.221SC..THydrogen-bonded Turntrans-69.1-1.8174.5-69.5166.1-158.4164.30114.6M9 N10 M11 L43 K355M9-K13 WeakPolarHBondContact O-CD 3.31Å; M9-K13 WeakPolarHBondContact O-CE 3.26Å; M9-K13 WeakPolarHBondContact O-CG 3.2Å; M9-K13 PolarHBondContact O-N 2.61Å; N10-K13 PolarHBondContact O-N 3.13Å; N10-K13 PolarHBondContact OD1-NZ 2.89Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 3.11Å; K13-L43 HydrophobicContact CG-CD1 4.12Å; K13-L43 HydrophobicContact CG-CD2 4.26Å; K13-K355 PolarHBondContact O-NZ 2.93Å
14S80.7Confident84Confident7 Ų735.8 Ų35.85%0.04919%0.188CC..THydrogen-bonded Turntrans-102.4-15.8175.177.50000113.6M11 V12M11-S14 WeakPolarHBondContact O-CB 3.26Å; M11-S14 PolarHBondContact O-N 3Å; M11-S14 PolarHBondContact O-OG 2.84Å; V12-S14 PolarHBondContact O-N 2.9Å; V12-S14 VanDerWaalsContact O-N 3.14Å
15F86.6Confident84.9Confident1 Ų135.4 Ų35.40%0.00420%0.196CC..  trans-68.7157.3-171.4-68.8-2.2000113.7M11 V12 D19 L20 L23 K35 V58 L61 Y62M11-F15 VanDerWaalsContact O-CD1 3.27Å; M11-F15 WeakPolarHBondContact O-CD1 3.34Å; M11-F15 WeakPolarHBondContact O-CE1 3.12Å; V12-F15 HydrophobicContact CG2-CE2 4.34Å; V12-F15 PolarHBondContact O-N 2.67Å; F15-D19 WeakPolarHBondContact CA-OD2 3.42Å; F15-D19 HydrophobicContact CB-CB 4.19Å; F15-D19 WeakPolarHBondContact CB-OD2 3.47Å; F15-D19 HydrophobicContact CD2-CB 4.14Å; F15-D19 HydrophobicContact CG-CB 4.12Å; F15-L20 HydrophobicContact CB-CD1 4.48Å; F15-L20 HydrophobicContact CB-CD2 4Å; F15-L20 HydrophobicContact CB-CG 3.78Å; F15-L20 HydrophobicContact CD2-CD2 4.16Å; F15-L23 HydrophobicContact CE2-CD2 4.15Å; F15-K35 WeakPolarHBondContact O-CE 3.2Å; F15-K35 PolarHBondContact O-NZ 2.84Å; F15-V58 HydrophobicContact CZ-CG1 4.26Å; F15-L61 HydrophobicContact CE1-CB 4.31Å; F15-L61 HydrophobicContact CE2-CB 4.07Å; F15-L61 HydrophobicContact CE2-CD1 4.18Å; F15-L61 HydrophobicContact CZ-CB 3.68Å; F15-Y62 HydrophobicContact CE1-CD2 4.23Å
16R84Confident85.9Confident55 Ų5536.4 Ų36.421%0.20821%0.207CC..  trans-83.5175.4166.7-66.1-175.1-170.2121.510.7110.1D19 L20 D290R16-D19 PolarHBondContact N-OD2 3.35Å; R16-L20 VanDerWaalsContact O-CD1 3.27Å; R16-L20 WeakPolarHBondContact O-CD1 3.49Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 2.9Å; R16-L20 VanDerWaalsContact O-N 3.17Å; R16-D290 VanDerWaalsContact CZ-C 3.45Å; R16-D290 IonicContact CZ-OD2 3.35Å; R16-D290 PolarHBondContact NE-O 2.95Å; R16-D290 PolarHBondContact NH1-O 2.89Å; R16-D290 IonicContact NH1-OD1 3.95Å; R16-D290 PolarHBondContact NH1-OD1 2.9Å; R16-D290 IonicContact NH1-OD2 3.43Å; R16-D290 PolarHBondContact NH1-OD2 3.43Å; R16-D290 VanDerWaalsContact NH2-C 3.25Å; R16-D290 VanDerWaalsContact NH2-CG 3.32Å; R16-D290 PolarHBondContact NH2-O 2.66Å; R16-D290 VanDerWaalsContact NH2-O 3.14Å; R16-D290 IonicContact NH2-OD2 3.93Å; R16-D290 PolarHBondContact NH2-OD2 3.3Å
17V82.6Confident86.9Confident50 Ų5034 Ų3430%0.30319%0.19SC..Hα-helixtrans-58.2-52.6175169.20000109.8D19 L20 Q21 K35 L38V17-D19 PolarHBondContact O-N 3Å; V17-L20 WeakPolarHBondContact O-CB 3.43Å; V17-L20 PolarHBondContact O-N 3.42Å; V17-L20 VanDerWaalsContact O-N 3.15Å; V17-Q21 HydrophobicContact CG1-CG 4.22Å; V17-Q21 VanDerWaalsContact O-CG 3.26Å; V17-Q21 WeakPolarHBondContact O-CG 3.27Å; V17-Q21 PolarHBondContact O-N 3.12Å; V17-K35 HydrophobicContact CG2-CB 3.84Å; V17-K35 HydrophobicContact CG2-CD 4.34Å; V17-K35 HydrophobicContact CG2-CG 4.09Å; V17-L38 HydrophobicContact CB-CD1 4.49Å; V17-L38 HydrophobicContact CG1-CD1 3.84Å; V17-L38 HydrophobicContact CG2-CD1 4.5Å
18S85.6Confident87.5Confident39 Ų3933.1 Ų33.127%0.27321%0.206SC..Hα-helixtrans-51.7-54.1175.946.20000114.7L20 Q21 T22 D295S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 2.96Å; S18-Q21 CarbonylContact O-C 3.6Å; S18-Q21 WeakPolarHBondContact O-CB 3.49Å; S18-Q21 PolarHBondContact O-N 2.94Å; S18-Q21 VanDerWaalsContact O-N 3.1Å; S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 3.13Å; S18-D295 WeakPolarHBondContact CB-OD2 3.28Å
19D90.6Very high88Confident17 Ų1737.8 Ų37.89%0.09122%0.223CC..Hα-helixtrans-65.6-31178.93-61.7000113.4F15 R16 V17 L23 R65F15-D19 WeakPolarHBondContact CA-OD2 3.42Å; F15-D19 HydrophobicContact CB-CB 4.19Å; F15-D19 WeakPolarHBondContact CB-OD2 3.47Å; F15-D19 HydrophobicContact CD2-CB 4.14Å; F15-D19 HydrophobicContact CG-CB 4.12Å; R16-D19 PolarHBondContact N-OD2 3.35Å; V17-D19 PolarHBondContact O-N 3Å; D19-L23 VanDerWaalsContact O-CB 3.32Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 2.81Å; D19-R65 VanDerWaalsContact CG-NH2 3.3Å; D19-R65 IonicContact OD1-CZ 2.7Å; D19-R65 IonicContact OD1-NH1 3.88Å; D19-R65 IonicContact OD1-NH2 2.71Å; D19-R65 PolarHBondContact OD1-NH2 2.78Å; D19-R65 IonicContact OD2-CZ 2.74Å; D19-R65 IonicContact OD2-NH1 3.8Å; D19-R65 PolarHBondContact OD2-NH1 3.47Å; D19-R65 IonicContact OD2-NH2 3.15Å; D19-R65 PolarHBondContact OD2-NH2 3.41Å; D19-R65 VanDerWaalsContact OD2-NH2 3.17Å
20L91.6Very high88.6Confident0 Ų039.7 Ų39.70%024%0.239CC..Hα-helixtrans-67.7-39.4171.4-67.6161.6000111.5V12 F15 R16 V17 S18 L23 L24 K35 L38 V39 A42V12-L20 HydrophobicContact CG1-CD2 3.93Å; F15-L20 HydrophobicContact CB-CD1 4.48Å; F15-L20 HydrophobicContact CB-CD2 4Å; F15-L20 HydrophobicContact CB-CG 3.78Å; F15-L20 HydrophobicContact CD2-CD2 4.16Å; R16-L20 VanDerWaalsContact O-CD1 3.27Å; R16-L20 WeakPolarHBondContact O-CD1 3.49Å; R16-L20 WeakPolarHBondContact O-CG 3.48Å; R16-L20 PolarHBondContact O-N 2.9Å; R16-L20 VanDerWaalsContact O-N 3.17Å; V17-L20 WeakPolarHBondContact O-CB 3.43Å; V17-L20 PolarHBondContact O-N 3.42Å; V17-L20 VanDerWaalsContact O-N 3.15Å; S18-L20 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 2.96Å; L20-L23 PolarHBondContact O-N 3.1Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.33Å; L20-K35 HydrophobicContact CD1-CG 4.16Å; L20-L38 HydrophobicContact CB-CB 3.97Å; L20-L38 HydrophobicContact CD1-CB 3.98Å; L20-V39 HydrophobicContact CD1-CG2 3.48Å; L20-V39 VanDerWaalsContact CD1-CG2 3.48Å; L20-V39 HydrophobicContact CD2-CG2 4.14Å; L20-V39 HydrophobicContact CG-CG2 4.47Å; L20-A42 HydrophobicContact CD2-CB 3.84Å
21Q91.1Very high89.4Confident25 Ų2540.7 Ų40.712%0.11724%0.239CC..Hα-helixtrans-66.1-41.8174.8-69.2172.9-46.800111.4V17 S18 L24 A25 K31 L38V17-Q21 HydrophobicContact CG1-CG 4.22Å; V17-Q21 VanDerWaalsContact O-CG 3.26Å; V17-Q21 WeakPolarHBondContact O-CG 3.27Å; V17-Q21 PolarHBondContact O-N 3.12Å; S18-Q21 CarbonylContact O-C 3.6Å; S18-Q21 WeakPolarHBondContact O-CB 3.49Å; S18-Q21 PolarHBondContact O-N 2.94Å; S18-Q21 VanDerWaalsContact O-N 3.1Å; Q21-L24 PolarHBondContact O-N 3Å; Q21-A25 WeakPolarHBondContact O-CB 3.32Å; Q21-A25 PolarHBondContact O-N 3.15Å; Q21-K31 HydrophobicContact CB-CB 4.03Å; Q21-K31 HydrophobicContact CG-CB 4.02Å; Q21-K31 WeakPolarHBondContact CG-O 3.37Å; Q21-K31 PolarHBondContact NE2-O 3.4Å; Q21-L38 HydrophobicContact CG-CD1 4.09Å; Q21-L38 HydrophobicContact CG-CD2 4.32Å
22T93.1Very high89.3Confident78 Ų7843.9 Ų43.948%0.47926%0.263SS..Hα-helixtrans-60.4-47173.7-55.10000111.3S18 A25 S26 L61S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 3.13Å; T22-A25 PolarHBondContact O-N 3.48Å; T22-S26 PolarHBondContact O-N 3.37Å; T22-S26 PolarHBondContact O-OG 2.62Å; T22-L61 HydrophobicContact CG2-CD2 4.23Å
23L94.4Very high89.2Confident0 Ų046.1 Ų46.10%029%0.287CS..Hα-helixtrans-64.3-41.2177.4-17869.4000112.7V12 F15 D19 L20 S26 M27 A42 L54 N57 V58 L61V12-L23 HydrophobicContact CG2-CD2 3.97Å; F15-L23 HydrophobicContact CE2-CD2 4.15Å; D19-L23 VanDerWaalsContact O-CB 3.32Å; D19-L23 WeakPolarHBondContact O-CB 3.47Å; D19-L23 PolarHBondContact O-N 2.81Å; L20-L23 PolarHBondContact O-N 3.1Å; L23-S26 PolarHBondContact O-OG 2.85Å; L23-S26 VanDerWaalsContact O-OG 3.12Å; L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.49Å; L23-M27 PolarHBondContact O-N 3.03Å; L23-A42 HydrophobicContact CD2-CB 4.05Å; L23-L54 HydrophobicContact CD1-CD1 3.91Å; L23-L54 HydrophobicContact CG-CD1 4.44Å; L23-N57 HydrophobicContact CD1-CB 4.07Å; L23-V58 HydrophobicContact CD1-CG2 3.74Å; L23-V58 HydrophobicContact CD2-CG2 3.83Å; L23-V58 HydrophobicContact CG-CG2 4.45Å; L23-L61 HydrophobicContact CB-CD1 3.95Å; L23-L61 HydrophobicContact CD1-CD1 4.28Å
24L93.9Very high89Confident1 Ų148.7 Ų48.71%0.00530%0.303CS..Hα-helixtrans-71.3-39.8178.8-72.3168000111L20 Q21 M27 G28 R29 L38 R41 A42 L45L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 WeakPolarHBondContact O-CD1 3.35Å; L20-L24 WeakPolarHBondContact O-CG 3.3Å; L20-L24 PolarHBondContact O-N 3.33Å; Q21-L24 PolarHBondContact O-N 3Å; L24-M27 CarbonylContact O-C 3.54Å; L24-M27 PolarHBondContact O-N 3.46Å; L24-G28 PolarHBondContact O-N 3.44Å; L24-R29 CarbonylContact C-O 3.58Å; L24-R29 HydrophobicContact CB-CB 4.11Å; L24-R29 HydrophobicContact CD2-CB 3.81Å; L24-R29 HydrophobicContact CD2-CG 4.34Å; L24-R29 PolarHBondContact O-N 3.1Å; L24-L38 HydrophobicContact CD1-CB 4.31Å; L24-L38 HydrophobicContact CD1-CD2 3.6Å; L24-R41 HydrophobicContact CD1-CB 4.17Å; L24-R41 HydrophobicContact CD2-CB 3.89Å; L24-A42 HydrophobicContact CD2-CB 4.44Å; L24-L45 HydrophobicContact CD2-CD2 4.47Å
25A92.6Very high89Confident57 Ų5752.6 Ų52.647%0.47132%0.319SS..Hα-helixtrans-64.2-43.3176.700000112.6Q21 T22 M27 G28Q21-A25 WeakPolarHBondContact O-CB 3.32Å; Q21-A25 PolarHBondContact O-N 3.15Å; T22-A25 PolarHBondContact O-N 3.48Å; A25-M27 PolarHBondContact O-N 3.36Å; A25-M27 VanDerWaalsContact O-N 3.15Å; A25-G28 PolarHBondContact O-N 2.83Å; A25-G28 VanDerWaalsContact O-N 3.1Å
26S92.6Very high88.8Confident68 Ų6860.8 Ų60.848%0.47636%0.358SS..Hα-helixtrans-64.9-16.9176.467.90000113.5T22 L23T22-S26 PolarHBondContact O-N 3.37Å; T22-S26 PolarHBondContact O-OG 2.62Å; L23-S26 PolarHBondContact O-OG 2.85Å; L23-S26 VanDerWaalsContact O-OG 3.12Å
27M93.2Very high89Confident32 Ų3262 Ų6216%0.15837%0.368CS..THydrogen-bonded Turntrans-108.817177.6-60.1-67.6-55.700113.1L23 L24 A25 R29 L45 E49 L54L23-M27 VanDerWaalsContact O-CG 3.28Å; L23-M27 WeakPolarHBondContact O-CG 3.49Å; L23-M27 PolarHBondContact O-N 3.03Å; L24-M27 CarbonylContact O-C 3.54Å; L24-M27 PolarHBondContact O-N 3.46Å; A25-M27 PolarHBondContact O-N 3.36Å; A25-M27 VanDerWaalsContact O-N 3.15Å; M27-R29 VanDerWaalsContact C-N 3.29Å; M27-R29 WeakPolarHBondContact O-CG 3.38Å; M27-R29 PolarHBondContact O-N 3.22Å; M27-R29 PolarHBondContact O-NH1 3.34Å; M27-L45 HydrophobicContact CB-CD2 3.65Å; M27-L45 HydrophobicContact CE-CD2 4.35Å; M27-L45 HydrophobicContact CG-CD2 3.8Å; M27-E49 WeakPolarHBondContact CE-OE2 3.27Å; M27-L54 HydrophobicContact CE-CB 3.98Å; M27-L54 HydrophobicContact CE-CD1 4.22Å; M27-L54 HydrophobicContact CE-CD2 4.41Å; M27-L54 HydrophobicContact CE-CG 4.44Å; M27-L54 HydrophobicContact CG-CD1 3.91Å; M27-L54 HydrophobicContact SD-CB 4.09Å; M27-L54 HydrophobicContact SD-CD1 4.04Å
28G90.6Very high89.3Confident72 Ų7259.6 Ų59.674%0.74235%0.354SS*.THydrogen-bonded Turntrans65.323.8175.500000115L24 A25L24-G28 PolarHBondContact O-N 3.44Å; A25-G28 PolarHBondContact O-N 2.83Å; A25-G28 VanDerWaalsContact O-N 3.1Å
29R90.6Very high89.4Confident103 Ų10359.2 Ų59.239%0.38935%0.35SS..  trans-106.1152.4-177.6-58.2-40-153.3-803.7112.3L24 M27 K31 L45 E49L24-R29 CarbonylContact C-O 3.58Å; L24-R29 HydrophobicContact CB-CB 4.11Å; L24-R29 HydrophobicContact CD2-CB 3.81Å; L24-R29 HydrophobicContact CD2-CG 4.34Å; L24-R29 PolarHBondContact O-N 3.1Å; M27-R29 VanDerWaalsContact C-N 3.29Å; M27-R29 WeakPolarHBondContact O-CG 3.38Å; M27-R29 PolarHBondContact O-N 3.22Å; M27-R29 PolarHBondContact O-NH1 3.34Å; R29-K31 PolarHBondContact O-N 3.45Å; R29-L45 HydrophobicContact CG-CD1 4.16Å; R29-L45 VanDerWaalsContact CZ-CD1 3.47Å; R29-E49 IonicContact CZ-OE1 3.26Å; R29-E49 VanDerWaalsContact CZ-OE1 3.26Å; R29-E49 IonicContact NH1-OE1 2.97Å; R29-E49 PolarHBondContact NH1-OE1 3.45Å; R29-E49 IonicContact NH1-OE2 3.69Å; R29-E49 IonicContact NH2-OE1 2.65Å; R29-E49 PolarHBondContact NH2-OE1 2.96Å
30S92Very high89.3Confident66 Ų6659.5 Ų59.546%0.46236%0.357SS..  trans-57133179.1172.50000112.1S32 R41S30-S32 PolarHBondContact OG-N 2.86Å; S30-S32 PolarHBondContact OG-OG 3.35Å; S30-R41 PolarHBondContact O-NH1 3.17Å
31K92.5Very high89.4Confident89 Ų8962.4 Ų62.439%0.38737%0.368SS..  trans-99.3-2.4179.971.8165.3-171.1166.20115.2Q21 R29 E297Q21-K31 HydrophobicContact CB-CB 4.03Å; Q21-K31 HydrophobicContact CG-CB 4.02Å; Q21-K31 WeakPolarHBondContact CG-O 3.37Å; Q21-K31 PolarHBondContact NE2-O 3.4Å; R29-K31 PolarHBondContact O-N 3.45Å; K31-E297 WeakPolarHBondContact CE-OE2 3.27Å; K31-E297 IonicContact NZ-OE1 3.7Å; K31-E297 PolarHBondContact NZ-OE1 3.49Å; K31-E297 IonicContact NZ-OE2 2.61Å; K31-E297 PolarHBondContact NZ-OE2 3.34Å
32S85.8Confident89.5Confident82 Ų8261.2 Ų61.257%0.57336%0.362SS*.  trans-88.7154.5178.755.40000112.2S30 R41S30-S32 PolarHBondContact OG-N 2.86Å; S30-S32 PolarHBondContact OG-OG 3.35Å; S32-R41 PolarHBondContact O-NH1 2.68Å; S32-R41 PolarHBondContact O-NH2 3.34Å
33G84.9Confident89.4Confident47 Ų4758.8 Ų58.849%0.48535%0.346SS..SBendtrans114.9172.8178.500000113.8L38G33-L38 WeakPolarHBondContact O-CD1 3.19Å
34L79.5Confident89.2Confident134 Ų13466.6 Ų66.670%0.70238%0.375SS*.  trans-72.9163.1-174.4-62174.8000111.5Q36 D37 L38L34-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 VanDerWaalsContact O-N 3.13Å; L34-D37 WeakPolarHBondContact CB-OD2 3.47Å; L34-D37 PolarHBondContact N-OD2 2.92Å; L34-D37 WeakPolarHBondContact O-CB 3.37Å; L34-D37 PolarHBondContact O-N 2.8Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.93Å
35K81.6Confident89Confident89 Ų8966.9 Ų66.939%0.38738%0.377SS..Hα-helixtrans-53.7-37.8179.8-171.9174.5-177.9176.10112.9F15 V17 L20 L38 V39F15-K35 WeakPolarHBondContact O-CE 3.2Å; F15-K35 PolarHBondContact O-NZ 2.84Å; V17-K35 HydrophobicContact CG2-CB 3.84Å; V17-K35 HydrophobicContact CG2-CD 4.34Å; V17-K35 HydrophobicContact CG2-CG 4.09Å; L20-K35 HydrophobicContact CD1-CG 4.16Å; K35-L38 PolarHBondContact O-N 3.35Å; K35-V39 HydrophobicContact CG-CG2 4.38Å; K35-V39 WeakPolarHBondContact O-CB 3.35Å; K35-V39 VanDerWaalsContact O-CG2 3.32Å; K35-V39 WeakPolarHBondContact O-CG2 3.15Å; K35-V39 PolarHBondContact O-N 3.41Å
36Q81.9Confident88.9Confident172 Ų17264.2 Ų64.280%0.80435%0.354SS*.Hα-helixtrans-66.2-38.7177.5-65-1676.200112.1L34 G40L34-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 VanDerWaalsContact O-N 3.13Å; Q36-G40 PolarHBondContact O-N 2.92Å
37D88.3Confident88.6Confident81 Ų8166 Ų6643%0.43336%0.355SS..Hα-helixtrans-68.5-36.9176.6-50.2-47.9000112L34 R41L34-D37 WeakPolarHBondContact CB-OD2 3.47Å; L34-D37 PolarHBondContact N-OD2 2.92Å; L34-D37 WeakPolarHBondContact O-CB 3.37Å; L34-D37 PolarHBondContact O-N 2.8Å; D37-R41 VanDerWaalsContact CB-NH2 3.26Å; D37-R41 WeakPolarHBondContact O-CB 3.3Å; D37-R41 WeakPolarHBondContact O-CG 3.36Å; D37-R41 PolarHBondContact O-N 3.28Å; D37-R41 PolarHBondContact O-NE 3Å
38L88.6Confident88.2Confident0 Ų069.8 Ų69.80%038%0.381CS..Hα-helixtrans-69.3-46.4177.5-67168.3000110.7V17 L20 Q21 L24 G33 L34 K35 G40 R41 A42V17-L38 HydrophobicContact CB-CD1 4.49Å; V17-L38 HydrophobicContact CG1-CD1 3.84Å; V17-L38 HydrophobicContact CG2-CD1 4.5Å; L20-L38 HydrophobicContact CB-CB 3.97Å; L20-L38 HydrophobicContact CD1-CB 3.98Å; Q21-L38 HydrophobicContact CG-CD1 4.09Å; Q21-L38 HydrophobicContact CG-CD2 4.32Å; L24-L38 HydrophobicContact CD1-CB 4.31Å; L24-L38 HydrophobicContact CD1-CD2 3.6Å; G33-L38 WeakPolarHBondContact O-CD1 3.19Å; L34-L38 WeakPolarHBondContact O-CG 3.45Å; L34-L38 PolarHBondContact O-N 2.93Å; K35-L38 PolarHBondContact O-N 3.35Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-G40 PolarHBondContact O-N 3.47Å; L38-R41 PolarHBondContact O-N 2.95Å; L38-A42 WeakPolarHBondContact O-CB 3.41Å; L38-A42 PolarHBondContact O-N 2.72Å
39V88.6Confident87.9Confident30 Ų3070.1 Ų70.118%0.18236%0.363CS..Hα-helixtrans-59.8-45.2170.6172.20000110.6L20 K35 R41 A42 L43L20-V39 HydrophobicContact CD1-CG2 3.48Å; L20-V39 VanDerWaalsContact CD1-CG2 3.48Å; L20-V39 HydrophobicContact CD2-CG2 4.14Å; L20-V39 HydrophobicContact CG-CG2 4.47Å; K35-V39 HydrophobicContact CG-CG2 4.38Å; K35-V39 WeakPolarHBondContact O-CB 3.35Å; K35-V39 VanDerWaalsContact O-CG2 3.32Å; K35-V39 WeakPolarHBondContact O-CG2 3.15Å; K35-V39 PolarHBondContact O-N 3.41Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 3.19Å; V39-A42 PolarHBondContact O-N 3.04Å; V39-L43 HydrophobicContact CG1-CD1 3.62Å; V39-L43 HydrophobicContact CG1-CG 4Å; V39-L43 WeakPolarHBondContact O-CB 3.32Å; V39-L43 VanDerWaalsContact O-CG 3.3Å; V39-L43 WeakPolarHBondContact O-CG 3.22Å; V39-L43 PolarHBondContact O-N 3.46Å
40G87.9Confident87.5Confident23 Ų2367.7 Ų67.724%0.23735%0.354CS..Hα-helixtrans-66.5-25.3-179.100000114.4Q36 L38 R44Q36-G40 PolarHBondContact O-N 2.92Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-G40 PolarHBondContact O-N 3.47Å; G40-R44 WeakPolarHBondContact O-CB 3.22Å; G40-R44 WeakPolarHBondContact O-CG 2.98Å; G40-R44 PolarHBondContact O-NE 3.4Å
41R94.6Very high87.2Confident62 Ų6266.2 Ų66.223%0.23434%0.344CS..Hα-helixtrans-78.5-50.2168.1-83.8170-77-175.1-17111.7L24 S30 S32 D37 L38 V39 L43 R44 L45L24-R41 HydrophobicContact CD1-CB 4.17Å; L24-R41 HydrophobicContact CD2-CB 3.89Å; S30-R41 PolarHBondContact O-NH1 3.17Å; S32-R41 PolarHBondContact O-NH1 2.68Å; S32-R41 PolarHBondContact O-NH2 3.34Å; D37-R41 VanDerWaalsContact CB-NH2 3.26Å; D37-R41 WeakPolarHBondContact O-CB 3.3Å; D37-R41 WeakPolarHBondContact O-CG 3.36Å; D37-R41 PolarHBondContact O-N 3.28Å; D37-R41 PolarHBondContact O-NE 3Å; L38-R41 PolarHBondContact O-N 2.95Å; V39-R41 VanDerWaalsContact C-N 3.29Å; V39-R41 PolarHBondContact O-N 3.19Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.18Å; R41-R44 PolarHBondContact O-N 2.91Å; R41-L45 WeakPolarHBondContact O-CB 3.45Å; R41-L45 PolarHBondContact O-N 3.26Å
42A93Very high86.8Confident0 Ų067.2 Ų67.20%036%0.359CS..Hα-helixtrans-62.3-38.6-177.900000112.5V12 L20 L23 L24 L38 V39 L45 V46V12-A42 HydrophobicContact CG1-CB 3.55Å; L20-A42 HydrophobicContact CD2-CB 3.84Å; L23-A42 HydrophobicContact CD2-CB 4.05Å; L24-A42 HydrophobicContact CD2-CB 4.44Å; L38-A42 WeakPolarHBondContact O-CB 3.41Å; L38-A42 PolarHBondContact O-N 2.72Å; V39-A42 PolarHBondContact O-N 3.04Å; A42-L45 PolarHBondContact O-N 2.9Å; A42-V46 WeakPolarHBondContact O-CG2 3.27Å; A42-V46 PolarHBondContact O-N 3.34Å
43L90.4Very high86.9Confident26 Ų2667.7 Ų67.714%0.13635%0.352CS..Hα-helixtrans-66.6-44.6173.5-70179.6000112.2M9 V12 K13 V39 R41 L45 V46 Q47M9-L43 HydrophobicContact CB-CD2 3.81Å; M9-L43 HydrophobicContact CE-CB 4.33Å; M9-L43 HydrophobicContact CE-CD2 4Å; M9-L43 HydrophobicContact CG-CD2 3.93Å; M9-L43 WeakPolarHBondContact O-CD2 3.29Å; V12-L43 HydrophobicContact CB-CD2 3.96Å; V12-L43 HydrophobicContact CG1-CD2 3.75Å; V12-L43 HydrophobicContact CG1-CG 4Å; K13-L43 HydrophobicContact CG-CD1 4.12Å; K13-L43 HydrophobicContact CG-CD2 4.26Å; V39-L43 HydrophobicContact CG1-CD1 3.62Å; V39-L43 HydrophobicContact CG1-CG 4Å; V39-L43 WeakPolarHBondContact O-CB 3.32Å; V39-L43 VanDerWaalsContact O-CG 3.3Å; V39-L43 WeakPolarHBondContact O-CG 3.22Å; V39-L43 PolarHBondContact O-N 3.46Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-L43 PolarHBondContact O-N 3.18Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.17Å; L43-V46 PolarHBondContact O-N 2.72Å; L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.48Å; L43-Q47 PolarHBondContact O-N 3.26Å; L43-Q47 PolarHBondContact O-OE1 2.75Å
44R89.8Confident87.2Confident165 Ų16565.5 Ų65.562%0.62333%0.329SS*.Hα-helixtrans-58.7-45174-88-175.2-87.6-170.3-10.2111.2G40 R41 V46 Q47 T48G40-R44 WeakPolarHBondContact O-CB 3.22Å; G40-R44 WeakPolarHBondContact O-CG 2.98Å; G40-R44 PolarHBondContact O-NE 3.4Å; R41-R44 PolarHBondContact O-N 2.91Å; R44-V46 PolarHBondContact O-N 3.45Å; R44-Q47 CarbonylContact O-C 3.4Å; R44-Q47 WeakPolarHBondContact O-CB 3.35Å; R44-Q47 PolarHBondContact O-N 3.3Å; R44-Q47 VanDerWaalsContact O-N 3.1Å; R44-T48 WeakPolarHBondContact O-CG2 3.13Å; R44-T48 PolarHBondContact O-N 2.87Å; R44-T48 PolarHBondContact O-OG1 3.43Å
45L90.8Very high87.6Confident7 Ų759.4 Ų59.44%0.03730%0.298CS..Hα-helixtrans-57.6-47.9177.9-165.773.7000112.2L24 M27 R29 R41 A42 L43 Q47 T48 E49 L54L24-L45 HydrophobicContact CD2-CD2 4.47Å; M27-L45 HydrophobicContact CB-CD2 3.65Å; M27-L45 HydrophobicContact CE-CD2 4.35Å; M27-L45 HydrophobicContact CG-CD2 3.8Å; R29-L45 HydrophobicContact CG-CD1 4.16Å; R29-L45 VanDerWaalsContact CZ-CD1 3.47Å; R41-L45 WeakPolarHBondContact O-CB 3.45Å; R41-L45 PolarHBondContact O-N 3.26Å; A42-L45 PolarHBondContact O-N 2.9Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 3.17Å; L45-Q47 VanDerWaalsContact C-N 3.29Å; L45-Q47 PolarHBondContact O-N 3.49Å; L45-T48 PolarHBondContact O-N 2.98Å; L45-E49 VanDerWaalsContact CD1-CD 3.48Å; L45-E49 HydrophobicContact CD1-CG 4.09Å; L45-E49 VanDerWaalsContact CD1-OE2 3.26Å; L45-E49 WeakPolarHBondContact CD1-OE2 3.43Å; L45-E49 PolarHBondContact O-N 2.78Å; L45-L54 HydrophobicContact CD2-CD1 3.93Å; L45-L54 HydrophobicContact CD2-CD2 4.35Å; L45-L54 HydrophobicContact CG-CD1 4.5Å; L45-L54 HydrophobicContact CG-CD2 4.04Å
46V90.1Very high88.1Confident0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-62.9-34175.71670000112.2L5 A8 M9 V12 A42 L43 R44 L54 V58L5-V46 HydrophobicContact CD1-CG1 3.76Å; L5-V46 VanDerWaalsContact CD1-O 3.29Å; L5-V46 WeakPolarHBondContact CD1-O 3.04Å; A8-V46 HydrophobicContact CB-CG1 4.08Å; M9-V46 HydrophobicContact CG-CG1 3.8Å; V12-V46 HydrophobicContact CG2-CG2 4.26Å; A42-V46 WeakPolarHBondContact O-CG2 3.27Å; A42-V46 PolarHBondContact O-N 3.34Å; L43-V46 PolarHBondContact O-N 2.72Å; R44-V46 PolarHBondContact O-N 3.45Å; V46-L54 HydrophobicContact CB-CD2 4.48Å; V46-L54 HydrophobicContact CG2-CD1 4.31Å; V46-L54 HydrophobicContact CG2-CD2 3.93Å; V46-L54 HydrophobicContact CG2-CG 4.12Å; V46-V58 HydrophobicContact CG2-CG2 4.26Å
47Q85.7Confident88.5Confident106 Ų10653.3 Ų53.350%0.49527%0.27SS..Hα-helixtrans-76.7-33.4176.3-71.8175.4-57.600114.2M9 L43 R44 L45M9-Q47 VanDerWaalsContact CE-CD 3.49Å; M9-Q47 HydrophobicContact CE-CG 3.78Å; M9-Q47 HydrophobicContact SD-CG 3.64Å; L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 VanDerWaalsContact O-CG 3.27Å; L43-Q47 WeakPolarHBondContact O-CG 3.48Å; L43-Q47 PolarHBondContact O-N 3.26Å; L43-Q47 PolarHBondContact O-OE1 2.75Å; R44-Q47 CarbonylContact O-C 3.4Å; R44-Q47 WeakPolarHBondContact O-CB 3.35Å; R44-Q47 PolarHBondContact O-N 3.3Å; R44-Q47 VanDerWaalsContact O-N 3.1Å; L45-Q47 VanDerWaalsContact C-N 3.29Å; L45-Q47 PolarHBondContact O-N 3.49Å
48T84.9Confident88.7Confident112 Ų11249.5 Ų49.569%0.68725%0.249SC*.Hα-helixtrans-99.9-34.2-171.959.30000114.6R44 L45R44-T48 WeakPolarHBondContact O-CG2 3.13Å; R44-T48 PolarHBondContact O-N 2.87Å; R44-T48 PolarHBondContact O-OG1 3.43Å; L45-T48 PolarHBondContact O-N 2.98Å
49E83.9Confident88.7Confident78 Ų7852.7 Ų52.736%0.36426%0.262SS..THydrogen-bonded Turntrans-98-35.3-179.2-66.4-170.7162.700112.9M27 R29 L45 S51M27-E49 WeakPolarHBondContact CE-OE2 3.27Å; R29-E49 IonicContact CZ-OE1 3.26Å; R29-E49 VanDerWaalsContact CZ-OE1 3.26Å; R29-E49 IonicContact NH1-OE1 2.97Å; R29-E49 PolarHBondContact NH1-OE1 3.45Å; R29-E49 IonicContact NH1-OE2 3.69Å; R29-E49 IonicContact NH2-OE1 2.65Å; R29-E49 PolarHBondContact NH2-OE1 2.96Å; L45-E49 VanDerWaalsContact CD1-CD 3.48Å; L45-E49 HydrophobicContact CD1-CG 4.09Å; L45-E49 VanDerWaalsContact CD1-OE2 3.26Å; L45-E49 WeakPolarHBondContact CD1-OE2 3.43Å; L45-E49 PolarHBondContact O-N 2.78Å; E49-S51 PolarHBondContact O-N 2.9Å
50Y81.9Confident88.7Confident53 Ų5357 Ų5721%0.20828%0.279CS..  trans41.438177.8-166.4-102.1000114.8M1 E4 L5 L55M1-Y50 WeakPolarHBondContact CA-OH 3.42Å; M1-Y50 HydrophobicContact CB-CE1 4.48Å; M1-Y50 HydrophobicContact CG-CE1 4.03Å; M1-Y50 PolarHBondContact N-OH 3.39Å; M1-Y50 VanDerWaalsContact N-OH 3.14Å; M1-Y50 PolarHBondContact O-OH 3.33Å; M1-Y50 HydrophobicContact SD-CE1 4.49Å; E4-Y50 VanDerWaalsContact CB-OH 3.27Å; E4-Y50 WeakPolarHBondContact CB-OH 3.44Å; E4-Y50 PolarHBondContact OE2-OH 3.23Å; L5-Y50 HydrophobicContact CB-CD2 4.2Å; L5-Y50 HydrophobicContact CB-CE2 3.71Å; L5-Y50 HydrophobicContact CD1-CD2 3.71Å; L5-Y50 HydrophobicContact CD1-CE2 4.08Å; L5-Y50 HydrophobicContact CG-CE2 4.48Å; Y50-L55 HydrophobicContact CD1-CD1 4.41Å; Y50-L55 HydrophobicContact CD2-CD1 4.1Å; Y50-L55 HydrophobicContact CD2-CD2 4.17Å; Y50-L55 HydrophobicContact CE1-CD1 3.94Å; Y50-L55 HydrophobicContact CE2-CD1 3.64Å; Y50-L55 HydrophobicContact CE2-CD2 3.88Å; Y50-L55 HydrophobicContact CE2-CG 4.33Å; Y50-L55 HydrophobicContact CG-CD1 4.45Å
51S86.6Confident88.7Confident35 Ų3557.6 Ų57.625%0.24528%0.277CS..  trans-79.2148.9-173.177.60000112.4E49 E53 L54 L55E49-S51 PolarHBondContact O-N 2.9Å; S51-E53 VanDerWaalsContact C-N 3.25Å; S51-E53 PolarHBondContact O-N 3.26Å; S51-L54 WeakPolarHBondContact O-CB 3.27Å; S51-L54 PolarHBondContact O-N 3.14Å; S51-L54 WeakPolarHBondContact OG-CB 3.19Å; S51-L54 PolarHBondContact OG-N 3.28Å; S51-L55 WeakPolarHBondContact O-CG 3.35Å; S51-L55 PolarHBondContact O-N 2.92Å
52P84.4Confident88.2Confident109 Ų10956.5 Ų56.571%0.70827%0.273SS*.Hα-helixtrans-57.6-36.9178.1-27.135.6000113.5L55 K56P52-L55 PolarHBondContact O-N 2.71Å; P52-K56 VanDerWaalsContact O-CB 3.3Å; P52-K56 WeakPolarHBondContact O-CB 3.48Å; P52-K56 PolarHBondContact O-N 2.92Å
53E88.3Confident87.7Confident93 Ų9359.9 Ų59.944%0.43529%0.289SS..Hα-helixtrans-72.4-36.4179-16859.5-155.300111.9S51 K56 N57S51-E53 VanDerWaalsContact C-N 3.25Å; S51-E53 PolarHBondContact O-N 3.26Å; E53-K56 PolarHBondContact O-N 3.46Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 2.96Å; E53-K56 IonicContact OE2-NZ 2.86Å; E53-K56 PolarHBondContact OE2-NZ 2.75Å; E53-N57 WeakPolarHBondContact O-CB 3.24Å; E53-N57 PolarHBondContact O-N 2.63Å; E53-N57 PolarHBondContact O-ND2 3.29Å
54L90.2Very high86.9Confident0 Ų063.2 Ų63.20%032%0.315CS..Hα-helixtrans-61.2-47.7170.7174.462.2000111L23 M27 L45 V46 S51 K56 N57 V58L23-L54 HydrophobicContact CD1-CD1 3.91Å; L23-L54 HydrophobicContact CG-CD1 4.44Å; M27-L54 HydrophobicContact CE-CB 3.98Å; M27-L54 HydrophobicContact CE-CD1 4.22Å; M27-L54 HydrophobicContact CE-CD2 4.41Å; M27-L54 HydrophobicContact CE-CG 4.44Å; M27-L54 HydrophobicContact CG-CD1 3.91Å; M27-L54 HydrophobicContact SD-CB 4.09Å; M27-L54 HydrophobicContact SD-CD1 4.04Å; L45-L54 HydrophobicContact CD2-CD1 3.93Å; L45-L54 HydrophobicContact CD2-CD2 4.35Å; L45-L54 HydrophobicContact CG-CD1 4.5Å; L45-L54 HydrophobicContact CG-CD2 4.04Å; V46-L54 HydrophobicContact CB-CD2 4.48Å; V46-L54 HydrophobicContact CG2-CD1 4.31Å; V46-L54 HydrophobicContact CG2-CD2 3.93Å; V46-L54 HydrophobicContact CG2-CG 4.12Å; S51-L54 WeakPolarHBondContact O-CB 3.27Å; S51-L54 PolarHBondContact O-N 3.14Å; S51-L54 WeakPolarHBondContact OG-CB 3.19Å; S51-L54 PolarHBondContact OG-N 3.28Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.28Å; L54-N57 PolarHBondContact O-N 3.22Å; L54-V58 HydrophobicContact CD1-CG2 4.35Å; L54-V58 WeakPolarHBondContact O-CG2 3.32Å; L54-V58 PolarHBondContact O-N 3Å
55L89.1Confident85.8Confident7 Ų757.9 Ų57.94%0.03730%0.295CS..Hα-helixtrans-66.8-29.2178.6-62.8169.1000112.5A8 Y50 S51 P52 R59A8-L55 HydrophobicContact CB-CD2 3.57Å; Y50-L55 HydrophobicContact CD1-CD1 4.41Å; Y50-L55 HydrophobicContact CD2-CD1 4.1Å; Y50-L55 HydrophobicContact CD2-CD2 4.17Å; Y50-L55 HydrophobicContact CE1-CD1 3.94Å; Y50-L55 HydrophobicContact CE2-CD1 3.64Å; Y50-L55 HydrophobicContact CE2-CD2 3.88Å; Y50-L55 HydrophobicContact CE2-CG 4.33Å; Y50-L55 HydrophobicContact CG-CD1 4.45Å; S51-L55 WeakPolarHBondContact O-CG 3.35Å; S51-L55 PolarHBondContact O-N 2.92Å; P52-L55 PolarHBondContact O-N 2.71Å; L55-R59 WeakPolarHBondContact O-CB 3.36Å; L55-R59 VanDerWaalsContact O-CG 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.29Å; L55-R59 PolarHBondContact O-N 3.14Å; L55-R59 VanDerWaalsContact O-N 3.11Å; L55-R59 PolarHBondContact O-NE 3.36Å; L55-R59 VanDerWaalsContact O-NE 3.14Å
56K90.4Very high84.5Confident102 Ų10259.8 Ų59.844%0.44330%0.303SS..Hα-helixtrans-70.2-47.5171.6169168.6155.3-101.40111.4P52 E53 L54 V58 R59 Q60P52-K56 VanDerWaalsContact O-CB 3.3Å; P52-K56 WeakPolarHBondContact O-CB 3.48Å; P52-K56 PolarHBondContact O-N 2.92Å; E53-K56 PolarHBondContact O-N 3.46Å; E53-K56 IonicContact OE1-NZ 2.71Å; E53-K56 PolarHBondContact OE1-NZ 2.96Å; E53-K56 IonicContact OE2-NZ 2.86Å; E53-K56 PolarHBondContact OE2-NZ 2.75Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.28Å; K56-V58 PolarHBondContact O-N 2.86Å; K56-R59 PolarHBondContact O-N 2.95Å; K56-Q60 WeakPolarHBondContact O-CB 3.49Å; K56-Q60 PolarHBondContact O-N 3.31Å
57N91.4Very high82.9Confident31 Ų3163.5 Ų63.517%0.16633%0.327CS..Hα-helixtrans-63-41.3176.6-75.6-29.6000112.4L23 E53 L54 Q60 L61L23-N57 HydrophobicContact CD1-CB 4.07Å; E53-N57 WeakPolarHBondContact O-CB 3.24Å; E53-N57 PolarHBondContact O-N 2.63Å; E53-N57 PolarHBondContact O-ND2 3.29Å; L54-N57 PolarHBondContact O-N 3.22Å; N57-Q60 PolarHBondContact O-N 3.23Å; N57-L61 WeakPolarHBondContact O-CB 3.46Å; N57-L61 WeakPolarHBondContact O-CG 3.06Å; N57-L61 PolarHBondContact O-N 3.02Å
58V91.3Very high81Confident0 Ų066 Ų660%034%0.336CS..Hα-helixtrans-61-46.4172.7171.80000111.1A8 M11 V12 F15 L23 V46 L54 K56 Y62A8-V58 HydrophobicContact CB-CG1 4.11Å; M11-V58 HydrophobicContact CB-CG1 3.62Å; M11-V58 HydrophobicContact CG-CG1 4.43Å; M11-V58 HydrophobicContact SD-CG1 4.03Å; V12-V58 HydrophobicContact CG2-CG1 4.02Å; V12-V58 HydrophobicContact CG2-CG2 3.88Å; F15-V58 HydrophobicContact CZ-CG1 4.26Å; L23-V58 HydrophobicContact CD1-CG2 3.74Å; L23-V58 HydrophobicContact CD2-CG2 3.83Å; L23-V58 HydrophobicContact CG-CG2 4.45Å; V46-V58 HydrophobicContact CG2-CG2 4.26Å; L54-V58 HydrophobicContact CD1-CG2 4.35Å; L54-V58 WeakPolarHBondContact O-CG2 3.32Å; L54-V58 PolarHBondContact O-N 3Å; K56-V58 PolarHBondContact O-N 2.86Å; V58-Y62 VanDerWaalsContact O-CB 3.28Å; V58-Y62 WeakPolarHBondContact O-CB 3.37Å; V58-Y62 PolarHBondContact O-N 3.23Å
59R88.8Confident78.9Confident68 Ų6865.3 Ų65.326%0.25734%0.336SS..Hα-helixtrans-64.4-41.7177.7-78.9-178.3-86.6-140.96.6112.2E4 M11 L55 K56 Y62 E63E4-R59 IonicContact OE1-CZ 3.17Å; E4-R59 IonicContact OE1-NH1 3.17Å; E4-R59 PolarHBondContact OE1-NH1 2.94Å; E4-R59 IonicContact OE1-NH2 3.75Å; E4-R59 PolarHBondContact OE1-NH2 3.19Å; M11-R59 HydrophobicContact CE-CG 4.05Å; M11-R59 HydrophobicContact SD-CG 3.81Å; L55-R59 WeakPolarHBondContact O-CB 3.36Å; L55-R59 VanDerWaalsContact O-CG 3.32Å; L55-R59 WeakPolarHBondContact O-CG 3.29Å; L55-R59 PolarHBondContact O-N 3.14Å; L55-R59 VanDerWaalsContact O-N 3.11Å; L55-R59 PolarHBondContact O-NE 3.36Å; L55-R59 VanDerWaalsContact O-NE 3.14Å; K56-R59 PolarHBondContact O-N 2.95Å; R59-Y62 PolarHBondContact O-N 3.11Å; R59-E63 WeakPolarHBondContact O-CB 3.37Å; R59-E63 VanDerWaalsContact O-CG 3.29Å; R59-E63 WeakPolarHBondContact O-CG 3.28Å; R59-E63 PolarHBondContact O-N 3.1Å
60Q89.4Confident76.6Confident119 Ų11965.9 Ų65.956%0.55635%0.354SS*.Hα-helixtrans-66.3-44.3179.3-174.4173.7-11.200112.8K56 N57 Y62 E63 S64K56-Q60 WeakPolarHBondContact O-CB 3.49Å; K56-Q60 PolarHBondContact O-N 3.31Å; N57-Q60 PolarHBondContact O-N 3.23Å; Q60-Y62 VanDerWaalsContact C-N 3.27Å; Q60-Y62 PolarHBondContact O-N 3.28Å; Q60-E63 PolarHBondContact O-N 2.82Å; Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.98Å; Q60-S64 PolarHBondContact O-OG 3.14Å
61L87.2Confident74.4Confident37 Ų3767.1 Ų67.119%0.19438%0.375CS..Hα-helixtrans-66.9-27.4174.7-71.7171.1000112.8F15 T22 L23 N57 S64F15-L61 HydrophobicContact CE1-CB 4.31Å; F15-L61 HydrophobicContact CE2-CB 4.07Å; F15-L61 HydrophobicContact CE2-CD1 4.18Å; F15-L61 HydrophobicContact CZ-CB 3.68Å; T22-L61 HydrophobicContact CG2-CD2 4.23Å; L23-L61 HydrophobicContact CB-CD1 3.95Å; L23-L61 HydrophobicContact CD1-CD1 4.28Å; N57-L61 WeakPolarHBondContact O-CB 3.46Å; N57-L61 WeakPolarHBondContact O-CG 3.06Å; N57-L61 PolarHBondContact O-N 3.02Å; L61-S64 PolarHBondContact O-OG 2.82Å
62Y85.1Confident71.8Confident39 Ų3972.9 Ų72.915%0.15339%0.392CS..Hα-helixtrans-76.9-48.9174-172.9-93000111.6M11 F15 V58 R59 Q60 S64 R65 F66M11-Y62 HydrophobicContact CB-CD2 3.62Å; M11-Y62 HydrophobicContact CB-CE2 4.25Å; M11-Y62 HydrophobicContact CB-CG 3.98Å; M11-Y62 HydrophobicContact CE-CD1 3.86Å; M11-Y62 HydrophobicContact CE-CE1 4.25Å; M11-Y62 HydrophobicContact CE-CG 4.24Å; M11-Y62 HydrophobicContact CG-CD1 4.07Å; M11-Y62 HydrophobicContact CG-CD2 3.55Å; M11-Y62 HydrophobicContact CG-CE1 4.44Å; M11-Y62 HydrophobicContact CG-CE2 3.95Å; M11-Y62 HydrophobicContact CG-CG 3.6Å; M11-Y62 HydrophobicContact SD-CD1 4.3Å; M11-Y62 HydrophobicContact SD-CG 4.06Å; F15-Y62 HydrophobicContact CE1-CD2 4.23Å; V58-Y62 VanDerWaalsContact O-CB 3.28Å; V58-Y62 WeakPolarHBondContact O-CB 3.37Å; V58-Y62 PolarHBondContact O-N 3.23Å; R59-Y62 PolarHBondContact O-N 3.11Å; Q60-Y62 VanDerWaalsContact C-N 3.27Å; Q60-Y62 PolarHBondContact O-N 3.28Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.03Å; Y62-R65 PolarHBondContact O-N 3.44Å; Y62-R65 VanDerWaalsContact O-N 3.16Å; Y62-F66 HydrophobicContact CD1-CB 4.21Å; Y62-F66 HydrophobicContact CD1-CD2 4.21Å; Y62-F66 AromaticContact CD2-CD2 3.52Å; Y62-F66 HydrophobicContact CD2-CD2 3.52Å; Y62-F66 AromaticContact CD2-CE2 3.89Å; Y62-F66 HydrophobicContact CD2-CE2 3.89Å; Y62-F66 HydrophobicContact CE1-CB 3.82Å; Y62-F66 HydrophobicContact CE1-CD2 4.06Å; Y62-F66 HydrophobicContact CE1-CG 4.26Å; Y62-F66 AromaticContact CE2-CD2 3.35Å; Y62-F66 HydrophobicContact CE2-CD2 3.35Å; Y62-F66 AromaticContact CE2-CE2 3.65Å; Y62-F66 HydrophobicContact CE2-CE2 3.65Å; Y62-F66 HydrophobicContact CE2-CG 4.17Å; Y62-F66 AromaticContact CG-CD2 3.96Å; Y62-F66 HydrophobicContact CG-CD2 3.96Å; Y62-F66 AromaticContact CZ-CD2 3.63Å; Y62-F66 AromaticContact CZ-CG 3.99Å; Y62-F66 WeakPolarHBondContact O-CB 3.46Å; Y62-F66 WeakPolarHBondContact O-CD2 3.41Å; Y62-F66 PolarHBondContact O-N 3.2Å
63E81.6Confident69.2Low70 Ų7074.6 Ų74.633%0.32739%0.394SS..Hα-helixtrans-65.7-31.3-178.5-73.7174.3-178.400113R59 Q60 R65 F66 P67 K68R59-E63 WeakPolarHBondContact O-CB 3.37Å; R59-E63 VanDerWaalsContact O-CG 3.29Å; R59-E63 WeakPolarHBondContact O-CG 3.28Å; R59-E63 PolarHBondContact O-N 3.1Å; Q60-E63 PolarHBondContact O-N 2.82Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 3.49Å; E63-F66 CarbonylContact O-C 3.5Å; E63-P67 WeakPolarHBondContact O-CA 3.19Å; E63-K68 WeakPolarHBondContact OE1-CE 3.26Å; E63-K68 IonicContact OE1-NZ 2.96Å; E63-K68 PolarHBondContact OE1-NZ 3.23Å
64S75Confident66.4Low97 Ų9775.8 Ų75.868%0.67841%0.41SS*.THydrogen-bonded Turntrans-68.4-20.6174.863.50000114.1Q60 L61 Y62Q60-S64 WeakPolarHBondContact O-CB 3.36Å; Q60-S64 PolarHBondContact O-N 2.98Å; Q60-S64 PolarHBondContact O-OG 3.14Å; L61-S64 PolarHBondContact O-OG 2.82Å; Y62-S64 VanDerWaalsContact C-N 3.32Å; Y62-S64 PolarHBondContact O-N 3.03Å
65R65.3Low63.4Low52 Ų5280.5 Ų80.520%0.19645%0.449CS..THydrogen-bonded Turntrans-99.4-38171.1176.7176.1-70.5134.411.3112.8D19 Y62 E63 P67D19-R65 VanDerWaalsContact CG-NH2 3.3Å; D19-R65 IonicContact OD1-CZ 2.7Å; D19-R65 IonicContact OD1-NH1 3.88Å; D19-R65 IonicContact OD1-NH2 2.71Å; D19-R65 PolarHBondContact OD1-NH2 2.78Å; D19-R65 IonicContact OD2-CZ 2.74Å; D19-R65 IonicContact OD2-NH1 3.8Å; D19-R65 PolarHBondContact OD2-NH1 3.47Å; D19-R65 IonicContact OD2-NH2 3.15Å; D19-R65 PolarHBondContact OD2-NH2 3.41Å; D19-R65 VanDerWaalsContact OD2-NH2 3.17Å; Y62-R65 PolarHBondContact O-N 3.44Å; Y62-R65 VanDerWaalsContact O-N 3.16Å; E63-R65 VanDerWaalsContact C-N 3.26Å; E63-R65 PolarHBondContact O-N 3.49Å; R65-P67 VanDerWaalsContact C-CD 3.42Å; R65-P67 VanDerWaalsContact O-CD 3.24Å; R65-P67 WeakPolarHBondContact O-CD 3.41Å
66F63.9Low60.6Low48 Ų4891 Ų9121%0.21149%0.488CS..SBendtrans-118.872.3-173.7-55.1-73.7000109Y62 E63 K68Y62-F66 HydrophobicContact CD1-CB 4.21Å; Y62-F66 HydrophobicContact CD1-CD2 4.21Å; Y62-F66 AromaticContact CD2-CD2 3.52Å; Y62-F66 HydrophobicContact CD2-CD2 3.52Å; Y62-F66 AromaticContact CD2-CE2 3.89Å; Y62-F66 HydrophobicContact CD2-CE2 3.89Å; Y62-F66 HydrophobicContact CE1-CB 3.82Å; Y62-F66 HydrophobicContact CE1-CD2 4.06Å; Y62-F66 HydrophobicContact CE1-CG 4.26Å; Y62-F66 AromaticContact CE2-CD2 3.35Å; Y62-F66 HydrophobicContact CE2-CD2 3.35Å; Y62-F66 AromaticContact CE2-CE2 3.65Å; Y62-F66 HydrophobicContact CE2-CE2 3.65Å; Y62-F66 HydrophobicContact CE2-CG 4.17Å; Y62-F66 AromaticContact CG-CD2 3.96Å; Y62-F66 HydrophobicContact CG-CD2 3.96Å; Y62-F66 AromaticContact CZ-CD2 3.63Å; Y62-F66 AromaticContact CZ-CG 3.99Å; Y62-F66 WeakPolarHBondContact O-CB 3.46Å; Y62-F66 WeakPolarHBondContact O-CD2 3.41Å; Y62-F66 PolarHBondContact O-N 3.2Å; E63-F66 CarbonylContact O-C 3.5Å; F66-K68 PolarHBondContact O-N 2.67Å
67P56.8Low57.7Low77 Ų7797 Ų9750%0.551%0.508SS..PPolyproline II helixtrans-56.9128.1179.123-33.4000109.3E63 R65 S69E63-P67 WeakPolarHBondContact O-CA 3.19Å; R65-P67 VanDerWaalsContact C-CD 3.42Å; R65-P67 VanDerWaalsContact O-CD 3.24Å; R65-P67 WeakPolarHBondContact O-CD 3.41Å; P67-S69 PolarHBondContact O-N 3.14Å; P67-S69 VanDerWaalsContact O-N 3.17Å
68K44.6Very low54.7Low158 Ų158101.7 Ų101.769%0.68754%0.54SS*.PPolyproline II helixtrans-54.3120.7-178.5-79.8168.4166.4162.20109.5E63 F66 A70E63-K68 WeakPolarHBondContact OE1-CE 3.26Å; E63-K68 IonicContact OE1-NZ 2.96Å; E63-K68 PolarHBondContact OE1-NZ 3.23Å; F66-K68 PolarHBondContact O-N 2.67Å; K68-A70 PolarHBondContact O-N 2.71Å
69S41.7Very low51.6Low98 Ų98110.5 Ų110.569%0.68558%0.581SS**PPolyproline II helixtrans-55.6128.8165.4-169.30000108.1P67 A71P67-S69 PolarHBondContact O-N 3.14Å; P67-S69 VanDerWaalsContact O-N 3.17Å; S69-A71 PolarHBondContact O-N 3.02Å
70A36.3Very low48.9Very low91 Ų91110.5 Ų110.575%0.75260%0.602SS**PPolyproline II helixtrans-55.6136.3175.900000108.7K68K68-A70 PolarHBondContact O-N 2.71Å
71A34.8Very low46Very low79 Ų79111 Ų11165%0.65361%0.613SS**PPolyproline II helixtrans-52.9144.1-160.900000113.3S69 L73S69-A71 PolarHBondContact O-N 3.02Å; A71-L73 PolarHBondContact O-N 2.84Å
72W32.5Very low43.2Very low156 Ų156115.3 Ų115.359%0.59164%0.643SS**  trans-63.271.4166.9-83.670.1000110.7C276 F359W72-C276 HydrophobicContact CH2-CB 4.29Å; W72-C276 WeakPolarHBondContact CH2-SG 3.32Å; W72-C276 HydrophobicContact CZ2-CB 4.28Å; W72-C276 WeakPolarHBondContact CZ2-SG 3.16Å; W72-F359 HydrophobicContact CH2-CE1 4.28Å
73L29.4Very low40.5Very low145 Ų145119.4 Ų119.476%0.75967%0.672SS**PPolyproline II helixtrans-75.8130.3161.5-65.8175.8000107.1A71 A75A71-L73 PolarHBondContact O-N 2.84Å; L73-A75 PolarHBondContact O-N 3.38Å
74P28.7Very low37.9Very low118 Ų118120.6 Ų120.677%0.76669%0.694SS**PPolyproline II helixtrans-59.3129.6169.426.4-32.9000108.1R76P74-R76 PolarHBondContact O-N 2.83Å
75A27.5Very low35.7Very low99 Ų99126.5 Ų126.582%0.81870%0.703SS**PPolyproline II helixtrans-51.9125.8-179.500000109.9L73 R77L73-A75 PolarHBondContact O-N 3.38Å; A75-R77 PolarHBondContact O-N 2.8Å
76R31.5Very low33.9Very low228 Ų228129.6 Ų129.686%0.8673%0.733SS**PPolyproline II helixtrans-56.3139.1170.6-79.7-169.1174.8-146.22.4108.2P74P74-R76 PolarHBondContact O-N 2.83Å
77R28.2Very low32.1Very low226 Ų226132.8 Ų132.885%0.85376%0.761SS**PPolyproline II helixtrans-54.7145.3173.3-68.8177.4175.7165.5-2.3109.5A75 E79A75-R77 PolarHBondContact O-N 2.8Å; R77-E79 PolarHBondContact O-N 3.19Å; R77-E79 VanDerWaalsContact O-N 3.16Å
78P29.3Very low30.8Very low130 Ų130137.7 Ų137.784%0.84478%0.782SS**PPolyproline II helixtrans-59.4117.1160.3-17.130.7000108.5G80P78-G80 PolarHBondContact O-N 2.64Å
79E26.9Very low30.1Very low185 Ų185135.4 Ų135.486%0.86479%0.786SS**  trans-79.5113.7172-72.9-178.7147.500108.6R77R77-E79 PolarHBondContact O-N 3.19Å; R77-E79 VanDerWaalsContact O-N 3.16Å
80G30.6Very low29.5Very low68 Ų68136.6 Ų136.670%0.70179%0.794SS**  trans-98.3123.7-179.400000112P78P78-G80 PolarHBondContact O-N 2.64Å
81V30.2Very low29.1Very low129 Ų129137.9 Ų137.978%0.78280%0.798SS**  trans67.2121.2164.5-169.20000116.1
82P26.8Very low29.4Very low128 Ų128140 Ų14083%0.83181%0.805SS**PPolyproline II helixtrans-76.7127.3174.331.4-33.2000111.5
83V28.6Very low29.2Very low125 Ų125138.1 Ų138.176%0.75882%0.815SS**PPolyproline II helixtrans-98.6116.2162.7-179.50000107.7
84A28.1Very low29.2Very low95 Ų95139 Ų13979%0.78582%0.82SS**PPolyproline II helixtrans-73.2129.7-178.500000111.3
85Y28.8Very low29.3Very low222 Ų222140.3 Ų140.387%0.87183%0.826SS**  trans-132.2142.4159.6-103.3-87.5000110
86S26.9Very low29.5Very low116 Ų116140.7 Ų140.781%0.81182%0.823SS**  trans-69.5143.8-162.4-55.50000114.2
87S26.8Very low29.6Very low115 Ų115139.6 Ų139.680%0.80483%0.827SS**  trans-65.113317352.50000112.7
88L29.5Very low29.6Very low180 Ų180132.7 Ų132.794%0.94283%0.826SS**  trans-126.5123.7152.5-80.1176.2000109.4
89S29.7Very low29.9Very low111 Ų111132.3 Ų132.378%0.77682%0.822SS**  trans-92.3137.7179.752.30000111.8
90S28.6Very low30.2Very low122 Ų122131.5 Ų131.585%0.85382%0.824SS**  trans-167134.7144.3-83.20000111.2
91S27.9Very low30.4Very low118 Ų118138.2 Ų138.283%0.82583%0.829SS**  trans-134.9171.9167.9-49.50000108.1
92P40.7Very low30.6Very low124 Ų124139.8 Ų139.881%0.80583%0.832SS**  -96.4168.2-105.339.2-30.7000113.7
93S27.7Very low31Very low116 Ų116141.3 Ų141.381%0.81183%0.833SS**  trans-122.4133.5164.949.20000111
94L31.2Very low31.1Very low165 Ų165138.8 Ų138.886%0.86483%0.833SS**  trans-87.8140.4166-68.190.6000109.2
95T30.3Very low31.6Very low144 Ų144142.5 Ų142.588%0.88384%0.838SS**  trans-137.6146.3151.443.70000109
96S32Very low31.8Very low108 Ų108137.2 Ų137.276%0.75583%0.834SS**  trans-127.9141.1179.159.80000110.3
97Q33Very low32.5Very low204 Ų204140.6 Ų140.695%0.95383%0.834SS**  trans165.3156.4140.4-92.1169.71500109.6
98G28.6Very low33Very low81 Ų81140.8 Ų140.884%0.83583%0.832SS**  trans134.574.8-178.600000112.4
99T35.1Very low33.2Very low123 Ų123140 Ų14076%0.75583%0.828SS**  trans-86.3135.6169.747.50000110.6
100D32.4Very low33.7Very low167 Ų167143.3 Ų143.389%0.89383%0.831SS**  trans-151.3145.6150-100.6-40.3000110.5
101Y35.8Very low34.2Very low210 Ų210143.1 Ų143.182%0.82482%0.824SS**  trans-125.2127.4-179.1-82.9-99.1000109.9
102L34.7Very low35Very low161 Ų161143.1 Ų143.184%0.84382%0.822SS**  160152.9126.5-86.3166.5000113.3
103N34.2Very low35.6Very low160 Ų160141.7 Ų141.786%0.85682%0.82SS**  trans51.7100.1163.7-76-5.4000119.8
104G32Very low37.2Very low73 Ų73141 Ų14175%0.75381%0.811SS**  trans-157.4116.615400000109.8S106G104-S106 PolarHBondContact O-N 3.16Å
105I37.1Very low39.7Very low173 Ų173138.3 Ų138.389%0.88779%0.794SS**  trans-62.3119.5-177.3-65.2166000109.3K107I105-K107 PolarHBondContact O-N 2.9Å
106S34.8Very low42.6Very low111 Ų111132.2 Ų132.278%0.77676%0.757SS**  trans-59.5110.7173.2-56.20000110G104G104-S106 PolarHBondContact O-N 3.16Å
107K39.9Very low45.4Very low187 Ų187134.5 Ų134.581%0.81375%0.749SS**PPolyproline II helixtrans-53.5143.6162.2-73.1179.5176.7178.20108.3I105 L109I105-K107 PolarHBondContact O-N 2.9Å; K107-L109 PolarHBondContact O-N 3.04Å; K107-L109 VanDerWaalsContact O-N 3.16Å
108P39Very low48.3Very low119 Ų119125.6 Ų125.677%0.77371%0.708SS**PPolyproline II helixtrans-54.9127.6174.824.1-33.4000108.7H110P108-H110 PolarHBondContact O-N 3.41Å
109L33.6Very low51.4Low162 Ų162123.7 Ų123.785%0.84868%0.68SS**PPolyproline II helixtrans-53.2124.3177.2-177.469.5000108K107 T111K107-L109 PolarHBondContact O-N 3.04Å; K107-L109 VanDerWaalsContact O-N 3.16Å; L109-T111 PolarHBondContact O-N 3.38Å
110H38.7Very low54.2Low182 Ų182122.6 Ų122.684%0.84368%0.675SS**  trans-59.9101.5173.4-97.6-76000108.3P108 P112P108-H110 PolarHBondContact O-N 3.41Å; H110-P112 WeakPolarHBondContact O-CD 3.41Å
111T40Very low57.2Low117 Ų117116.5 Ų116.572%0.71864%0.642SS**PPolyproline II helixtrans-54.2120.615847.40000106.1L109 A113L109-T111 PolarHBondContact O-N 3.38Å; T111-A113 PolarHBondContact O-N 3.27Å
112P43.4Very low60Low118 Ų118107.5 Ų107.577%0.76661%0.61SS**PPolyproline II helixtrans-59.6116.7-179.424-32.7000107.6H110 T114H110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-T114 PolarHBondContact O-N 3.23Å; P112-T114 VanDerWaalsContact O-N 3.11Å
113A53.8Low63Low94 Ų94100.6 Ų100.678%0.77757%0.573SS**PPolyproline II helixtrans-57.6121.117900000107.7T111 E115T111-A113 PolarHBondContact O-N 3.27Å; A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 2.94Å
114T61.8Low66Low101 Ų10196 Ų9662%0.6254%0.544SS*.  trans-68.193.8-179.220.90000108.8P112 V116 P185P112-T114 PolarHBondContact O-N 3.23Å; P112-T114 VanDerWaalsContact O-N 3.11Å; T114-V116 PolarHBondContact O-N 2.97Å; T114-P185 WeakPolarHBondContact O-CB 3.34Å
115E83.3Confident69Low109 Ų10996.9 Ų96.951%0.50953%0.528SS..  trans-57.2129.4-178.9-172.1-175.1-160.400110.5A113 R117A113-E115 VanDerWaalsContact C-N 3.31Å; A113-E115 PolarHBondContact O-N 2.94Å; E115-R117 PolarHBondContact O-N 2.76Å
116V91.1Very high71.9Confident17 Ų1791.9 Ų91.910%0.10351%0.506CS..  trans-60.3132.2174.81780000108.7T114 P133 Q189T114-V116 PolarHBondContact O-N 2.97Å; V116-P133 HydrophobicContact CB-CB 4.05Å; V116-P133 HydrophobicContact CG1-CB 4.47Å; V116-P133 VanDerWaalsContact O-CG 3.3Å; V116-P133 WeakPolarHBondContact O-CG 3.45Å; V116-Q189 HydrophobicContact CG1-CG 4.06Å
117R91.8Very high74.9Confident155 Ų15589.2 Ų89.259%0.58548%0.483SS*.EExtended strand (participates in β ladder)trans-123.1130.1-179.8-69.6172.1-175.2-169.4-1.1109.8E115 V188 Q189E115-R117 PolarHBondContact O-N 2.76Å; R117-V188 HydrophobicContact CB-CG1 4.19Å; R117-V188 CarbonylContact O-C 3.54Å; R117-V188 VanDerWaalsContact O-CA 3.3Å; R117-V188 WeakPolarHBondContact O-CA 3.14Å; R117-Q189 PolarHBondContact O-N 3.21Å
118L93.7Very high77.7Confident17 Ų1783.3 Ų83.39%0.08946%0.458CS..EExtended strand (participates in β ladder)trans-86147.8174.5-69.987.8000111P133 R179 C181 Q189 A257L118-P133 HydrophobicContact CD1-CG 4.05Å; L118-R179 HydrophobicContact CD2-CB 3.46Å; L118-R179 VanDerWaalsContact CD2-CB 3.46Å; L118-R179 HydrophobicContact CD2-CG 4.38Å; L118-C181 HydrophobicContact CD2-CB 3.93Å; L118-C181 HydrophobicContact CG-CB 3.94Å; L118-Q189 CarbonylContact C-O 3.48Å; L118-Q189 WeakPolarHBondContact CA-O 3.44Å; L118-A257 HydrophobicContact CD1-CB 4.27Å
119V92.9Very high80.5Confident42 Ų4281.5 Ų81.526%0.25545%0.445SS..PPolyproline II helixtrans-58.9139.6175.270.90000110.9L121 R179 Q189V119-L121 HydrophobicContact CG1-CD2 4.21Å; V119-R179 PolarHBondContact O-NH1 3.15Å; V119-R179 PolarHBondContact O-NH2 3.38Å; V119-Q189 PolarHBondContact N-O 2.92Å
120P93.6Very high83.5Confident99 Ų9975 Ų7564%0.64341%0.411SS*.PPolyproline II helixtrans-59.2151.2167.8-23.234.6000111.4
121L95.4Very high86.3Confident39 Ų3967.7 Ų67.720%0.20438%0.378CS..BIsolated β-bridgetrans-125.2121.5177.3-62.1175000108.7V119 F123 Y124 P227V119-L121 HydrophobicContact CG1-CD2 4.21Å; L121-F123 PolarHBondContact O-N 2.86Å; L121-F123 VanDerWaalsContact O-N 3.08Å; L121-Y124 HydrophobicContact CB-CD2 3.95Å; L121-Y124 HydrophobicContact CD1-CD2 4.01Å; L121-Y124 CarbonylContact O-C 3.58Å; L121-Y124 PolarHBondContact O-N 2.67Å; L121-Y124 VanDerWaalsContact O-O 3.07Å; L121-P227 HydrophobicContact CD1-CG 3.24Å
122P95.4Very high89Confident22 Ų2264.3 Ų64.314%0.14336%0.362CS..THydrogen-bonded Turntrans-56.2-33.6-172.3-31.137.3000114.7Y124 L269 W348 F359P122-Y124 VanDerWaalsContact C-N 3.31Å; P122-Y124 PolarHBondContact O-N 3.28Å; P122-L269 HydrophobicContact CB-CD1 3.67Å; P122-L269 WeakPolarHBondContact O-CD2 3.45Å; P122-W348 HydrophobicContact CB-CH2 4.02Å; P122-W348 HydrophobicContact CB-CZ2 3.83Å; P122-W348 HydrophobicContact CG-CH2 4.04Å; P122-W348 HydrophobicContact CG-CZ2 3.63Å; P122-F359 HydrophobicContact CB-CB 3.72Å; P122-F359 HydrophobicContact CB-CD1 4.22Å; P122-F359 HydrophobicContact CB-CG 3.98Å; P122-F359 HydrophobicContact CG-CB 3.47Å; P122-F359 VanDerWaalsContact CG-CB 3.47Å; P122-F359 HydrophobicContact CG-CG 4.26Å
123F96.8Very high91.5Very high15 Ų1560 Ų607%0.06633%0.333CS..THydrogen-bonded Turntrans-79.4-4177.4-62.1-72.4000114.9L121 V263 F264 L269 N342 E343 W348L121-F123 PolarHBondContact O-N 2.86Å; L121-F123 VanDerWaalsContact O-N 3.08Å; F123-V263 CarbonylContact O-C 3.45Å; F123-V263 WeakPolarHBondContact O-CA 3.3Å; F123-F264 WeakPolarHBondContact CD1-O 3.4Å; F123-F264 PolarHBondContact O-N 2.73Å; F123-L269 HydrophobicContact CD1-CD1 3.55Å; F123-L269 HydrophobicContact CD1-CG 4.06Å; F123-L269 HydrophobicContact CD2-CD1 4.45Å; F123-L269 HydrophobicContact CE1-CD1 3.4Å; F123-L269 VanDerWaalsContact CE1-CD1 3.4Å; F123-L269 HydrophobicContact CE1-CG 3.98Å; F123-L269 HydrophobicContact CE2-CD1 4.32Å; F123-L269 HydrophobicContact CG-CD1 4.09Å; F123-L269 HydrophobicContact CZ-CD1 3.81Å; F123-N342 VanDerWaalsContact CE2-C 3.49Å; F123-N342 HydrophobicContact CE2-CB 4.06Å; F123-N342 HydrophobicContact CZ-CB 4.34Å; F123-E343 HydrophobicContact CD1-CB 4.4Å; F123-E343 HydrophobicContact CD1-CG 3.99Å; F123-E343 HydrophobicContact CE1-CB 3.75Å; F123-E343 HydrophobicContact CE1-CG 3.78Å; F123-E343 HydrophobicContact CE2-CB 4.2Å; F123-E343 HydrophobicContact CZ-CB 3.64Å; F123-E343 HydrophobicContact CZ-CG 4.14Å; F123-W348 AromaticContact CD2-CZ2 3.96Å; F123-W348 HydrophobicContact CD2-CZ2 3.96Å; F123-W348 AromaticContact CE2-CH2 3.83Å; F123-W348 HydrophobicContact CE2-CH2 3.83Å; F123-W348 AromaticContact CE2-CZ2 3.42Å; F123-W348 HydrophobicContact CE2-CZ2 3.42Å; F123-W348 VanDerWaalsContact CE2-CZ2 3.42Å; F123-W348 HydrophobicContact CZ-CH2 4.16Å; F123-W348 HydrophobicContact CZ-CZ2 4.21Å
124Y97Very high93.5Very high64 Ų6458.5 Ų58.525%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-136.7100.5-176.3-59.8-89.5000111.5L121 P122 V177 P227 V261 R262 V263L121-Y124 HydrophobicContact CB-CD2 3.95Å; L121-Y124 HydrophobicContact CD1-CD2 4.01Å; L121-Y124 CarbonylContact O-C 3.58Å; L121-Y124 PolarHBondContact O-N 2.67Å; L121-Y124 VanDerWaalsContact O-O 3.07Å; P122-Y124 VanDerWaalsContact C-N 3.31Å; P122-Y124 PolarHBondContact O-N 3.28Å; Y124-V177 HydrophobicContact CD1-CG1 4.49Å; Y124-V177 HydrophobicContact CE1-CG1 4.26Å; Y124-P227 HydrophobicContact CD2-CG 4.16Å; Y124-P227 HydrophobicContact CE2-CG 4.03Å; Y124-V261 HydrophobicContact CD1-CB 4.49Å; Y124-V261 HydrophobicContact CD1-CG2 3.93Å; Y124-R262 WeakPolarHBondContact CA-O 3.2Å; Y124-V263 HydrophobicContact CD1-CG2 3.87Å; Y124-V263 HydrophobicContact CE1-CG1 4.4Å; Y124-V263 HydrophobicContact CE1-CG2 3.89Å
125Q96.9Very high95.1Very high92 Ų9257.4 Ų57.443%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-82.5116.6168.2170177.513.400109.3L127 V261 R262 F264Q125-L127 HydrophobicContact CG-CD2 4.35Å; Q125-L127 PolarHBondContact O-N 3.21Å; Q125-V261 CarbonylContact O-C 3.52Å; Q125-V261 VanDerWaalsContact O-CA 3.26Å; Q125-V261 WeakPolarHBondContact O-CA 3.39Å; Q125-R262 HydrophobicContact CB-CB 4.42Å; Q125-R262 PolarHBondContact N-O 3.16Å; Q125-R262 PolarHBondContact O-N 3.48Å; Q125-F264 HydrophobicContact CB-CE2 3.58Å; Q125-F264 HydrophobicContact CB-CZ 4.12Å
126T97.6Very high95.6Very high67 Ų6752.7 Ų52.741%0.41128%0.281SS..EExtended strand (participates in β ladder)trans-59.5127.4166.3-54.60000109.9Y259T126-Y259 HydrophobicContact CG2-CD1 3.71Å; T126-Y259 HydrophobicContact CG2-CE1 4.44Å; T126-Y259 HydrophobicContact CG2-CG 4.33Å
127L97.8Very high95.6Very high56 Ų5656.1 Ų56.129%0.29330%0.302SS..EExtended strand (participates in β ladder)trans-96-51.3170.3-57.1179000109.3Q125 V174 L260 R262Q125-L127 HydrophobicContact CG-CD2 4.35Å; Q125-L127 PolarHBondContact O-N 3.21Å; L127-V174 HydrophobicContact CD1-CG1 4.03Å; L127-V174 HydrophobicContact CD1-CG2 4.49Å; L127-L260 HydrophobicContact CB-CD2 4.44Å; L127-L260 HydrophobicContact CB-CG 4.39Å; L127-L260 HydrophobicContact CD1-CD2 4.48Å; L127-L260 HydrophobicContact CD1-CG 4.34Å; L127-L260 PolarHBondContact N-O 2.99Å; L127-R262 HydrophobicContact CD1-CB 4.22Å; L127-R262 HydrophobicContact CD2-CB 4.08Å; L127-R262 HydrophobicContact CG-CB 4.26Å
128E97.7Very high95.3Very high63 Ų6350.4 Ų50.429%0.29429%0.288SS..EExtended strand (participates in β ladder)trans-144.5147.9-176.1-58177.2-120.400110.6Q157 Q160 Y259 L260E128-Q157 WeakPolarHBondContact OE2-CG 3.43Å; E128-Q157 PolarHBondContact OE2-NE2 2.79Å; E128-Q160 PolarHBondContact OE1-NE2 2.8Å; E128-Y259 WeakPolarHBondContact O-CA 3.49Å; E128-L260 HydrophobicContact CB-CB 4.13Å; E128-L260 HydrophobicContact CB-CD2 4.45Å; E128-L260 HydrophobicContact CG-CD2 4.36Å; E128-L260 PolarHBondContact N-O 3.14Å; E128-L260 PolarHBondContact O-N 2.99Å; E128-L260 WeakPolarHBondContact OE1-CD2 3.21Å
129T97.9Very high94.7Very high80 Ų8055.4 Ų55.449%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-94.3116.7171.6-58.50000108.7A132 Y259T129-A132 HydrophobicContact CG2-CB 4.41Å; T129-Y259 HydrophobicContact CG2-CD1 4.18Å; T129-Y259 HydrophobicContact CG2-CE1 3.88Å; T129-Y259 WeakPolarHBondContact OG1-CE1 3.35Å
130L97.9Very high93.5Very high26 Ų2660.8 Ų60.814%0.13634%0.338CS..EExtended strand (participates in β ladder)trans-93.4-30-179.5-56.4178.9000112F151 L153 Q157 V176 V258 L260L130-F151 HydrophobicContact CB-CD2 4.13Å; L130-F151 HydrophobicContact CD1-CD2 4.34Å; L130-F151 HydrophobicContact CD1-CE2 4.04Å; L130-L153 HydrophobicContact CD1-CD2 3.72Å; L130-L153 HydrophobicContact CD2-CD2 4.34Å; L130-Q157 VanDerWaalsContact CD2-CD 3.47Å; L130-Q157 HydrophobicContact CD2-CG 4.34Å; L130-V176 HydrophobicContact CD1-CB 4.48Å; L130-V176 HydrophobicContact CD1-CG1 3.77Å; L130-V176 HydrophobicContact CD1-CG2 3.87Å; L130-V258 HydrophobicContact CB-CB 4.41Å; L130-V258 HydrophobicContact CB-CG1 4.2Å; L130-V258 HydrophobicContact CD1-CG1 4.34Å; L130-V258 PolarHBondContact N-O 2.82Å; L130-L260 HydrophobicContact CD1-CB 4.22Å; L130-L260 HydrophobicContact CD2-CB 4.49Å; L130-L260 HydrophobicContact CG-CB 4.32Å
131L97.5Very high92Very high28 Ų2861.3 Ų61.315%0.14734%0.344CS..EExtended strand (participates in β ladder)trans-139.4119.7167.9-178.269.7000108.3C149 V256 A257 V258L131-C149 HydrophobicContact CD2-CB 3.63Å; L131-C149 VanDerWaalsContact CD2-SG 3.51Å; L131-V256 HydrophobicContact CD2-CG1 4.28Å; L131-A257 WeakPolarHBondContact O-CA 3.44Å; L131-V258 HydrophobicContact CB-CB 3.81Å; L131-V258 HydrophobicContact CB-CG2 3.97Å; L131-V258 HydrophobicContact CD2-CG2 4.15Å; L131-V258 PolarHBondContact N-O 3.44Å; L131-V258 PolarHBondContact O-N 3.15Å
132A96.3Very high90.8Very high46 Ų4665.9 Ų65.938%0.3836%0.364SS..EExtended strand (participates in β ladder)trans-66.4156.2174.600000111.2T129 T134T129-A132 HydrophobicContact CG2-CB 4.41Å; A132-T134 PolarHBondContact O-N 3.2Å; A132-T134 PolarHBondContact O-OG1 3Å
133P96.1Very high90Very high27 Ų2773.7 Ų73.718%0.17540%0.396CS..EExtended strand (participates in β ladder)trans-52.196-178.5-3139.7000114.3V116 L118 V256 A257V116-P133 HydrophobicContact CB-CB 4.05Å; V116-P133 HydrophobicContact CG1-CB 4.47Å; V116-P133 VanDerWaalsContact O-CG 3.3Å; V116-P133 WeakPolarHBondContact O-CG 3.45Å; L118-P133 HydrophobicContact CD1-CG 4.05Å; P133-V256 CarbonylContact C-O 3.59Å; P133-V256 WeakPolarHBondContact CA-O 3.49Å; P133-A257 HydrophobicContact CB-CB 4.49Å; P133-A257 HydrophobicContact CG-CB 3.97Å
134T95.5Very high89.6Confident63 Ų6376.7 Ų76.739%0.38741%0.412SS..EExtended strand (participates in β ladder)trans-102.5127.8-173.2-590000109.2A132 S255 V256A132-T134 PolarHBondContact O-N 3.2Å; A132-T134 PolarHBondContact O-OG1 3Å; T134-S255 CarbonylContact O-C 3.46Å; T134-S255 VanDerWaalsContact O-CA 3.22Å; T134-S255 WeakPolarHBondContact O-CA 3.43Å; T134-V256 PolarHBondContact N-O 2.89Å; T134-V256 PolarHBondContact O-N 2.69Å
135E94.8Very high89.3Confident79 Ų7974.1 Ų74.137%0.36940%0.402SS..EExtended strand (participates in β ladder)trans-68.1131.5-179.8-176.6162.3-179.100111.6V137 R253E135-V137 PolarHBondContact O-N 2.97Å; E135-R253 VanDerWaalsContact OE1-CD 3.28Å; E135-R253 WeakPolarHBondContact OE1-CD 3.1Å; E135-R253 IonicContact OE1-CZ 3.81Å; E135-R253 IonicContact OE1-NE 3.18Å; E135-R253 IonicContact OE1-NH1 2.76Å; E135-R253 PolarHBondContact OE1-NH1 3.39Å; E135-R253 IonicContact OE2-NH1 2.86Å; E135-R253 PolarHBondContact OE2-NH1 3.17Å
136L94.1Very high89.2Confident10 Ų1073.1 Ų73.15%0.05240%0.4CS..  trans-75.192.3169.7-56.2-177000107.5A138 I180 I245 W247 Y254 V256L136-A138 PolarHBondContact O-N 2.87Å; L136-I180 HydrophobicContact CD1-CG2 4.45Å; L136-I245 HydrophobicContact CD1-CG2 4.2Å; L136-I245 HydrophobicContact CD2-CD1 3.9Å; L136-W247 HydrophobicContact CB-CH2 4.2Å; L136-W247 HydrophobicContact CB-CZ2 3.47Å; L136-W247 VanDerWaalsContact CB-CZ2 3.47Å; L136-W247 HydrophobicContact CD1-CD2 4.47Å; L136-W247 WeakPolarHBondContact O-CH2 3.33Å; L136-W247 WeakPolarHBondContact O-CZ2 3.46Å; L136-Y254 WeakPolarHBondContact CB-O 3.35Å; L136-Y254 WeakPolarHBondContact CG-O 3.28Å; L136-Y254 PolarHBondContact N-O 3.39Å; L136-V256 HydrophobicContact CD2-CB 4.07Å; L136-V256 HydrophobicContact CD2-CG1 3.64Å
137V90.6Very high89.1Confident89 Ų8970.6 Ų70.654%0.53939%0.385SS..  trans-63.1133.3177.8-178.80000109.5E135E135-V137 PolarHBondContact O-N 2.97Å
138A85.3Confident89Confident35 Ų3574.3 Ų74.329%0.28940%0.401SS..  trans-92.9142.3175.600000112.1L136 W247 N249L136-A138 PolarHBondContact O-N 2.87Å; A138-W247 HydrophobicContact CB-CH2 4.22Å; A138-N249 HydrophobicContact CB-CB 4.41Å; A138-N249 WeakPolarHBondContact CB-ND2 3.17Å
139H82.6Confident88.9Confident121 Ų12171.9 Ų71.956%0.5639%0.391SS*.  trans-108.3126.1175.7-60.7-68.1000109.5S141H139-S141 PolarHBondContact O-N 2.83Å
140N66.4Low88.9Confident156 Ų15671.2 Ų71.283%0.83439%0.386SS*.THydrogen-bonded Turntrans-81.780.2-164.9-74-17000113.7
141S63.3Low88.9Confident110 Ų11070.5 Ų70.577%0.76938%0.382SS*.THydrogen-bonded Turntrans-163.9-30.316045.80000115.2H139H139-S141 PolarHBondContact O-N 2.83Å
142E68.6Low88.9Confident134 Ų13474.9 Ų74.963%0.62640%0.402SS*.  trans-108.1148.7-163-55.8-169.8143.200113.9L144E142-L144 VanDerWaalsContact CB-O 3.3Å; E142-L144 WeakPolarHBondContact CB-O 3.3Å; E142-L144 PolarHBondContact O-N 2.92Å
143K79.4Confident89Confident186 Ų18672.9 Ų72.981%0.80939%0.385SS*.SBendtrans-72.2-17.4176.5-69-174.6178.2179.30113.4G248K143-G248 WeakPolarHBondContact O-CA 3.47Å
144L88.8Confident89Confident78 Ų7874.6 Ų74.641%0.40840%0.395SS..SBendtrans-145.4136.4-178.9-16678.9000106.2E142 N196 T246 W247E142-L144 VanDerWaalsContact CB-O 3.3Å; E142-L144 WeakPolarHBondContact CB-O 3.3Å; E142-L144 PolarHBondContact O-N 2.92Å; L144-N196 HydrophobicContact CD1-CB 3.54Å; L144-T246 HydrophobicContact CD1-CG2 4.17Å; L144-T246 HydrophobicContact CD2-CG2 3.6Å; L144-T246 HydrophobicContact CG-CG2 3.69Å; L144-W247 CarbonylContact C-O 3.58Å; L144-W247 WeakPolarHBondContact CA-O 3.42Å
145Q91.3Very high89.1Confident10 Ų1076.3 Ų76.35%0.04741%0.407CS..EExtended strand (participates in β ladder)trans-144.6155.1-174.863.8-173.2-11.300110.5T246 W247Q145-T246 CarbonylContact O-C 3.52Å; Q145-T246 WeakPolarHBondContact O-CA 3.3Å; Q145-W247 HydrophobicContact CG-CD2 4.4Å; Q145-W247 HydrophobicContact CG-CZ2 4.49Å; Q145-W247 PolarHBondContact N-O 2.77Å; Q145-W247 VanDerWaalsContact NE2-CE2 3.26Å; Q145-W247 PolarHBondContact O-N 2.85Å
146D93.8Very high89.2Confident72 Ų7276.1 Ų76.139%0.38542%0.415SS..EExtended strand (participates in β ladder)trans-96.9138.1172-84.5-7.3000111.2T244 I245 T246D146-T244 HydrophobicContact CB-CG2 3.9Å; D146-T244 VanDerWaalsContact CG-CG2 3.41Å; D146-T244 WeakPolarHBondContact OD2-CG2 3.46Å; D146-I245 WeakPolarHBondContact CA-O 3.28Å; D146-T246 WeakPolarHBondContact OD1-CA 3.23Å; D146-T246 WeakPolarHBondContact OD1-CB 3.37Å; D146-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D146-T246 PolarHBondContact OD1-OG1 2.96Å
147S95.3Very high89.4Confident14 Ų1476.5 Ų76.510%0.09842%0.416CS..EExtended strand (participates in β ladder)trans-121.2134.6164.9-58.70000109.1I245 W247S147-I245 PolarHBondContact N-O 3.37Å; S147-I245 PolarHBondContact O-N 2.87Å; S147-W247 PolarHBondContact OG-NE1 2.87Å
148H95.5Very high89.7Confident133 Ų13372.4 Ų72.462%0.61639%0.391SS*.EExtended strand (participates in β ladder)trans-112139.4-176.7-48.6-68.5000111.5V243 T244H148-V243 WeakPolarHBondContact CA-O 3.24Å; H148-T244 WeakPolarHBondContact ND1-CG2 3.5Å; H148-T244 PolarHBondContact ND1-OG1 3.13Å
149C96.6Very high90.2Very high13 Ų1374.1 Ų74.19%0.08840%0.395CS..EExtended strand (participates in β ladder)trans-133.9158165.261.30000110.9L131 V243L131-C149 HydrophobicContact CD2-CB 3.63Å; L131-C149 VanDerWaalsContact CD2-SG 3.51Å; C149-V243 PolarHBondContact N-O 2.89Å; C149-V243 PolarHBondContact O-N 3.28Å
150V97.5Very high90.9Very high65 Ų6571 Ų7139%0.39438%0.381SS..EExtended strand (participates in β ladder)trans-138.1137.5-173.9-172.10000108.6P240 N241 R242V150-P240 HydrophobicContact CG1-CB 3.83Å; V150-N241 WeakPolarHBondContact CA-O 3.4Å; V150-R242 HydrophobicContact CG1-CG 4.3Å; V150-R242 HydrophobicContact CG2-CG 4.16Å
151F97.6Very high92.3Very high11 Ų1163.6 Ų63.65%0.04834%0.342CS..EExtended strand (participates in β ladder)trans-144.6157.2172.267.7-84.7000110.5L130 L153 V176 I230 L234 N241 V243 V258L130-F151 HydrophobicContact CB-CD2 4.13Å; L130-F151 HydrophobicContact CD1-CD2 4.34Å; L130-F151 HydrophobicContact CD1-CE2 4.04Å; F151-L153 HydrophobicContact CD2-CD2 4.37Å; F151-L153 HydrophobicContact CE2-CD2 3.99Å; F151-L153 HydrophobicContact CE2-CG 4.38Å; F151-V176 HydrophobicContact CZ-CG1 4.25Å; F151-I230 HydrophobicContact CE1-CD1 4.19Å; F151-I230 HydrophobicContact CZ-CD1 4.06Å; F151-L234 HydrophobicContact CE2-CD2 4.47Å; F151-L234 HydrophobicContact CZ-CD1 4.29Å; F151-L234 HydrophobicContact CZ-CD2 3.72Å; F151-N241 HydrophobicContact CD1-CB 4.39Å; F151-N241 HydrophobicContact CD2-CB 4.46Å; F151-N241 HydrophobicContact CE1-CB 4.05Å; F151-N241 HydrophobicContact CE2-CB 4.12Å; F151-N241 HydrophobicContact CZ-CB 3.91Å; F151-N241 PolarHBondContact N-O 3.19Å; F151-N241 VanDerWaalsContact N-O 3.08Å; F151-N241 WeakPolarHBondContact O-CB 3.19Å; F151-N241 PolarHBondContact O-N 3.14Å; F151-V243 HydrophobicContact CD1-CG2 4.44Å; F151-V243 HydrophobicContact CE1-CG2 3.88Å; F151-V258 HydrophobicContact CE1-CG1 3.99Å; F151-V258 HydrophobicContact CE1-CG2 4.34Å; F151-V258 HydrophobicContact CE2-CG1 4.45Å; F151-V258 HydrophobicContact CZ-CG1 3.95Å
152E97.5Very high93.8Very high120 Ų12064.1 Ų64.156%0.56133%0.327SS*.  trans-111.1154.9173.4-75.1167.8-149.900109.5P240E152-P240 HydrophobicContact CG-CB 4.21Å; E152-P240 HydrophobicContact CG-CG 4.02Å
153L97.7Very high95.1Very high4 Ų463.6 Ų63.62%0.02133%0.328CS..  trans-100.3133170.8-67.1178.2000109.2L130 F151 Q157 A158 L234 L236L130-L153 HydrophobicContact CD1-CD2 3.72Å; L130-L153 HydrophobicContact CD2-CD2 4.34Å; F151-L153 HydrophobicContact CD2-CD2 4.37Å; F151-L153 HydrophobicContact CE2-CD2 3.99Å; F151-L153 HydrophobicContact CE2-CG 4.38Å; L153-Q157 HydrophobicContact CB-CB 4.49Å; L153-Q157 HydrophobicContact CD2-CB 4.17Å; L153-A158 HydrophobicContact CB-CB 4.38Å; L153-L234 HydrophobicContact CD1-CD1 4.47Å; L153-L236 HydrophobicContact CD1-CD2 3.78Å
154T97.6Very high95.9Very high64 Ų6455.5 Ų55.539%0.39330%0.296SS..  trans-66.8154.6164.673.20000109.6S156 Q157 A158T154-S156 PolarHBondContact O-N 2.83Å; T154-Q157 PolarHBondContact O-N 2.87Å; T154-Q157 VanDerWaalsContact OG1-CD 3.29Å; T154-Q157 VanDerWaalsContact OG1-CG 3.27Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.5Å; T154-Q157 PolarHBondContact OG1-N 2.91Å; T154-Q157 PolarHBondContact OG1-OE1 3.16Å; T154-A158 PolarHBondContact O-N 3.42Å
155P97.3Very high96.1Very high98 Ų9855.3 Ų55.364%0.63630%0.301SS*.Hα-helixtrans-52.9-41176-28.336000112.8Q157 A158 D159P155-Q157 PolarHBondContact O-N 2.92Å; P155-A158 PolarHBondContact O-N 3.4Å; P155-D159 WeakPolarHBondContact O-CB 3.5Å; P155-D159 PolarHBondContact O-N 3.49Å
156S97.1Very high96.1Very high76 Ų7660.2 Ų60.253%0.53132%0.324SS..Hα-helixtrans-59.1-44.6175.2-178.30000113T154 D159 Q160T154-S156 PolarHBondContact O-N 2.83Å; S156-D159 PolarHBondContact O-N 3.32Å; S156-Q160 WeakPolarHBondContact O-CB 3.4Å; S156-Q160 VanDerWaalsContact O-CG 3.28Å; S156-Q160 WeakPolarHBondContact O-CG 3.34Å; S156-Q160 PolarHBondContact O-N 3.09Å
157Q97.5Very high95.8Very high18 Ų1859.2 Ų59.28%0.08432%0.319CS..Hα-helixtrans-67.3-40.8177.2-67160.1-6.800111.5E128 L130 L153 T154 P155 D159 Q160 V161 L260E128-Q157 WeakPolarHBondContact OE2-CG 3.43Å; E128-Q157 PolarHBondContact OE2-NE2 2.79Å; L130-Q157 VanDerWaalsContact CD2-CD 3.47Å; L130-Q157 HydrophobicContact CD2-CG 4.34Å; L153-Q157 HydrophobicContact CB-CB 4.49Å; L153-Q157 HydrophobicContact CD2-CB 4.17Å; T154-Q157 PolarHBondContact O-N 2.87Å; T154-Q157 VanDerWaalsContact OG1-CD 3.29Å; T154-Q157 VanDerWaalsContact OG1-CG 3.27Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.5Å; T154-Q157 PolarHBondContact OG1-N 2.91Å; T154-Q157 PolarHBondContact OG1-OE1 3.16Å; P155-Q157 PolarHBondContact O-N 2.92Å; Q157-D159 PolarHBondContact O-N 3.18Å; Q157-Q160 PolarHBondContact O-N 2.61Å; Q157-V161 WeakPolarHBondContact O-CG2 3.26Å; Q157-V161 PolarHBondContact O-N 2.84Å; Q157-V161 VanDerWaalsContact O-N 3.16Å; Q157-L260 HydrophobicContact CB-CD2 4.31Å; Q157-L260 HydrophobicContact CG-CD2 4.11Å
158A97.3Very high95.3Very high2 Ų264.6 Ų64.62%0.01734%0.337CS..Hα-helixtrans-62.5-41.6176.200000111.7L153 T154 P155 V161 R162 L236L153-A158 HydrophobicContact CB-CB 4.38Å; T154-A158 PolarHBondContact O-N 3.42Å; P155-A158 PolarHBondContact O-N 3.4Å; A158-V161 PolarHBondContact O-N 3.08Å; A158-R162 WeakPolarHBondContact O-CB 3.12Å; A158-R162 PolarHBondContact O-N 3.28Å; A158-L236 HydrophobicContact CB-CB 4.33Å
159D96.6Very high94.7Very high71 Ų7162.9 Ų62.938%0.3835%0.345SS..Hα-helixtrans-75.4-33.1178.5-71.7-25.2000113P155 S156 Q157 V161 R162 N163P155-D159 WeakPolarHBondContact O-CB 3.5Å; P155-D159 PolarHBondContact O-N 3.49Å; S156-D159 PolarHBondContact O-N 3.32Å; Q157-D159 PolarHBondContact O-N 3.18Å; D159-V161 PolarHBondContact O-N 3Å; D159-R162 PolarHBondContact O-N 3.11Å; D159-R162 IonicContact OD1-NE 2.84Å; D159-R162 PolarHBondContact OD1-NE 2.91Å; D159-N163 VanDerWaalsContact O-CB 3.27Å; D159-N163 WeakPolarHBondContact O-CB 3.49Å; D159-N163 VanDerWaalsContact O-CG 3.31Å; D159-N163 PolarHBondContact O-N 2.87Å; D159-N163 PolarHBondContact O-ND2 3.08Å
160Q96.5Very high93.8Very high57 Ų5765.3 Ų65.327%0.26637%0.373SS..Hα-helixtrans-56.4-38.9167.7-80.6-17984.200111.8E128 S156 Q157 A164E128-Q160 PolarHBondContact OE1-NE2 2.8Å; S156-Q160 WeakPolarHBondContact O-CB 3.4Å; S156-Q160 VanDerWaalsContact O-CG 3.28Å; S156-Q160 WeakPolarHBondContact O-CG 3.34Å; S156-Q160 PolarHBondContact O-N 3.09Å; Q157-Q160 PolarHBondContact O-N 2.61Å; Q160-A164 WeakPolarHBondContact O-CB 3.42Å; Q160-A164 PolarHBondContact O-N 3.21Å
161V96Very high93.2Very high0 Ų065 Ų650%037%0.369CS..Hα-helixtrans-79.2-34.1177.5172.40000112.6Q157 A158 D159 R172 V174 V176 T231 L236 L260Q157-V161 WeakPolarHBondContact O-CG2 3.26Å; Q157-V161 PolarHBondContact O-N 2.84Å; Q157-V161 VanDerWaalsContact O-N 3.16Å; A158-V161 PolarHBondContact O-N 3.08Å; D159-V161 PolarHBondContact O-N 3Å; V161-R172 PolarHBondContact O-NH1 3.44Å; V161-V174 HydrophobicContact CG2-CG1 4.42Å; V161-V176 HydrophobicContact CG2-CG2 4.14Å; V161-T231 HydrophobicContact CG1-CG2 3.36Å; V161-L236 HydrophobicContact CB-CD2 4.21Å; V161-L236 HydrophobicContact CG1-CD1 3.93Å; V161-L236 HydrophobicContact CG1-CD2 3.72Å; V161-L260 HydrophobicContact CG2-CD1 3.55Å
162R95Very high92.8Very high121 Ų12168.6 Ų68.646%0.45738%0.382SS..Hα-helixtrans-69-44178.2-170.1-173.2-52.2-72.9-6.4112A158 D159 L236A158-R162 WeakPolarHBondContact O-CB 3.12Å; A158-R162 PolarHBondContact O-N 3.28Å; D159-R162 PolarHBondContact O-N 3.11Å; D159-R162 IonicContact OD1-NE 2.84Å; D159-R162 PolarHBondContact OD1-NE 2.91Å; R162-L236 PolarHBondContact NH2-O 2.85Å
163N95.3Very high92.8Very high123 Ų12363.2 Ų63.266%0.65836%0.357SS*.SBendtrans-97.29.8-171.4-55.2-28.6000112.9D159D159-N163 VanDerWaalsContact O-CB 3.27Å; D159-N163 WeakPolarHBondContact O-CB 3.49Å; D159-N163 VanDerWaalsContact O-CG 3.31Å; D159-N163 PolarHBondContact O-N 2.87Å; D159-N163 PolarHBondContact O-ND2 3.08Å
164A95.3Very high92.8Very high15 Ų1563.2 Ų63.212%0.12436%0.358CS..PPolyproline II helixtrans-69.7132.517700000111.9Q160 R172 V174Q160-A164 WeakPolarHBondContact O-CB 3.42Å; Q160-A164 PolarHBondContact O-N 3.21Å; A164-R172 HydrophobicContact CB-CB 4.02Å; A164-V174 HydrophobicContact CB-CB 3.8Å; A164-V174 HydrophobicContact CB-CG2 4.08Å
165S93.8Very high92.8Very high75 Ų7560.6 Ų60.652%0.52434%0.341SS..PPolyproline II helixtrans-59.9149.817254.70000112.1R172 S173S165-R172 CarbonylContact O-C 3.54Å; S165-R172 WeakPolarHBondContact O-CA 3.43Å; S165-S173 PolarHBondContact N-OG 2.93Å; S165-S173 WeakPolarHBondContact O-CB 3.34Å; S165-S173 PolarHBondContact O-N 2.98Å; S165-S173 PolarHBondContact O-OG 3.39Å; S165-S173 VanDerWaalsContact O-OG 3.12Å; S165-S173 WeakPolarHBondContact OG-CB 3.46Å; S165-S173 PolarHBondContact OG-OG 2.89Å
166E91.9Very high92.8Very high113 Ų11355.9 Ų55.953%0.52831%0.31SS..EExtended strand (participates in β ladder)trans-80.3134168.6-57.2-150.616200110.5G170E166-G170 PolarHBondContact OE2-N 3.39Å; E166-G170 VanDerWaalsContact OE2-N 3.11Å
167L87.9Confident92.8Very high51 Ų5152.3 Ų52.327%0.26729%0.285SS..EExtended strand (participates in β ladder)trans-87-34171.3-61.7177.5000111.1I171 V263 T265L167-I171 PolarHBondContact N-O 2.8Å; L167-V263 HydrophobicContact CD1-CB 3.96Å; L167-V263 HydrophobicContact CD1-CG1 3.9Å; L167-T265 HydrophobicContact CB-CG2 4.32Å; L167-T265 HydrophobicContact CD1-CG2 4.39Å; L167-T265 HydrophobicContact CD2-CG2 4.39Å
168R84.8Confident92.8Very high126 Ų12651.5 Ų51.548%0.47528%0.281SS..EExtended strand (participates in β ladder)trans-152162.2173.9-71.4-174.5-74.2-109.8-4.2107G170 I171 E343R168-G170 PolarHBondContact O-N 2.71Å; R168-G170 VanDerWaalsContact O-N 3.09Å; R168-I171 HydrophobicContact CB-CB 4.35Å; R168-I171 HydrophobicContact CB-CD1 4.38Å; R168-I171 PolarHBondContact O-N 3.04Å; R168-E343 IonicContact CZ-OE1 2.67Å; R168-E343 IonicContact NH1-OE1 3.21Å; R168-E343 PolarHBondContact NH1-OE1 3.27Å; R168-E343 IonicContact NH1-OE2 2.68Å; R168-E343 IonicContact NH2-OE1 2.77Å; R168-E343 PolarHBondContact NH2-OE1 3.38Å
169A81.9Confident92.9Very high97 Ų9752 Ų5280%0.80228%0.283SS*.THydrogen-bonded Turntrans-46.7117.5177.200000112I171A169-I171 VanDerWaalsContact C-N 3.29Å; A169-I171 PolarHBondContact O-N 3.24Å
170G77.9Confident92.8Very high65 Ų6548.7 Ų48.767%0.6727%0.265SS*.THydrogen-bonded Turntrans74.95.218000000116.2E166 R168E166-G170 PolarHBondContact OE2-N 3.39Å; E166-G170 VanDerWaalsContact OE2-N 3.11Å; R168-G170 PolarHBondContact O-N 2.71Å; R168-G170 VanDerWaalsContact O-N 3.09Å
171I83.9Confident92.8Very high58 Ų5846 Ų4630%0.29725%0.252SS..EExtended strand (participates in β ladder)trans-118.5102.7178.7-57.7-179000109.4L167 R168 A169L167-I171 PolarHBondContact N-O 2.8Å; R168-I171 HydrophobicContact CB-CB 4.35Å; R168-I171 HydrophobicContact CB-CD1 4.38Å; R168-I171 PolarHBondContact O-N 3.04Å; A169-I171 VanDerWaalsContact C-N 3.29Å; A169-I171 PolarHBondContact O-N 3.24Å
172R91.1Very high92.7Very high87 Ų8749.1 Ų49.133%0.32827%0.265SS..EExtended strand (participates in β ladder)trans-78.6154177.9-66.1-172.8-172165.45.4113.3V161 A164 S165 Q175V161-R172 PolarHBondContact O-NH1 3.44Å; A164-R172 HydrophobicContact CB-CB 4.02Å; S165-R172 CarbonylContact O-C 3.54Å; S165-R172 WeakPolarHBondContact O-CA 3.43Å; R172-Q175 WeakPolarHBondContact O-CG 3.29Å; R172-Q175 PolarHBondContact O-NE2 3.18Å
173S95.8Very high92.6Very high6 Ų643.7 Ų43.74%0.04225%0.245CC..SBendtrans-77.7-15.7178.764.60000114.3S165 R262 V263S165-S173 PolarHBondContact N-OG 2.93Å; S165-S173 WeakPolarHBondContact O-CB 3.34Å; S165-S173 PolarHBondContact O-N 2.98Å; S165-S173 PolarHBondContact O-OG 3.39Å; S165-S173 VanDerWaalsContact O-OG 3.12Å; S165-S173 WeakPolarHBondContact OG-CB 3.46Å; S165-S173 PolarHBondContact OG-OG 2.89Å; S173-R262 CarbonylContact O-C 3.57Å; S173-R262 WeakPolarHBondContact O-CA 3.35Å; S173-V263 PolarHBondContact O-N 3.02Å
174V97.8Very high92.2Very high5 Ų541 Ų413%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-122133.5165.7-174.40000108.1L127 V161 A164 L260 V261L127-V174 HydrophobicContact CD1-CG1 4.03Å; L127-V174 HydrophobicContact CD1-CG2 4.49Å; V161-V174 HydrophobicContact CG2-CG1 4.42Å; A164-V174 HydrophobicContact CB-CB 3.8Å; A164-V174 HydrophobicContact CB-CG2 4.08Å; V174-L260 HydrophobicContact CG1-CD1 3.69Å; V174-L260 HydrophobicContact CG1-CG 4.15Å; V174-V261 WeakPolarHBondContact CA-O 3.33Å
175Q97.3Very high91.4Very high8 Ų842.7 Ų42.74%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-140.1156.6-175.7-64.9-179.817.100110R172 V177 N229 T231 V261 V263R172-Q175 WeakPolarHBondContact O-CG 3.29Å; R172-Q175 PolarHBondContact O-NE2 3.18Å; Q175-V177 HydrophobicContact CB-CG1 4.31Å; Q175-N229 PolarHBondContact OE1-ND2 3.28Å; Q175-T231 WeakPolarHBondContact CA-OG1 3.32Å; Q175-T231 WeakPolarHBondContact CB-OG1 3.33Å; Q175-V261 HydrophobicContact CB-CG2 4.18Å; Q175-V261 PolarHBondContact N-O 3.28Å; Q175-V261 WeakPolarHBondContact O-CG2 3.4Å; Q175-V261 PolarHBondContact O-N 2.91Å; Q175-V263 HydrophobicContact CB-CG2 4.23Å; Q175-V263 HydrophobicContact CG-CG2 3.93Å
176V98Very high91Very high0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-98.9123.6160.6179.40000108.1L130 F151 V161 I230 T231 L234 V258 Y259 L260L130-V176 HydrophobicContact CD1-CB 4.48Å; L130-V176 HydrophobicContact CD1-CG1 3.77Å; L130-V176 HydrophobicContact CD1-CG2 3.87Å; F151-V176 HydrophobicContact CZ-CG1 4.25Å; V161-V176 HydrophobicContact CG2-CG2 4.14Å; V176-I230 HydrophobicContact CB-CG1 4.3Å; V176-I230 HydrophobicContact CG1-CD1 3.94Å; V176-I230 HydrophobicContact CG1-CG1 3.82Å; V176-I230 WeakPolarHBondContact O-CG1 3.46Å; V176-I230 PolarHBondContact O-N 2.77Å; V176-T231 PolarHBondContact N-OG1 3.04Å; V176-T231 PolarHBondContact O-N 3.15Å; V176-T231 PolarHBondContact O-OG1 3.33Å; V176-L234 HydrophobicContact CB-CD1 3.56Å; V176-L234 HydrophobicContact CG1-CD1 3.84Å; V176-L234 HydrophobicContact CG2-CD1 3.67Å; V176-V258 HydrophobicContact CG1-CG1 3.47Å; V176-V258 VanDerWaalsContact CG1-CG1 3.47Å; V176-Y259 WeakPolarHBondContact CA-O 3.48Å; V176-L260 HydrophobicContact CG2-CD1 3.89Å
177V97.8Very high90.7Very high1 Ų142.5 Ų42.51%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-119.6140.4179.9-60.30000111.3Y124 Q175 P227 I228 V258 Y259 V261Y124-V177 HydrophobicContact CD1-CG1 4.49Å; Y124-V177 HydrophobicContact CE1-CG1 4.26Å; Q175-V177 HydrophobicContact CB-CG1 4.31Å; V177-P227 HydrophobicContact CB-CB 3.83Å; V177-P227 HydrophobicContact CG1-CB 4.15Å; V177-P227 HydrophobicContact CG2-CB 4.02Å; V177-I228 CarbonylContact C-O 3.55Å; V177-I228 WeakPolarHBondContact CA-O 3.41Å; V177-V258 WeakPolarHBondContact O-CA 3.31Å; V177-Y259 PolarHBondContact N-O 3.45Å; V177-Y259 PolarHBondContact O-N 2.92Å; V177-V261 HydrophobicContact CB-CG2 4.26Å; V177-V261 HydrophobicContact CG1-CG2 3.62Å; V177-V261 HydrophobicContact CG2-CB 4.34Å; V177-V261 HydrophobicContact CG2-CG1 3.64Å; V177-V261 HydrophobicContact CG2-CG2 3.66Å
178L98Very high90.8Very high0 Ų044.5 Ų44.50%026%0.263CS..EExtended strand (participates in β ladder)trans-97.8130.8170-178.7148000108.9I180 V199 I228 I230 V243 I245 V256 A257 V258L178-I180 HydrophobicContact CD2-CD1 3.8Å; L178-I180 HydrophobicContact CD2-CG1 3.76Å; L178-V199 HydrophobicContact CD1-CG1 4.38Å; L178-I228 HydrophobicContact CB-CB 4.48Å; L178-I228 HydrophobicContact CD2-CD1 4.11Å; L178-I228 PolarHBondContact N-O 2.72Å; L178-I228 PolarHBondContact O-N 2.94Å; L178-I230 HydrophobicContact CB-CD1 4.29Å; L178-I230 HydrophobicContact CB-CG2 3.91Å; L178-V243 HydrophobicContact CD1-CG1 3.68Å; L178-I245 HydrophobicContact CD1-CD1 4.37Å; L178-V256 HydrophobicContact CD1-CG2 3.87Å; L178-V256 HydrophobicContact CD2-CG2 4.02Å; L178-V256 HydrophobicContact CG-CG2 3.71Å; L178-A257 WeakPolarHBondContact CA-O 3.32Å; L178-V258 HydrophobicContact CB-CG2 4.49Å; L178-V258 HydrophobicContact CD1-CG2 4.31Å; L178-V258 HydrophobicContact CG-CG2 4.42Å
179R97.6Very high91.2Very high14 Ų1439.5 Ų39.55%0.05325%0.245CC..EExtended strand (participates in β ladder)trans-122.7144.1175.1-62.4-179.270.8-169.42109.2L118 V119 D191 P227 V256 A257 Y259L118-R179 HydrophobicContact CD2-CB 3.46Å; L118-R179 VanDerWaalsContact CD2-CB 3.46Å; L118-R179 HydrophobicContact CD2-CG 4.38Å; V119-R179 PolarHBondContact O-NH1 3.15Å; V119-R179 PolarHBondContact O-NH2 3.38Å; R179-D191 WeakPolarHBondContact CB-OD1 3.49Å; R179-D191 WeakPolarHBondContact CG-OD1 3.5Å; R179-D191 IonicContact CZ-OD1 3.4Å; R179-D191 IonicContact CZ-OD2 3.98Å; R179-D191 IonicContact NE-OD1 3.32Å; R179-D191 PolarHBondContact NE-OD1 3.08Å; R179-D191 IonicContact NE-OD2 2.7Å; R179-D191 PolarHBondContact NE-OD2 3.32Å; R179-D191 IonicContact NH2-OD1 2.69Å; R179-D191 IonicContact NH2-OD2 3.15Å; R179-D191 PolarHBondContact NH2-OD2 3.31Å; R179-P227 HydrophobicContact CG-CB 3.9Å; R179-P227 HydrophobicContact CG-CG 3.98Å; R179-V256 WeakPolarHBondContact O-CA 3.45Å; R179-A257 PolarHBondContact N-O 3.24Å; R179-A257 PolarHBondContact O-N 3.26Å; R179-Y259 HydrophobicContact CB-CE2 4.43Å; R179-Y259 HydrophobicContact CG-CD2 4.31Å; R179-Y259 HydrophobicContact CG-CE2 4.48Å
180I96.4Very high91.7Very high0 Ų041.5 Ų41.50%024%0.238CC..EExtended strand (participates in β ladder)trans-129.1140.3175.4-59.2160.9000107.6L136 L178 D191 Q192 Y193 I197 I245 Y254 S255 V256L136-I180 HydrophobicContact CD1-CG2 4.45Å; L178-I180 HydrophobicContact CD2-CD1 3.8Å; L178-I180 HydrophobicContact CD2-CG1 3.76Å; I180-D191 CarbonylContact O-C 3.57Å; I180-D191 WeakPolarHBondContact O-CA 3.46Å; I180-Q192 CarbonylContact C-O 3.55Å; I180-Q192 PolarHBondContact O-N 3.41Å; I180-Y193 HydrophobicContact CB-CD1 4.43Å; I180-I197 HydrophobicContact CD1-CD1 3.51Å; I180-I245 HydrophobicContact CD1-CD1 4.39Å; I180-I245 HydrophobicContact CD1-CG2 4.31Å; I180-Y254 HydrophobicContact CG2-CD1 4.25Å; I180-S255 WeakPolarHBondContact CA-O 3.28Å; I180-V256 HydrophobicContact CG1-CB 4.11Å; I180-V256 HydrophobicContact CG1-CG2 4.03Å
181C95.6Very high92.5Very high0 Ų039.1 Ų39.10%021%0.21CC..EExtended strand (participates in β ladder)trans-143.7178.8-179.163.10000109.8L118 Q189 E190 Y254 S255L118-C181 HydrophobicContact CD2-CB 3.93Å; L118-C181 HydrophobicContact CG-CB 3.94Å; C181-Q189 HydrophobicContact CB-CB 3.78Å; C181-E190 VanDerWaalsContact CB-O 3.27Å; C181-E190 WeakPolarHBondContact CB-O 3.37Å; C181-Y254 CarbonylContact O-C 3.57Å; C181-Y254 VanDerWaalsContact O-CA 3.23Å; C181-Y254 WeakPolarHBondContact O-CA 3.32Å; C181-S255 PolarHBondContact N-O 3.21Å; C181-S255 PolarHBondContact O-N 3.45Å
182Y94.2Very high93Very high66 Ų6638.7 Ų38.726%0.25921%0.207SC..EExtended strand (participates in β ladder)trans-72.7146.8170.5-66-56.7000111.9D184 Q192 K252 R253 Y254Y182-D184 PolarHBondContact O-N 3.37Å; Y182-Q192 HydrophobicContact CD2-CG 4.35Å; Y182-Q192 HydrophobicContact CE1-CG 3.93Å; Y182-Q192 HydrophobicContact CE2-CB 4.32Å; Y182-Q192 HydrophobicContact CE2-CG 3.74Å; Y182-K252 HydrophobicContact CD1-CD 4.41Å; Y182-K252 HydrophobicContact CE1-CB 4.25Å; Y182-K252 HydrophobicContact CE1-CD 3.5Å; Y182-K252 HydrophobicContact CE1-CG 4.47Å; Y182-K252 PolarHBondContact OH-NZ 2.9Å; Y182-R253 WeakPolarHBondContact CA-O 3.48Å; Y182-Y254 HydrophobicContact CD1-CD1 4.01Å; Y182-Y254 AromaticContact CD1-CE1 3.63Å; Y182-Y254 HydrophobicContact CD1-CE1 3.63Å; Y182-Y254 HydrophobicContact CE1-CD1 4.36Å; Y182-Y254 AromaticContact CE1-CE1 3.53Å; Y182-Y254 HydrophobicContact CE1-CE1 3.53Å; Y182-Y254 AromaticContact CE1-CZ 3.67Å
183S92.7Very high93.1Very high7 Ų734.8 Ų34.85%0.04919%0.192CC..  trans-79.549.6172.3-48.80000112.2R253 Y254 S255S183-R253 PolarHBondContact N-O 2.94Å; S183-R253 PolarHBondContact O-NH2 3.01Å; S183-Y254 WeakPolarHBondContact OG-CA 3.22Å; S183-Y254 PolarHBondContact OG-N 3.21Å; S183-Y254 VanDerWaalsContact OG-N 3.12Å; S183-Y254 PolarHBondContact OG-O 3.02Å; S183-Y254 VanDerWaalsContact OG-O 3.12Å; S183-S255 WeakPolarHBondContact CB-OG 3.31Å; S183-S255 PolarHBondContact OG-N 3.02Å; S183-S255 PolarHBondContact OG-OG 2.79Å
184D87Confident93Very high66 Ų6634.7 Ų34.735%0.35319%0.191SC..  trans-97.7115.8171.8179.62000109.2Y182 I186 Q189Y182-D184 PolarHBondContact O-N 3.37Å; D184-I186 PolarHBondContact O-N 3.35Å; D184-I186 WeakPolarHBondContact OD1-CB 3.31Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.28Å; D184-I186 PolarHBondContact OD1-N 2.83Å; D184-Q189 PolarHBondContact O-NE2 2.95Å
185P79.1Confident92.5Very high51 Ų5136.5 Ų36.533%0.33120%0.203SC..  trans-74.4-1.8-179.833.7-38.3000113.7T114T114-P185 WeakPolarHBondContact O-CB 3.34Å
186I84.6Confident92.1Very high130 Ų13040.4 Ų40.467%0.66722%0.224SC*.SBendtrans-92112.8-178.8-56178.5000110.4D184 Q189D184-I186 PolarHBondContact O-N 3.35Å; D184-I186 WeakPolarHBondContact OD1-CB 3.31Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.28Å; D184-I186 PolarHBondContact OD1-N 2.83Å; I186-Q189 PolarHBondContact O-NE2 2.93Å; I186-Q189 VanDerWaalsContact O-NE2 3.13Å
187G84.8Confident91.9Very high55 Ų5540.9 Ų40.957%0.56723%0.227SC*.SBendtrans81.1-145.917100000114.4
188V90.4Very high91.7Very high93 Ų9342.4 Ų42.456%0.56424%0.239SC*.EExtended strand (participates in β ladder)trans-114.9136.7174.8-67.40000110.4R117R117-V188 HydrophobicContact CB-CG1 4.19Å; R117-V188 CarbonylContact O-C 3.54Å; R117-V188 VanDerWaalsContact O-CA 3.3Å; R117-V188 WeakPolarHBondContact O-CA 3.14Å
189Q93.8Very high91.6Very high21 Ų2142.5 Ų42.510%0.09824%0.24CC..EExtended strand (participates in β ladder)trans-101.8138.3-174.1-58.8-60.4-37.500111.2V116 R117 L118 V119 C181 D184 I186V116-Q189 HydrophobicContact CG1-CG 4.06Å; R117-Q189 PolarHBondContact O-N 3.21Å; L118-Q189 CarbonylContact C-O 3.48Å; L118-Q189 WeakPolarHBondContact CA-O 3.44Å; V119-Q189 PolarHBondContact N-O 2.92Å; C181-Q189 HydrophobicContact CB-CB 3.78Å; D184-Q189 PolarHBondContact O-NE2 2.95Å; I186-Q189 PolarHBondContact O-NE2 2.93Å; I186-Q189 VanDerWaalsContact O-NE2 3.13Å
190E92.9Very high91.5Very high139 Ų13944.2 Ų44.265%0.6525%0.248SC*.PPolyproline II helixtrans-73.4159.3170.8-62.4-169.9153.200111.2C181 Q192C181-E190 VanDerWaalsContact CB-O 3.27Å; C181-E190 WeakPolarHBondContact CB-O 3.37Å; E190-Q192 PolarHBondContact O-N 2.82Å
191D94.6Very high91.6Very high14 Ų1444.2 Ų44.28%0.07525%0.248CC..PPolyproline II helixtrans-60.9122.2166.3-63.5-97.3000109R179 I180 C225R179-D191 WeakPolarHBondContact CB-OD1 3.49Å; R179-D191 WeakPolarHBondContact CG-OD1 3.5Å; R179-D191 IonicContact CZ-OD1 3.4Å; R179-D191 IonicContact CZ-OD2 3.98Å; R179-D191 IonicContact NE-OD1 3.32Å; R179-D191 PolarHBondContact NE-OD1 3.08Å; R179-D191 IonicContact NE-OD2 2.7Å; R179-D191 PolarHBondContact NE-OD2 3.32Å; R179-D191 IonicContact NH2-OD1 2.69Å; R179-D191 IonicContact NH2-OD2 3.15Å; R179-D191 PolarHBondContact NH2-OD2 3.31Å; I180-D191 CarbonylContact O-C 3.57Å; I180-D191 WeakPolarHBondContact O-CA 3.46Å; D191-C225 HydrophobicContact CB-CB 4.24Å; D191-C225 WeakPolarHBondContact O-CB 3.06Å
192Q93.6Very high91.6Very high49 Ų4945.4 Ų45.423%0.22925%0.254CS..  trans-149.7110.7179.9-179.253.47600109.5I180 Y182 E190 Y254I180-Q192 CarbonylContact C-O 3.55Å; I180-Q192 PolarHBondContact O-N 3.41Å; Y182-Q192 HydrophobicContact CD2-CG 4.35Å; Y182-Q192 HydrophobicContact CE1-CG 3.93Å; Y182-Q192 HydrophobicContact CE2-CB 4.32Å; Y182-Q192 HydrophobicContact CE2-CG 3.74Å; E190-Q192 PolarHBondContact O-N 2.82Å; Q192-Y254 HydrophobicContact CG-CE1 4.31Å
193Y93.4Very high91.4Very high6 Ų649.8 Ų49.82%0.02428%0.277CS..PPolyproline II helixtrans-74.2152.9177.1-51.5-32.1000111.7I180 I197 V208 R223 C225 R226 I228 Y254I180-Y193 HydrophobicContact CB-CD1 4.43Å; Y193-I197 HydrophobicContact CD1-CD1 3.99Å; Y193-I197 HydrophobicContact CD2-CD1 4.43Å; Y193-I197 HydrophobicContact CD2-CG2 4.01Å; Y193-I197 HydrophobicContact CG-CD1 3.87Å; Y193-I197 HydrophobicContact CG-CG2 4.17Å; Y193-V208 HydrophobicContact CD2-CG1 4.12Å; Y193-V208 HydrophobicContact CE2-CG1 3.73Å; Y193-R223 HydrophobicContact CD2-CG 4.44Å; Y193-C225 HydrophobicContact CD1-CB 4.32Å; Y193-C225 HydrophobicContact CD2-CB 4.3Å; Y193-C225 HydrophobicContact CE1-CB 4.37Å; Y193-C225 HydrophobicContact CE2-CB 4.36Å; Y193-C225 HydrophobicContact CG-CB 4.28Å; Y193-C225 PolarHBondContact N-SG 3.27Å; Y193-R226 WeakPolarHBondContact CE1-O 3.42Å; Y193-R226 PolarHBondContact OH-N 3.26Å; Y193-R226 VanDerWaalsContact OH-N 3.15Å; Y193-R226 PolarHBondContact OH-O 3.28Å; Y193-I228 HydrophobicContact CE1-CD1 3.89Å; Y193-I228 HydrophobicContact CE1-CG1 4.12Å; Y193-I228 WeakPolarHBondContact OH-CG1 3.27Å; Y193-Y254 WeakPolarHBondContact O-CE1 3.38Å
194P92.7Very high91.4Very high4 Ų452.1 Ų52.13%0.02629%0.293CS..PPolyproline II helixtrans-69.4161.716330.1-36.3000112.5I197 W247 Y254P194-I197 HydrophobicContact CG-CB 4.41Å; P194-W247 HydrophobicContact CB-CB 3.83Å; P194-W247 HydrophobicContact CB-CD2 4.25Å; P194-W247 HydrophobicContact CB-CE3 3.75Å; P194-W247 HydrophobicContact CB-CG 4.35Å; P194-W247 HydrophobicContact CG-CB 3.44Å; P194-W247 VanDerWaalsContact CG-CB 3.44Å; P194-W247 HydrophobicContact CG-CD2 4.33Å; P194-W247 HydrophobicContact CG-CE3 4.31Å; P194-W247 HydrophobicContact CG-CG 4.04Å; P194-Y254 VanDerWaalsContact CA-CZ 3.5Å; P194-Y254 HydrophobicContact CB-CD1 4.21Å; P194-Y254 HydrophobicContact CB-CD2 3.81Å; P194-Y254 HydrophobicContact CB-CE1 4.12Å; P194-Y254 HydrophobicContact CB-CE2 3.72Å; P194-Y254 HydrophobicContact CB-CG 4.06Å
195P88.7Confident91.7Very high42 Ų4256.6 Ų56.627%0.27331%0.306SS..THydrogen-bonded Turntrans-56.7149.9170.2-25.637.1000112.4I197 G248 F250P195-I197 PolarHBondContact O-N 3.24Å; P195-I197 VanDerWaalsContact O-N 3.12Å; P195-G248 PolarHBondContact O-N 3.33Å; P195-F250 HydrophobicContact CB-CD2 3.73Å; P195-F250 HydrophobicContact CB-CE2 3.82Å; P195-F250 HydrophobicContact CG-CD2 3.66Å; P195-F250 HydrophobicContact CG-CE2 4.27Å; P195-F250 HydrophobicContact CG-CG 4.37Å
196N88.1Confident92.2Very high90 Ų9054.7 Ų54.748%0.48129%0.294SS..THydrogen-bonded Turntrans54.527.6177-56.7-21.3000115.1L144 A198L144-N196 HydrophobicContact CD1-CB 3.54Å; N196-A198 PolarHBondContact O-N 3.35Å
197I93.1Very high92.3Very high11 Ų1155.5 Ų55.56%0.05630%0.295CS..  trans-56.5127.4179.7-178.7170.7000113.2I180 Y193 P194 P195 V199 V208 I228 T246I180-I197 HydrophobicContact CD1-CD1 3.51Å; Y193-I197 HydrophobicContact CD1-CD1 3.99Å; Y193-I197 HydrophobicContact CD2-CD1 4.43Å; Y193-I197 HydrophobicContact CD2-CG2 4.01Å; Y193-I197 HydrophobicContact CG-CD1 3.87Å; Y193-I197 HydrophobicContact CG-CG2 4.17Å; P194-I197 HydrophobicContact CG-CB 4.41Å; P195-I197 PolarHBondContact O-N 3.24Å; P195-I197 VanDerWaalsContact O-N 3.12Å; I197-V199 HydrophobicContact CD1-CG2 3.96Å; I197-V199 HydrophobicContact CG1-CG2 4.06Å; I197-V208 HydrophobicContact CD1-CG1 4.36Å; I197-V208 HydrophobicContact CG1-CG1 4.46Å; I197-V208 HydrophobicContact CG2-CG1 4.02Å; I197-I228 HydrophobicContact CD1-CD1 4.33Å; I197-T246 CarbonylContact C-O 3.57Å; I197-T246 VanDerWaalsContact CA-O 3.31Å; I197-T246 WeakPolarHBondContact CA-O 3.42Å
198A93.6Very high92.4Very high33 Ų3353.8 Ų53.827%0.27327%0.273SS..EExtended strand (participates in β ladder)trans-126.5151.7154.700000109.6N196 T246N196-A198 PolarHBondContact O-N 3.35Å; A198-T246 PolarHBondContact N-O 2.9Å; A198-T246 PolarHBondContact O-N 3.22Å
199V96.2Very high91.9Very high1 Ų150.7 Ų50.71%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-129.1128.6177.9179.30000108.6L178 I197 V201 C206 V208 I228 V243 I245L178-V199 HydrophobicContact CD1-CG1 4.38Å; I197-V199 HydrophobicContact CD1-CG2 3.96Å; I197-V199 HydrophobicContact CG1-CG2 4.06Å; V199-V201 HydrophobicContact CG1-CG2 4.29Å; V199-C206 HydrophobicContact CB-CB 4.25Å; V199-C206 HydrophobicContact CG1-CB 4.28Å; V199-C206 PolarHBondContact O-N 2.93Å; V199-V208 HydrophobicContact CB-CG2 4.12Å; V199-V208 HydrophobicContact CG2-CG2 3.98Å; V199-I228 HydrophobicContact CG2-CD1 3.96Å; V199-V243 HydrophobicContact CG1-CG1 4.05Å; V199-I245 HydrophobicContact CG2-CG1 4.5Å
200K96.8Very high91.1Very high51 Ų5151.8 Ų51.822%0.22227%0.272CS..EExtended strand (participates in β ladder)trans-119.5131.6174.3-175.3-170.4172.7-164.20108.9N202 Q203 S204 Y205 V243 T244K200-N202 WeakPolarHBondContact CE-O 3.37Å; K200-Q203 VanDerWaalsContact CE-C 3.42Å; K200-Q203 VanDerWaalsContact CE-CA 3.49Å; K200-Q203 WeakPolarHBondContact CE-O 3.27Å; K200-S204 CarbonylContact C-O 3.56Å; K200-S204 WeakPolarHBondContact CA-O 3.21Å; K200-S204 WeakPolarHBondContact CG-O 3.42Å; K200-Y205 HydrophobicContact CB-CD1 3.96Å; K200-Y205 HydrophobicContact CB-CE1 3.98Å; K200-Y205 HydrophobicContact CG-CD1 4.46Å; K200-Y205 HydrophobicContact CG-CE1 4.49Å; K200-V243 WeakPolarHBondContact O-CA 3.45Å; K200-T244 PolarHBondContact N-O 3.13Å; K200-T244 PolarHBondContact O-N 3.4Å
201V97.4Very high90.4Very high0 Ų050.5 Ų50.50%026%0.262CS..EExtended strand (participates in β ladder)trans-120.4124178.1173.30000108.5V199 Q203 S204 C206 I230 W233 L234 V243V199-V201 HydrophobicContact CG1-CG2 4.29Å; V201-Q203 PolarHBondContact O-N 3.11Å; V201-S204 PolarHBondContact N-O 3.05Å; V201-S204 PolarHBondContact O-N 3.26Å; V201-C206 WeakPolarHBondContact CG2-SG 3.33Å; V201-I230 HydrophobicContact CG2-CB 4Å; V201-I230 HydrophobicContact CG2-CD1 4.46Å; V201-I230 HydrophobicContact CG2-CG2 3.84Å; V201-W233 HydrophobicContact CB-CB 3.96Å; V201-W233 HydrophobicContact CG1-CB 3.83Å; V201-L234 HydrophobicContact CG1-CD2 3.71Å; V201-V243 HydrophobicContact CG2-CG1 4.04Å; V201-V243 HydrophobicContact CG2-CG2 4.2Å
202N96.2Very high89.3Confident25 Ų2553.8 Ų53.813%0.13427%0.274CS..THydrogen-bonded Turntrans50.4-102.1-167.1-61.7-49.7000111K200 W233 H235 N241 R242K200-N202 WeakPolarHBondContact CE-O 3.37Å; N202-W233 PolarHBondContact ND2-O 3.4Å; N202-H235 PolarHBondContact OD1-CE1 2.74Å; N202-N241 PolarHBondContact ND2-OD1 2.88Å; N202-N241 WeakPolarHBondContact OD1-CA 3.48Å; N202-R242 PolarHBondContact N-O 2.91Å; N202-R242 PolarHBondContact OD1-N 3.15Å
203Q89.6Confident88Confident157 Ų15756.9 Ų56.973%0.73430%0.298SS*.THydrogen-bonded Turntrans-109.3-1.8177.8-65.7-71.241.800115.1K200 V201K200-Q203 VanDerWaalsContact CE-C 3.42Å; K200-Q203 VanDerWaalsContact CE-CA 3.49Å; K200-Q203 WeakPolarHBondContact CE-O 3.27Å; V201-Q203 PolarHBondContact O-N 3.11Å
204S93.7Very high86.7Confident56 Ų5659 Ų5939%0.39231%0.313SS..EExtended strand (participates in β ladder)trans-116.4142.9-170.5-61.80000112.7K200 V201K200-S204 CarbonylContact C-O 3.56Å; K200-S204 WeakPolarHBondContact CA-O 3.21Å; K200-S204 WeakPolarHBondContact CG-O 3.42Å; V201-S204 PolarHBondContact N-O 3.05Å; V201-S204 PolarHBondContact O-N 3.26Å
205Y91.9Very high85.5Confident160 Ų16066.1 Ų66.163%0.62735%0.351SS*.EExtended strand (participates in β ladder)trans-76.9138.4172.4-75.9-77.2000111.6K200K200-Y205 HydrophobicContact CB-CD1 3.96Å; K200-Y205 HydrophobicContact CB-CE1 3.98Å; K200-Y205 HydrophobicContact CG-CD1 4.46Å; K200-Y205 HydrophobicContact CG-CE1 4.49Å
206C91.1Very high84.6Confident12 Ų1271.1 Ų71.18%0.08137%0.369CS..  trans-89.2144.8175.7-56.40000110.8V199 V201 V208 I228 W233V199-C206 HydrophobicContact CB-CB 4.25Å; V199-C206 HydrophobicContact CG1-CB 4.28Å; V199-C206 PolarHBondContact O-N 2.93Å; V201-C206 WeakPolarHBondContact CG2-SG 3.33Å; C206-V208 PolarHBondContact O-N 3.48Å; C206-I228 HydrophobicContact CB-CG2 4.23Å; C206-W233 HydrophobicContact CB-CE3 4.03Å; C206-W233 HydrophobicContact CB-CH2 4.05Å; C206-W233 HydrophobicContact CB-CZ3 3.6Å; C206-W233 VanDerWaalsContact SG-CZ3 3.54Å
207H85.9Confident83.6Confident147 Ų14773.1 Ų73.168%0.68139%0.387SS*.  trans-70.798.5170.4174.9-80.6000110.6
208V86.4Confident82.6Confident19 Ų1977 Ų7712%0.11543%0.429CS..PPolyproline II helixtrans-82.3128.6168.4-170.20000108.6Y193 I197 V199 C206 G210 I228Y193-V208 HydrophobicContact CD2-CG1 4.12Å; Y193-V208 HydrophobicContact CE2-CG1 3.73Å; I197-V208 HydrophobicContact CD1-CG1 4.36Å; I197-V208 HydrophobicContact CG1-CG1 4.46Å; I197-V208 HydrophobicContact CG2-CG1 4.02Å; V199-V208 HydrophobicContact CB-CG2 4.12Å; V199-V208 HydrophobicContact CG2-CG2 3.98Å; C206-V208 PolarHBondContact O-N 3.48Å; V208-G210 PolarHBondContact O-N 2.7Å; V208-I228 HydrophobicContact CG1-CD1 4.08Å; V208-I228 HydrophobicContact CG2-CD1 4.18Å
209P80.5Confident81.5Confident27 Ų2779.2 Ų79.218%0.17544%0.439CS..PPolyproline II helixtrans-50.4130.2-180-28.935.1000113.5R223 P224P209-R223 WeakPolarHBondContact O-CD 3.47Å; P209-R223 WeakPolarHBondContact O-CG 3.33Å; P209-R223 PolarHBondContact O-NH1 3.17Å; P209-P224 HydrophobicContact CB-CG 3.95Å
210G76.8Confident80Confident44 Ų4487.3 Ų87.345%0.45448%0.477SS..PPolyproline II helixtrans-71.2168.217700000113.5V208 P224V208-G210 PolarHBondContact O-N 2.7Å; G210-P224 WeakPolarHBondContact O-CD 3.28Å
211Y77.3Confident78.4Confident113 Ų11387.9 Ų87.944%0.44349%0.486SS..PPolyproline II helixtrans-66144.3175.5-66.1-86.7000111.6P221 R223Y211-P221 HydrophobicContact CD1-CB 4.11Å; Y211-P221 WeakPolarHBondContact CD1-O 3.46Å; Y211-P221 HydrophobicContact CG-CB 4.27Å; Y211-R223 HydrophobicContact CD1-CB 3.66Å; Y211-R223 HydrophobicContact CD1-CG 4.42Å; Y211-R223 HydrophobicContact CE1-CB 3.81Å; Y211-R223 VanDerWaalsContact CE2-NH2 3.25Å; Y211-R223 HydrophobicContact CG-CB 4.33Å
212Y71.8Confident77.4Confident83 Ų8396.5 Ų96.533%0.32552%0.519SS..PPolyproline II helixtrans-74.8135.8165.3-68.1-53.7000109.8R222 P224 R226Y212-R222 PolarHBondContact N-O 3.33Å; Y212-P224 HydrophobicContact CD2-CG 4.3Å; Y212-P224 HydrophobicContact CE1-CG 4.29Å; Y212-P224 HydrophobicContact CE2-CB 3.63Å; Y212-P224 HydrophobicContact CE2-CG 3.66Å; Y212-R226 PolarHBondContact OH-NH2 2.71Å; Y212-R226 VanDerWaalsContact OH-NH2 3.14Å
213P67.3Low76.7Confident114 Ų11497.4 Ų97.474%0.7452%0.52SS*.PPolyproline II helixtrans-61141172.226.7-33.9000110.3
214S66.4Low76.4Confident49 Ų4990.9 Ų90.934%0.34349%0.491SS..  trans-101.6113.9-179.9-173.80000110.1K216 V219S214-K216 PolarHBondContact O-N 2.86Å; S214-K216 PolarHBondContact OG-O 3.43Å; S214-V219 WeakPolarHBondContact CB-O 3.31Å; S214-V219 PolarHBondContact OG-O 3.34Å
215N67.1Low76.2Confident154 Ų15489.6 Ų89.682%0.82448%0.482SS*.  trans-82.612.5176.5-63.313.9000112.5
216K70.2Confident76.1Confident148 Ų14884.7 Ų84.764%0.64346%0.462SS*.SBendtrans-120.8117.5179.2-71.8-169.8176.1-170.60109.8S214 G218 V219S214-K216 PolarHBondContact O-N 2.86Å; S214-K216 PolarHBondContact OG-O 3.43Å; K216-G218 PolarHBondContact O-N 3.1Å; K216-V219 HydrophobicContact CB-CB 3.94Å; K216-V219 HydrophobicContact CB-CG2 3.63Å; K216-V219 HydrophobicContact CD-CG2 4.24Å; K216-V219 PolarHBondContact O-N 2.81Å; K216-V219 VanDerWaalsContact O-N 3.15Å
217P66.8Low76.3Confident132 Ų13284.8 Ų84.886%0.85746%0.463SS*.THydrogen-bonded Turntrans-51.3138.4172.1-27.235.6000111.6V219P217-V219 PolarHBondContact O-N 3.16Å
218G71.5Confident76.7Confident92 Ų9278 Ų7895%0.94843%0.431SS*.THydrogen-bonded Turntrans73.5-6.3-179.400000116.4K216K216-G218 PolarHBondContact O-N 3.1Å
219V71.2Confident77.1Confident80 Ų8079.4 Ų79.449%0.48544%0.439SS..  trans-92.7112.6175.5179.80000109.9S214 K216 P217S214-V219 WeakPolarHBondContact CB-O 3.31Å; S214-V219 PolarHBondContact OG-O 3.34Å; K216-V219 HydrophobicContact CB-CB 3.94Å; K216-V219 HydrophobicContact CB-CG2 3.63Å; K216-V219 HydrophobicContact CD-CG2 4.24Å; K216-V219 PolarHBondContact O-N 2.81Å; K216-V219 VanDerWaalsContact O-N 3.15Å; P217-V219 PolarHBondContact O-N 3.16Å
220E63.3Low77.9Confident170 Ų17078.1 Ų78.179%0.79443%0.43SS*.PPolyproline II helixtrans-56.1136-179.7-168.7-179.8-167.600112.1R222E220-R222 PolarHBondContact O-N 3.23Å
221P64.9Low78.8Confident63 Ų6376.9 Ų76.941%0.40941%0.414SS..PPolyproline II helixtrans-56.3118.5175.9-26.836.1000112.3Y211Y211-P221 HydrophobicContact CD1-CB 4.11Å; Y211-P221 WeakPolarHBondContact CD1-O 3.46Å; Y211-P221 HydrophobicContact CG-CB 4.27Å
222R74.7Confident79.6Confident182 Ų18275.6 Ų75.669%0.68742%0.419SS*.PPolyproline II helixtrans-89.3126.1177.2-165.8175.1-179.8-161.4-2.5110.9Y212 E220Y212-R222 PolarHBondContact N-O 3.33Å; E220-R222 PolarHBondContact O-N 3.23Å
223R82Confident80.8Confident44 Ų4475.3 Ų75.317%0.16642%0.418CS..PPolyproline II helixtrans-82.2133.8174.2-164.5-177-79.3-13026.5111Y193 P209 Y211 C225Y193-R223 HydrophobicContact CD2-CG 4.44Å; P209-R223 WeakPolarHBondContact O-CD 3.47Å; P209-R223 WeakPolarHBondContact O-CG 3.33Å; P209-R223 PolarHBondContact O-NH1 3.17Å; Y211-R223 HydrophobicContact CD1-CB 3.66Å; Y211-R223 HydrophobicContact CD1-CG 4.42Å; Y211-R223 HydrophobicContact CE1-CB 3.81Å; Y211-R223 VanDerWaalsContact CE2-NH2 3.25Å; Y211-R223 HydrophobicContact CG-CB 4.33Å; R223-C225 PolarHBondContact O-N 3.06Å
224P83.3Confident82.2Confident20 Ų2070.8 Ų70.813%0.1339%0.387CS..  trans-68.7109.4167.727.8-30.2000109.8P209 G210 Y212P209-P224 HydrophobicContact CB-CG 3.95Å; G210-P224 WeakPolarHBondContact O-CD 3.28Å; Y212-P224 HydrophobicContact CD2-CG 4.3Å; Y212-P224 HydrophobicContact CE1-CG 4.29Å; Y212-P224 HydrophobicContact CE2-CB 3.63Å; Y212-P224 HydrophobicContact CE2-CG 3.66Å
225C89.6Confident83.6Confident29 Ų2972 Ų7220%0.19639%0.387CS..  trans-84.6128.7170.9-59.40000108.6D191 Y193 R223D191-C225 HydrophobicContact CB-CB 4.24Å; D191-C225 WeakPolarHBondContact O-CB 3.06Å; Y193-C225 HydrophobicContact CD1-CB 4.32Å; Y193-C225 HydrophobicContact CD2-CB 4.3Å; Y193-C225 HydrophobicContact CE1-CB 4.37Å; Y193-C225 HydrophobicContact CE2-CB 4.36Å; Y193-C225 HydrophobicContact CG-CB 4.28Å; Y193-C225 PolarHBondContact N-SG 3.27Å; R223-C225 PolarHBondContact O-N 3.06Å
226R90.2Very high85Confident56 Ų5666.6 Ų66.621%0.21136%0.358CS..  trans-155.4169.2-173.2-60.4-167.1-161.6-171.310.9109.9Y193 Y212 I228 K344 P346Y193-R226 WeakPolarHBondContact CE1-O 3.42Å; Y193-R226 PolarHBondContact OH-N 3.26Å; Y193-R226 VanDerWaalsContact OH-N 3.15Å; Y193-R226 PolarHBondContact OH-O 3.28Å; Y212-R226 PolarHBondContact OH-NH2 2.71Å; Y212-R226 VanDerWaalsContact OH-NH2 3.14Å; R226-I228 PolarHBondContact O-N 3.45Å; R226-K344 PolarHBondContact NH1-O 2.77Å; R226-K344 PolarHBondContact NH2-O 3.22Å; R226-P346 VanDerWaalsContact CZ-CD 3.46Å
227P94.9Very high86.1Confident14 Ų1461.9 Ų61.99%0.09134%0.344CS..  trans-58129.1166.4-21.332.2000111.7L121 Y124 V177 R179L121-P227 HydrophobicContact CD1-CG 3.24Å; Y124-P227 HydrophobicContact CD2-CG 4.16Å; Y124-P227 HydrophobicContact CE2-CG 4.03Å; V177-P227 HydrophobicContact CB-CB 3.83Å; V177-P227 HydrophobicContact CG1-CB 4.15Å; V177-P227 HydrophobicContact CG2-CB 4.02Å; R179-P227 HydrophobicContact CG-CB 3.9Å; R179-P227 HydrophobicContact CG-CG 3.98Å
228I95.3Very high87.3Confident4 Ų459.8 Ų59.82%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-89.9110.3174-59.5169.9000106.8V177 L178 Y193 I197 V199 C206 V208 R226 I230V177-I228 CarbonylContact C-O 3.55Å; V177-I228 WeakPolarHBondContact CA-O 3.41Å; L178-I228 HydrophobicContact CB-CB 4.48Å; L178-I228 HydrophobicContact CD2-CD1 4.11Å; L178-I228 PolarHBondContact N-O 2.72Å; L178-I228 PolarHBondContact O-N 2.94Å; Y193-I228 HydrophobicContact CE1-CD1 3.89Å; Y193-I228 HydrophobicContact CE1-CG1 4.12Å; Y193-I228 WeakPolarHBondContact OH-CG1 3.27Å; I197-I228 HydrophobicContact CD1-CD1 4.33Å; V199-I228 HydrophobicContact CG2-CD1 3.96Å; C206-I228 HydrophobicContact CB-CG2 4.23Å; V208-I228 HydrophobicContact CG1-CD1 4.08Å; V208-I228 HydrophobicContact CG2-CD1 4.18Å; R226-I228 PolarHBondContact O-N 3.45Å; I228-I230 HydrophobicContact CG2-CG2 4.08Å; I228-I230 PolarHBondContact O-N 2.76Å; I228-I230 VanDerWaalsContact O-N 3.13Å
229N94.9Very high88.5Confident50 Ų5058.9 Ų58.927%0.26731%0.308SS..EExtended strand (participates in β ladder)trans-66109.1173.2173.916.2000109.5Q175 T231 W233Q175-N229 PolarHBondContact OE1-ND2 3.28Å; N229-T231 WeakPolarHBondContact OD1-CB 3.37Å; N229-T231 PolarHBondContact OD1-N 3.46Å; N229-T231 VanDerWaalsContact OD1-N 3.13Å; N229-T231 PolarHBondContact OD1-OG1 2.8Å; N229-W233 VanDerWaalsContact O-CZ3 3.31Å; N229-W233 WeakPolarHBondContact O-CZ3 3.21Å
230I96.6Very high89.7Confident0 Ų057.3 Ų57.30%030%0.299CS..  trans-99-6.8179.860.8168.2000113.4F151 V176 L178 V201 I228 P232 W233 L234 V258F151-I230 HydrophobicContact CE1-CD1 4.19Å; F151-I230 HydrophobicContact CZ-CD1 4.06Å; V176-I230 HydrophobicContact CB-CG1 4.3Å; V176-I230 HydrophobicContact CG1-CD1 3.94Å; V176-I230 HydrophobicContact CG1-CG1 3.82Å; V176-I230 WeakPolarHBondContact O-CG1 3.46Å; V176-I230 PolarHBondContact O-N 2.77Å; L178-I230 HydrophobicContact CB-CD1 4.29Å; L178-I230 HydrophobicContact CB-CG2 3.91Å; V201-I230 HydrophobicContact CG2-CB 4Å; V201-I230 HydrophobicContact CG2-CD1 4.46Å; V201-I230 HydrophobicContact CG2-CG2 3.84Å; I228-I230 HydrophobicContact CG2-CG2 4.08Å; I228-I230 PolarHBondContact O-N 2.76Å; I228-I230 VanDerWaalsContact O-N 3.13Å; I230-P232 VanDerWaalsContact C-N 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.32Å; I230-P232 VanDerWaalsContact O-N 3.11Å; I230-W233 PolarHBondContact O-N 3.19Å; I230-W233 VanDerWaalsContact O-N 3.13Å; I230-L234 HydrophobicContact CD1-CD2 4.16Å; I230-L234 HydrophobicContact CG1-CD2 4.45Å; I230-V258 HydrophobicContact CD1-CG1 4.03Å
231T95.8Very high91.4Very high17 Ų1749.2 Ų49.210%0.10426%0.262CS..G310 helixtrans-42.5-43.7-178.9-40.90000115.4V161 Q175 V176 N229 W233 L234V161-T231 HydrophobicContact CG1-CG2 3.36Å; Q175-T231 WeakPolarHBondContact CA-OG1 3.32Å; Q175-T231 WeakPolarHBondContact CB-OG1 3.33Å; V176-T231 PolarHBondContact N-OG1 3.04Å; V176-T231 PolarHBondContact O-N 3.15Å; V176-T231 PolarHBondContact O-OG1 3.33Å; N229-T231 WeakPolarHBondContact OD1-CB 3.37Å; N229-T231 PolarHBondContact OD1-N 3.46Å; N229-T231 VanDerWaalsContact OD1-N 3.13Å; N229-T231 PolarHBondContact OD1-OG1 2.8Å; T231-W233 PolarHBondContact O-N 2.81Å; T231-W233 VanDerWaalsContact O-N 3.09Å; T231-L234 PolarHBondContact O-N 2.73Å
232P94.4Very high93Very high87 Ų8753.8 Ų53.857%0.56527%0.271SS*.G310 helixtrans-64.2-15.5-175-23.635.7000115.5I230I230-P232 VanDerWaalsContact C-N 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.32Å; I230-P232 VanDerWaalsContact O-N 3.11Å
233W95.9Very high94.1Very high77 Ų7745.1 Ų45.129%0.29224%0.238SC..G310 helixtrans-114.27.9-174-54.3-69.8000113.5V201 N202 C206 N229 I230 T231V201-W233 HydrophobicContact CB-CB 3.96Å; V201-W233 HydrophobicContact CG1-CB 3.83Å; N202-W233 PolarHBondContact ND2-O 3.4Å; C206-W233 HydrophobicContact CB-CE3 4.03Å; C206-W233 HydrophobicContact CB-CH2 4.05Å; C206-W233 HydrophobicContact CB-CZ3 3.6Å; C206-W233 VanDerWaalsContact SG-CZ3 3.54Å; N229-W233 VanDerWaalsContact O-CZ3 3.31Å; N229-W233 WeakPolarHBondContact O-CZ3 3.21Å; I230-W233 PolarHBondContact O-N 3.19Å; I230-W233 VanDerWaalsContact O-N 3.13Å; T231-W233 PolarHBondContact O-N 2.81Å; T231-W233 VanDerWaalsContact O-N 3.09Å
234L96.6Very high94.8Very high18 Ų1844.2 Ų44.29%0.09424%0.237CC..  trans-86.3142.3-178.6-61.9-177.9000113.3F151 L153 V176 V201 I230 T231 L236 N241F151-L234 HydrophobicContact CE2-CD2 4.47Å; F151-L234 HydrophobicContact CZ-CD1 4.29Å; F151-L234 HydrophobicContact CZ-CD2 3.72Å; L153-L234 HydrophobicContact CD1-CD1 4.47Å; V176-L234 HydrophobicContact CB-CD1 3.56Å; V176-L234 HydrophobicContact CG1-CD1 3.84Å; V176-L234 HydrophobicContact CG2-CD1 3.67Å; V201-L234 HydrophobicContact CG1-CD2 3.71Å; I230-L234 HydrophobicContact CD1-CD2 4.16Å; I230-L234 HydrophobicContact CG1-CD2 4.45Å; T231-L234 PolarHBondContact O-N 2.73Å; L234-L236 HydrophobicContact CB-CD2 4.11Å; L234-L236 PolarHBondContact O-N 2.75Å; L234-N241 VanDerWaalsContact CA-OD1 3.29Å; L234-N241 WeakPolarHBondContact CA-OD1 3.32Å; L234-N241 HydrophobicContact CD2-CB 3.98Å; L234-N241 WeakPolarHBondContact CD2-OD1 3.39Å
235H97Very high95.5Very high76 Ų7643.3 Ų43.335%0.35223%0.231SC..  trans-68.8108157.6-52.4137.6000108.2N202 S237 V239 P240 N241N202-H235 PolarHBondContact OD1-CE1 2.74Å; H235-S237 PolarHBondContact O-N 2.93Å; H235-V239 HydrophobicContact CB-CB 4.09Å; H235-V239 HydrophobicContact CB-CG1 4.44Å; H235-P240 PolarHBondContact ND1-O 3.01Å; H235-N241 PolarHBondContact N-OD1 2.73Å; H235-N241 PolarHBondContact O-ND2 3.37Å
236L95.6Very high95.7Very high40 Ų4043 Ų4321%0.20923%0.229CC..SBendtrans-83.462.2174.7-58.1-175.9000110.4L153 A158 V161 R162 L234L153-L236 HydrophobicContact CD1-CD2 3.78Å; A158-L236 HydrophobicContact CB-CB 4.33Å; V161-L236 HydrophobicContact CB-CD2 4.21Å; V161-L236 HydrophobicContact CG1-CD1 3.93Å; V161-L236 HydrophobicContact CG1-CD2 3.72Å; R162-L236 PolarHBondContact NH2-O 2.85Å; L234-L236 HydrophobicContact CB-CD2 4.11Å; L234-L236 PolarHBondContact O-N 2.75Å
237S93.9Very high95.9Very high48 Ų4840.5 Ų40.534%0.33622%0.219SC..SBendtrans-159.9-177.8-179.363.50000109.7H235 V239H235-S237 PolarHBondContact O-N 2.93Å; S237-V239 PolarHBondContact O-N 2.91Å; S237-V239 VanDerWaalsContact O-N 3.16Å; S237-V239 WeakPolarHBondContact OG-CG2 3.43Å; S237-V239 PolarHBondContact OG-N 2.8Å
238S91.4Very high95.6Very high88 Ų8839.8 Ų39.862%0.61522%0.215SC*.SBendtrans-72.810.7171.653.50000114.5
239V96.3Very high95.2Very high73 Ų7342.3 Ų42.344%0.44223%0.229SC..SBendtrans-77.5130.2173.71770000108.9H235 S237 N241H235-V239 HydrophobicContact CB-CB 4.09Å; H235-V239 HydrophobicContact CB-CG1 4.44Å; S237-V239 PolarHBondContact O-N 2.91Å; S237-V239 VanDerWaalsContact O-N 3.16Å; S237-V239 WeakPolarHBondContact OG-CG2 3.43Å; S237-V239 PolarHBondContact OG-N 2.8Å; V239-N241 PolarHBondContact O-N 3.39Å
240P97.6Very high94.7Very high47 Ų4746.3 Ų46.331%0.30524%0.244SC..PPolyproline II helixtrans-53.1130.2178.1-27.132.9000112.8V150 E152 H235V150-P240 HydrophobicContact CG1-CB 3.83Å; E152-P240 HydrophobicContact CG-CB 4.21Å; E152-P240 HydrophobicContact CG-CG 4.02Å; H235-P240 PolarHBondContact ND1-O 3.01Å
241N98.3Very high94.1Very high0 Ų049.8 Ų49.80%028%0.28CS..EExtended strand (participates in β ladder)trans-91.6120.2170.3-76.2-75.5000108.8V150 F151 N202 L234 H235 V239V150-N241 WeakPolarHBondContact CA-O 3.4Å; F151-N241 HydrophobicContact CD1-CB 4.39Å; F151-N241 HydrophobicContact CD2-CB 4.46Å; F151-N241 HydrophobicContact CE1-CB 4.05Å; F151-N241 HydrophobicContact CE2-CB 4.12Å; F151-N241 HydrophobicContact CZ-CB 3.91Å; F151-N241 PolarHBondContact N-O 3.19Å; F151-N241 VanDerWaalsContact N-O 3.08Å; F151-N241 WeakPolarHBondContact O-CB 3.19Å; F151-N241 PolarHBondContact O-N 3.14Å; N202-N241 PolarHBondContact ND2-OD1 2.88Å; N202-N241 WeakPolarHBondContact OD1-CA 3.48Å; L234-N241 VanDerWaalsContact CA-OD1 3.29Å; L234-N241 WeakPolarHBondContact CA-OD1 3.32Å; L234-N241 HydrophobicContact CD2-CB 3.98Å; L234-N241 WeakPolarHBondContact CD2-OD1 3.39Å; H235-N241 PolarHBondContact N-OD1 2.73Å; H235-N241 PolarHBondContact O-ND2 3.37Å; V239-N241 PolarHBondContact O-N 3.39Å
242R98.1Very high93.7Very high159 Ų15954.2 Ų54.260%0.630%0.297SS*.EExtended strand (participates in β ladder)trans-101.4128.9179.8-62.5-175.1175.8-89.1-2.7109.6V150 N202V150-R242 HydrophobicContact CG1-CG 4.3Å; V150-R242 HydrophobicContact CG2-CG 4.16Å; N202-R242 PolarHBondContact N-O 2.91Å; N202-R242 PolarHBondContact OD1-N 3.15Å
243V98.2Very high93.6Very high0 Ų056.4 Ų56.40%029%0.294CS..EExtended strand (participates in β ladder)trans-115.2132.9173.9-169.60000108.7H148 C149 F151 L178 V199 K200 V201 I245H148-V243 WeakPolarHBondContact CA-O 3.24Å; C149-V243 PolarHBondContact N-O 2.89Å; C149-V243 PolarHBondContact O-N 3.28Å; F151-V243 HydrophobicContact CD1-CG2 4.44Å; F151-V243 HydrophobicContact CE1-CG2 3.88Å; L178-V243 HydrophobicContact CD1-CG1 3.68Å; V199-V243 HydrophobicContact CG1-CG1 4.05Å; K200-V243 WeakPolarHBondContact O-CA 3.45Å; V201-V243 HydrophobicContact CG2-CG1 4.04Å; V201-V243 HydrophobicContact CG2-CG2 4.2Å; V243-I245 HydrophobicContact CG1-CG1 4.27Å
244T97.5Very high93.6Very high25 Ų2553.2 Ų53.215%0.15328%0.282CS..EExtended strand (participates in β ladder)trans-115.5130169-610000108.4D146 H148 K200D146-T244 HydrophobicContact CB-CG2 3.9Å; D146-T244 VanDerWaalsContact CG-CG2 3.41Å; D146-T244 WeakPolarHBondContact OD2-CG2 3.46Å; H148-T244 WeakPolarHBondContact ND1-CG2 3.5Å; H148-T244 PolarHBondContact ND1-OG1 3.13Å; K200-T244 PolarHBondContact N-O 3.13Å; K200-T244 PolarHBondContact O-N 3.4Å
245I96.8Very high93.5Very high1 Ų152.5 Ų52.51%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-115112.6176.4-61162.7000106.7L136 D146 S147 L178 I180 V199 V243 V256L136-I245 HydrophobicContact CD1-CG2 4.2Å; L136-I245 HydrophobicContact CD2-CD1 3.9Å; D146-I245 WeakPolarHBondContact CA-O 3.28Å; S147-I245 PolarHBondContact N-O 3.37Å; S147-I245 PolarHBondContact O-N 2.87Å; L178-I245 HydrophobicContact CD1-CD1 4.37Å; I180-I245 HydrophobicContact CD1-CD1 4.39Å; I180-I245 HydrophobicContact CD1-CG2 4.31Å; V199-I245 HydrophobicContact CG2-CG1 4.5Å; V243-I245 HydrophobicContact CG1-CG1 4.27Å; I245-V256 HydrophobicContact CD1-CB 3.85Å; I245-V256 HydrophobicContact CD1-CG1 4Å; I245-V256 HydrophobicContact CD1-CG2 3.69Å
246T95.1Very high93.6Very high24 Ų2449 Ų4915%0.14726%0.263CS..EExtended strand (participates in β ladder)trans-91.1127.9173.5-47.90000108L144 Q145 D146 I197 A198L144-T246 HydrophobicContact CD1-CG2 4.17Å; L144-T246 HydrophobicContact CD2-CG2 3.6Å; L144-T246 HydrophobicContact CG-CG2 3.69Å; Q145-T246 CarbonylContact O-C 3.52Å; Q145-T246 WeakPolarHBondContact O-CA 3.3Å; D146-T246 WeakPolarHBondContact OD1-CA 3.23Å; D146-T246 WeakPolarHBondContact OD1-CB 3.37Å; D146-T246 WeakPolarHBondContact OD1-CG2 3.43Å; D146-T246 PolarHBondContact OD1-OG1 2.96Å; I197-T246 CarbonylContact C-O 3.57Å; I197-T246 VanDerWaalsContact CA-O 3.31Å; I197-T246 WeakPolarHBondContact CA-O 3.42Å; A198-T246 PolarHBondContact N-O 2.9Å; A198-T246 PolarHBondContact O-N 3.22Å
247W93.7Very high93.7Very high2 Ų247.1 Ų47.11%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-155.8158.6-175.363.9-70.5000113.4L136 A138 L144 Q145 S147 P194 N249 Y254L136-W247 HydrophobicContact CB-CH2 4.2Å; L136-W247 HydrophobicContact CB-CZ2 3.47Å; L136-W247 VanDerWaalsContact CB-CZ2 3.47Å; L136-W247 HydrophobicContact CD1-CD2 4.47Å; L136-W247 WeakPolarHBondContact O-CH2 3.33Å; L136-W247 WeakPolarHBondContact O-CZ2 3.46Å; A138-W247 HydrophobicContact CB-CH2 4.22Å; L144-W247 CarbonylContact C-O 3.58Å; L144-W247 WeakPolarHBondContact CA-O 3.42Å; Q145-W247 HydrophobicContact CG-CD2 4.4Å; Q145-W247 HydrophobicContact CG-CZ2 4.49Å; Q145-W247 PolarHBondContact N-O 2.77Å; Q145-W247 VanDerWaalsContact NE2-CE2 3.26Å; Q145-W247 PolarHBondContact O-N 2.85Å; S147-W247 PolarHBondContact OG-NE1 2.87Å; P194-W247 HydrophobicContact CB-CB 3.83Å; P194-W247 HydrophobicContact CB-CD2 4.25Å; P194-W247 HydrophobicContact CB-CE3 3.75Å; P194-W247 HydrophobicContact CB-CG 4.35Å; P194-W247 HydrophobicContact CG-CB 3.44Å; P194-W247 VanDerWaalsContact CG-CB 3.44Å; P194-W247 HydrophobicContact CG-CD2 4.33Å; P194-W247 HydrophobicContact CG-CE3 4.31Å; P194-W247 HydrophobicContact CG-CG 4.04Å; W247-N249 HydrophobicContact CZ3-CB 4.15Å; W247-Y254 HydrophobicContact CE3-CD2 4.31Å; W247-Y254 AromaticContact CZ3-CD2 3.97Å; W247-Y254 HydrophobicContact CZ3-CD2 3.97Å
248G89.5Confident93.9Very high0 Ų044.8 Ų44.80%024%0.237CC..  trans-98.3129.2175.600000112.8K143 P195 F250K143-G248 WeakPolarHBondContact O-CA 3.47Å; P195-G248 PolarHBondContact O-N 3.33Å; G248-F250 WeakPolarHBondContact O-CD2 3.41Å; G248-F250 PolarHBondContact O-N 3.13Å
249N85.4Confident94.2Very high57 Ų5741.6 Ų41.631%0.30521%0.211SC..  trans-83111.3174179.611.5000111.2A138 W247 G251A138-N249 HydrophobicContact CB-CB 4.41Å; A138-N249 WeakPolarHBondContact CB-ND2 3.17Å; W247-N249 HydrophobicContact CZ3-CB 4.15Å; N249-G251 PolarHBondContact OD1-N 3.07Å
250F84.7Confident94.3Very high134 Ų13438.1 Ų38.159%0.58819%0.19SC*.SBendtrans-120.642.9175.2-67.1-91.6000111.5P195 G248 K252P195-F250 HydrophobicContact CB-CD2 3.73Å; P195-F250 HydrophobicContact CB-CE2 3.82Å; P195-F250 HydrophobicContact CG-CD2 3.66Å; P195-F250 HydrophobicContact CG-CE2 4.27Å; P195-F250 HydrophobicContact CG-CG 4.37Å; G248-F250 WeakPolarHBondContact O-CD2 3.41Å; G248-F250 PolarHBondContact O-N 3.13Å; F250-K252 VanDerWaalsContact C-N 3.28Å; F250-K252 PolarHBondContact O-N 3.19Å
251G83.9Confident94.4Very high73 Ų7336 Ų3675%0.75318%0.176SC*.SBendtrans76.27.2173.800000115.5N249N249-G251 PolarHBondContact OD1-N 3.07Å
252K88.6Confident94.3Very high109 Ų10940.4 Ų40.447%0.47419%0.193SC..  trans-110.3139.4172.2-63.8-169.8-176.4177.70110.2Y182 F250 Y254Y182-K252 HydrophobicContact CD1-CD 4.41Å; Y182-K252 HydrophobicContact CE1-CB 4.25Å; Y182-K252 HydrophobicContact CE1-CD 3.5Å; Y182-K252 HydrophobicContact CE1-CG 4.47Å; Y182-K252 PolarHBondContact OH-NZ 2.9Å; F250-K252 VanDerWaalsContact C-N 3.28Å; F250-K252 PolarHBondContact O-N 3.19Å; K252-Y254 HydrophobicContact CB-CD2 4.46Å; K252-Y254 HydrophobicContact CB-CE2 3.65Å; K252-Y254 VanDerWaalsContact O-CD2 3.28Å; K252-Y254 WeakPolarHBondContact O-CD2 3.41Å; K252-Y254 WeakPolarHBondContact O-CE2 3.37Å
253R92Very high94.3Very high134 Ų13433.5 Ų33.551%0.50617%0.169SC..  trans-94.1139.6178.4-54.2-173.8-52.4121.80.5109.6E135 Y182 S183E135-R253 VanDerWaalsContact OE1-CD 3.28Å; E135-R253 WeakPolarHBondContact OE1-CD 3.1Å; E135-R253 IonicContact OE1-CZ 3.81Å; E135-R253 IonicContact OE1-NE 3.18Å; E135-R253 IonicContact OE1-NH1 2.76Å; E135-R253 PolarHBondContact OE1-NH1 3.39Å; E135-R253 IonicContact OE2-NH1 2.86Å; E135-R253 PolarHBondContact OE2-NH1 3.17Å; Y182-R253 WeakPolarHBondContact CA-O 3.48Å; S183-R253 PolarHBondContact N-O 2.94Å; S183-R253 PolarHBondContact O-NH2 3.01Å
254Y94.7Very high94.2Very high10 Ų1034.4 Ų34.44%0.03917%0.173CC..EExtended strand (participates in β ladder)trans-131.6141.4-173.6-68.5-91000110.9L136 I180 C181 Y182 S183 Q192 Y193 P194 W247 K252L136-Y254 WeakPolarHBondContact CB-O 3.35Å; L136-Y254 WeakPolarHBondContact CG-O 3.28Å; L136-Y254 PolarHBondContact N-O 3.39Å; I180-Y254 HydrophobicContact CG2-CD1 4.25Å; C181-Y254 CarbonylContact O-C 3.57Å; C181-Y254 VanDerWaalsContact O-CA 3.23Å; C181-Y254 WeakPolarHBondContact O-CA 3.32Å; Y182-Y254 HydrophobicContact CD1-CD1 4.01Å; Y182-Y254 AromaticContact CD1-CE1 3.63Å; Y182-Y254 HydrophobicContact CD1-CE1 3.63Å; Y182-Y254 HydrophobicContact CE1-CD1 4.36Å; Y182-Y254 AromaticContact CE1-CE1 3.53Å; Y182-Y254 HydrophobicContact CE1-CE1 3.53Å; Y182-Y254 AromaticContact CE1-CZ 3.67Å; S183-Y254 WeakPolarHBondContact OG-CA 3.22Å; S183-Y254 PolarHBondContact OG-N 3.21Å; S183-Y254 VanDerWaalsContact OG-N 3.12Å; S183-Y254 PolarHBondContact OG-O 3.02Å; S183-Y254 VanDerWaalsContact OG-O 3.12Å; Q192-Y254 HydrophobicContact CG-CE1 4.31Å; Y193-Y254 WeakPolarHBondContact O-CE1 3.38Å; P194-Y254 VanDerWaalsContact CA-CZ 3.5Å; P194-Y254 HydrophobicContact CB-CD1 4.21Å; P194-Y254 HydrophobicContact CB-CD2 3.81Å; P194-Y254 HydrophobicContact CB-CE1 4.12Å; P194-Y254 HydrophobicContact CB-CE2 3.72Å; P194-Y254 HydrophobicContact CB-CG 4.06Å; W247-Y254 HydrophobicContact CE3-CD2 4.31Å; W247-Y254 AromaticContact CZ3-CD2 3.97Å; W247-Y254 HydrophobicContact CZ3-CD2 3.97Å; K252-Y254 HydrophobicContact CB-CD2 4.46Å; K252-Y254 HydrophobicContact CB-CE2 3.65Å; K252-Y254 VanDerWaalsContact O-CD2 3.28Å; K252-Y254 WeakPolarHBondContact O-CD2 3.41Å; K252-Y254 WeakPolarHBondContact O-CE2 3.37Å
255S95.9Very high94.1Very high3 Ų334.3 Ų34.32%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-118.6134.4175.9-65.20000111.2T134 I180 C181 S183T134-S255 CarbonylContact O-C 3.46Å; T134-S255 VanDerWaalsContact O-CA 3.22Å; T134-S255 WeakPolarHBondContact O-CA 3.43Å; I180-S255 WeakPolarHBondContact CA-O 3.28Å; C181-S255 PolarHBondContact N-O 3.21Å; C181-S255 PolarHBondContact O-N 3.45Å; S183-S255 WeakPolarHBondContact CB-OG 3.31Å; S183-S255 PolarHBondContact OG-N 3.02Å; S183-S255 PolarHBondContact OG-OG 2.79Å
256V97.3Very high94.1Very high2 Ų234.6 Ų34.61%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-98.5141.8173.3630000111.1L131 P133 T134 L136 L178 R179 I180 I245L131-V256 HydrophobicContact CD2-CG1 4.28Å; P133-V256 CarbonylContact C-O 3.59Å; P133-V256 WeakPolarHBondContact CA-O 3.49Å; T134-V256 PolarHBondContact N-O 2.89Å; T134-V256 PolarHBondContact O-N 2.69Å; L136-V256 HydrophobicContact CD2-CB 4.07Å; L136-V256 HydrophobicContact CD2-CG1 3.64Å; L178-V256 HydrophobicContact CD1-CG2 3.87Å; L178-V256 HydrophobicContact CD2-CG2 4.02Å; L178-V256 HydrophobicContact CG-CG2 3.71Å; R179-V256 WeakPolarHBondContact O-CA 3.45Å; I180-V256 HydrophobicContact CG1-CB 4.11Å; I180-V256 HydrophobicContact CG1-CG2 4.03Å; I245-V256 HydrophobicContact CD1-CB 3.85Å; I245-V256 HydrophobicContact CD1-CG1 4Å; I245-V256 HydrophobicContact CD1-CG2 3.69Å
257A97.8Very high94.2Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-133.6154.1167.200000110.7L118 L131 P133 L178 R179 Y259L118-A257 HydrophobicContact CD1-CB 4.27Å; L131-A257 WeakPolarHBondContact O-CA 3.44Å; P133-A257 HydrophobicContact CB-CB 4.49Å; P133-A257 HydrophobicContact CG-CB 3.97Å; L178-A257 WeakPolarHBondContact CA-O 3.32Å; R179-A257 PolarHBondContact N-O 3.24Å; R179-A257 PolarHBondContact O-N 3.26Å; A257-Y259 HydrophobicContact CB-CD2 4.31Å; A257-Y259 HydrophobicContact CB-CE1 4.5Å; A257-Y259 HydrophobicContact CB-CE2 3.45Å; A257-Y259 VanDerWaalsContact CB-CE2 3.45Å; A257-Y259 WeakPolarHBondContact CB-OH 3.27Å
258V98.4Very high94.3Very high0 Ų038.7 Ų38.70%020%0.203CC..EExtended strand (participates in β ladder)trans-125.7128.8176.3-175.70000109L130 L131 F151 V176 V177 L178 I230L130-V258 HydrophobicContact CB-CB 4.41Å; L130-V258 HydrophobicContact CB-CG1 4.2Å; L130-V258 HydrophobicContact CD1-CG1 4.34Å; L130-V258 PolarHBondContact N-O 2.82Å; L131-V258 HydrophobicContact CB-CB 3.81Å; L131-V258 HydrophobicContact CB-CG2 3.97Å; L131-V258 HydrophobicContact CD2-CG2 4.15Å; L131-V258 PolarHBondContact N-O 3.44Å; L131-V258 PolarHBondContact O-N 3.15Å; F151-V258 HydrophobicContact CE1-CG1 3.99Å; F151-V258 HydrophobicContact CE1-CG2 4.34Å; F151-V258 HydrophobicContact CE2-CG1 4.45Å; F151-V258 HydrophobicContact CZ-CG1 3.95Å; V176-V258 HydrophobicContact CG1-CG1 3.47Å; V176-V258 VanDerWaalsContact CG1-CG1 3.47Å; V177-V258 WeakPolarHBondContact O-CA 3.31Å; L178-V258 HydrophobicContact CB-CG2 4.49Å; L178-V258 HydrophobicContact CD1-CG2 4.31Å; L178-V258 HydrophobicContact CG-CG2 4.42Å; I230-V258 HydrophobicContact CD1-CG1 4.03Å
259Y98.6Very high94.7Very high21 Ų2138.7 Ų38.78%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-128138.4-173.9-60.4-74.5000111.2T126 E128 T129 V176 V177 R179 A257T126-Y259 HydrophobicContact CG2-CD1 3.71Å; T126-Y259 HydrophobicContact CG2-CE1 4.44Å; T126-Y259 HydrophobicContact CG2-CG 4.33Å; E128-Y259 WeakPolarHBondContact O-CA 3.49Å; T129-Y259 HydrophobicContact CG2-CD1 4.18Å; T129-Y259 HydrophobicContact CG2-CE1 3.88Å; T129-Y259 WeakPolarHBondContact OG1-CE1 3.35Å; V176-Y259 WeakPolarHBondContact CA-O 3.48Å; V177-Y259 PolarHBondContact N-O 3.45Å; V177-Y259 PolarHBondContact O-N 2.92Å; R179-Y259 HydrophobicContact CB-CE2 4.43Å; R179-Y259 HydrophobicContact CG-CD2 4.31Å; R179-Y259 HydrophobicContact CG-CE2 4.48Å; A257-Y259 HydrophobicContact CB-CD2 4.31Å; A257-Y259 HydrophobicContact CB-CE1 4.5Å; A257-Y259 HydrophobicContact CB-CE2 3.45Å; A257-Y259 VanDerWaalsContact CB-CE2 3.45Å; A257-Y259 WeakPolarHBondContact CB-OH 3.27Å
260L98.5Very high95.3Very high0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-79.8123158.2-174.968.7000107.5L127 E128 L130 Q157 V161 V174 V176L127-L260 HydrophobicContact CB-CD2 4.44Å; L127-L260 HydrophobicContact CB-CG 4.39Å; L127-L260 HydrophobicContact CD1-CD2 4.48Å; L127-L260 HydrophobicContact CD1-CG 4.34Å; L127-L260 PolarHBondContact N-O 2.99Å; E128-L260 HydrophobicContact CB-CB 4.13Å; E128-L260 HydrophobicContact CB-CD2 4.45Å; E128-L260 HydrophobicContact CG-CD2 4.36Å; E128-L260 PolarHBondContact N-O 3.14Å; E128-L260 PolarHBondContact O-N 2.99Å; E128-L260 WeakPolarHBondContact OE1-CD2 3.21Å; L130-L260 HydrophobicContact CD1-CB 4.22Å; L130-L260 HydrophobicContact CD2-CB 4.49Å; L130-L260 HydrophobicContact CG-CB 4.32Å; Q157-L260 HydrophobicContact CB-CD2 4.31Å; Q157-L260 HydrophobicContact CG-CD2 4.11Å; V161-L260 HydrophobicContact CG2-CD1 3.55Å; V174-L260 HydrophobicContact CG1-CD1 3.69Å; V174-L260 HydrophobicContact CG1-CG 4.15Å; V176-L260 HydrophobicContact CG2-CD1 3.89Å
261V98.4Very high95.9Very high2 Ų235 Ų351%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-130.3144.9-173.3-640000111.9Y124 Q125 V174 Q175 V177 V263Y124-V261 HydrophobicContact CD1-CB 4.49Å; Y124-V261 HydrophobicContact CD1-CG2 3.93Å; Q125-V261 CarbonylContact O-C 3.52Å; Q125-V261 VanDerWaalsContact O-CA 3.26Å; Q125-V261 WeakPolarHBondContact O-CA 3.39Å; V174-V261 WeakPolarHBondContact CA-O 3.33Å; Q175-V261 HydrophobicContact CB-CG2 4.18Å; Q175-V261 PolarHBondContact N-O 3.28Å; Q175-V261 WeakPolarHBondContact O-CG2 3.4Å; Q175-V261 PolarHBondContact O-N 2.91Å; V177-V261 HydrophobicContact CB-CG2 4.26Å; V177-V261 HydrophobicContact CG1-CG2 3.62Å; V177-V261 HydrophobicContact CG2-CB 4.34Å; V177-V261 HydrophobicContact CG2-CG1 3.64Å; V177-V261 HydrophobicContact CG2-CG2 3.66Å; V261-V263 HydrophobicContact CG2-CG2 4.33Å
262R97.9Very high96.3Very high92 Ų9235.6 Ų35.635%0.34717%0.168SC..EExtended strand (participates in β ladder)trans-89.6127161.5-178.1172.8-64.9-76.8-3.6109.1Y124 Q125 L127 S173 F264Y124-R262 WeakPolarHBondContact CA-O 3.2Å; Q125-R262 HydrophobicContact CB-CB 4.42Å; Q125-R262 PolarHBondContact N-O 3.16Å; Q125-R262 PolarHBondContact O-N 3.48Å; L127-R262 HydrophobicContact CD1-CB 4.22Å; L127-R262 HydrophobicContact CD2-CB 4.08Å; L127-R262 HydrophobicContact CG-CB 4.26Å; S173-R262 CarbonylContact O-C 3.57Å; S173-R262 WeakPolarHBondContact O-CA 3.35Å; R262-F264 HydrophobicContact CB-CZ 4.23Å; R262-F264 HydrophobicContact CG-CE1 3.93Å; R262-F264 HydrophobicContact CG-CE2 4.32Å; R262-F264 HydrophobicContact CG-CZ 3.65Å
263V97.1Very high96.6Very high15 Ų1530.5 Ų30.59%0.09115%0.146CC..EExtended strand (participates in β ladder)trans-94.7143.6179.5-175.20000110F123 Y124 L167 S173 Q175 V261F123-V263 CarbonylContact O-C 3.45Å; F123-V263 WeakPolarHBondContact O-CA 3.3Å; Y124-V263 HydrophobicContact CD1-CG2 3.87Å; Y124-V263 HydrophobicContact CE1-CG1 4.4Å; Y124-V263 HydrophobicContact CE1-CG2 3.89Å; L167-V263 HydrophobicContact CD1-CB 3.96Å; L167-V263 HydrophobicContact CD1-CG1 3.9Å; S173-V263 PolarHBondContact O-N 3.02Å; Q175-V263 HydrophobicContact CB-CG2 4.23Å; Q175-V263 HydrophobicContact CG-CG2 3.93Å; V261-V263 HydrophobicContact CG2-CG2 4.33Å
264F95.8Very high96.7Very high19 Ų1929.3 Ų29.38%0.08314%0.144CC..  trans-120.6152.7176.6-61.3-67.9000111.5F123 Q125 R262 D268 L269 R272F123-F264 WeakPolarHBondContact CD1-O 3.4Å; F123-F264 PolarHBondContact O-N 2.73Å; Q125-F264 HydrophobicContact CB-CE2 3.58Å; Q125-F264 HydrophobicContact CB-CZ 4.12Å; R262-F264 HydrophobicContact CB-CZ 4.23Å; R262-F264 HydrophobicContact CG-CE1 3.93Å; R262-F264 HydrophobicContact CG-CE2 4.32Å; R262-F264 HydrophobicContact CG-CZ 3.65Å; F264-D268 HydrophobicContact CB-CB 3.93Å; F264-D268 HydrophobicContact CD1-CB 3.86Å; F264-D268 HydrophobicContact CG-CB 4.3Å; F264-L269 HydrophobicContact CB-CD2 4Å; F264-L269 HydrophobicContact CB-CG 4.36Å; F264-L269 HydrophobicContact CD2-CD2 4.5Å; F264-L269 HydrophobicContact CG-CD2 4.3Å; F264-R272 VanDerWaalsContact CD2-NH1 3.28Å; F264-R272 VanDerWaalsContact CE1-NH2 3.3Å
265T96.5Very high96.5Very high23 Ų2336.2 Ų36.214%0.14118%0.181CC..  trans-91.3168.9168.567.30000111.2L167 A267 D268 L269L167-T265 HydrophobicContact CB-CG2 4.32Å; L167-T265 HydrophobicContact CD1-CG2 4.39Å; L167-T265 HydrophobicContact CD2-CG2 4.39Å; T265-A267 PolarHBondContact O-N 3.03Å; T265-A267 PolarHBondContact OG1-N 2.99Å; T265-D268 WeakPolarHBondContact CB-OD2 3.01Å; T265-D268 PolarHBondContact N-OD2 3.16Å; T265-D268 PolarHBondContact O-N 2.72Å; T265-D268 PolarHBondContact OG1-N 3.04Å; T265-D268 PolarHBondContact OG1-OD2 3.19Å; T265-L269 PolarHBondContact O-N 3.38Å
266A97.2Very high96Very high7 Ų739.2 Ų39.26%0.05820%0.201CC..Hα-helixtrans-55.7-32.9167.400000112.8F270 L339 Q340 E343A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 3.29Å; A266-L339 HydrophobicContact CB-CB 3.92Å; A266-Q340 HydrophobicContact CB-CB 4.39Å; A266-Q340 HydrophobicContact CB-CG 3.85Å; A266-E343 WeakPolarHBondContact CB-OE2 3.2Å; A266-E343 PolarHBondContact N-OE2 2.9Å
267A96.6Very high95.7Very high55 Ų5540 Ų4046%0.45521%0.207SC..Hα-helixtrans-69.4-40177.300000112.2T265 F270 N271T265-A267 PolarHBondContact O-N 3.03Å; T265-A267 PolarHBondContact OG1-N 2.99Å; A267-F270 PolarHBondContact O-N 3.17Å; A267-N271 WeakPolarHBondContact O-CB 3.5Å; A267-N271 VanDerWaalsContact O-CG 3.22Å; A267-N271 PolarHBondContact O-N 2.97Å; A267-N271 PolarHBondContact O-ND2 3.18Å
268D96.1Very high95.5Very high56 Ų5644.1 Ų44.130%0.29923%0.232SC..Hα-helixtrans-63.5-43.1175.4-61.9-65.5000111.8F264 T265 N271 R272F264-D268 HydrophobicContact CB-CB 3.93Å; F264-D268 HydrophobicContact CD1-CB 3.86Å; F264-D268 HydrophobicContact CG-CB 4.3Å; T265-D268 WeakPolarHBondContact CB-OD2 3.01Å; T265-D268 PolarHBondContact N-OD2 3.16Å; T265-D268 PolarHBondContact O-N 2.72Å; T265-D268 PolarHBondContact OG1-N 3.04Å; T265-D268 PolarHBondContact OG1-OD2 3.19Å; D268-N271 PolarHBondContact O-N 3.29Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.45Å
269L97Very high95.3Very high0 Ų044.6 Ų44.60%023%0.234CC..Hα-helixtrans-69.7-33.8177-64-160.6000112.4P122 F123 F264 T265 R272 L273 L339 W348 F359P122-L269 HydrophobicContact CB-CD1 3.67Å; P122-L269 WeakPolarHBondContact O-CD2 3.45Å; F123-L269 HydrophobicContact CD1-CD1 3.55Å; F123-L269 HydrophobicContact CD1-CG 4.06Å; F123-L269 HydrophobicContact CD2-CD1 4.45Å; F123-L269 HydrophobicContact CE1-CD1 3.4Å; F123-L269 VanDerWaalsContact CE1-CD1 3.4Å; F123-L269 HydrophobicContact CE1-CG 3.98Å; F123-L269 HydrophobicContact CE2-CD1 4.32Å; F123-L269 HydrophobicContact CG-CD1 4.09Å; F123-L269 HydrophobicContact CZ-CD1 3.81Å; F264-L269 HydrophobicContact CB-CD2 4Å; F264-L269 HydrophobicContact CB-CG 4.36Å; F264-L269 HydrophobicContact CD2-CD2 4.5Å; F264-L269 HydrophobicContact CG-CD2 4.3Å; T265-L269 PolarHBondContact O-N 3.38Å; L269-R272 WeakPolarHBondContact O-CB 3.3Å; L269-R272 PolarHBondContact O-N 2.79Å; L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.37Å; L269-L339 HydrophobicContact CB-CD1 4.26Å; L269-L339 HydrophobicContact CB-CD2 4.07Å; L269-L339 HydrophobicContact CD1-CD2 4.38Å; L269-W348 HydrophobicContact CD1-CH2 4.46Å; L269-F359 HydrophobicContact CB-CD2 4.41Å; L269-F359 HydrophobicContact CB-CE2 3.75Å; L269-F359 HydrophobicContact CB-CZ 4.09Å; L269-F359 HydrophobicContact CD1-CD2 4.26Å; L269-F359 HydrophobicContact CD1-CE2 4.35Å; L269-F359 HydrophobicContact CD2-CZ 4.4Å; L269-F359 HydrophobicContact CG-CE2 4.48Å; L269-F359 WeakPolarHBondContact O-CE2 3.48Å; L269-F359 WeakPolarHBondContact O-CZ 3.33Å
270F98.1Very high95.1Very high27 Ų2746.5 Ų46.512%0.11825%0.25CS..Hα-helixtrans-66.3-44.4173.5171.9-123.1000112.2A266 A267 R272 L273 K274 V320 A335 V336 L339A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 3.29Å; A267-F270 PolarHBondContact O-N 3.17Å; F270-R272 VanDerWaalsContact C-N 3.3Å; F270-R272 PolarHBondContact O-N 3.03Å; F270-L273 PolarHBondContact O-N 2.7Å; F270-K274 HydrophobicContact CE1-CD 4.07Å; F270-K274 HydrophobicContact CE2-CD 4.09Å; F270-K274 HydrophobicContact CE2-CG 4.2Å; F270-K274 HydrophobicContact CZ-CD 3.83Å; F270-K274 HydrophobicContact CZ-CG 4.44Å; F270-K274 PolarHBondContact O-N 3.23Å; F270-V320 HydrophobicContact CE2-CB 4.31Å; F270-V320 HydrophobicContact CE2-CG1 4.18Å; F270-V320 HydrophobicContact CE2-CG2 3.82Å; F270-V320 HydrophobicContact CZ-CG2 3.85Å; F270-A335 HydrophobicContact CD2-CB 4.4Å; F270-A335 HydrophobicContact CE2-CB 4.44Å; F270-V336 HydrophobicContact CD1-CG2 4.26Å; F270-V336 HydrophobicContact CD2-CG2 3.88Å; F270-V336 HydrophobicContact CE1-CG2 3.99Å; F270-V336 HydrophobicContact CE2-CG2 3.61Å; F270-V336 HydrophobicContact CG-CG2 4.18Å; F270-V336 HydrophobicContact CZ-CG2 3.63Å; F270-L339 HydrophobicContact CB-CD1 3.78Å
271N96.8Very high95Very high86 Ų8646.6 Ų46.646%0.4625%0.251SS..Hα-helixtrans-63.2-37.1175.4-72.1-24.4000111.5A267 D268 L275A267-N271 WeakPolarHBondContact O-CB 3.5Å; A267-N271 VanDerWaalsContact O-CG 3.22Å; A267-N271 PolarHBondContact O-N 2.97Å; A267-N271 PolarHBondContact O-ND2 3.18Å; D268-N271 PolarHBondContact O-N 3.29Å; N271-L275 WeakPolarHBondContact O-CD1 3.19Å; N271-L275 VanDerWaalsContact O-CG 3.32Å; N271-L275 WeakPolarHBondContact O-CG 3.45Å; N271-L275 PolarHBondContact O-N 3.47Å
272R94.1Very high94.9Very high87 Ų8751.2 Ų51.233%0.32827%0.273SS..Hα-helixtrans-61.7-51.7169.4-75.9168.4166.3176.3-4.8112F264 D268 L269 F270 K274 L275 C276 F359F264-R272 VanDerWaalsContact CD2-NH1 3.28Å; F264-R272 VanDerWaalsContact CE1-NH2 3.3Å; D268-R272 WeakPolarHBondContact O-CG 3.47Å; D268-R272 PolarHBondContact O-N 3.45Å; L269-R272 WeakPolarHBondContact O-CB 3.3Å; L269-R272 PolarHBondContact O-N 2.79Å; F270-R272 VanDerWaalsContact C-N 3.3Å; F270-R272 PolarHBondContact O-N 3.03Å; R272-K274 VanDerWaalsContact C-N 3.28Å; R272-K274 PolarHBondContact O-N 3.04Å; R272-L275 PolarHBondContact O-N 3.19Å; R272-C276 PolarHBondContact O-N 2.92Å; R272-C276 VanDerWaalsContact O-N 3.14Å; R272-C276 PolarHBondContact O-SG 2.97Å; R272-F359 HydrophobicContact CB-CZ 4.21Å
273L94Very high94.7Very high2 Ų251.8 Ų51.81%0.0128%0.275CS..Hα-helixtrans-55.1-43.6-178.8-169.373.6000111.9L269 F270 L275 C276 S277 A335 F359 L362 I364L269-L273 WeakPolarHBondContact O-CB 3.41Å; L269-L273 PolarHBondContact O-N 3.37Å; F270-L273 PolarHBondContact O-N 2.7Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 PolarHBondContact O-N 2.89Å; L273-C276 PolarHBondContact O-N 2.94Å; L273-S277 CarbonylContact O-C 3.56Å; L273-S277 PolarHBondContact O-N 2.95Å; L273-A335 HydrophobicContact CD2-CB 4.15Å; L273-F359 HydrophobicContact CB-CE2 4.41Å; L273-F359 HydrophobicContact CD1-CE2 4.41Å; L273-L362 HydrophobicContact CD1-CB 3.7Å; L273-I364 HydrophobicContact CD2-CD1 4.07Å; L273-I364 HydrophobicContact CD2-CG1 3.87Å; L273-I364 HydrophobicContact CG-CD1 4.14Å; L273-I364 HydrophobicContact CG-CG1 4.14Å
274K94.3Very high94.5Very high109 Ų10951.1 Ų51.147%0.47427%0.27SS..Hα-helixtrans-59.8-27.6174-85.3179.6157.7176.60114.8F270 R272 V278 I364F270-K274 HydrophobicContact CE1-CD 4.07Å; F270-K274 HydrophobicContact CE2-CD 4.09Å; F270-K274 HydrophobicContact CE2-CG 4.2Å; F270-K274 HydrophobicContact CZ-CD 3.83Å; F270-K274 HydrophobicContact CZ-CG 4.44Å; F270-K274 PolarHBondContact O-N 3.23Å; R272-K274 VanDerWaalsContact C-N 3.28Å; R272-K274 PolarHBondContact O-N 3.04Å; K274-V278 WeakPolarHBondContact O-CG2 3.4Å; K274-I364 HydrophobicContact CG-CD1 3.97Å
275L89.7Confident94.5Very high155 Ų15553.6 Ų53.681%0.81228%0.279SS*.Hα-helixtrans-93.3-21.9-177.1-70.1169.6000113.6N271 R272 L273N271-L275 WeakPolarHBondContact O-CD1 3.19Å; N271-L275 VanDerWaalsContact O-CG 3.32Å; N271-L275 WeakPolarHBondContact O-CG 3.45Å; N271-L275 PolarHBondContact O-N 3.47Å; R272-L275 PolarHBondContact O-N 3.19Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 PolarHBondContact O-N 2.89Å
276C85.2Confident94.3Very high65 Ų6558.1 Ų58.144%0.43930%0.299SS..Hα-helixtrans-126.4-15.8-172.768.60000116.1W72 R272 L273W72-C276 HydrophobicContact CH2-CB 4.29Å; W72-C276 WeakPolarHBondContact CH2-SG 3.32Å; W72-C276 HydrophobicContact CZ2-CB 4.28Å; W72-C276 WeakPolarHBondContact CZ2-SG 3.16Å; R272-C276 PolarHBondContact O-N 2.92Å; R272-C276 VanDerWaalsContact O-N 3.14Å; R272-C276 PolarHBondContact O-SG 2.97Å; L273-C276 PolarHBondContact O-N 2.94Å
277S91Very high94Very high20 Ų2059.9 Ų59.914%0.1430%0.304CS..  trans-143.761.4-173.6-160.80000111.9L273 L362 T363 I364L273-S277 CarbonylContact O-C 3.56Å; L273-S277 PolarHBondContact O-N 2.95Å; S277-L362 WeakPolarHBondContact CB-O 3.49Å; S277-L362 PolarHBondContact OG-O 3.34Å; S277-T363 WeakPolarHBondContact O-CA 3.32Å; S277-T363 PolarHBondContact O-OG1 3.42Å; S277-T363 VanDerWaalsContact O-OG1 3.14Å; S277-T363 WeakPolarHBondContact OG-CA 3.39Å; S277-T363 WeakPolarHBondContact OG-CB 3.33Å; S277-T363 PolarHBondContact OG-OG1 3.16Å; S277-I364 PolarHBondContact O-N 2.95Å
278V94.4Very high93.8Very high85 Ų8557.3 Ų57.352%0.51528%0.283SS..EExtended strand (participates in β ladder)trans-105.6126161.6-176.40000107.3K274 I364K274-V278 WeakPolarHBondContact O-CG2 3.4Å; V278-I364 HydrophobicContact CG2-CB 4.3Å; V278-I364 HydrophobicContact CG2-CD1 4.21Å
279E94.2Very high93.5Very high11 Ų1158.5 Ų58.55%0.05129%0.286CS..EExtended strand (participates in β ladder)trans-92.1133.1178-165.5171.4-154.200109.8R283 R287 T363 I364 G366E279-R283 HydrophobicContact CG-CB 4.12Å; E279-R283 HydrophobicContact CG-CG 4.11Å; E279-R283 WeakPolarHBondContact OE1-CD 3.4Å; E279-R283 IonicContact OE1-CZ 3.79Å; E279-R283 IonicContact OE1-NE 3.68Å; E279-R283 PolarHBondContact OE1-NE 3Å; E279-R287 IonicContact OE1-CZ 3.13Å; E279-R287 IonicContact OE1-NH1 2.67Å; E279-R287 PolarHBondContact OE1-NH1 2.83Å; E279-R287 IonicContact OE2-CZ 2.75Å; E279-R287 IonicContact OE2-NH1 2.98Å; E279-R287 PolarHBondContact OE2-NH1 2.59Å; E279-R287 IonicContact OE2-NH2 3.41Å; E279-R287 PolarHBondContact OE2-NH2 3.11Å; E279-T363 HydrophobicContact CB-CG2 4.47Å; E279-I364 PolarHBondContact N-O 2.59Å; E279-G366 WeakPolarHBondContact O-CA 3.34Å; E279-G366 PolarHBondContact O-N 2.93Å
280S95.3Very high93.1Very high60 Ų6061.2 Ų61.242%0.4230%0.301SS..  trans-66151.8-178.894.70000111.3E282 R283 C284S280-E282 WeakPolarHBondContact CB-OE2 3.45Å; S280-E282 PolarHBondContact O-N 2.81Å; S280-E282 PolarHBondContact OG-OE2 3.21Å; S280-R283 PolarHBondContact O-N 2.79Å; S280-R283 PolarHBondContact OG-N 3.3Å; S280-C284 PolarHBondContact O-N 2.84Å; S280-C284 PolarHBondContact O-SG 2.94Å
281A96.5Very high92.6Very high2 Ų263 Ų632%0.01731%0.309CS..Hα-helixtrans-63.3-31-177.900000112C284 R285 L367 E370A281-C284 CarbonylContact O-C 3.4Å; A281-C284 WeakPolarHBondContact O-CB 3.45Å; A281-C284 PolarHBondContact O-N 2.79Å; A281-R285 VanDerWaalsContact O-CG 3.27Å; A281-R285 WeakPolarHBondContact O-CG 3.2Å; A281-R285 PolarHBondContact O-N 3.49Å; A281-L367 HydrophobicContact CB-CB 3.95Å; A281-L367 HydrophobicContact CB-CD1 4.29Å; A281-E370 VanDerWaalsContact CB-CD 3.45Å; A281-E370 VanDerWaalsContact CB-OE1 3.32Å; A281-E370 WeakPolarHBondContact CB-OE1 3.02Å; A281-E370 WeakPolarHBondContact CB-OE2 3.33Å
282E95.2Very high92.2Very high100 Ų10059.1 Ų59.147%0.46729%0.288SS..Hα-helixtrans-61.5-50.1175.7-58.361.3-121.300110.1S280 C284 R285 E286S280-E282 WeakPolarHBondContact CB-OE2 3.45Å; S280-E282 PolarHBondContact O-N 2.81Å; S280-E282 PolarHBondContact OG-OE2 3.21Å; E282-C284 VanDerWaalsContact C-N 3.25Å; E282-C284 PolarHBondContact O-N 3.46Å; E282-R285 CarbonylContact O-C 3.57Å; E282-R285 WeakPolarHBondContact O-CA 3.16Å; E282-R285 WeakPolarHBondContact O-CB 3.38Å; E282-R285 PolarHBondContact O-N 3.05Å; E282-R285 VanDerWaalsContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.68Å; E282-R285 IonicContact OE1-NH1 2.83Å; E282-R285 PolarHBondContact OE1-NH1 3.21Å; E282-E286 WeakPolarHBondContact O-CG 3.18Å; E282-E286 PolarHBondContact O-N 2.82Å
283R92.9Very high91.8Very high104 Ų10464 Ų6439%0.39231%0.306SS..Hα-helixtrans-65.7-29.8177.1-171.8175.1178.1-171.22112.6E279 S280 R287E279-R283 HydrophobicContact CG-CB 4.12Å; E279-R283 HydrophobicContact CG-CG 4.11Å; E279-R283 WeakPolarHBondContact OE1-CD 3.4Å; E279-R283 IonicContact OE1-CZ 3.79Å; E279-R283 IonicContact OE1-NE 3.68Å; E279-R283 PolarHBondContact OE1-NE 3Å; S280-R283 PolarHBondContact O-N 2.79Å; S280-R283 PolarHBondContact OG-N 3.3Å; R283-R287 PolarHBondContact O-N 3.21Å; R283-R287 VanDerWaalsContact O-N 3.08Å
284C94.2Very high91Very high0 Ų069.5 Ų69.50%033%0.33CS..Hα-helixtrans-68.7-44.5171.3-59.60000111.2S280 A281 E282 R287 I288 L367S280-C284 PolarHBondContact O-N 2.84Å; S280-C284 PolarHBondContact O-SG 2.94Å; A281-C284 CarbonylContact O-C 3.4Å; A281-C284 WeakPolarHBondContact O-CB 3.45Å; A281-C284 PolarHBondContact O-N 2.79Å; E282-C284 VanDerWaalsContact C-N 3.25Å; E282-C284 PolarHBondContact O-N 3.46Å; C284-R287 WeakPolarHBondContact O-CB 3.42Å; C284-R287 PolarHBondContact O-N 3Å; C284-R287 PolarHBondContact SG-NH2 3.41Å; C284-I288 VanDerWaalsContact O-CD1 3.3Å; C284-I288 WeakPolarHBondContact O-CD1 3.46Å; C284-I288 VanDerWaalsContact O-CG1 3.28Å; C284-I288 WeakPolarHBondContact O-CG1 3.22Å; C284-I288 PolarHBondContact O-N 3.43Å; C284-I288 VanDerWaalsContact O-N 3.09Å; C284-L367 HydrophobicContact CB-CB 3.5Å; C284-L367 VanDerWaalsContact CB-CB 3.5Å; C284-L367 HydrophobicContact CB-CD2 4.27Å
285R95.1Very high90.3Very high72 Ų7266 Ų6627%0.27232%0.317SS..Hα-helixtrans-60.9-44.3173.5-68172.1-161.4108.48111.4A281 E282 R287 I288 Q289 L367 E370A281-R285 VanDerWaalsContact O-CG 3.27Å; A281-R285 WeakPolarHBondContact O-CG 3.2Å; A281-R285 PolarHBondContact O-N 3.49Å; E282-R285 CarbonylContact O-C 3.57Å; E282-R285 WeakPolarHBondContact O-CA 3.16Å; E282-R285 WeakPolarHBondContact O-CB 3.38Å; E282-R285 PolarHBondContact O-N 3.05Å; E282-R285 VanDerWaalsContact O-N 3.1Å; E282-R285 IonicContact OE1-CZ 3.68Å; E282-R285 IonicContact OE1-NH1 2.83Å; E282-R285 PolarHBondContact OE1-NH1 3.21Å; R285-R287 PolarHBondContact O-N 3.3Å; R285-I288 WeakPolarHBondContact O-CA 3.49Å; R285-I288 WeakPolarHBondContact O-CB 3.03Å; R285-I288 PolarHBondContact O-N 2.83Å; R285-I288 VanDerWaalsContact O-N 3.08Å; R285-Q289 WeakPolarHBondContact O-CG 3.38Å; R285-Q289 PolarHBondContact O-N 3.23Å; R285-L367 HydrophobicContact CG-CD1 3.98Å; R285-L367 HydrophobicContact CG-CD2 3.76Å; R285-L367 HydrophobicContact CG-CG 4.43Å; R285-E370 IonicContact CZ-OE2 2.71Å; R285-E370 IonicContact NH2-OE2 3.23Å; R285-E370 PolarHBondContact NH2-OE2 2.78Å
286E92.5Very high89.7Confident117 Ų11764.1 Ų64.155%0.54731%0.314SS..Hα-helixtrans-55.2-52173-73.8173.416900111.1E282 I288 Q289 D290E282-E286 WeakPolarHBondContact O-CG 3.18Å; E282-E286 PolarHBondContact O-N 2.82Å; E286-I288 PolarHBondContact O-N 3.41Å; E286-Q289 PolarHBondContact O-N 2.92Å; E286-D290 WeakPolarHBondContact O-CB 3.34Å; E286-D290 PolarHBondContact O-N 3.07Å
287R90.6Very high89.2Confident45 Ų4566.8 Ų66.817%0.1732%0.32CS..Hα-helixtrans-54.9-35.9175.9162175.857.1-116.48.1112.5E279 R283 C284 R285 K291 R323 L330 D365E279-R287 IonicContact OE1-CZ 3.13Å; E279-R287 IonicContact OE1-NH1 2.67Å; E279-R287 PolarHBondContact OE1-NH1 2.83Å; E279-R287 IonicContact OE2-CZ 2.75Å; E279-R287 IonicContact OE2-NH1 2.98Å; E279-R287 PolarHBondContact OE2-NH1 2.59Å; E279-R287 IonicContact OE2-NH2 3.41Å; E279-R287 PolarHBondContact OE2-NH2 3.11Å; R283-R287 PolarHBondContact O-N 3.21Å; R283-R287 VanDerWaalsContact O-N 3.08Å; C284-R287 WeakPolarHBondContact O-CB 3.42Å; C284-R287 PolarHBondContact O-N 3Å; C284-R287 PolarHBondContact SG-NH2 3.41Å; R285-R287 PolarHBondContact O-N 3.3Å; R287-K291 WeakPolarHBondContact O-CB 3.36Å; R287-K291 PolarHBondContact O-N 2.91Å; R287-R323 VanDerWaalsContact NH2-CD 3.25Å; R287-L330 HydrophobicContact CG-CD2 3.85Å; R287-D365 IonicContact CZ-OD2 2.7Å; R287-D365 IonicContact NH2-OD2 2.89Å; R287-D365 PolarHBondContact NH2-OD2 2.87Å
288I92.1Very high88.6Confident1 Ų167.9 Ų67.91%0.00533%0.328CS..Hα-helixtrans-74.2-55.8-179.4-71.9158.3000110.5C284 R285 E286 D290 K291 L292 L330 L367 Y384C284-I288 VanDerWaalsContact O-CD1 3.3Å; C284-I288 WeakPolarHBondContact O-CD1 3.46Å; C284-I288 VanDerWaalsContact O-CG1 3.28Å; C284-I288 WeakPolarHBondContact O-CG1 3.22Å; C284-I288 PolarHBondContact O-N 3.43Å; C284-I288 VanDerWaalsContact O-N 3.09Å; R285-I288 WeakPolarHBondContact O-CA 3.49Å; R285-I288 WeakPolarHBondContact O-CB 3.03Å; R285-I288 PolarHBondContact O-N 2.83Å; R285-I288 VanDerWaalsContact O-N 3.08Å; E286-I288 PolarHBondContact O-N 3.41Å; I288-D290 VanDerWaalsContact C-N 3.31Å; I288-D290 PolarHBondContact O-N 3.19Å; I288-K291 CarbonylContact O-C 3.55Å; I288-K291 WeakPolarHBondContact O-CA 3.23Å; I288-K291 PolarHBondContact O-N 2.98Å; I288-L292 HydrophobicContact CG2-CD1 3.88Å; I288-L292 WeakPolarHBondContact O-CG 3.37Å; I288-L292 PolarHBondContact O-N 3.49Å; I288-L330 HydrophobicContact CG1-CD1 3.8Å; I288-L330 HydrophobicContact CG1-CD2 3.99Å; I288-L367 HydrophobicContact CD1-CD2 3.38Å; I288-Y384 HydrophobicContact CD1-CD1 3.71Å; I288-Y384 HydrophobicContact CD1-CD2 4.12Å; I288-Y384 HydrophobicContact CD1-CE1 3.49Å; I288-Y384 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y384 HydrophobicContact CD1-CE2 3.89Å; I288-Y384 HydrophobicContact CD1-CG 4.02Å; I288-Y384 HydrophobicContact CG1-CD2 4.34Å; I288-Y384 HydrophobicContact CG1-CE2 4.41Å; I288-Y384 HydrophobicContact CG1-CG 4.37Å; I288-Y384 HydrophobicContact CG2-CD1 4.17Å; I288-Y384 HydrophobicContact CG2-CD2 4.47Å; I288-Y384 HydrophobicContact CG2-CG 3.87Å
289Q91.5Very high87.7Confident80 Ų8073.6 Ų73.637%0.37435%0.349SS..Hα-helixtrans-51.3-51174.8-72.1169.4-16.600110.7R285 E286 K291 L292 R293 D387R285-Q289 WeakPolarHBondContact O-CG 3.38Å; R285-Q289 PolarHBondContact O-N 3.23Å; E286-Q289 PolarHBondContact O-N 2.92Å; Q289-K291 PolarHBondContact O-N 2.7Å; Q289-L292 CarbonylContact O-C 3.55Å; Q289-L292 PolarHBondContact O-N 3.19Å; Q289-L292 VanDerWaalsContact O-N 3.1Å; Q289-R293 WeakPolarHBondContact O-CA 3.4Å; Q289-R293 WeakPolarHBondContact O-CB 3.46Å; Q289-R293 PolarHBondContact O-N 3.35Å; Q289-D387 PolarHBondContact NE2-O 3.34Å
290D88.4Confident86.9Confident57 Ų5779.4 Ų79.431%0.30538%0.379SS..Hα-helixtrans-65.4-24.7-178.2-170.446.8000112.1R16 E286 I288R16-D290 VanDerWaalsContact CZ-C 3.45Å; R16-D290 IonicContact CZ-OD2 3.35Å; R16-D290 PolarHBondContact NE-O 2.95Å; R16-D290 PolarHBondContact NH1-O 2.89Å; R16-D290 IonicContact NH1-OD1 3.95Å; R16-D290 PolarHBondContact NH1-OD1 2.9Å; R16-D290 IonicContact NH1-OD2 3.43Å; R16-D290 PolarHBondContact NH1-OD2 3.43Å; R16-D290 VanDerWaalsContact NH2-C 3.25Å; R16-D290 VanDerWaalsContact NH2-CG 3.32Å; R16-D290 PolarHBondContact NH2-O 2.66Å; R16-D290 VanDerWaalsContact NH2-O 3.14Å; R16-D290 IonicContact NH2-OD2 3.93Å; R16-D290 PolarHBondContact NH2-OD2 3.3Å; E286-D290 WeakPolarHBondContact O-CB 3.34Å; E286-D290 PolarHBondContact O-N 3.07Å; I288-D290 VanDerWaalsContact C-N 3.31Å; I288-D290 PolarHBondContact O-N 3.19Å
291K86.6Confident86Confident65 Ų6579.2 Ų79.228%0.28338%0.381SS..Hα-helixtrans-86.3-26.6173.2-178.2175.5172.1-179.70113.8R287 I288 Q289 A328 L330R287-K291 WeakPolarHBondContact O-CB 3.36Å; R287-K291 PolarHBondContact O-N 2.91Å; I288-K291 CarbonylContact O-C 3.55Å; I288-K291 WeakPolarHBondContact O-CA 3.23Å; I288-K291 PolarHBondContact O-N 2.98Å; Q289-K291 PolarHBondContact O-N 2.7Å; K291-A328 PolarHBondContact NZ-O 3.39Å; K291-L330 HydrophobicContact CD-CD1 3.97Å; K291-L330 HydrophobicContact CD-CD2 4.39Å; K291-L330 HydrophobicContact CD-CG 3.97Å
292L87.9Confident85.3Confident4 Ų482.4 Ų82.42%0.02140%0.4CS..Hα-helixtrans-89.5-11.2173.9-69.4176000112.9I288 Q289 F294 T302 L305 L385 T386I288-L292 HydrophobicContact CG2-CD1 3.88Å; I288-L292 WeakPolarHBondContact O-CG 3.37Å; I288-L292 PolarHBondContact O-N 3.49Å; Q289-L292 CarbonylContact O-C 3.55Å; Q289-L292 PolarHBondContact O-N 3.19Å; Q289-L292 VanDerWaalsContact O-N 3.1Å; L292-F294 PolarHBondContact O-N 2.98Å; L292-T302 HydrophobicContact CD2-CG2 3.53Å; L292-L305 HydrophobicContact CD2-CB 3.94Å; L292-L385 VanDerWaalsContact CD1-C 3.44Å; L292-L385 VanDerWaalsContact CD1-O 3.24Å; L292-L385 WeakPolarHBondContact CD1-O 3.42Å; L292-T386 HydrophobicContact CB-CG2 4.19Å
293R85.9Confident84.7Confident189 Ų18983 Ų8371%0.71341%0.411SS*.  trans-52.3123.6-179.9-177.6175.3179.6170.92.4110.9Q289 D295Q289-R293 WeakPolarHBondContact O-CA 3.4Å; Q289-R293 WeakPolarHBondContact O-CB 3.46Å; Q289-R293 PolarHBondContact O-N 3.35Å; R293-D295 PolarHBondContact O-N 3.19Å
294F78.6Confident84.4Confident118 Ų11878.8 Ų78.852%0.51840%0.4SS..  trans-59.7134.7175.3179.8-113000111.2L292 P296 A301L292-F294 PolarHBondContact O-N 2.98Å; F294-P296 HydrophobicContact CE1-CB 4.47Å; F294-P296 HydrophobicContact CE1-CG 4.45Å; F294-A301 HydrophobicContact CD2-CB 3.66Å; F294-A301 HydrophobicContact CE2-CB 3.99Å
295D78.5Confident84.3Confident37 Ų3780.7 Ų80.720%0.19841%0.41CS..  trans-105.2114.4176.1-172-25000107.9S18 R293 E297 S298S18-D295 WeakPolarHBondContact CB-OD2 3.28Å; R293-D295 PolarHBondContact O-N 3.19Å; D295-E297 PolarHBondContact O-N 2.98Å; D295-E297 VanDerWaalsContact O-N 3.11Å; D295-E297 PolarHBondContact OD1-N 3.18Å; D295-E297 VanDerWaalsContact OD1-N 3.13Å; D295-S298 WeakPolarHBondContact O-CB 3.3Å; D295-S298 PolarHBondContact O-N 3.14Å
296P76.3Confident84.3Confident115 Ų11584.5 Ų84.575%0.74742%0.424SS*.THydrogen-bonded Turntrans-62.7-13.6-177.9-25.235.8000115.5F294F294-P296 HydrophobicContact CE1-CB 4.47Å; F294-P296 HydrophobicContact CE1-CG 4.45Å
297E76.3Confident84.5Confident120 Ų12079.1 Ų79.156%0.56140%0.399SS*.THydrogen-bonded Turntrans-93.56.1170.7-59.2-157.1143.600113.2K31 D295K31-E297 WeakPolarHBondContact CE-OE2 3.27Å; K31-E297 IonicContact NZ-OE1 3.7Å; K31-E297 PolarHBondContact NZ-OE1 3.49Å; K31-E297 IonicContact NZ-OE2 2.61Å; K31-E297 PolarHBondContact NZ-OE2 3.34Å; D295-E297 PolarHBondContact O-N 2.98Å; D295-E297 VanDerWaalsContact O-N 3.11Å; D295-E297 PolarHBondContact OD1-N 3.18Å; D295-E297 VanDerWaalsContact OD1-N 3.13Å
298S76.9Confident84.9Confident44 Ų4478.1 Ų78.131%0.30840%0.399SS..  trans-106.5119176-176.10000111.8D295 I300D295-S298 WeakPolarHBondContact O-CB 3.3Å; D295-S298 PolarHBondContact O-N 3.14Å; S298-I300 PolarHBondContact O-N 2.77Å; S298-I300 PolarHBondContact OG-N 3.23Å; S298-I300 PolarHBondContact OG-O 2.85Å
299E76.9Confident85.2Confident204 Ų20478 Ų7895%0.95340%0.399SS*.SBendtrans-63-17.3171.7-63.4176.4-179.700113.1
300I76.8Confident85.5Confident134 Ų13475.7 Ų75.769%0.68739%0.388SS*.  trans-112.3121-179.2-57176000109.6S298S298-I300 PolarHBondContact O-N 2.77Å; S298-I300 PolarHBondContact OG-N 3.23Å; S298-I300 PolarHBondContact OG-O 2.85Å
301A77.2Confident86Confident55 Ų5573 Ų7346%0.45537%0.374SS..  trans-91.2139169.900000110.8F294 T303F294-A301 HydrophobicContact CD2-CB 3.66Å; F294-A301 HydrophobicContact CE2-CB 3.99Å; A301-T303 PolarHBondContact O-N 3.12Å
302T81.6Confident86.5Confident69 Ų6971.5 Ų71.542%0.42337%0.371SS..  trans-9398.5174.8-52.70000109L292 G304L292-T302 HydrophobicContact CD2-CG2 3.53Å; T302-G304 VanDerWaalsContact C-N 3.32Å; T302-G304 WeakPolarHBondContact CG2-O 3.39Å; T302-G304 PolarHBondContact O-N 3.12Å
303T81.9Confident86.7Confident113 Ų11373.5 Ų73.569%0.69338%0.381SS*.  trans-71.7-23.5-175490000114.3A301A301-T303 PolarHBondContact O-N 3.12Å
304G87.2Confident87.1Confident16 Ų1666.2 Ų66.217%0.16536%0.358CS..EExtended strand (participates in β ladder)trans-170.6171.8175.200000111.7T302 Y384T302-G304 VanDerWaalsContact C-N 3.32Å; T302-G304 WeakPolarHBondContact CG2-O 3.39Å; T302-G304 PolarHBondContact O-N 3.12Å; G304-Y384 CarbonylContact C-O 3.49Å; G304-Y384 WeakPolarHBondContact CA-O 3.22Å
305L92.3Very high88Confident40 Ų4068.1 Ų68.121%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-139.9120177-169.1152.2000111.4L292 V307 L330 Y384L292-L305 HydrophobicContact CD2-CB 3.94Å; L305-V307 HydrophobicContact CD2-CG1 3.65Å; L305-L330 HydrophobicContact CD1-CD1 4.23Å; L305-L330 HydrophobicContact CD2-CB 4.17Å; L305-L330 HydrophobicContact CD2-CD1 3.97Å; L305-Y384 PolarHBondContact N-O 2.77Å; L305-Y384 PolarHBondContact O-N 2.99Å
306R95.2Very high88.8Confident152 Ų15270.7 Ų70.757%0.57438%0.378SS*.EExtended strand (participates in β ladder)trans-75.1134.7176.5-58.3176.164150.8-3.6111.5E381 I382 E383 I393R306-E381 IonicContact CZ-OE2 2.72Å; R306-E381 IonicContact NE-OE2 3.64Å; R306-E381 PolarHBondContact NE-OE2 2.81Å; R306-E381 IonicContact NH2-OE2 2.78Å; R306-E381 PolarHBondContact NH2-OE2 2.83Å; R306-I382 CarbonylContact C-O 3.6Å; R306-I382 VanDerWaalsContact CA-O 3.3Å; R306-I382 WeakPolarHBondContact CA-O 3.24Å; R306-E383 HydrophobicContact CG-CG 4.43Å; R306-I393 HydrophobicContact CB-CD1 4.17Å; R306-I393 HydrophobicContact CG-CD1 3.64Å
307V96.8Very high89.9Confident4 Ų467.9 Ų67.92%0.02435%0.352CS..EExtended strand (participates in β ladder)trans-132.6149.5164.9-59.80000110.1L305 L330 E381 I382 Y384L305-V307 HydrophobicContact CD2-CG1 3.65Å; V307-L330 HydrophobicContact CG1-CB 3.83Å; V307-E381 WeakPolarHBondContact O-CA 3.49Å; V307-I382 HydrophobicContact CG2-CD1 3.66Å; V307-I382 HydrophobicContact CG2-CG1 3.53Å; V307-I382 PolarHBondContact N-O 3.13Å; V307-I382 PolarHBondContact O-N 2.8Å; V307-Y384 HydrophobicContact CB-CE2 4.45Å; V307-Y384 HydrophobicContact CG1-CD2 4.29Å; V307-Y384 HydrophobicContact CG1-CE2 4.02Å; V307-Y384 HydrophobicContact CG2-CD2 4.16Å; V307-Y384 HydrophobicContact CG2-CE2 3.52Å
308S97.8Very high90.9Very high23 Ų2362.5 Ų62.516%0.16133%0.327CS..EExtended strand (participates in β ladder)trans-90.8140.4176.1-177.20000111.5I310 Q331 E380S308-I310 WeakPolarHBondContact OG-CB 3.38Å; S308-I310 PolarHBondContact OG-N 3.21Å; S308-Q331 PolarHBondContact O-NE2 3.14Å; S308-Q331 PolarHBondContact O-OE1 2.92Å; S308-E380 CarbonylContact C-O 3.58Å; S308-E380 WeakPolarHBondContact CA-O 3.42Å; S308-E380 PolarHBondContact OG-O 2.85Å
309L98.2Very high91.9Very high0 Ų063.3 Ų63.30%034%0.343CS..SBendtrans-78.4-4.3168.4-57.5-168.2000111.9R317 L318 L368 I371 L372 T375 I379 E380 I382L309-R317 WeakPolarHBondContact O-CA 3.4Å; L309-L318 WeakPolarHBondContact O-CB 3.45Å; L309-L318 WeakPolarHBondContact O-CG 3.45Å; L309-L318 PolarHBondContact O-N 2.88Å; L309-L368 HydrophobicContact CD2-CD1 3.48Å; L309-L368 VanDerWaalsContact CD2-CD1 3.48Å; L309-L368 HydrophobicContact CD2-CG 4.45Å; L309-I371 HydrophobicContact CD1-CG2 4.48Å; L309-I371 HydrophobicContact CD2-CG2 4.28Å; L309-L372 HydrophobicContact CB-CD2 3.95Å; L309-L372 HydrophobicContact CD1-CD2 4.2Å; L309-L372 HydrophobicContact CD2-CD2 4.14Å; L309-L372 HydrophobicContact CD2-CG 4.47Å; L309-L372 HydrophobicContact CG-CD2 4.32Å; L309-T375 HydrophobicContact CD1-CG2 4.3Å; L309-T375 VanDerWaalsContact CD1-OG1 3.28Å; L309-T375 WeakPolarHBondContact CD1-OG1 3.31Å; L309-I379 HydrophobicContact CD1-CG2 4.27Å; L309-I379 WeakPolarHBondContact CD1-O 3.38Å; L309-E380 PolarHBondContact N-O 2.78Å; L309-I382 HydrophobicContact CD1-CG2 4.15Å; L309-I382 HydrophobicContact CD2-CG1 4.13Å; L309-I382 HydrophobicContact CD2-CG2 4.37Å; L309-I382 HydrophobicContact CG-CG2 4.36Å
310I98.1Very high92.9Very high30 Ų3054.8 Ų54.815%0.15431%0.305CS..BIsolated β-bridgetrans-88.2134.3175-52.8-54.6000110.9S308 R317 E380S308-I310 WeakPolarHBondContact OG-CB 3.38Å; S308-I310 PolarHBondContact OG-N 3.21Å; I310-R317 HydrophobicContact CD1-CB 4.33Å; I310-E380 HydrophobicContact CD1-CB 4.31Å; I310-E380 HydrophobicContact CD1-CG 4Å; I310-E380 HydrophobicContact CG1-CB 3.98Å; I310-E380 HydrophobicContact CG1-CG 4.09Å
311C98.3Very high93.9Very high1 Ų148.4 Ų48.41%0.00727%0.272CS..  trans-72.8124.2-179.9-178.70000111.8L313 V314 K315 M316 L318 D334C311-L313 PolarHBondContact O-N 2.78Å; C311-V314 HydrophobicContact CB-CG2 3.78Å; C311-V314 PolarHBondContact O-N 3.3Å; C311-V314 VanDerWaalsContact SG-CG2 3.6Å; C311-K315 WeakPolarHBondContact O-CA 3.48Å; C311-K315 PolarHBondContact O-N 3.48Å; C311-M316 VanDerWaalsContact CB-O 3.31Å; C311-M316 WeakPolarHBondContact CB-O 3.32Å; C311-M316 PolarHBondContact N-O 3.49Å; C311-L318 HydrophobicContact CB-CD2 3.68Å; C311-L318 HydrophobicContact CB-CG 4.2Å; C311-D334 HydrophobicContact CB-CB 4.28Å; C311-D334 VanDerWaalsContact SG-CB 3.57Å; C311-D334 PolarHBondContact SG-N 3.05Å
312P97.3Very high95Very high33 Ų3345.8 Ų45.821%0.21425%0.25CS..THydrogen-bonded Turntrans-64.9-24.6-178.725.8-35.3000113.8K315 C332 F333 V352P312-K315 WeakPolarHBondContact O-CE 3.38Å; P312-K315 PolarHBondContact O-NZ 2.91Å; P312-C332 VanDerWaalsContact CD-O 3.27Å; P312-C332 WeakPolarHBondContact CD-O 3.27Å; P312-F333 HydrophobicContact CG-CB 3.95Å; P312-V352 HydrophobicContact CB-CG2 4.47Å; P312-V352 HydrophobicContact CG-CG2 3.73Å
313L93.6Very high95.7Very high47 Ų4742.7 Ų42.725%0.24623%0.231CC..THydrogen-bonded Turntrans-72.3-54.4176.5-75.3165.7000112.9C311 F333 F338 M341 P351C311-L313 PolarHBondContact O-N 2.78Å; L313-F333 HydrophobicContact CD1-CB 4.32Å; L313-F333 HydrophobicContact CD1-CD2 4.46Å; L313-F338 HydrophobicContact CD1-CB 3.94Å; L313-F338 HydrophobicContact CD1-CD2 4.15Å; L313-M341 HydrophobicContact CD2-CE 4.35Å; L313-M341 HydrophobicContact CD2-SD 3.98Å; L313-P351 HydrophobicContact CD1-CB 4.45Å; L313-P351 HydrophobicContact CD1-CG 3.99Å; L313-P351 HydrophobicContact CD2-CB 3.47Å; L313-P351 VanDerWaalsContact CD2-CB 3.47Å; L313-P351 HydrophobicContact CD2-CG 3.93Å; L313-P351 HydrophobicContact CG-CB 3.66Å; L313-P351 HydrophobicContact CG-CG 3.68Å
314V94.6Very high96.3Very high36 Ų3637.3 Ų37.322%0.21820%0.198CC..THydrogen-bonded Turntrans-113.7-1.1-163.7-73.40000114.2C311 M316 F337C311-V314 HydrophobicContact CB-CG2 3.78Å; C311-V314 PolarHBondContact O-N 3.3Å; C311-V314 VanDerWaalsContact SG-CG2 3.6Å; V314-M316 HydrophobicContact CB-CE 4.37Å; V314-M316 HydrophobicContact CB-CG 4.17Å; V314-M316 HydrophobicContact CG2-CG 3.6Å; V314-M316 HydrophobicContact CG2-SD 4.13Å; V314-M316 PolarHBondContact O-N 3.43Å; V314-F337 HydrophobicContact CB-CG 4.49Å; V314-F337 HydrophobicContact CG1-CB 3.93Å; V314-F337 HydrophobicContact CG1-CD1 3.96Å; V314-F337 HydrophobicContact CG1-CD2 4.35Å; V314-F337 HydrophobicContact CG1-CG 3.82Å; V314-F337 HydrophobicContact CG2-CB 4.31Å; V314-F337 HydrophobicContact CG2-CD2 3.7Å; V314-F337 HydrophobicContact CG2-CE2 4.17Å; V314-F337 HydrophobicContact CG2-CG 4Å
315K95.8Very high96.5Very high157 Ų15739 Ų3968%0.68320%0.203SC*.SBendtrans55.533174.2-47.9-51.6-170.3-1680114.4C311 P312C311-K315 WeakPolarHBondContact O-CA 3.48Å; C311-K315 PolarHBondContact O-N 3.48Å; P312-K315 WeakPolarHBondContact O-CE 3.38Å; P312-K315 PolarHBondContact O-NZ 2.91Å
316M96.6Very high96.5Very high92 Ų9238.8 Ų38.845%0.45320%0.203SC..SBendtrans-125.9162.2170.659.7175.467.900109.2C311 V314 F337C311-M316 VanDerWaalsContact CB-O 3.31Å; C311-M316 WeakPolarHBondContact CB-O 3.32Å; C311-M316 PolarHBondContact N-O 3.49Å; V314-M316 HydrophobicContact CB-CE 4.37Å; V314-M316 HydrophobicContact CB-CG 4.17Å; V314-M316 HydrophobicContact CG2-CG 3.6Å; V314-M316 HydrophobicContact CG2-SD 4.13Å; V314-M316 PolarHBondContact O-N 3.43Å; M316-F337 HydrophobicContact CE-CE2 4.43Å; M316-F337 HydrophobicContact CE-CZ 4.1Å; M316-F337 HydrophobicContact SD-CD2 4.46Å; M316-F337 HydrophobicContact SD-CE2 3.51Å; M316-F337 VanDerWaalsContact SD-CE2 3.51Å; M316-F337 HydrophobicContact SD-CZ 3.7Å
317R98Very high96.4Very high55 Ų5531.7 Ų31.721%0.20818%0.177CC..BIsolated β-bridgetrans-50138.5173.7-168.3173.917984.23.1111.1L309 I310 G319 L372 T375 S376 I379L309-R317 WeakPolarHBondContact O-CA 3.4Å; I310-R317 HydrophobicContact CD1-CB 4.33Å; R317-G319 PolarHBondContact O-N 3.28Å; R317-L372 HydrophobicContact CG-CD2 4.17Å; R317-L372 PolarHBondContact NH2-O 2.69Å; R317-T375 PolarHBondContact NH2-O 3.32Å; R317-T375 PolarHBondContact NH2-OG1 2.82Å; R317-S376 PolarHBondContact NH1-O 2.8Å; R317-S376 PolarHBondContact NH2-O 2.64Å; R317-I379 PolarHBondContact NH1-O 2.83Å
318L98.5Very high96.1Very high7 Ų733.7 Ų33.74%0.03719%0.194CC..  trans-62.5125.4178.3-73.2162.5000110L309 C311 P321 C332 F333 D334 L368 L372L309-L318 WeakPolarHBondContact O-CB 3.45Å; L309-L318 WeakPolarHBondContact O-CG 3.45Å; L309-L318 PolarHBondContact O-N 2.88Å; C311-L318 HydrophobicContact CB-CD2 3.68Å; C311-L318 HydrophobicContact CB-CG 4.2Å; L318-P321 HydrophobicContact CD1-CB 4.33Å; L318-C332 HydrophobicContact CD1-CB 4.31Å; L318-F333 VanDerWaalsContact CD2-C 3.45Å; L318-D334 HydrophobicContact CD2-CB 4.14Å; L318-L368 HydrophobicContact CD1-CD2 4.11Å; L318-L372 HydrophobicContact CB-CD1 3.73Å; L318-L372 HydrophobicContact CB-CD2 4.18Å
319G97.5Very high95.9Very high62 Ų6233.9 Ų33.964%0.63919%0.192SC*.SBendtrans-88.7-39.7171.200000111.7R317 D334R317-G319 PolarHBondContact O-N 3.28Å; G319-D334 WeakPolarHBondContact CA-OD2 3.48Å; G319-D334 PolarHBondContact N-OD2 3.18Å
320V98.2Very high95.7Very high24 Ų2434.2 Ų34.215%0.14519%0.194CC..SBendtrans-136.6103.1172.7-174.90000110F270 C322 D334 A335 V336 I364F270-V320 HydrophobicContact CE2-CB 4.31Å; F270-V320 HydrophobicContact CE2-CG1 4.18Å; F270-V320 HydrophobicContact CE2-CG2 3.82Å; F270-V320 HydrophobicContact CZ-CG2 3.85Å; V320-C322 PolarHBondContact O-N 3.45Å; V320-D334 PolarHBondContact N-OD2 3.41Å; V320-D334 WeakPolarHBondContact O-CA 3.22Å; V320-A335 HydrophobicContact CB-CB 3.92Å; V320-A335 HydrophobicContact CG1-CB 3.78Å; V320-A335 PolarHBondContact O-N 2.95Å; V320-V336 HydrophobicContact CG2-CG2 4.35Å; V320-I364 HydrophobicContact CG1-CD1 3.8Å; V320-I364 HydrophobicContact CG1-CG1 3.88Å; V320-I364 HydrophobicContact CG1-CG2 3.84Å
321P98.4Very high95.7Very high1 Ų134.6 Ų34.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-69.9117.3-178.229.2-34.1000110.8L318 C332 I364 D365 L368 S369 L372L318-P321 HydrophobicContact CD1-CB 4.33Å; P321-C332 HydrophobicContact CB-CB 3.82Å; P321-I364 CarbonylContact O-C 3.45Å; P321-I364 WeakPolarHBondContact O-CA 3.3Å; P321-D365 PolarHBondContact O-N 3.03Å; P321-L368 HydrophobicContact CB-CB 3.94Å; P321-L368 HydrophobicContact CB-CD2 3.74Å; P321-L368 HydrophobicContact CB-CG 3.89Å; P321-L368 HydrophobicContact CG-CB 3.92Å; P321-L368 HydrophobicContact CG-CG 4.2Å; P321-S369 WeakPolarHBondContact CD-OG 3.47Å; P321-S369 WeakPolarHBondContact CG-OG 3.42Å; P321-L372 HydrophobicContact CB-CD1 4.18Å; P321-L372 HydrophobicContact CG-CD1 3.78Å
322C98.4Very high95.7Very high0 Ų034.6 Ų34.60%020%0.195CC..EExtended strand (participates in β ladder)trans-121.6147.9-179.9-1730000111.3V320 C332 F333 A335 T363V320-C322 PolarHBondContact O-N 3.45Å; C322-C332 WeakPolarHBondContact O-CA 3.4Å; C322-C332 VanDerWaalsContact O-CB 3.31Å; C322-C332 WeakPolarHBondContact O-CB 3.33Å; C322-F333 WeakPolarHBondContact CA-O 3.37Å; C322-F333 HydrophobicContact CB-CD2 4.31Å; C322-F333 HydrophobicContact CB-CE2 4.05Å; C322-F333 WeakPolarHBondContact CB-O 3.31Å; C322-F333 PolarHBondContact N-O 3.44Å; C322-F333 WeakPolarHBondContact O-CD1 3.17Å; C322-F333 PolarHBondContact O-N 3.16Å; C322-A335 HydrophobicContact CB-CB 3.78Å; C322-T363 WeakPolarHBondContact CA-O 3.26Å; C322-T363 PolarHBondContact SG-O 3.41Å; C322-T363 VanDerWaalsContact SG-O 3.39Å
323R96.3Very high95.8Very high4 Ų433 Ų332%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-138.2163.6176.862.9179.4-60.1103.510.5109.7R287 C327 H329 L362 T363R287-R323 VanDerWaalsContact NH2-CD 3.25Å; R323-C327 PolarHBondContact NH2-O 2.85Å; R323-H329 PolarHBondContact NH1-O 2.87Å; R323-H329 PolarHBondContact NH2-O 3.08Å; R323-L362 WeakPolarHBondContact O-CA 3.42Å; R323-T363 HydrophobicContact CG-CG2 3.55Å; R323-T363 PolarHBondContact N-O 3.48Å; R323-T363 PolarHBondContact O-N 3.01Å
324V96.3Very high96Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-94.3140165-156.50000108.6T326 C327 F333 C350 A357 L361 L362V324-T326 WeakPolarHBondContact CG1-OG1 3.49Å; V324-T326 PolarHBondContact O-N 3.06Å; V324-C327 HydrophobicContact CB-CB 4.25Å; V324-C327 WeakPolarHBondContact O-CB 3.31Å; V324-C327 PolarHBondContact O-N 2.82Å; V324-F333 HydrophobicContact CG2-CE1 4.29Å; V324-F333 HydrophobicContact CG2-CZ 4.27Å; V324-C350 HydrophobicContact CG2-CB 4.16Å; V324-A357 HydrophobicContact CG2-CB 3.47Å; V324-A357 VanDerWaalsContact CG2-CB 3.47Å; V324-L361 CarbonylContact C-O 3.53Å; V324-L361 VanDerWaalsContact CA-O 3.32Å; V324-L361 WeakPolarHBondContact CA-O 3.33Å; V324-L361 HydrophobicContact CG1-CB 3.63Å; V324-L361 WeakPolarHBondContact CG1-O 3.44Å; V324-L362 HydrophobicContact CG2-CD2 4.3Å
325L90.9Very high96.2Very high50 Ų5029.3 Ų29.326%0.26216%0.164SC..THydrogen-bonded Turntrans-57.6-34.1177.5-68.2171.2000112.9C327 L361 T363L325-C327 VanDerWaalsContact C-N 3.28Å; L325-C327 PolarHBondContact O-N 2.96Å; L325-L361 HydrophobicContact CD1-CD2 4.44Å; L325-L361 PolarHBondContact N-O 2.92Å; L325-T363 HydrophobicContact CD2-CG2 3.73Å; L325-T363 HydrophobicContact CG-CG2 4.3Å
326T91Very high96.3Very high37 Ų3723.5 Ų23.523%0.22714%0.141CC..THydrogen-bonded Turntrans-78.3-3.5178.349.90000114.6V324 L361V324-T326 WeakPolarHBondContact CG1-OG1 3.49Å; V324-T326 PolarHBondContact O-N 3.06Å; T326-L361 HydrophobicContact CG2-CD1 3.92Å
327C93.8Very high96.4Very high3 Ų322.4 Ų22.42%0.0214%0.135CC..  trans-87.4128.2-176.3-78.40000112.9R323 V324 L325 H329 C353R323-C327 PolarHBondContact NH2-O 2.85Å; V324-C327 HydrophobicContact CB-CB 4.25Å; V324-C327 WeakPolarHBondContact O-CB 3.31Å; V324-C327 PolarHBondContact O-N 2.82Å; L325-C327 VanDerWaalsContact C-N 3.28Å; L325-C327 PolarHBondContact O-N 2.96Å; C327-H329 VanDerWaalsContact CB-NE2 3.31Å; C327-H329 WeakPolarHBondContact CB-NE2 3.3Å; C327-H329 PolarHBondContact SG-NE2 2.91Å; C327-H329 VanDerWaalsContact SG-NE2 3.38Å; C327-C353 VanDerWaalsContact SG-SG 3.66Å
328A90.9Very high96.4Very high45 Ų4519.8 Ų19.837%0.37213%0.125SC..  trans-83.7-7.2-178.400000114.3K291K291-A328 PolarHBondContact NZ-O 3.39Å
329H93.5Very high96.4Very high27 Ų2719.5 Ų19.513%0.12512%0.123CC..  trans-80.5162.6173.553.284000111.8R323 C327 Q331 C350 V352 C353R323-H329 PolarHBondContact NH1-O 2.87Å; R323-H329 PolarHBondContact NH2-O 3.08Å; C327-H329 VanDerWaalsContact CB-NE2 3.31Å; C327-H329 WeakPolarHBondContact CB-NE2 3.3Å; C327-H329 PolarHBondContact SG-NE2 2.91Å; C327-H329 VanDerWaalsContact SG-NE2 3.38Å; H329-Q331 PolarHBondContact CE1-O 3.44Å; H329-Q331 PolarHBondContact ND1-O 3.21Å; H329-C350 PolarHBondContact NE2-SG 3.29Å; H329-C350 VanDerWaalsContact NE2-SG 3.41Å; H329-V352 HydrophobicContact CB-CG1 4.02Å; H329-V352 VanDerWaalsContact CG-CG1 3.47Å; H329-C353 VanDerWaalsContact CD2-SG 3.54Å; H329-C353 PolarHBondContact NE2-SG 2.93Å; H329-C353 VanDerWaalsContact NE2-SG 3.38Å
330L94.8Very high96.4Very high8 Ų820.2 Ų20.24%0.04211%0.11CC..  trans-100-28.1170.6-69.3177.6000112.3R287 I288 K291 L305 V307 C332 Y384R287-L330 HydrophobicContact CG-CD2 3.85Å; I288-L330 HydrophobicContact CG1-CD1 3.8Å; I288-L330 HydrophobicContact CG1-CD2 3.99Å; K291-L330 HydrophobicContact CD-CD1 3.97Å; K291-L330 HydrophobicContact CD-CD2 4.39Å; K291-L330 HydrophobicContact CD-CG 3.97Å; L305-L330 HydrophobicContact CD1-CD1 4.23Å; L305-L330 HydrophobicContact CD2-CB 4.17Å; L305-L330 HydrophobicContact CD2-CD1 3.97Å; V307-L330 HydrophobicContact CG1-CB 3.83Å; L330-C332 PolarHBondContact O-N 2.99Å; L330-Y384 HydrophobicContact CD1-CD2 4.21Å
331Q97.8Very high96.3Very high38 Ų3822.2 Ų22.218%0.17812%0.118CC..  trans-49.4130.3171.8-175.258.951.300111.7S308 H329 V352S308-Q331 PolarHBondContact O-NE2 3.14Å; S308-Q331 PolarHBondContact O-OE1 2.92Å; H329-Q331 PolarHBondContact CE1-O 3.44Å; H329-Q331 PolarHBondContact ND1-O 3.21Å; Q331-V352 HydrophobicContact CB-CG1 4.11Å; Q331-V352 HydrophobicContact CG-CG1 4.36Å; Q331-V352 HydrophobicContact CG-CG2 4.09Å
332C98.5Very high96.2Very high0 Ų022.1 Ų22.10%012%0.118CC..  trans-101.3167.5175.1-69.50000111.6P312 L318 P321 C322 L330 L368P312-C332 VanDerWaalsContact CD-O 3.27Å; P312-C332 WeakPolarHBondContact CD-O 3.27Å; L318-C332 HydrophobicContact CD1-CB 4.31Å; P321-C332 HydrophobicContact CB-CB 3.82Å; C322-C332 WeakPolarHBondContact O-CA 3.4Å; C322-C332 VanDerWaalsContact O-CB 3.31Å; C322-C332 WeakPolarHBondContact O-CB 3.33Å; L330-C332 PolarHBondContact O-N 2.99Å; C332-L368 HydrophobicContact CB-CD2 3.77Å
333F98.7Very high96Very high0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-128.1160.4170.756.8-94.7000109.8P312 L313 L318 C322 V324 A335 F338 P351 L362P312-F333 HydrophobicContact CG-CB 3.95Å; L313-F333 HydrophobicContact CD1-CB 4.32Å; L313-F333 HydrophobicContact CD1-CD2 4.46Å; L318-F333 VanDerWaalsContact CD2-C 3.45Å; C322-F333 WeakPolarHBondContact CA-O 3.37Å; C322-F333 HydrophobicContact CB-CD2 4.31Å; C322-F333 HydrophobicContact CB-CE2 4.05Å; C322-F333 WeakPolarHBondContact CB-O 3.31Å; C322-F333 PolarHBondContact N-O 3.44Å; C322-F333 WeakPolarHBondContact O-CD1 3.17Å; C322-F333 PolarHBondContact O-N 3.16Å; V324-F333 HydrophobicContact CG2-CE1 4.29Å; V324-F333 HydrophobicContact CG2-CZ 4.27Å; F333-A335 PolarHBondContact O-N 3.16Å; F333-F338 HydrophobicContact CD2-CB 3.81Å; F333-F338 HydrophobicContact CD2-CD2 4.17Å; F333-F338 AromaticContact CD2-CG 3.95Å; F333-F338 HydrophobicContact CD2-CG 3.95Å; F333-F338 HydrophobicContact CE2-CB 3.84Å; F333-F338 AromaticContact CE2-CD1 3.8Å; F333-F338 HydrophobicContact CE2-CD1 3.8Å; F333-F338 AromaticContact CE2-CD2 3.93Å; F333-F338 HydrophobicContact CE2-CD2 3.93Å; F333-F338 HydrophobicContact CE2-CE1 4.34Å; F333-F338 HydrophobicContact CE2-CE2 4.45Å; F333-F338 AromaticContact CE2-CG 3.57Å; F333-F338 HydrophobicContact CE2-CG 3.57Å; F333-P351 HydrophobicContact CB-CG 3.59Å; F333-P351 HydrophobicContact CD1-CG 3.73Å; F333-P351 HydrophobicContact CD2-CG 4.21Å; F333-P351 HydrophobicContact CE1-CG 4.49Å; F333-P351 HydrophobicContact CG-CG 3.56Å; F333-L362 HydrophobicContact CE2-CD2 4.4Å; F333-L362 HydrophobicContact CZ-CD2 3.99Å
334D98.6Very high95.6Very high4 Ų431.8 Ų31.82%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-74.4128-175.4-171.6-85.8000112.3C311 L318 G319 V320 V336 F337 F338C311-D334 HydrophobicContact CB-CB 4.28Å; C311-D334 VanDerWaalsContact SG-CB 3.57Å; C311-D334 PolarHBondContact SG-N 3.05Å; L318-D334 HydrophobicContact CD2-CB 4.14Å; G319-D334 WeakPolarHBondContact CA-OD2 3.48Å; G319-D334 PolarHBondContact N-OD2 3.18Å; V320-D334 PolarHBondContact N-OD2 3.41Å; V320-D334 WeakPolarHBondContact O-CA 3.22Å; D334-V336 PolarHBondContact O-N 3.25Å; D334-V336 WeakPolarHBondContact OD1-CA 3.37Å; D334-V336 WeakPolarHBondContact OD1-CB 3.41Å; D334-V336 PolarHBondContact OD1-N 2.88Å; D334-F337 HydrophobicContact CB-CB 4.41Å; D334-F337 HydrophobicContact CB-CD2 3.97Å; D334-F337 WeakPolarHBondContact OD1-CD2 3.43Å; D334-F337 PolarHBondContact OD1-N 2.91Å; D334-F338 WeakPolarHBondContact O-CB 3.41Å; D334-F338 PolarHBondContact O-N 3.18Å
335A98.3Very high95.3Very high1 Ų136.7 Ų36.71%0.00818%0.182CC..Hα-helixtrans-60.9-43.8-17900000113.1F270 L273 V320 C322 F333 L339F270-A335 HydrophobicContact CD2-CB 4.4Å; F270-A335 HydrophobicContact CE2-CB 4.44Å; L273-A335 HydrophobicContact CD2-CB 4.15Å; V320-A335 HydrophobicContact CB-CB 3.92Å; V320-A335 HydrophobicContact CG1-CB 3.78Å; V320-A335 PolarHBondContact O-N 2.95Å; C322-A335 HydrophobicContact CB-CB 3.78Å; F333-A335 PolarHBondContact O-N 3.16Å; A335-L339 WeakPolarHBondContact O-CB 3.42Å; A335-L339 VanDerWaalsContact O-CG 3.27Å; A335-L339 WeakPolarHBondContact O-CG 3.49Å; A335-L339 PolarHBondContact O-N 3.12Å
336V98.1Very high95.3Very high35 Ų3536.9 Ų36.921%0.21219%0.186CC..Hα-helixtrans-71.8-49.4-171.6-177.70000109.4F270 V320 D334 F338 L339 Q340F270-V336 HydrophobicContact CD1-CG2 4.26Å; F270-V336 HydrophobicContact CD2-CG2 3.88Å; F270-V336 HydrophobicContact CE1-CG2 3.99Å; F270-V336 HydrophobicContact CE2-CG2 3.61Å; F270-V336 HydrophobicContact CG-CG2 4.18Å; F270-V336 HydrophobicContact CZ-CG2 3.63Å; V320-V336 HydrophobicContact CG2-CG2 4.35Å; D334-V336 PolarHBondContact O-N 3.25Å; D334-V336 WeakPolarHBondContact OD1-CA 3.37Å; D334-V336 WeakPolarHBondContact OD1-CB 3.41Å; D334-V336 PolarHBondContact OD1-N 2.88Å; V336-F338 VanDerWaalsContact C-N 3.34Å; V336-F338 PolarHBondContact O-N 2.93Å; V336-L339 PolarHBondContact O-N 3.35Å; V336-Q340 VanDerWaalsContact O-CG 3.32Å; V336-Q340 WeakPolarHBondContact O-CG 3.5Å; V336-Q340 PolarHBondContact O-N 2.86Å
337F98.2Very high95.3Very high70 Ų7038.1 Ų38.131%0.30719%0.194SC..Hα-helixtrans-66.3-34.5177.4-68.2-70.3000112.6V314 M316 D334 M341V314-F337 HydrophobicContact CB-CG 4.49Å; V314-F337 HydrophobicContact CG1-CB 3.93Å; V314-F337 HydrophobicContact CG1-CD1 3.96Å; V314-F337 HydrophobicContact CG1-CD2 4.35Å; V314-F337 HydrophobicContact CG1-CG 3.82Å; V314-F337 HydrophobicContact CG2-CB 4.31Å; V314-F337 HydrophobicContact CG2-CD2 3.7Å; V314-F337 HydrophobicContact CG2-CE2 4.17Å; V314-F337 HydrophobicContact CG2-CG 4Å; M316-F337 HydrophobicContact CE-CE2 4.43Å; M316-F337 HydrophobicContact CE-CZ 4.1Å; M316-F337 HydrophobicContact SD-CD2 4.46Å; M316-F337 HydrophobicContact SD-CE2 3.51Å; M316-F337 VanDerWaalsContact SD-CE2 3.51Å; M316-F337 HydrophobicContact SD-CZ 3.7Å; D334-F337 HydrophobicContact CB-CB 4.41Å; D334-F337 HydrophobicContact CB-CD2 3.97Å; D334-F337 WeakPolarHBondContact OD1-CD2 3.43Å; D334-F337 PolarHBondContact OD1-N 2.91Å; F337-M341 VanDerWaalsContact O-CB 3.31Å; F337-M341 WeakPolarHBondContact O-CB 3.46Å; F337-M341 PolarHBondContact O-N 2.81Å
338F98.4Very high95.4Very high0 Ų039.9 Ų39.90%020%0.2CC..Hα-helixtrans-64.3-42.4173.6-176.7-105000112.3L313 F333 D334 V336 M341 N342 W348 T349 A357 L362L313-F338 HydrophobicContact CD1-CB 3.94Å; L313-F338 HydrophobicContact CD1-CD2 4.15Å; F333-F338 HydrophobicContact CD2-CB 3.81Å; F333-F338 HydrophobicContact CD2-CD2 4.17Å; F333-F338 AromaticContact CD2-CG 3.95Å; F333-F338 HydrophobicContact CD2-CG 3.95Å; F333-F338 HydrophobicContact CE2-CB 3.84Å; F333-F338 AromaticContact CE2-CD1 3.8Å; F333-F338 HydrophobicContact CE2-CD1 3.8Å; F333-F338 AromaticContact CE2-CD2 3.93Å; F333-F338 HydrophobicContact CE2-CD2 3.93Å; F333-F338 HydrophobicContact CE2-CE1 4.34Å; F333-F338 HydrophobicContact CE2-CE2 4.45Å; F333-F338 AromaticContact CE2-CG 3.57Å; F333-F338 HydrophobicContact CE2-CG 3.57Å; D334-F338 WeakPolarHBondContact O-CB 3.41Å; D334-F338 PolarHBondContact O-N 3.18Å; V336-F338 VanDerWaalsContact C-N 3.34Å; V336-F338 PolarHBondContact O-N 2.93Å; F338-M341 HydrophobicContact CD2-CE 3.86Å; F338-M341 HydrophobicContact CE2-CE 3.92Å; F338-M341 PolarHBondContact O-N 3.32Å; F338-N342 WeakPolarHBondContact CE1-ND2 3.35Å; F338-N342 VanDerWaalsContact CE2-ND2 3.32Å; F338-N342 WeakPolarHBondContact CE2-ND2 3.46Å; F338-N342 WeakPolarHBondContact CZ-ND2 3.47Å; F338-N342 PolarHBondContact O-N 2.88Å; F338-N342 PolarHBondContact O-ND2 2.86Å; F338-W348 AromaticContact CE1-CE3 3.89Å; F338-W348 HydrophobicContact CE1-CE3 3.89Å; F338-W348 HydrophobicContact CE1-CZ3 4.03Å; F338-W348 HydrophobicContact CZ-CE3 4.25Å; F338-T349 WeakPolarHBondContact CE2-O 3.32Å; F338-A357 HydrophobicContact CZ-CB 3.86Å; F338-L362 HydrophobicContact CD1-CD1 3.98Å; F338-L362 HydrophobicContact CD1-CD2 4.29Å; F338-L362 HydrophobicContact CE1-CD1 3.89Å; F338-L362 HydrophobicContact CE1-CD2 3.85Å; F338-L362 HydrophobicContact CE1-CG 4.46Å
339L98.3Very high95.7Very high0 Ų040.1 Ų40.10%020%0.197CC..Hα-helixtrans-68.4-43.1176.8-70.2169.3000111.8A266 L269 F270 A335 V336 M341 N342 E343 W348 F359 L362A266-L339 HydrophobicContact CB-CB 3.92Å; L269-L339 HydrophobicContact CB-CD1 4.26Å; L269-L339 HydrophobicContact CB-CD2 4.07Å; L269-L339 HydrophobicContact CD1-CD2 4.38Å; F270-L339 HydrophobicContact CB-CD1 3.78Å; A335-L339 WeakPolarHBondContact O-CB 3.42Å; A335-L339 VanDerWaalsContact O-CG 3.27Å; A335-L339 WeakPolarHBondContact O-CG 3.49Å; A335-L339 PolarHBondContact O-N 3.12Å; V336-L339 PolarHBondContact O-N 3.35Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 2.89Å; L339-N342 PolarHBondContact O-N 3.07Å; L339-E343 PolarHBondContact O-N 3.34Å; L339-W348 HydrophobicContact CD2-CH2 4.16Å; L339-W348 HydrophobicContact CD2-CZ3 4.2Å; L339-F359 HydrophobicContact CD2-CD2 3.85Å; L339-F359 HydrophobicContact CD2-CE2 4.06Å; L339-L362 HydrophobicContact CD2-CD1 4.31Å
340Q97.1Very high95.9Very high77 Ų7738.9 Ų38.936%0.3619%0.191SC..Hα-helixtrans-60.2-41174.4-72.1176.84.100112.5A266 V336 E343 K344A266-Q340 HydrophobicContact CB-CB 4.39Å; A266-Q340 HydrophobicContact CB-CG 3.85Å; V336-Q340 VanDerWaalsContact O-CG 3.32Å; V336-Q340 WeakPolarHBondContact O-CG 3.5Å; V336-Q340 PolarHBondContact O-N 2.86Å; Q340-E343 PolarHBondContact O-N 2.82Å; Q340-K344 PolarHBondContact O-N 3.47Å
341M95.8Very high96Very high66 Ų6640.1 Ų40.133%0.32520%0.2SC..Hα-helixtrans-60.6-47.7174.3-177.7-172.371.600110.7L313 F337 F338 L339 E343 K344 K345L313-M341 HydrophobicContact CD2-CE 4.35Å; L313-M341 HydrophobicContact CD2-SD 3.98Å; F337-M341 VanDerWaalsContact O-CB 3.31Å; F337-M341 WeakPolarHBondContact O-CB 3.46Å; F337-M341 PolarHBondContact O-N 2.81Å; F338-M341 HydrophobicContact CD2-CE 3.86Å; F338-M341 HydrophobicContact CE2-CE 3.92Å; F338-M341 PolarHBondContact O-N 3.32Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 2.89Å; M341-E343 PolarHBondContact O-N 2.69Å; M341-K344 PolarHBondContact O-N 3.15Å; M341-K345 CarbonylContact O-C 3.59Å; M341-K345 PolarHBondContact O-N 2.84Å
342N95.9Very high96Very high0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-70.8-27.4-178.5-77.9-74.4000113.6F123 F338 L339 K345 P346 T347 W348F123-N342 VanDerWaalsContact CE2-C 3.49Å; F123-N342 HydrophobicContact CE2-CB 4.06Å; F123-N342 HydrophobicContact CZ-CB 4.34Å; F338-N342 WeakPolarHBondContact CE1-ND2 3.35Å; F338-N342 VanDerWaalsContact CE2-ND2 3.32Å; F338-N342 WeakPolarHBondContact CE2-ND2 3.46Å; F338-N342 WeakPolarHBondContact CZ-ND2 3.47Å; F338-N342 PolarHBondContact O-N 2.88Å; F338-N342 PolarHBondContact O-ND2 2.86Å; L339-N342 PolarHBondContact O-N 3.07Å; N342-K345 CarbonylContact O-C 3.57Å; N342-P346 VanDerWaalsContact O-CA 3.22Å; N342-P346 WeakPolarHBondContact O-CA 3.4Å; N342-P346 WeakPolarHBondContact O-CB 3.36Å; N342-P346 VanDerWaalsContact O-CD 3.3Å; N342-P346 WeakPolarHBondContact O-CD 3.48Å; N342-T347 PolarHBondContact OD1-N 2.81Å; N342-W348 HydrophobicContact CB-CD2 4.22Å; N342-W348 HydrophobicContact CB-CE3 4.21Å; N342-W348 HydrophobicContact CB-CH2 3.96Å; N342-W348 HydrophobicContact CB-CZ2 3.95Å; N342-W348 HydrophobicContact CB-CZ3 4.08Å; N342-W348 PolarHBondContact OD1-N 2.9Å
343E94.3Very high95.9Very high42 Ų4242.8 Ų42.820%0.19622%0.22CC..Hα-helixtrans-64.1-45.2171.8-160-163.2131.900110.6F123 R168 A266 L339 Q340 M341F123-E343 HydrophobicContact CD1-CB 4.4Å; F123-E343 HydrophobicContact CD1-CG 3.99Å; F123-E343 HydrophobicContact CE1-CB 3.75Å; F123-E343 HydrophobicContact CE1-CG 3.78Å; F123-E343 HydrophobicContact CE2-CB 4.2Å; F123-E343 HydrophobicContact CZ-CB 3.64Å; F123-E343 HydrophobicContact CZ-CG 4.14Å; R168-E343 IonicContact CZ-OE1 2.67Å; R168-E343 IonicContact NH1-OE1 3.21Å; R168-E343 PolarHBondContact NH1-OE1 3.27Å; R168-E343 IonicContact NH1-OE2 2.68Å; R168-E343 IonicContact NH2-OE1 2.77Å; R168-E343 PolarHBondContact NH2-OE1 3.38Å; A266-E343 WeakPolarHBondContact CB-OE2 3.2Å; A266-E343 PolarHBondContact N-OE2 2.9Å; L339-E343 PolarHBondContact O-N 3.34Å; Q340-E343 PolarHBondContact O-N 2.82Å; M341-E343 PolarHBondContact O-N 2.69Å
344K89.5Confident95.8Very high164 Ų16449.1 Ų49.171%0.71325%0.254SS*.Hα-helixtrans-72.4-41.7177.2-66.1-178.4-179.7179.60112.2R226 Q340 M341R226-K344 PolarHBondContact NH1-O 2.77Å; R226-K344 PolarHBondContact NH2-O 3.22Å; Q340-K344 PolarHBondContact O-N 3.47Å; M341-K344 PolarHBondContact O-N 3.15Å
345K89.2Confident95.7Very high103 Ų10351.8 Ų51.845%0.44827%0.265SS..SBendtrans-147.292.8-178.6-170.3179.7-177.8179.90110.2M341 N342 T347M341-K345 CarbonylContact O-C 3.59Å; M341-K345 PolarHBondContact O-N 2.84Å; N342-K345 CarbonylContact O-C 3.57Å; K345-T347 HydrophobicContact CD-CG2 4.41Å; K345-T347 HydrophobicContact CG-CG2 4.15Å; K345-T347 PolarHBondContact O-N 2.81Å
346P90.7Very high95.5Very high55 Ų5556 Ų5636%0.35729%0.293SS..  trans-69.3101.4-178.826.7-31.9000109.3R226 N342R226-P346 VanDerWaalsContact CZ-CD 3.46Å; N342-P346 VanDerWaalsContact O-CA 3.22Å; N342-P346 WeakPolarHBondContact O-CA 3.4Å; N342-P346 WeakPolarHBondContact O-CB 3.36Å; N342-P346 VanDerWaalsContact O-CD 3.3Å; N342-P346 WeakPolarHBondContact O-CD 3.48Å
347T91.9Very high95.5Very high62 Ų6254.4 Ų54.438%0.3828%0.283SS..  trans-106-21.7171.857.70000111.6N342 K345 T349N342-T347 PolarHBondContact OD1-N 2.81Å; K345-T347 HydrophobicContact CD-CG2 4.41Å; K345-T347 HydrophobicContact CG-CG2 4.15Å; K345-T347 PolarHBondContact O-N 2.81Å; T347-T349 PolarHBondContact O-N 3Å; T347-T349 PolarHBondContact O-OG1 2.78Å
348W95.4Very high95.3Very high40 Ų4053 Ų5315%0.15228%0.281CS..  trans37.950.1-178.3-59.7110.6000112P122 F123 L269 F338 L339 N342 A357 F359 L362P122-W348 HydrophobicContact CB-CH2 4.02Å; P122-W348 HydrophobicContact CB-CZ2 3.83Å; P122-W348 HydrophobicContact CG-CH2 4.04Å; P122-W348 HydrophobicContact CG-CZ2 3.63Å; F123-W348 AromaticContact CD2-CZ2 3.96Å; F123-W348 HydrophobicContact CD2-CZ2 3.96Å; F123-W348 AromaticContact CE2-CH2 3.83Å; F123-W348 HydrophobicContact CE2-CH2 3.83Å; F123-W348 AromaticContact CE2-CZ2 3.42Å; F123-W348 HydrophobicContact CE2-CZ2 3.42Å; F123-W348 VanDerWaalsContact CE2-CZ2 3.42Å; F123-W348 HydrophobicContact CZ-CH2 4.16Å; F123-W348 HydrophobicContact CZ-CZ2 4.21Å; L269-W348 HydrophobicContact CD1-CH2 4.46Å; F338-W348 AromaticContact CE1-CE3 3.89Å; F338-W348 HydrophobicContact CE1-CE3 3.89Å; F338-W348 HydrophobicContact CE1-CZ3 4.03Å; F338-W348 HydrophobicContact CZ-CE3 4.25Å; L339-W348 HydrophobicContact CD2-CH2 4.16Å; L339-W348 HydrophobicContact CD2-CZ3 4.2Å; N342-W348 HydrophobicContact CB-CD2 4.22Å; N342-W348 HydrophobicContact CB-CE3 4.21Å; N342-W348 HydrophobicContact CB-CH2 3.96Å; N342-W348 HydrophobicContact CB-CZ2 3.95Å; N342-W348 HydrophobicContact CB-CZ3 4.08Å; N342-W348 PolarHBondContact OD1-N 2.9Å; W348-A357 PolarHBondContact O-N 2.88Å; W348-F359 HydrophobicContact CH2-CB 4.01Å; W348-F359 HydrophobicContact CH2-CD2 4.5Å; W348-F359 HydrophobicContact CZ3-CB 3.94Å; W348-L362 HydrophobicContact CZ3-CD1 4.45Å
349T96.5Very high95.2Very high51 Ų5153.6 Ų53.631%0.31328%0.283SS..BIsolated β-bridgetrans-124.3128.5-172.8-64.80000108.7F338 T347 D354F338-T349 WeakPolarHBondContact CE2-O 3.32Å; T347-T349 PolarHBondContact O-N 3Å; T347-T349 PolarHBondContact O-OG1 2.78Å; T349-D354 HydrophobicContact CG2-CB 4.29Å
350C97.9Very high94.9Very high0 Ų057.9 Ų57.90%030%0.303CS..  trans-70.9121.5-173.9-175.60000111.8V324 H329 V352 C353 D354 K355 A357V324-C350 HydrophobicContact CG2-CB 4.16Å; H329-C350 PolarHBondContact NE2-SG 3.29Å; H329-C350 VanDerWaalsContact NE2-SG 3.41Å; C350-V352 PolarHBondContact O-N 2.91Å; C350-C353 PolarHBondContact O-N 3.45Å; C350-D354 WeakPolarHBondContact O-CA 3.38Å; C350-D354 PolarHBondContact O-N 3.18Å; C350-K355 WeakPolarHBondContact CB-O 3.21Å; C350-K355 PolarHBondContact N-O 3.28Å; C350-A357 HydrophobicContact CB-CB 4.06Å
351P97.4Very high94.9Very high35 Ų3557.1 Ų57.123%0.22730%0.301CS..THydrogen-bonded Turntrans-73.510.3-173.933.6-40.4000115.3L313 F333L313-P351 HydrophobicContact CD1-CB 4.45Å; L313-P351 HydrophobicContact CD1-CG 3.99Å; L313-P351 HydrophobicContact CD2-CB 3.47Å; L313-P351 VanDerWaalsContact CD2-CB 3.47Å; L313-P351 HydrophobicContact CD2-CG 3.93Å; L313-P351 HydrophobicContact CG-CB 3.66Å; L313-P351 HydrophobicContact CG-CG 3.68Å; F333-P351 HydrophobicContact CB-CG 3.59Å; F333-P351 HydrophobicContact CD1-CG 3.73Å; F333-P351 HydrophobicContact CD2-CG 4.21Å; F333-P351 HydrophobicContact CE1-CG 4.49Å; F333-P351 HydrophobicContact CG-CG 3.56Å
352V97.6Very high94.9Very high50 Ų5054 Ų5430%0.30329%0.286SS..THydrogen-bonded Turntrans-116.4-22.4178.6178.90000111.8P312 H329 Q331 C350P312-V352 HydrophobicContact CB-CG2 4.47Å; P312-V352 HydrophobicContact CG-CG2 3.73Å; H329-V352 HydrophobicContact CB-CG1 4.02Å; H329-V352 VanDerWaalsContact CG-CG1 3.47Å; Q331-V352 HydrophobicContact CB-CG1 4.11Å; Q331-V352 HydrophobicContact CG-CG1 4.36Å; Q331-V352 HydrophobicContact CG-CG2 4.09Å; C350-V352 PolarHBondContact O-N 2.91Å
353C96.6Very high95Very high44 Ų4454.3 Ų54.330%0.29729%0.288SS..THydrogen-bonded Turntrans-15211.2-175.568.10000115.6C327 H329 C350 K355C327-C353 VanDerWaalsContact SG-SG 3.66Å; H329-C353 VanDerWaalsContact CD2-SG 3.54Å; H329-C353 PolarHBondContact NE2-SG 2.93Å; H329-C353 VanDerWaalsContact NE2-SG 3.38Å; C350-C353 PolarHBondContact O-N 3.45Å; C353-K355 PolarHBondContact O-N 3.22Å
354D96.3Very high95.2Very high133 Ų13352.7 Ų52.771%0.71128%0.28SS*.  trans54.516.5175.4-55.3-53.2000116T349 C350T349-D354 HydrophobicContact CG2-CB 4.29Å; C350-D354 WeakPolarHBondContact O-CA 3.38Å; C350-D354 PolarHBondContact O-N 3.18Å
355K95.9Very high95.6Very high60 Ų6045 Ų4526%0.26125%0.247SC..  trans-80.4156.1172.9-68.7-175.5178.5-174.80111.5K13 C350 C353 A357K13-K355 PolarHBondContact O-NZ 2.93Å; C350-K355 WeakPolarHBondContact CB-O 3.21Å; C350-K355 PolarHBondContact N-O 3.28Å; C353-K355 PolarHBondContact O-N 3.22Å; K355-A357 PolarHBondContact O-N 3.34Å
356P95.5Very high96Very high90 Ų9040.5 Ų40.558%0.58423%0.23SC*.BIsolated β-bridgetrans-53.4133.4171.4-2735.5000113P358P356-P358 VanDerWaalsContact C-CD 3.49Å
357A96.8Very high96.4Very high0 Ų037.9 Ų37.90%021%0.213CC..  trans-132.561.3-176.400000110.2V324 F338 W348 C350 K355V324-A357 HydrophobicContact CG2-CB 3.47Å; V324-A357 VanDerWaalsContact CG2-CB 3.47Å; F338-A357 HydrophobicContact CZ-CB 3.86Å; W348-A357 PolarHBondContact O-N 2.88Å; C350-A357 HydrophobicContact CB-CB 4.06Å; K355-A357 PolarHBondContact O-N 3.34Å
358P94.8Very high96.6Very high41 Ų4135 Ų3527%0.26620%0.195SC..  trans-65.8152.4177.531.8-36.7000110.7P356 E360 L361P356-P358 VanDerWaalsContact C-CD 3.49Å; P358-E360 PolarHBondContact O-N 3.17Å; P358-L361 HydrophobicContact CG-CB 4.15Å; P358-L361 HydrophobicContact CG-CD1 3.73Å; P358-L361 HydrophobicContact CG-CG 3.92Å; P358-L361 PolarHBondContact O-N 3.26Å
359F95.9Very high96.8Very high12 Ų1234.1 Ų34.15%0.05320%0.196CC..G310 helixtrans-55.3-38.9-173.4176.6-105.8000113W72 P122 L269 R272 L273 L339 W348 L361 L362W72-F359 HydrophobicContact CH2-CE1 4.28Å; P122-F359 HydrophobicContact CB-CB 3.72Å; P122-F359 HydrophobicContact CB-CD1 4.22Å; P122-F359 HydrophobicContact CB-CG 3.98Å; P122-F359 HydrophobicContact CG-CB 3.47Å; P122-F359 VanDerWaalsContact CG-CB 3.47Å; P122-F359 HydrophobicContact CG-CG 4.26Å; L269-F359 HydrophobicContact CB-CD2 4.41Å; L269-F359 HydrophobicContact CB-CE2 3.75Å; L269-F359 HydrophobicContact CB-CZ 4.09Å; L269-F359 HydrophobicContact CD1-CD2 4.26Å; L269-F359 HydrophobicContact CD1-CE2 4.35Å; L269-F359 HydrophobicContact CD2-CZ 4.4Å; L269-F359 HydrophobicContact CG-CE2 4.48Å; L269-F359 WeakPolarHBondContact O-CE2 3.48Å; L269-F359 WeakPolarHBondContact O-CZ 3.33Å; R272-F359 HydrophobicContact CB-CZ 4.21Å; L273-F359 HydrophobicContact CB-CE2 4.41Å; L273-F359 HydrophobicContact CD1-CE2 4.41Å; L339-F359 HydrophobicContact CD2-CD2 3.85Å; L339-F359 HydrophobicContact CD2-CE2 4.06Å; W348-F359 HydrophobicContact CH2-CB 4.01Å; W348-F359 HydrophobicContact CH2-CD2 4.5Å; W348-F359 HydrophobicContact CZ3-CB 3.94Å; F359-L361 PolarHBondContact O-N 2.89Å; F359-L362 HydrophobicContact CD2-CD1 4.01Å; F359-L362 WeakPolarHBondContact O-CB 3.32Å; F359-L362 PolarHBondContact O-N 3.26Å; F359-L362 VanDerWaalsContact O-N 3.13Å
360E92.9Very high96.8Very high91 Ų9134.6 Ų34.643%0.42519%0.194SC..G310 helixtrans-67.9-15.2-176.4-58.369.9-15300113.2P358P358-E360 PolarHBondContact O-N 3.17Å
361L95.6Very high96.8Very high60 Ų6034.6 Ų34.631%0.31419%0.194SC..G310 helixtrans-1103.1177.1-60.4-178.9000113.2V324 L325 T326 P358 F359V324-L361 CarbonylContact C-O 3.53Å; V324-L361 VanDerWaalsContact CA-O 3.32Å; V324-L361 WeakPolarHBondContact CA-O 3.33Å; V324-L361 HydrophobicContact CG1-CB 3.63Å; V324-L361 WeakPolarHBondContact CG1-O 3.44Å; L325-L361 HydrophobicContact CD1-CD2 4.44Å; L325-L361 PolarHBondContact N-O 2.92Å; T326-L361 HydrophobicContact CG2-CD1 3.92Å; P358-L361 HydrophobicContact CG-CB 4.15Å; P358-L361 HydrophobicContact CG-CD1 3.73Å; P358-L361 HydrophobicContact CG-CG 3.92Å; P358-L361 PolarHBondContact O-N 3.26Å; F359-L361 PolarHBondContact O-N 2.89Å
362L97.3Very high96.9Very high2 Ų234 Ų341%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-72.9143.5170.9-61.1-179.3000110.2L273 S277 R323 V324 F333 F338 L339 W348 F359L273-L362 HydrophobicContact CD1-CB 3.7Å; S277-L362 WeakPolarHBondContact CB-O 3.49Å; S277-L362 PolarHBondContact OG-O 3.34Å; R323-L362 WeakPolarHBondContact O-CA 3.42Å; V324-L362 HydrophobicContact CG2-CD2 4.3Å; F333-L362 HydrophobicContact CE2-CD2 4.4Å; F333-L362 HydrophobicContact CZ-CD2 3.99Å; F338-L362 HydrophobicContact CD1-CD1 3.98Å; F338-L362 HydrophobicContact CD1-CD2 4.29Å; F338-L362 HydrophobicContact CE1-CD1 3.89Å; F338-L362 HydrophobicContact CE1-CD2 3.85Å; F338-L362 HydrophobicContact CE1-CG 4.46Å; L339-L362 HydrophobicContact CD2-CD1 4.31Å; W348-L362 HydrophobicContact CZ3-CD1 4.45Å; F359-L362 HydrophobicContact CD2-CD1 4.01Å; F359-L362 WeakPolarHBondContact O-CB 3.32Å; F359-L362 PolarHBondContact O-N 3.26Å; F359-L362 VanDerWaalsContact O-N 3.13Å
363T97.3Very high96.8Very high5 Ų539.6 Ų39.63%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-147.5146.9170.7-160.70000111.1S277 E279 C322 R323 L325S277-T363 WeakPolarHBondContact O-CA 3.32Å; S277-T363 PolarHBondContact O-OG1 3.42Å; S277-T363 VanDerWaalsContact O-OG1 3.14Å; S277-T363 WeakPolarHBondContact OG-CA 3.39Å; S277-T363 WeakPolarHBondContact OG-CB 3.33Å; S277-T363 PolarHBondContact OG-OG1 3.16Å; E279-T363 HydrophobicContact CB-CG2 4.47Å; C322-T363 WeakPolarHBondContact CA-O 3.26Å; C322-T363 PolarHBondContact SG-O 3.41Å; C322-T363 VanDerWaalsContact SG-O 3.39Å; R323-T363 HydrophobicContact CG-CG2 3.55Å; R323-T363 PolarHBondContact N-O 3.48Å; R323-T363 PolarHBondContact O-N 3.01Å; L325-T363 HydrophobicContact CD2-CG2 3.73Å; L325-T363 HydrophobicContact CG-CG2 4.3Å
364I98.5Very high96.8Very high8 Ų843.6 Ų43.64%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-86.1124.9176.5-62.3170.5000108.1L273 K274 S277 V278 E279 V320 P321 G366L273-I364 HydrophobicContact CD2-CD1 4.07Å; L273-I364 HydrophobicContact CD2-CG1 3.87Å; L273-I364 HydrophobicContact CG-CD1 4.14Å; L273-I364 HydrophobicContact CG-CG1 4.14Å; K274-I364 HydrophobicContact CG-CD1 3.97Å; S277-I364 PolarHBondContact O-N 2.95Å; V278-I364 HydrophobicContact CG2-CB 4.3Å; V278-I364 HydrophobicContact CG2-CD1 4.21Å; E279-I364 PolarHBondContact N-O 2.59Å; V320-I364 HydrophobicContact CG1-CD1 3.8Å; V320-I364 HydrophobicContact CG1-CG1 3.88Å; V320-I364 HydrophobicContact CG1-CG2 3.84Å; P321-I364 CarbonylContact O-C 3.45Å; P321-I364 WeakPolarHBondContact O-CA 3.3Å; I364-G366 PolarHBondContact O-N 3.4Å
365D98.3Very high96.8Very high2 Ų237.9 Ų37.91%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-79.5104.9-178.2-166.6-65.8000109.3R287 P321 L367 L368 S369R287-D365 IonicContact CZ-OD2 2.7Å; R287-D365 IonicContact NH2-OD2 2.89Å; R287-D365 PolarHBondContact NH2-OD2 2.87Å; P321-D365 PolarHBondContact O-N 3.03Å; D365-L367 PolarHBondContact O-N 3Å; D365-L368 HydrophobicContact CB-CB 4.21Å; D365-L368 PolarHBondContact O-N 2.99Å; D365-L368 PolarHBondContact OD1-N 3.5Å; D365-S369 WeakPolarHBondContact O-CB 3.38Å; D365-S369 PolarHBondContact O-N 2.94Å; D365-S369 PolarHBondContact O-OG 2.85Å
366G97.4Very high96.7Very high9 Ų937.9 Ų37.99%0.09320%0.201CC..Hα-helixtrans-64.3-38.3-174.100000113.3E279 I364 S369 E370E279-G366 WeakPolarHBondContact O-CA 3.34Å; E279-G366 PolarHBondContact O-N 2.93Å; I364-G366 PolarHBondContact O-N 3.4Å; G366-S369 CarbonylContact O-C 3.57Å; G366-S369 WeakPolarHBondContact O-CA 3.5Å; G366-S369 WeakPolarHBondContact O-CB 3.44Å; G366-S369 PolarHBondContact O-N 3.13Å; G366-E370 PolarHBondContact O-N 2.87Å
367L97.6Very high96.5Very high1 Ų141.8 Ų41.81%0.00521%0.211CC..Hα-helixtrans-64.5-49177.4176.667.7000110.8A281 C284 R285 I288 D365 S369 E370 I371 Y384A281-L367 HydrophobicContact CB-CB 3.95Å; A281-L367 HydrophobicContact CB-CD1 4.29Å; C284-L367 HydrophobicContact CB-CB 3.5Å; C284-L367 VanDerWaalsContact CB-CB 3.5Å; C284-L367 HydrophobicContact CB-CD2 4.27Å; R285-L367 HydrophobicContact CG-CD1 3.98Å; R285-L367 HydrophobicContact CG-CD2 3.76Å; R285-L367 HydrophobicContact CG-CG 4.43Å; I288-L367 HydrophobicContact CD1-CD2 3.38Å; D365-L367 PolarHBondContact O-N 3Å; L367-S369 PolarHBondContact O-N 2.84Å; L367-E370 WeakPolarHBondContact O-CB 3.31Å; L367-E370 PolarHBondContact O-N 2.7Å; L367-I371 HydrophobicContact CD1-CD1 4.15Å; L367-I371 HydrophobicContact CD1-CG1 4.42Å; L367-I371 HydrophobicContact CD2-CD1 4.43Å; L367-I371 HydrophobicContact CG-CD1 3.85Å; L367-I371 HydrophobicContact CG-CG1 4.45Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 2.93Å; L367-Y384 HydrophobicContact CD2-CE1 3.73Å
368L98Very high96.3Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-65.1-25.2177.9-162.656.4000111.5L309 L318 P321 C332 D365 I371 L372 I382L309-L368 HydrophobicContact CD2-CD1 3.48Å; L309-L368 VanDerWaalsContact CD2-CD1 3.48Å; L309-L368 HydrophobicContact CD2-CG 4.45Å; L318-L368 HydrophobicContact CD1-CD2 4.11Å; P321-L368 HydrophobicContact CB-CB 3.94Å; P321-L368 HydrophobicContact CB-CD2 3.74Å; P321-L368 HydrophobicContact CB-CG 3.89Å; P321-L368 HydrophobicContact CG-CB 3.92Å; P321-L368 HydrophobicContact CG-CG 4.2Å; C332-L368 HydrophobicContact CB-CD2 3.77Å; D365-L368 HydrophobicContact CB-CB 4.21Å; D365-L368 PolarHBondContact O-N 2.99Å; D365-L368 PolarHBondContact OD1-N 3.5Å; L368-I371 HydrophobicContact CD1-CB 4.31Å; L368-I371 HydrophobicContact CD1-CG2 4.33Å; L368-L372 HydrophobicContact CG-CD1 4.42Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CD1 3.39Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 3.01Å; L368-I382 HydrophobicContact CD1-CD1 4.23Å
369S98.1Very high96.3Very high23 Ų2344.3 Ų44.316%0.16122%0.222CC..Hα-helixtrans-75.5-16.1172-54.60000114.4P321 D365 G366 L367 K373P321-S369 WeakPolarHBondContact CD-OG 3.47Å; P321-S369 WeakPolarHBondContact CG-OG 3.42Å; D365-S369 WeakPolarHBondContact O-CB 3.38Å; D365-S369 PolarHBondContact O-N 2.94Å; D365-S369 PolarHBondContact O-OG 2.85Å; G366-S369 CarbonylContact O-C 3.57Å; G366-S369 WeakPolarHBondContact O-CA 3.5Å; G366-S369 WeakPolarHBondContact O-CB 3.44Å; G366-S369 PolarHBondContact O-N 3.13Å; L367-S369 PolarHBondContact O-N 2.84Å; S369-K373 WeakPolarHBondContact O-CD 3.18Å; S369-K373 WeakPolarHBondContact O-CE 3.41Å; S369-K373 PolarHBondContact O-NZ 2.88Å
370E97.8Very high96.4Very high60 Ų6049.4 Ų49.428%0.2825%0.246SC..Hα-helixtrans-83.2-52167.5-71.7165.3-176.600109.1A281 R285 G366 L367 L372 K373 E374A281-E370 VanDerWaalsContact CB-CD 3.45Å; A281-E370 VanDerWaalsContact CB-OE1 3.32Å; A281-E370 WeakPolarHBondContact CB-OE1 3.02Å; A281-E370 WeakPolarHBondContact CB-OE2 3.33Å; R285-E370 IonicContact CZ-OE2 2.71Å; R285-E370 IonicContact NH2-OE2 3.23Å; R285-E370 PolarHBondContact NH2-OE2 2.78Å; G366-E370 PolarHBondContact O-N 2.87Å; L367-E370 WeakPolarHBondContact O-CB 3.31Å; L367-E370 PolarHBondContact O-N 2.7Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.84Å; E370-K373 WeakPolarHBondContact O-CA 3.42Å; E370-K373 WeakPolarHBondContact O-CB 3.46Å; E370-K373 PolarHBondContact O-N 2.84Å; E370-E374 PolarHBondContact O-N 2.82Å; E370-E374 VanDerWaalsContact O-N 3.07Å
371I98Very high96.6Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-55.1-40.2-179.9-64.3176.4000112.5L309 L367 L368 K373 E374 T375 I382 Y384 W390L309-I371 HydrophobicContact CD1-CG2 4.48Å; L309-I371 HydrophobicContact CD2-CG2 4.28Å; L367-I371 HydrophobicContact CD1-CD1 4.15Å; L367-I371 HydrophobicContact CD1-CG1 4.42Å; L367-I371 HydrophobicContact CD2-CD1 4.43Å; L367-I371 HydrophobicContact CG-CD1 3.85Å; L367-I371 HydrophobicContact CG-CG1 4.45Å; L367-I371 WeakPolarHBondContact O-CG1 3.36Å; L367-I371 PolarHBondContact O-N 2.93Å; L368-I371 HydrophobicContact CD1-CB 4.31Å; L368-I371 HydrophobicContact CD1-CG2 4.33Å; I371-K373 PolarHBondContact O-N 2.91Å; I371-E374 PolarHBondContact O-N 2.68Å; I371-T375 HydrophobicContact CG2-CG2 4.11Å; I371-T375 WeakPolarHBondContact O-CB 3.39Å; I371-T375 PolarHBondContact O-N 2.92Å; I371-T375 PolarHBondContact O-OG1 2.86Å; I371-I382 HydrophobicContact CD1-CD1 3.83Å; I371-I382 HydrophobicContact CG2-CD1 4.16Å; I371-I382 HydrophobicContact CG2-CG2 3.95Å; I371-Y384 HydrophobicContact CD1-CE1 3.8Å; I371-W390 HydrophobicContact CD1-CB 4.24Å; I371-W390 HydrophobicContact CD1-CD2 3.85Å; I371-W390 HydrophobicContact CD1-CG 3.63Å; I371-W390 HydrophobicContact CG1-CD2 3.93Å; I371-W390 HydrophobicContact CG1-CG 4.14Å; I371-W390 HydrophobicContact CG1-CZ2 4.11Å; I371-W390 HydrophobicContact CG2-CD2 4.24Å; I371-W390 HydrophobicContact CG2-CE3 4.07Å; I371-W390 HydrophobicContact CG2-CH2 4.18Å; I371-W390 HydrophobicContact CG2-CZ2 4.32Å; I371-W390 HydrophobicContact CG2-CZ3 4.04Å
372L97.9Very high96.6Very high23 Ų2345 Ų4512%0.1223%0.225CC..Hα-helixtrans-64.9-19.7177.4-78.2163.1000114.3L309 R317 L318 P321 L368 E370L309-L372 HydrophobicContact CB-CD2 3.95Å; L309-L372 HydrophobicContact CD1-CD2 4.2Å; L309-L372 HydrophobicContact CD2-CD2 4.14Å; L309-L372 HydrophobicContact CD2-CG 4.47Å; L309-L372 HydrophobicContact CG-CD2 4.32Å; R317-L372 HydrophobicContact CG-CD2 4.17Å; R317-L372 PolarHBondContact NH2-O 2.69Å; L318-L372 HydrophobicContact CB-CD1 3.73Å; L318-L372 HydrophobicContact CB-CD2 4.18Å; P321-L372 HydrophobicContact CB-CD1 4.18Å; P321-L372 HydrophobicContact CG-CD1 3.78Å; L368-L372 HydrophobicContact CG-CD1 4.42Å; L368-L372 WeakPolarHBondContact O-CB 3.43Å; L368-L372 WeakPolarHBondContact O-CD1 3.39Å; L368-L372 WeakPolarHBondContact O-CG 3.38Å; L368-L372 PolarHBondContact O-N 3.01Å; E370-L372 VanDerWaalsContact C-N 3.29Å; E370-L372 PolarHBondContact O-N 2.84Å
373K97.1Very high96.6Very high168 Ų16846.8 Ų46.873%0.7323%0.233SC*.Hα-helixtrans-93.1-32.2174.5-55.9164.7-172.9143.40112.2S369 E370 I371S369-K373 WeakPolarHBondContact O-CD 3.18Å; S369-K373 WeakPolarHBondContact O-CE 3.41Å; S369-K373 PolarHBondContact O-NZ 2.88Å; E370-K373 WeakPolarHBondContact O-CA 3.42Å; E370-K373 WeakPolarHBondContact O-CB 3.46Å; E370-K373 PolarHBondContact O-N 2.84Å; I371-K373 PolarHBondContact O-N 2.91Å
374E96.6Very high96.6Very high127 Ų12746.7 Ų46.759%0.59323%0.232SC*.Hα-helixtrans-81.1-24.2179.7-70.2171.4-15100112.7E370 I371 W390E370-E374 PolarHBondContact O-N 2.82Å; E370-E374 VanDerWaalsContact O-N 3.07Å; I371-E374 PolarHBondContact O-N 2.68Å; E374-W390 HydrophobicContact CB-CH2 4.44Å; E374-W390 HydrophobicContact CB-CZ2 4.18Å; E374-W390 WeakPolarHBondContact OE2-CZ2 3.48Å
375T95.8Very high96.4Very high14 Ų1447.8 Ų47.89%0.08624%0.238CC..SBendtrans-94.6138.9174.553.40000112L309 R317 I371 I379 I382 W390L309-T375 HydrophobicContact CD1-CG2 4.3Å; L309-T375 VanDerWaalsContact CD1-OG1 3.28Å; L309-T375 WeakPolarHBondContact CD1-OG1 3.31Å; R317-T375 PolarHBondContact NH2-O 3.32Å; R317-T375 PolarHBondContact NH2-OG1 2.82Å; I371-T375 HydrophobicContact CG2-CG2 4.11Å; I371-T375 WeakPolarHBondContact O-CB 3.39Å; I371-T375 PolarHBondContact O-N 2.92Å; I371-T375 PolarHBondContact O-OG1 2.86Å; T375-I379 HydrophobicContact CG2-CB 4.45Å; T375-I379 HydrophobicContact CG2-CG2 4.13Å; T375-I382 HydrophobicContact CG2-CG2 4.39Å; T375-W390 HydrophobicContact CG2-CH2 3.44Å; T375-W390 VanDerWaalsContact CG2-CH2 3.44Å; T375-W390 HydrophobicContact CG2-CZ3 3.44Å; T375-W390 VanDerWaalsContact CG2-CZ3 3.44Å
376S93.9Very high96Very high59 Ų5951.6 Ų51.641%0.41326%0.261SS..  trans-70.5164.6171.1510000112.1R317 D378 I379R317-S376 PolarHBondContact NH1-O 2.8Å; R317-S376 PolarHBondContact NH2-O 2.64Å; S376-D378 VanDerWaalsContact C-N 3.28Å; S376-D378 WeakPolarHBondContact CB-OD1 3.45Å; S376-D378 PolarHBondContact O-N 3.26Å; S376-D378 PolarHBondContact OG-OD1 2.83Å; S376-D378 PolarHBondContact OG-OD2 3.43Å; S376-I379 PolarHBondContact O-N 2.92Å
377E91.6Very high95.5Very high172 Ų17256 Ų5680%0.80428%0.282SS*.THydrogen-bonded Turntrans-66.1-27.4-169.9-62-169.2154.400113.9I379E377-I379 VanDerWaalsContact C-N 3.27Å; E377-I379 PolarHBondContact O-N 2.85Å
378D92Very high95Very high89 Ų8956.2 Ų56.248%0.47629%0.285SS..THydrogen-bonded Turntrans-63-25.3174.653.3-69.9000114.1S376 E380S376-D378 VanDerWaalsContact C-N 3.28Å; S376-D378 WeakPolarHBondContact CB-OD1 3.45Å; S376-D378 PolarHBondContact O-N 3.26Å; S376-D378 PolarHBondContact OG-OD1 2.83Å; S376-D378 PolarHBondContact OG-OD2 3.43Å; D378-E380 PolarHBondContact O-N 2.85Å; D378-E380 VanDerWaalsContact O-N 3.14Å
379I95.4Very high94.7Very high5 Ų558.3 Ų58.33%0.02630%0.3CS..  trans-80100.6-178.2-55.8-55.7000109.7L309 R317 T375 S376 E377 E381 I382 P392 R394L309-I379 HydrophobicContact CD1-CG2 4.27Å; L309-I379 WeakPolarHBondContact CD1-O 3.38Å; R317-I379 PolarHBondContact NH1-O 2.83Å; T375-I379 HydrophobicContact CG2-CB 4.45Å; T375-I379 HydrophobicContact CG2-CG2 4.13Å; S376-I379 PolarHBondContact O-N 2.92Å; E377-I379 VanDerWaalsContact C-N 3.27Å; E377-I379 PolarHBondContact O-N 2.85Å; I379-E381 VanDerWaalsContact CG2-O 3.28Å; I379-E381 WeakPolarHBondContact CG2-O 3.4Å; I379-I382 HydrophobicContact CG2-CG2 4.39Å; I379-P392 HydrophobicContact CD1-CB 4.06Å; I379-P392 HydrophobicContact CG1-CB 4.22Å; I379-P392 HydrophobicContact CG2-CB 3.75Å; I379-R394 HydrophobicContact CD1-CG 3.84Å
380E96.3Very high94.7Very high119 Ų11960.2 Ų60.256%0.55630%0.303SS*.  trans-85.8-18.8176.5-63-152.4146.100114.4S308 L309 I310 D378S308-E380 CarbonylContact C-O 3.58Å; S308-E380 WeakPolarHBondContact CA-O 3.42Å; S308-E380 PolarHBondContact OG-O 2.85Å; L309-E380 PolarHBondContact N-O 2.78Å; I310-E380 HydrophobicContact CD1-CB 4.31Å; I310-E380 HydrophobicContact CD1-CG 4Å; I310-E380 HydrophobicContact CG1-CB 3.98Å; I310-E380 HydrophobicContact CG1-CG 4.09Å; D378-E380 PolarHBondContact O-N 2.85Å; D378-E380 VanDerWaalsContact O-N 3.14Å
381E97.1Very high94.6Very high60 Ų6063.2 Ų63.228%0.2831%0.312SS..EExtended strand (participates in β ladder)trans-138.6152.8178.5-66.5-156.8160.100113.9R306 V307 I379 I393R306-E381 IonicContact CZ-OE2 2.72Å; R306-E381 IonicContact NE-OE2 3.64Å; R306-E381 PolarHBondContact NE-OE2 2.81Å; R306-E381 IonicContact NH2-OE2 2.78Å; R306-E381 PolarHBondContact NH2-OE2 2.83Å; V307-E381 WeakPolarHBondContact O-CA 3.49Å; I379-E381 VanDerWaalsContact CG2-O 3.28Å; I379-E381 WeakPolarHBondContact CG2-O 3.4Å; E381-I393 HydrophobicContact CB-CB 4.13Å; E381-I393 HydrophobicContact CB-CD1 3.98Å; E381-I393 HydrophobicContact CB-CG1 4.34Å; E381-I393 PolarHBondContact O-N 2.82Å
382I97.4Very high94.5Very high0 Ų066 Ų660%033%0.33CS..EExtended strand (participates in β ladder)trans-129.3158.2170.457.3142.9000110.9R306 V307 L309 L368 I371 T375 I379 Y384 W390 R391R306-I382 CarbonylContact C-O 3.6Å; R306-I382 VanDerWaalsContact CA-O 3.3Å; R306-I382 WeakPolarHBondContact CA-O 3.24Å; V307-I382 HydrophobicContact CG2-CD1 3.66Å; V307-I382 HydrophobicContact CG2-CG1 3.53Å; V307-I382 PolarHBondContact N-O 3.13Å; V307-I382 PolarHBondContact O-N 2.8Å; L309-I382 HydrophobicContact CD1-CG2 4.15Å; L309-I382 HydrophobicContact CD2-CG1 4.13Å; L309-I382 HydrophobicContact CD2-CG2 4.37Å; L309-I382 HydrophobicContact CG-CG2 4.36Å; L368-I382 HydrophobicContact CD1-CD1 4.23Å; I371-I382 HydrophobicContact CD1-CD1 3.83Å; I371-I382 HydrophobicContact CG2-CD1 4.16Å; I371-I382 HydrophobicContact CG2-CG2 3.95Å; T375-I382 HydrophobicContact CG2-CG2 4.39Å; I379-I382 HydrophobicContact CG2-CG2 4.39Å; I382-Y384 HydrophobicContact CD1-CD1 4.23Å; I382-Y384 HydrophobicContact CD1-CD2 4.49Å; I382-Y384 HydrophobicContact CD1-CE1 3.68Å; I382-Y384 HydrophobicContact CD1-CE2 4.01Å; I382-W390 HydrophobicContact CB-CE3 4.19Å; I382-W390 HydrophobicContact CD1-CB 4.49Å; I382-W390 HydrophobicContact CG2-CE3 3.72Å; I382-W390 HydrophobicContact CG2-CZ3 3.87Å; I382-R391 CarbonylContact C-O 3.49Å; I382-R391 VanDerWaalsContact CA-O 3.31Å; I382-R391 WeakPolarHBondContact CA-O 3.46Å
383E97Very high94.3Very high39 Ų3966.5 Ų66.518%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-116.7122.7172-170.4-175.1173.500109.9R306 L385 W390 R391 I393R306-E383 HydrophobicContact CG-CG 4.43Å; E383-L385 HydrophobicContact CG-CD2 4.25Å; E383-W390 CarbonylContact O-C 3.45Å; E383-W390 VanDerWaalsContact O-CA 3.23Å; E383-W390 WeakPolarHBondContact O-CA 3.27Å; E383-R391 HydrophobicContact CB-CG 4.02Å; E383-R391 PolarHBondContact N-O 2.97Å; E383-R391 PolarHBondContact O-N 2.85Å; E383-R391 IonicContact OE1-CZ 2.67Å; E383-R391 IonicContact OE1-NH2 2.62Å; E383-R391 PolarHBondContact OE1-NH2 3.12Å; E383-R391 IonicContact OE2-CZ 2.61Å; E383-R391 IonicContact OE2-NE 3.91Å; E383-R391 PolarHBondContact OE2-NE 2.8Å; E383-R391 IonicContact OE2-NH2 2.68Å; E383-R391 PolarHBondContact OE2-NH2 3.41Å; E383-I393 HydrophobicContact CB-CD1 3.99Å; E383-I393 HydrophobicContact CB-CG1 4.15Å
384Y96.5Very high93.7Very high2 Ų263 Ų631%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-81.1141.1169.4-68.7-59.9000111.2I288 G304 L305 V307 L330 L367 I371 I382 W390I288-Y384 HydrophobicContact CD1-CD1 3.71Å; I288-Y384 HydrophobicContact CD1-CD2 4.12Å; I288-Y384 HydrophobicContact CD1-CE1 3.49Å; I288-Y384 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y384 HydrophobicContact CD1-CE2 3.89Å; I288-Y384 HydrophobicContact CD1-CG 4.02Å; I288-Y384 HydrophobicContact CG1-CD2 4.34Å; I288-Y384 HydrophobicContact CG1-CE2 4.41Å; I288-Y384 HydrophobicContact CG1-CG 4.37Å; I288-Y384 HydrophobicContact CG2-CD1 4.17Å; I288-Y384 HydrophobicContact CG2-CD2 4.47Å; I288-Y384 HydrophobicContact CG2-CG 3.87Å; G304-Y384 CarbonylContact C-O 3.49Å; G304-Y384 WeakPolarHBondContact CA-O 3.22Å; L305-Y384 PolarHBondContact N-O 2.77Å; L305-Y384 PolarHBondContact O-N 2.99Å; V307-Y384 HydrophobicContact CB-CE2 4.45Å; V307-Y384 HydrophobicContact CG1-CD2 4.29Å; V307-Y384 HydrophobicContact CG1-CE2 4.02Å; V307-Y384 HydrophobicContact CG2-CD2 4.16Å; V307-Y384 HydrophobicContact CG2-CE2 3.52Å; L330-Y384 HydrophobicContact CD1-CD2 4.21Å; L367-Y384 HydrophobicContact CD2-CE1 3.73Å; I371-Y384 HydrophobicContact CD1-CE1 3.8Å; I382-Y384 HydrophobicContact CD1-CD1 4.23Å; I382-Y384 HydrophobicContact CD1-CD2 4.49Å; I382-Y384 HydrophobicContact CD1-CE1 3.68Å; I382-Y384 HydrophobicContact CD1-CE2 4.01Å; Y384-W390 HydrophobicContact CD1-CB 3.85Å; Y384-W390 HydrophobicContact CE1-CB 4.19Å
385L94.1Very high92.7Very high32 Ų3262.6 Ų62.617%0.16832%0.317CS..EExtended strand (participates in β ladder)trans-111.6162.2-177.3-56.3-178.7000111.9L292 E383 D387 G388 S389L292-L385 VanDerWaalsContact CD1-C 3.44Å; L292-L385 VanDerWaalsContact CD1-O 3.24Å; L292-L385 WeakPolarHBondContact CD1-O 3.42Å; E383-L385 HydrophobicContact CG-CD2 4.25Å; L385-D387 WeakPolarHBondContact CB-OD1 3.41Å; L385-D387 PolarHBondContact O-N 3.26Å; L385-G388 PolarHBondContact O-N 3.08Å; L385-S389 PolarHBondContact N-O 2.86Å
386T89.4Confident91.4Very high81 Ų8168.9 Ų68.950%0.49735%0.345SS..THydrogen-bonded Turntrans-62.8-23.3-171.548.10000114.6L292 G388L292-T386 HydrophobicContact CB-CG2 4.19Å; T386-G388 VanDerWaalsContact C-N 3.3Å
387D87.1Confident90Very high101 Ų10174 Ų7454%0.5436%0.36SS..THydrogen-bonded Turntrans-81.2-5174.164.4-8.1000113.5Q289 L385 S389Q289-D387 PolarHBondContact NE2-O 3.34Å; L385-D387 WeakPolarHBondContact CB-OD1 3.41Å; L385-D387 PolarHBondContact O-N 3.26Å; D387-S389 VanDerWaalsContact CG-OG 3.28Å; D387-S389 VanDerWaalsContact OD1-CB 3.26Å; D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 3.13Å; D387-S389 PolarHBondContact OD1-OG 3.25Å; D387-S389 PolarHBondContact OD2-OG 2.61Å
388G86.9Confident88.7Confident6 Ų669.9 Ų69.96%0.06234%0.341CS..SBendtrans85.83.9-175.400000114.4L385 T386L385-G388 PolarHBondContact O-N 3.08Å; T386-G388 VanDerWaalsContact C-N 3.3Å
389S93.1Very high87.3Confident44 Ų4469.3 Ų69.331%0.30833%0.334SS..  trans-76.6176.616774.30000111.3L385 D387L385-S389 PolarHBondContact N-O 2.86Å; D387-S389 VanDerWaalsContact CG-OG 3.28Å; D387-S389 VanDerWaalsContact OD1-CB 3.26Å; D387-S389 WeakPolarHBondContact OD1-CB 3.48Å; D387-S389 PolarHBondContact OD1-N 3.13Å; D387-S389 PolarHBondContact OD1-OG 3.25Å; D387-S389 PolarHBondContact OD2-OG 2.61Å
390W96.6Very high86Confident64 Ų6472.9 Ų72.924%0.24235%0.353CS..EExtended strand (participates in β ladder)trans-145160179.367.4-85.3000110.7I371 E374 T375 I382 E383 Y384 P392I371-W390 HydrophobicContact CD1-CB 4.24Å; I371-W390 HydrophobicContact CD1-CD2 3.85Å; I371-W390 HydrophobicContact CD1-CG 3.63Å; I371-W390 HydrophobicContact CG1-CD2 3.93Å; I371-W390 HydrophobicContact CG1-CG 4.14Å; I371-W390 HydrophobicContact CG1-CZ2 4.11Å; I371-W390 HydrophobicContact CG2-CD2 4.24Å; I371-W390 HydrophobicContact CG2-CE3 4.07Å; I371-W390 HydrophobicContact CG2-CH2 4.18Å; I371-W390 HydrophobicContact CG2-CZ2 4.32Å; I371-W390 HydrophobicContact CG2-CZ3 4.04Å; E374-W390 HydrophobicContact CB-CH2 4.44Å; E374-W390 HydrophobicContact CB-CZ2 4.18Å; E374-W390 WeakPolarHBondContact OE2-CZ2 3.48Å; T375-W390 HydrophobicContact CG2-CH2 3.44Å; T375-W390 VanDerWaalsContact CG2-CH2 3.44Å; T375-W390 HydrophobicContact CG2-CZ3 3.44Å; T375-W390 VanDerWaalsContact CG2-CZ3 3.44Å; I382-W390 HydrophobicContact CB-CE3 4.19Å; I382-W390 HydrophobicContact CD1-CB 4.49Å; I382-W390 HydrophobicContact CG2-CE3 3.72Å; I382-W390 HydrophobicContact CG2-CZ3 3.87Å; E383-W390 CarbonylContact O-C 3.45Å; E383-W390 VanDerWaalsContact O-CA 3.23Å; E383-W390 WeakPolarHBondContact O-CA 3.27Å; Y384-W390 HydrophobicContact CD1-CB 3.85Å; Y384-W390 HydrophobicContact CE1-CB 4.19Å; W390-P392 HydrophobicContact CZ3-CB 4.46Å
391R95.7Very high84.6Confident122 Ų12275.7 Ų75.746%0.4636%0.359SS..EExtended strand (participates in β ladder)trans-138.9146.8172.159.7-179.2174.8-140.3-1.5112I382 E383I382-R391 CarbonylContact C-O 3.49Å; I382-R391 VanDerWaalsContact CA-O 3.31Å; I382-R391 WeakPolarHBondContact CA-O 3.46Å; E383-R391 HydrophobicContact CB-CG 4.02Å; E383-R391 PolarHBondContact N-O 2.97Å; E383-R391 PolarHBondContact O-N 2.85Å; E383-R391 IonicContact OE1-CZ 2.67Å; E383-R391 IonicContact OE1-NH2 2.62Å; E383-R391 PolarHBondContact OE1-NH2 3.12Å; E383-R391 IonicContact OE2-CZ 2.61Å; E383-R391 IonicContact OE2-NE 3.91Å; E383-R391 PolarHBondContact OE2-NE 2.8Å; E383-R391 IonicContact OE2-NH2 2.68Å; E383-R391 PolarHBondContact OE2-NH2 3.41Å
392P96.2Very high83.2Confident59 Ų5975.4 Ų75.438%0.38336%0.359SS..EExtended strand (participates in β ladder)trans-69.2146.9171.930.3-35000111.3I379 W390I379-P392 HydrophobicContact CD1-CB 4.06Å; I379-P392 HydrophobicContact CG1-CB 4.22Å; I379-P392 HydrophobicContact CG2-CB 3.75Å; W390-P392 HydrophobicContact CZ3-CB 4.46Å
393I93.6Very high82Confident34 Ų3482.7 Ų82.717%0.17439%0.387CS..  trans-105.2101.4174.8-51.5-179.9000108.7R306 E381 E383R306-I393 HydrophobicContact CB-CD1 4.17Å; R306-I393 HydrophobicContact CG-CD1 3.64Å; E381-I393 HydrophobicContact CB-CB 4.13Å; E381-I393 HydrophobicContact CB-CD1 3.98Å; E381-I393 HydrophobicContact CB-CG1 4.34Å; E381-I393 PolarHBondContact O-N 2.82Å; E383-I393 HydrophobicContact CB-CD1 3.99Å; E383-I393 HydrophobicContact CB-CG1 4.15Å
394R85.5Confident80.8Confident93 Ų9387.5 Ų87.535%0.35141%0.409SS..  trans-87.3151.7165.4-69.4-172.8-179.3149.48.1111.5I379 E398 K399 D402I379-R394 HydrophobicContact CD1-CG 3.84Å; R394-E398 HydrophobicContact CB-CB 4.45Å; R394-K399 HydrophobicContact CB-CG 4.19Å; R394-K399 WeakPolarHBondContact O-CE 3.32Å; R394-K399 PolarHBondContact O-NZ 2.97Å; R394-D402 IonicContact CZ-OD2 2.77Å; R394-D402 IonicContact NH1-OD2 3.58Å; R394-D402 PolarHBondContact NH1-OD2 2.8Å
395D76.1Confident79.6Confident120 Ų12096 Ų9664%0.64244%0.441SS*.  trans-61.2148.9169.2-100.50.6000111.1K397 E398 K399D395-K397 PolarHBondContact O-N 2.93Å; D395-E398 HydrophobicContact CB-CG 4.48Å; D395-E398 PolarHBondContact O-N 2.98Å; D395-K399 PolarHBondContact O-N 3.35Å
396E68.5Low78.5Confident146 Ų146101.5 Ų101.568%0.68247%0.466SS*.Hα-helixtrans-63.1-33.1-178.9-58.8-165.913500112E398 K399 D400E396-E398 PolarHBondContact O-N 2.79Å; E396-K399 PolarHBondContact O-N 3.5Å; E396-D400 PolarHBondContact O-N 2.73Å
397K64.3Low77.6Confident167 Ų167108 Ų10873%0.72648%0.481SS*.Hα-helixtrans-63.4-24.7173.5-64.9178.5-178.6173.10113.8D395 R401D395-K397 PolarHBondContact O-N 2.93Å; K397-R401 WeakPolarHBondContact O-CD 3.41Å; K397-R401 VanDerWaalsContact O-CG 3.26Å; K397-R401 WeakPolarHBondContact O-CG 3.28Å
398E63.5Low76.6Confident85 Ų85106.9 Ų106.940%0.39748%0.482SS..Hα-helixtrans-87.1-40.9172.9-65.6-167.4134.700111.3R394 D395 E396 D400 R401 D402R394-E398 HydrophobicContact CB-CB 4.45Å; D395-E398 HydrophobicContact CB-CG 4.48Å; D395-E398 PolarHBondContact O-N 2.98Å; E396-E398 PolarHBondContact O-N 2.79Å; E398-D400 PolarHBondContact O-N 2.85Å; E398-R401 PolarHBondContact O-N 3.09Å; E398-R401 VanDerWaalsContact O-N 3.11Å; E398-D402 PolarHBondContact O-N 2.97Å
399K63.5Low75.1Confident77 Ų77112.7 Ų112.734%0.33551%0.512SS..Hα-helixtrans-55.3-41.2174-69170.1178138.70112R394 D395 E396 R403R394-K399 HydrophobicContact CB-CG 4.19Å; R394-K399 WeakPolarHBondContact O-CE 3.32Å; R394-K399 PolarHBondContact O-NZ 2.97Å; D395-K399 PolarHBondContact O-N 3.35Å; E396-K399 PolarHBondContact O-N 3.5Å; K399-R403 WeakPolarHBondContact O-CB 3.49Å; K399-R403 VanDerWaalsContact O-CD 3.32Å; K399-R403 WeakPolarHBondContact O-CD 3.46Å; K399-R403 WeakPolarHBondContact O-CG 3.29Å; K399-R403 PolarHBondContact O-N 3.38Å
400D66.6Low73.3Confident79 Ų79115.8 Ų115.842%0.42253%0.528SS..Hα-helixtrans-74.1-33178.6-68.6-24.5000112.6E396 E398 R403 E404E396-D400 PolarHBondContact O-N 2.73Å; E398-D400 PolarHBondContact O-N 2.85Å; D400-R403 PolarHBondContact O-N 2.79Å; D400-R403 IonicContact OD1-CZ 2.76Å; D400-R403 IonicContact OD1-NH1 3.93Å; D400-R403 PolarHBondContact OD1-NH1 3.09Å; D400-E404 WeakPolarHBondContact O-CG 3.35Å; D400-E404 PolarHBondContact O-N 2.89Å
401R67.7Low71.1Confident178 Ų178117.5 Ų117.567%0.67255%0.548SS*.Hα-helixtrans-66.9-42170.6-76.7172.2171.2-173.2-4112.8K397 E398 R403 E404 R405K397-R401 WeakPolarHBondContact O-CD 3.41Å; K397-R401 VanDerWaalsContact O-CG 3.26Å; K397-R401 WeakPolarHBondContact O-CG 3.28Å; E398-R401 PolarHBondContact O-N 3.09Å; E398-R401 VanDerWaalsContact O-N 3.11Å; R401-R403 VanDerWaalsContact C-N 3.35Å; R401-E404 PolarHBondContact O-N 3.11Å; R401-R405 VanDerWaalsContact O-CB 3.29Å; R401-R405 WeakPolarHBondContact O-CB 3.35Å; R401-R405 PolarHBondContact O-N 3.36Å
402D67.4Low68.7Low54 Ų54120.8 Ų120.829%0.28957%0.569SS.*Hα-helixtrans-61.6-45.1174.4-78.5-23000110R394 E398 R405 E406R394-D402 IonicContact CZ-OD2 2.77Å; R394-D402 IonicContact NH1-OD2 3.58Å; R394-D402 PolarHBondContact NH1-OD2 2.8Å; E398-D402 PolarHBondContact O-N 2.97Å; D402-R405 WeakPolarHBondContact O-CB 3.27Å; D402-R405 PolarHBondContact O-N 3.16Å; D402-E406 WeakPolarHBondContact O-CG 3.46Å; D402-E406 PolarHBondContact O-N 3.31Å
403R73.4Confident66.2Low153 Ų153127.5 Ų127.558%0.57759%0.588SS**Hα-helixtrans-60.5-43.7174.4-75.3162.7169.6172.4-6.3113.2K399 D400 R401 R405 R407K399-R403 WeakPolarHBondContact O-CB 3.49Å; K399-R403 VanDerWaalsContact O-CD 3.32Å; K399-R403 WeakPolarHBondContact O-CD 3.46Å; K399-R403 WeakPolarHBondContact O-CG 3.29Å; K399-R403 PolarHBondContact O-N 3.38Å; D400-R403 PolarHBondContact O-N 2.79Å; D400-R403 IonicContact OD1-CZ 2.76Å; D400-R403 IonicContact OD1-NH1 3.93Å; D400-R403 PolarHBondContact OD1-NH1 3.09Å; R401-R403 VanDerWaalsContact C-N 3.35Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R407 WeakPolarHBondContact O-CB 3.45Å; R403-R407 PolarHBondContact O-N 3.05Å
404E70.3Confident64.1Low141 Ų141131.3 Ų131.366%0.65962%0.615SS**Hα-helixtrans-61.7-41.6174.3-77.5-173.5140.900111.1D400 R401 R407 S408D400-E404 WeakPolarHBondContact O-CG 3.35Å; D400-E404 PolarHBondContact O-N 2.89Å; R401-E404 PolarHBondContact O-N 3.11Å; E404-R407 PolarHBondContact O-N 3.24Å; E404-S408 PolarHBondContact O-N 3.37Å; E404-S408 PolarHBondContact O-OG 2.84Å
405R72.6Confident62.4Low180 Ų180133.4 Ų133.468%0.67964%0.638SS**Hα-helixtrans-67.5-44.9-179.9-163176.6-169.2-176.42.8112.5R401 D402 R403 R407 S408 N409R401-R405 VanDerWaalsContact O-CB 3.29Å; R401-R405 WeakPolarHBondContact O-CB 3.35Å; R401-R405 PolarHBondContact O-N 3.36Å; D402-R405 WeakPolarHBondContact O-CB 3.27Å; D402-R405 PolarHBondContact O-N 3.16Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R405-R407 VanDerWaalsContact C-N 3.34Å; R405-S408 WeakPolarHBondContact CA-OG 3.46Å; R405-S408 PolarHBondContact O-N 3.03Å; R405-S408 PolarHBondContact O-OG 3.21Å; R405-N409 PolarHBondContact O-N 2.87Å
406E71.2Confident60.8Low148 Ų148133.6 Ų133.669%0.69264%0.643SS**Hα-helixtrans-60.4-43.8171.5-73.1-177.5155.300111.3D402 S408 N409D402-E406 WeakPolarHBondContact O-CG 3.46Å; D402-E406 PolarHBondContact O-N 3.31Å; E406-S408 PolarHBondContact O-N 3.28Å; E406-N409 PolarHBondContact O-N 2.89Å; E406-N409 VanDerWaalsContact O-N 3.08Å
407R70.8Confident59.3Low216 Ų216132.8 Ų132.882%0.81564%0.643SS**Hα-helixtrans-66.2-24.3177.8-169.1176.5-176.2-153.70.4113.4R403 E404 R405R403-R407 WeakPolarHBondContact O-CB 3.45Å; R403-R407 PolarHBondContact O-N 3.05Å; E404-R407 PolarHBondContact O-N 3.24Å; R405-R407 VanDerWaalsContact C-N 3.34Å
408S65.2Low58.4Low79 Ų79131.6 Ų131.655%0.55264%0.643SS**Hα-helixtrans-82-13.8172.768.80000114.5E404 R405 E406 T410E404-S408 PolarHBondContact O-N 3.37Å; E404-S408 PolarHBondContact O-OG 2.84Å; R405-S408 WeakPolarHBondContact CA-OG 3.46Å; R405-S408 PolarHBondContact O-N 3.03Å; R405-S408 PolarHBondContact O-OG 3.21Å; E406-S408 PolarHBondContact O-N 3.28Å; S408-T410 VanDerWaalsContact C-N 3.31Å; S408-T410 PolarHBondContact O-N 2.96Å
409N55Low57.1Low128 Ų128132.6 Ų132.668%0.68466%0.658SS**  trans-91.139.6-178.8-86.3-8.3000113.3R405 E406R405-N409 PolarHBondContact O-N 2.87Å; E406-N409 PolarHBondContact O-N 2.89Å; E406-N409 VanDerWaalsContact O-N 3.08Å
410T55Low55.7Low108 Ų108136.6 Ų136.666%0.66368%0.682SS**  trans-70.3126.6167.749.10000110S408 E412S408-T410 VanDerWaalsContact C-N 3.31Å; S408-T410 PolarHBondContact O-N 2.96Å; T410-E412 PolarHBondContact O-N 3.03Å
411P51.2Low55Low100 Ų100138.3 Ų138.365%0.64970%0.697SS**  trans-67.9126177.327.7-33.6000110.5Y413P411-Y413 PolarHBondContact O-N 3.44Å; P411-Y413 VanDerWaalsContact O-N 3.15Å
412E44.1Very low53.5Low192 Ų192139 Ų13990%0.89771%0.708SS**  trans-66.1111.8171.4-68.7-172.8131.100109.8T410T410-E412 PolarHBondContact O-N 3.03Å
413Y45.8Very low52Low199 Ų199140.2 Ų140.278%0.7873%0.725SS**PPolyproline II helixtrans-71.1132.7163.8-73.7-87.5000108.6P411 V415P411-Y413 PolarHBondContact O-N 3.44Å; P411-Y413 VanDerWaalsContact O-N 3.15Å; Y413-V415 PolarHBondContact O-N 2.88Å; Y413-V415 VanDerWaalsContact O-N 3.11Å
414P47.7Very low50.2Low115 Ų115141 Ų14175%0.74774%0.741SS**PPolyproline II helixtrans-65.4116.3-178.326.1-33.7000110.3V416P414-V416 PolarHBondContact O-N 3.5Å
415V50.3Low48.3Very low137 Ų137137.4 Ų137.483%0.8374%0.742SS**PPolyproline II helixtrans-65.2119.3171.3177.90000108.2Y413 D417Y413-V415 PolarHBondContact O-N 2.88Å; Y413-V415 VanDerWaalsContact O-N 3.11Å; V415-D417 PolarHBondContact O-N 2.88Å; V415-D417 VanDerWaalsContact O-N 3.15Å
416V41.7Very low46.5Very low123 Ų123138.2 Ų138.275%0.74575%0.753SS**  trans-77.799175-171.80000107.9P414 I418P414-V416 PolarHBondContact O-N 3.5Å; V416-I418 HydrophobicContact CG1-CG1 4.49Å; V416-I418 PolarHBondContact O-N 3.45Å
417D38.8Very low44.7Very low130 Ų130136.5 Ų136.570%0.69576%0.758SS**  trans-68.1127.9176.7-1702.6000110.5V415 C419V415-D417 PolarHBondContact O-N 2.88Å; V415-D417 VanDerWaalsContact O-N 3.15Å; D417-C419 PolarHBondContact OD1-SG 3.34Å; D417-C419 VanDerWaalsContact OD1-SG 3.33Å
418I45.3Very low43.8Very low142 Ų142131.8 Ų131.873%0.72876%0.755SS**  trans-124.690.4178.9-58176.7000107.7V416V416-I418 HydrophobicContact CG1-CG1 4.49Å; V416-I418 PolarHBondContact O-N 3.45Å
419C35.1Very low42.4Very low106 Ų106131.8 Ų131.872%0.71676%0.76SS**  trans-118132.4170.2-71.20000111D417D417-C419 PolarHBondContact OD1-SG 3.34Å; D417-C419 VanDerWaalsContact OD1-SG 3.33Å
420I34.4Very low41.6Very low160 Ų160134.2 Ų134.282%0.82177%0.767SS**  trans-89.9144.5177.8-70.7175000108.2
421P52.9Low40.7Very low115 Ų115133.7 Ų133.775%0.74777%0.767SS**  trans-95.7160.2-156.336.9-36.7000114.6
422E34.3Very low39.8Very low194 Ų194134.5 Ų134.591%0.90778%0.775SS**  trans-154.1136.5148.3-127168.3-144.800115.9
423A37.2Very low39.3Very low78 Ų78131.6 Ų131.665%0.64577%0.771SS**  trans38.6123.7152.300000124.9
424N34.8Very low38.9Very low169 Ų169127.2 Ų127.290%0.90477%0.77SS**  trans68.5121.7132.8-64.7-12.6000123.1
425G31.8Very low38.3Very low67 Ų67129 Ų12969%0.69177%0.772SS**  149.592.312500000120.5
426H34Very low37.4Very low196 Ų196127.6 Ų127.691%0.90777%0.769SS**  trans59.8122.5148.4-64.490000122.7
427S33.2Very low36.9Very low113 Ų113125.6 Ų125.679%0.7977%0.772SS**  trans-89.7-169.4160.6-360000110.3
428P52.5Low36.7Very low116 Ų116130.7 Ų130.775%0.75378%0.782SS**  cis-143.9-1579.545.3-23.9000116.3
429A36.1Very low36.1Very low80 Ų80129.5 Ų129.566%0.66179%0.786SS**  trans89.4112.9165.600000116.8
430H37.1Very low35.9Very low178 Ų178128.4 Ų128.482%0.82479%0.793SS**  78.713565.1-69.9-54.2000112.4
431S35.5Very low35.9Very low97 Ų97127.2 Ų127.268%0.67880%0.799SS**  cis-167.2-179.26.1-117.90000113.3
432S33.7Very low34.9Very low117 Ų117125.2 Ų125.282%0.81880%0.799SS**  trans95.8137.8155.877.70000119.5
433T33.7Very low34.8Very low132 Ų132121.1 Ų121.181%0.8179%0.792SS**  trans-137.5-178.7-174.644.90000108.9
434S35.9Very low34.6Very low107 Ų107123.9 Ų123.975%0.74880%0.801SS**  trans82.3151.6164.688.60000116.9
435L35.8Very low34.3Very low152 Ų152119.5 Ų119.580%0.79680%0.795SS**  cis-162156.6-18.8-116.6174.6000110.5
436S32.6Very low34.3Very low108 Ų108122.5 Ų122.576%0.75580%0.8SS**  trans24.9130.8152.462.50000122.5
437G30.6Very low34.2Very low80 Ų80119 Ų11983%0.82580%0.798SS**  trans-155.7148.6159.200000111.6
438R34.2Very low34.1Very low237 Ų237117.9 Ų117.989%0.89480%0.795SS**  trans-134.7138.5-168.8-120165.363.3-159.40.8113.5
439S32.3Very low33.1Very low118 Ų118117.3 Ų117.383%0.82580%0.801SS**  trans50.6119.7147.7-52.90000120.3
440G30.8Very low32.8Very low83 Ų83118.5 Ų118.586%0.85681%0.811SS**  trans-150.6134.4158.400000110.4
441S35.9Very low32.4Very low134 Ų134114.1 Ų114.194%0.93781%0.813SS**  trans-111.9142.8178.1-174.30000110.4
442G30.3Very low32Very low73 Ų73113 Ų11375%0.75382%0.817SS**  trans-165.2146.9178.400000109.4
443S32.4Very low33Very low109 Ų109113.6 Ų113.676%0.76282%0.818SS**  trans-146.8159.4-165.866.40000114.1
444V32.6Very low32.8Very low136 Ų136112.2 Ų112.282%0.82482%0.82SS**  trans69.9126.9169.6-166.70000116.7
445G29.9Very low32.5Very low77 Ų77111.8 Ų111.879%0.79482%0.823SS**  trans-176.2100.6168.100000110.5
446T32.2Very low32.4Very low129 Ų129109 Ų10979%0.79182%0.822SS**  trans-114.7121-170.350.80000113.4
447S31Very low33.1Very low124 Ų124110 Ų11087%0.86783%0.826SS**  trans170.7163.5154.2480000110.5
448A31.3Very low33.1Very low88 Ų88110.1 Ų110.173%0.72783%0.827SS**  cis-169.4148.3-37.300000108.6
449A31.5Very low32.8Very low105 Ų105102.7 Ų102.787%0.86882%0.824SS**  trans61.7166.4168.100000117.1
450A30.3Very low32.7Very low105 Ų105100.7 Ų100.787%0.86882%0.822SS**  cis-165.1155.8-37.800000109.2
451G28.9Very low32.9Very low85 Ų85103.7 Ų103.788%0.87682%0.824SS**  trans130.8135.9164.300000116.4
452G27.1Very low32.8Very low74 Ų74103.2 Ų103.276%0.76382%0.815SS**  trans-128.7-153.2156.400000108.1
453P53.5Low33.2Very low130 Ų130106.1 Ų106.184%0.84482%0.817SS**  cis-129.8-144.2-1.242.4-24.3000111.8
454A30.2Very low33.3Very low102 Ų102106.2 Ų106.284%0.84381%0.809SS**  trans74.2148.3176.400000116.7
455A30.3Very low33.4Very low99 Ų99107.5 Ų107.582%0.81881%0.811SS**  cis-154.4177.2-11.400000111.4
456A33.5Very low33.9Very low94 Ų94108.6 Ų108.678%0.77780%0.802SS**  trans-81.6-171.4174.500000111.3
457P47.1Very low34Very low129 Ų129109.9 Ų109.984%0.83880%0.803SS**  cis-146.9-178.31844.8-24.4000119
458G29.7Very low34.2Very low82 Ų82110 Ų11085%0.84580%0.795SS**  trans102141.6151.100000117.4
459G29.2Very low34.5Very low80 Ų80110.4 Ų110.483%0.82579%0.792SS**  cis165.7148.2-11.700000115
460G29.9Very low35Very low77 Ų77110 Ų11079%0.79478%0.783SS**  trans82.6160.9165.900000117
461V35.2Very low35.4Very low146 Ų146110 Ų11089%0.88578%0.776SS**  cis-143155.5-10.7172.40000108.9
462V33.2Very low36.1Very low124 Ų124114.7 Ų114.775%0.75278%0.775SS**  trans-83.6155.1-177.4-152.80000112.3
463V38.3Very low36.7Very low133 Ų133120 Ų12081%0.80678%0.78SS**  trans-129.1123.7148.9-177.10000108.2
464D34.2Very low36Very low111 Ų111121.8 Ų121.859%0.59478%0.777SS**  trans-112.5149171.4175.335.9000108.7T466D464-T466 PolarHBondContact OD2-OG1 3.27Å
465L35.5Very low36.1Very low163 Ų163119.8 Ų119.885%0.85377%0.767SS**  trans-146.678.7173.6-74.9-179.4000109.8
466T39.8Very low36Very low100 Ų100118.7 Ų118.761%0.61377%0.765SS**  trans-87.4171.7161.943.10000112D464D464-T466 PolarHBondContact OD2-OG1 3.27Å
467L35.3Very low35.9Very low156 Ų156118.2 Ų118.282%0.81777%0.77SS**  trans92.6138.8171.7-53.3-173000116.4
468D34Very low35.3Very low128 Ų128117 Ų11768%0.68477%0.77SS**  cis-164.3-179.4-14.361.5-84.9000113.4
469S37Very low35.4Very low96 Ų96116.9 Ų116.967%0.67177%0.769SS**  trans78.3147155.5-79.80000122.5
470S42.3Very low35.5Very low96 Ų96116 Ų11667%0.67176%0.76SS**  cis-171.8177.4-17.2-100.60000111.5
471S39.8Very low35.7Very low105 Ų105120.2 Ų120.273%0.73477%0.765SS**  trans75.9129.7177.4670000117
472E43Very low35.8Very low183 Ų183118.1 Ų118.186%0.85576%0.756SS**  cis79.7136.619-49179.6141.100115
473E40.8Very low36Very low185 Ų185120 Ų12086%0.86476%0.762SS**  cis-122.8-152.8-2.8-61.3179.495.200109.7
474E37.8Very low35.7Very low168 Ų168120.6 Ų120.679%0.78576%0.761SS**  cis-162.2161.4-2.2-148-73.6100.500109.2
475G31.4Very low36Very low60 Ų60122 Ų12262%0.61977%0.774SS**  trans84.8128.9145.200000120.1
476G29.5Very low35.9Very low76 Ų76121.5 Ų121.578%0.78477%0.772SS**  cis162.2109.6-10.700000115.4
477G30.9Very low35.6Very low85 Ų85124.5 Ų124.588%0.87678%0.784SS**  trans68.8159.4162.200000118.5
478A34.6Very low35.6Very low102 Ų102122 Ų12284%0.84378%0.78SS**  cis-149.7147.7-16.200000107.2
479G30.9Very low35.6Very low80 Ų80123.8 Ų123.883%0.82579%0.789SS**  86.9121.988.400000112.3
480G32.8Very low35.6Very low62 Ų62126.1 Ų126.164%0.63979%0.794SS**  cis-139.6-128.8-12.700000111
481D33.7Very low35.3Very low166 Ų166126.7 Ų126.789%0.88880%0.798SS**  cis-149.8-175.41.8-69.3-73.3000110
482S36.4Very low35Very low101 Ų101127.6 Ų127.671%0.70680%0.801SS**  trans-97.2155-168.454.40000116.2
483D36.9Very low34.6Very low165 Ų165122.9 Ų122.988%0.88279%0.794SS**  -154.7147.8129.6-131-10.1000110.6
484D33.7Very low34.2Very low144 Ų144120.2 Ų120.277%0.7779%0.793SS**  trans-97146.6-163.9-66.7-57.4000115.2
485T39.1Very low33.9Very low142 Ų142122 Ų12287%0.87180%0.798SS**  trans-146114.8142.253.50000110.9
486D34Very low33.9Very low152 Ų152130.9 Ų130.981%0.81381%0.813SS**  trans-67.7136162.4-119.4-35.3000110
487D34.8Very low33.8Very low163 Ų163130.5 Ų130.587%0.87281%0.809SS**  trans-156121.2148.3-140.2-16.2000110.5
488S35.2Very low33.6Very low104 Ų104137.4 Ų137.473%0.72781%0.808SS**  trans-101.6119.9-171.8-78.20000111.5
489N33.4Very low33.5Very low165 Ų165142.6 Ų142.688%0.88281%0.808SS**  trans-149.4140.7160.9-138.1-25.3000113.5
490D36.3Very low33.3Very low145 Ų145146.1 Ų146.178%0.77581%0.808SS**  trans-82.8138.2-169.6-176.616.6000112.3
491S35.8Very low33.5Very low108 Ų108152.1 Ų152.176%0.75581%0.812SS**  trans-162.2132.8170.5-84.20000112.5
492P33.6Very low33.2Very low123 Ų123150.9 Ų150.980%0.79981%0.805SS**  trans-82.6157.3-167.432.4-37.4000115
493A35.2Very low32.9Very low84 Ų84155 Ų15569%0.69481%0.811SS**  trans-55.7146.8-176.800000115K495A493-K495 PolarHBondContact O-N 3.16Å
494P31.4Very low32.7Very low130 Ų130154.1 Ų154.184%0.84481%0.806SS**  trans-69113.4-174.227.2-35.1000112.5R496P494-R496 PolarHBondContact O-N 3.46Å
495K31.5Very low32.9Very low204 Ų204154.2 Ų154.289%0.88781%0.806SS**  trans-64.2132.7173-67.6175.4-179172.10110.1A493 G497A493-K495 PolarHBondContact O-N 3.16Å; K495-G497 PolarHBondContact O-N 3.25Å
496R32.5Very low32.6Very low247 Ų247153.7 Ų153.793%0.93280%0.802SS**  trans-52.9122.1176.6-70.9-178.4176.6-179.5-0.9110.3P494 R498P494-R496 PolarHBondContact O-N 3.46Å; R496-R498 PolarHBondContact O-N 2.88Å
497G26.5Very low32.4Very low68 Ų68152.9 Ų152.970%0.70180%0.803SS**  trans-63101.8-178.200000112.2K495 Y499K495-G497 PolarHBondContact O-N 3.25Å; G497-Y499 PolarHBondContact O-N 3.35Å
498R27Very low32.3Very low230 Ų230149.5 Ų149.587%0.86880%0.798SS**  trans-75.9110.5171.1-163.6-178.2-161.7175.45.6107.7R496 N500R496-R498 PolarHBondContact O-N 2.88Å; R498-N500 PolarHBondContact O-N 3.26Å
499Y33.8Very low32.3Very low212 Ų212159.3 Ų159.383%0.83182%0.821SS**  trans-64.7100.5176.4-66.7-81000110G497 Y501G497-Y499 PolarHBondContact O-N 3.35Å; Y499-Y501 PolarHBondContact O-N 3.47Å; Y499-Y501 VanDerWaalsContact O-N 3.16Å
500N26.1Very low32.2Very low154 Ų154159.1 Ų159.182%0.82482%0.818SS**  trans-68.6107.9164.5-89.34.2000108.1R498R498-N500 PolarHBondContact O-N 3.26Å
501Y36.1Very low32Very low188 Ų188159.8 Ų159.874%0.73782%0.82SS**  trans-73.6130.1155.4-81.4-103.1000107.8Y499 K503Y499-Y501 PolarHBondContact O-N 3.47Å; Y499-Y501 VanDerWaalsContact O-N 3.16Å; Y501-K503 PolarHBondContact O-N 3.35Å
502D28.3Very low31.8Very low139 Ų139162.7 Ų162.774%0.74382%0.824SS**  trans-58.1131.6168.3-88.2-45.3000109.6D504D502-D504 VanDerWaalsContact C-N 3.32Å; D502-D504 PolarHBondContact O-N 2.9Å
503K29.5Very low31.7Very low189 Ų189165 Ų16582%0.82283%0.825SS**SBendtrans-81.6-9.7-174.4-98-172.3168.2-170.30114.1Y501 L505Y501-K503 PolarHBondContact O-N 3.35Å; K503-L505 PolarHBondContact O-N 3.21Å
504D31.9Very low31.5Very low145 Ų145170.1 Ų170.178%0.77583%0.833SS**THydrogen-bonded Turntrans-83.632.3-170.8-59.1-14000113.4D502D502-D504 VanDerWaalsContact C-N 3.32Å; D502-D504 PolarHBondContact O-N 2.9Å
505L38.2Very low31.5Very low146 Ų146172.7 Ų172.776%0.76483%0.833SS**THydrogen-bonded Turntrans-116.316.5-179.3-79.8172.1000113.8K503K503-L505 PolarHBondContact O-N 3.21Å
506V33.4Very low31.5Very low131 Ų131170.5 Ų170.579%0.79483%0.829SS**SBendtrans-131.653.7179.7-162.30000111.9
507T30.1Very low31.4Very low136 Ų136164.6 Ų164.683%0.83482%0.821SS**  trans-15258.4174.33.60000113
508A31.5Very low31.8Very low92 Ų92172.7 Ų172.776%0.7683%0.831SS**  trans-159.765.716900000112.9
509Y35.7Very low32.2Very low310 Ų310167.5 Ų167.5100%1.21683%0.827SS**  trans-135.70160.2-82.5-63.9000108.8

Retrieved 509 of 509 residues in 544.5 ms (Link to these results)

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