A0A087XBM6_POEFO Loading...

Nuclear GTPase SLIP-GC-like

AlphaFold DB , UniProt , Accession A0A087XBM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 811 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
1M82.8Confident87.8Confident56 Ų5660.5 Ų60.528%0.27630%0.303SS..  0115.80-158.8-17370.400110.2V5 R6 I18 F21 K22 G25 I26M1-V5 HydrophobicContact CG-CB 3.87Å; M1-V5 HydrophobicContact CG-CG1 3.69Å; M1-V5 HydrophobicContact SD-CG1 4.2Å; M1-R6 HydrophobicContact CE-CB 3.94Å; M1-R6 HydrophobicContact CE-CG 4.25Å; M1-R6 HydrophobicContact SD-CB 4.35Å; M1-I18 HydrophobicContact CE-CG2 4.09Å; M1-I18 HydrophobicContact SD-CG2 4.4Å; M1-F21 HydrophobicContact SD-CB 4.16Å; M1-K22 HydrophobicContact CE-CB 3.74Å; M1-K22 HydrophobicContact CE-CD 4.28Å; M1-K22 HydrophobicContact CE-CG 4.04Å; M1-K22 HydrophobicContact SD-CB 4.03Å; M1-G25 PolarHBondContact N-O 3.47Å; M1-I26 WeakPolarHBondContact CA-O 3.1Å; M1-I26 WeakPolarHBondContact CB-O 3.33Å; M1-I26 WeakPolarHBondContact CG-O 3.32Å; M1-I26 PolarHBondContact N-O 2.78Å
2D85.5Confident87.2Confident55 Ų5558.8 Ų58.829%0.29431%0.306SS..  trans-98.7-171.6176.951.744000111F4 V5 R6 T28D2-F4 PolarHBondContact OD1-N 3.05Å; D2-V5 PolarHBondContact OD1-N 3.17Å; D2-R6 PolarHBondContact O-N 3.17Å; D2-T28 PolarHBondContact OD1-OG1 2.93Å; D2-T28 WeakPolarHBondContact OD2-CB 2.93Å; D2-T28 PolarHBondContact OD2-N 3.5Å; D2-T28 PolarHBondContact OD2-OG1 2.88Å
3D88.8Confident87Confident104 Ų10458.2 Ų58.256%0.55632%0.323SS*.Hα-helixtrans-66.9-37.4176.5-64.1-46.6000112.6R6 D7D3-R6 PolarHBondContact O-N 3.44Å; D3-R6 IonicContact OD1-CZ 2.67Å; D3-R6 IonicContact OD1-NH1 2.66Å; D3-R6 PolarHBondContact OD1-NH1 3.28Å; D3-R6 IonicContact OD1-NH2 2.73Å; D3-R6 PolarHBondContact OD1-NH2 3.46Å; D3-D7 VanDerWaalsContact O-CB 3.32Å; D3-D7 WeakPolarHBondContact O-CB 3.47Å; D3-D7 PolarHBondContact O-N 3.28Å
4F90Very high87.2Confident81 Ų8154.3 Ų54.336%0.35530%0.301SS..Hα-helixtrans-64-49.9-177.6172-95000112D2 R6 D7 T8 T28 Y32D2-F4 PolarHBondContact OD1-N 3.05Å; F4-R6 VanDerWaalsContact C-N 3.34Å; F4-R6 PolarHBondContact O-N 3.12Å; F4-D7 PolarHBondContact O-N 2.68Å; F4-T8 WeakPolarHBondContact O-CB 3.33Å; F4-T8 PolarHBondContact O-N 2.8Å; F4-T8 PolarHBondContact O-OG1 2.68Å; F4-T28 HydrophobicContact CD1-CG2 3.74Å; F4-T28 VanDerWaalsContact CD1-OG1 3.32Å; F4-T28 WeakPolarHBondContact CD1-OG1 3.39Å; F4-T28 HydrophobicContact CE1-CG2 4Å; F4-Y32 AromaticContact CE1-CE2 3.88Å; F4-Y32 HydrophobicContact CE1-CE2 3.88Å; F4-Y32 HydrophobicContact CZ-CE2 4.24Å
5V89.3Confident87.3Confident0 Ų057.3 Ų57.30%032%0.316CS..Hα-helixtrans-61.5-43.6178.81710000111M1 D2 L9 F21 F31M1-V5 HydrophobicContact CG-CB 3.87Å; M1-V5 HydrophobicContact CG-CG1 3.69Å; M1-V5 HydrophobicContact SD-CG1 4.2Å; D2-V5 PolarHBondContact OD1-N 3.17Å; V5-L9 HydrophobicContact CG1-CD1 4.15Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 WeakPolarHBondContact O-CG 3.44Å; V5-L9 PolarHBondContact O-N 2.85Å; V5-F21 HydrophobicContact CG1-CD1 4.24Å; V5-F31 HydrophobicContact CB-CD2 4.29Å; V5-F31 HydrophobicContact CG1-CD2 3.58Å; V5-F31 HydrophobicContact CG1-CE2 3.78Å; V5-F31 HydrophobicContact CG1-CG 4.48Å; V5-F31 HydrophobicContact CG2-CB 3.82Å; V5-F31 HydrophobicContact CG2-CD2 3.84Å; V5-F31 HydrophobicContact CG2-CE2 4.5Å; V5-F31 HydrophobicContact CG2-CG 3.92Å
6R91.4Very high87.1Confident83 Ų8358.4 Ų58.431%0.31332%0.322SS..Hα-helixtrans-61.4-51.7178.7-177.5-16963.1-122.6-7.8111.7M1 D2 D3 F4 T8 L9 A10 I18M1-R6 HydrophobicContact CE-CB 3.94Å; M1-R6 HydrophobicContact CE-CG 4.25Å; M1-R6 HydrophobicContact SD-CB 4.35Å; D2-R6 PolarHBondContact O-N 3.17Å; D3-R6 PolarHBondContact O-N 3.44Å; D3-R6 IonicContact OD1-CZ 2.67Å; D3-R6 IonicContact OD1-NH1 2.66Å; D3-R6 PolarHBondContact OD1-NH1 3.28Å; D3-R6 IonicContact OD1-NH2 2.73Å; D3-R6 PolarHBondContact OD1-NH2 3.46Å; F4-R6 VanDerWaalsContact C-N 3.34Å; F4-R6 PolarHBondContact O-N 3.12Å; R6-T8 VanDerWaalsContact C-N 3.32Å; R6-L9 PolarHBondContact O-N 2.92Å; R6-A10 WeakPolarHBondContact O-CB 3.47Å; R6-A10 PolarHBondContact O-N 3.16Å; R6-I18 HydrophobicContact CG-CD1 4.33Å; R6-I18 HydrophobicContact CG-CG2 3.98Å
7D88.3Confident87.3Confident65 Ų6555.5 Ų55.535%0.34831%0.305SS..Hα-helixtrans-74.4-30.6-171.6-63.7-6.8000110.4D3 F4 A10 Q11D3-D7 VanDerWaalsContact O-CB 3.32Å; D3-D7 WeakPolarHBondContact O-CB 3.47Å; D3-D7 PolarHBondContact O-N 3.28Å; F4-D7 PolarHBondContact O-N 2.68Å; D7-A10 PolarHBondContact O-N 3.13Å; D7-Q11 WeakPolarHBondContact O-CB 3.47Å; D7-Q11 WeakPolarHBondContact O-CG 3.47Å; D7-Q11 PolarHBondContact O-N 2.66Å
8T88.2Confident87.5Confident15 Ų1554.1 Ų54.19%0.09230%0.297CS..Hα-helixtrans-63.7-45.1170.5-64.80000112.1F4 R6 A12 F31 L55 L59F4-T8 WeakPolarHBondContact O-CB 3.33Å; F4-T8 PolarHBondContact O-N 2.8Å; F4-T8 PolarHBondContact O-OG1 2.68Å; R6-T8 VanDerWaalsContact C-N 3.32Å; T8-A12 WeakPolarHBondContact O-CB 3.4Å; T8-A12 PolarHBondContact O-N 3.35Å; T8-A12 VanDerWaalsContact O-N 3.09Å; T8-F31 HydrophobicContact CG2-CZ 4.32Å; T8-L55 HydrophobicContact CG2-CD1 4.16Å; T8-L55 HydrophobicContact CG2-CD2 4.2Å; T8-L55 HydrophobicContact CG2-CG 4.45Å; T8-L59 HydrophobicContact CG2-CD1 3.54Å
9L90.3Very high87.6Confident0 Ų058.9 Ų58.90%032%0.315CS..Hα-helixtrans-63.9-40.3173.6-76.5172.7000111.9V5 R6 A12 G13 L14 L17 I18 F21 F31 F52 L55V5-L9 HydrophobicContact CG1-CD1 4.15Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 WeakPolarHBondContact O-CG 3.44Å; V5-L9 PolarHBondContact O-N 2.85Å; R6-L9 PolarHBondContact O-N 2.92Å; L9-A12 PolarHBondContact O-N 3.37Å; L9-G13 PolarHBondContact O-N 2.97Å; L9-L14 HydrophobicContact CD2-CB 3.94Å; L9-L14 HydrophobicContact CD2-CD1 4.3Å; L9-L14 PolarHBondContact O-N 2.63Å; L9-L17 HydrophobicContact CD1-CB 4.38Å; L9-L17 HydrophobicContact CD2-CB 4.19Å; L9-L17 HydrophobicContact CD2-CD1 4.24Å; L9-I18 HydrophobicContact CB-CD1 4.27Å; L9-I18 HydrophobicContact CB-CG1 3.68Å; L9-I18 HydrophobicContact CD1-CG1 4.05Å; L9-F21 HydrophobicContact CD1-CB 4.06Å; L9-F21 HydrophobicContact CD1-CD1 4.21Å; L9-F21 HydrophobicContact CD1-CD2 4.38Å; L9-F21 HydrophobicContact CD1-CG 3.95Å; L9-F31 HydrophobicContact CG-CE2 4.45Å; L9-F52 HydrophobicContact CD2-CD2 3.86Å; L9-F52 HydrophobicContact CD2-CE2 3.85Å; L9-L55 HydrophobicContact CD2-CD2 4.37Å
10A87.1Confident87.8Confident38 Ų3858.7 Ų58.731%0.31432%0.316SS..Hα-helixtrans-64.8-46.6178.400000112.1R6 D7 A12 G13 N15 I18R6-A10 WeakPolarHBondContact O-CB 3.47Å; R6-A10 PolarHBondContact O-N 3.16Å; D7-A10 PolarHBondContact O-N 3.13Å; A10-A12 VanDerWaalsContact C-N 3.27Å; A10-A12 PolarHBondContact O-N 2.76Å; A10-G13 PolarHBondContact O-N 3.23Å; A10-N15 WeakPolarHBondContact CA-OD1 3Å; A10-I18 HydrophobicContact CB-CD1 4.05Å
11Q83.8Confident88Confident168 Ų16856 Ų5679%0.78530%0.301SS*.Hα-helixtrans-63.2-31.7176.2-71.8172.336.300112.6D7 G13D7-Q11 WeakPolarHBondContact O-CB 3.47Å; D7-Q11 WeakPolarHBondContact O-CG 3.47Å; D7-Q11 PolarHBondContact O-N 2.66Å; Q11-G13 PolarHBondContact O-N 2.92Å
12A80.6Confident88.4Confident41 Ų4159.9 Ų59.934%0.33932%0.316SS..THydrogen-bonded Turntrans-77.4-3173.600000114.2T8 L9 A10 L14 L55T8-A12 WeakPolarHBondContact O-CB 3.4Å; T8-A12 PolarHBondContact O-N 3.35Å; T8-A12 VanDerWaalsContact O-N 3.09Å; L9-A12 PolarHBondContact O-N 3.37Å; A10-A12 VanDerWaalsContact C-N 3.27Å; A10-A12 PolarHBondContact O-N 2.76Å; A12-L14 VanDerWaalsContact C-N 3.28Å; A12-L14 HydrophobicContact CB-CD1 4.18Å; A12-L14 HydrophobicContact CB-CG 4.28Å; A12-L14 PolarHBondContact O-N 3.39Å; A12-L55 HydrophobicContact CB-CD1 3.91Å; A12-L55 HydrophobicContact CB-CD2 3.58Å; A12-L55 HydrophobicContact CB-CG 4.26Å
13G84.7Confident88.6Confident51 Ų5162.4 Ų62.453%0.52633%0.33SS..THydrogen-bonded Turntrans72.716.7-175.800000114.4L9 A10 Q11 N15L9-G13 PolarHBondContact O-N 2.97Å; A10-G13 PolarHBondContact O-N 3.23Å; Q11-G13 PolarHBondContact O-N 2.92Å; G13-N15 VanDerWaalsContact C-N 3.34Å; G13-N15 PolarHBondContact O-N 3.31Å
14L90.2Very high88.7Confident3 Ų363 Ų632%0.01633%0.329CS..  trans-98.543-177.7-66.6173.9000112L9 A12 D16 L17 K51 F52 L55L9-L14 HydrophobicContact CD2-CB 3.94Å; L9-L14 HydrophobicContact CD2-CD1 4.3Å; L9-L14 PolarHBondContact O-N 2.63Å; A12-L14 VanDerWaalsContact C-N 3.28Å; A12-L14 HydrophobicContact CB-CD1 4.18Å; A12-L14 HydrophobicContact CB-CG 4.28Å; A12-L14 PolarHBondContact O-N 3.39Å; L14-D16 PolarHBondContact O-N 2.95Å; L14-L17 HydrophobicContact CB-CD1 4Å; L14-L17 HydrophobicContact CB-CG 4.17Å; L14-L17 HydrophobicContact CD1-CD1 4.06Å; L14-L17 HydrophobicContact CD2-CD1 4.2Å; L14-L17 HydrophobicContact CG-CD1 4.32Å; L14-L17 WeakPolarHBondContact O-CB 3.42Å; L14-L17 PolarHBondContact O-N 3.08Å; L14-K51 HydrophobicContact CD1-CB 4.25Å; L14-K51 HydrophobicContact CD2-CB 3.86Å; L14-K51 HydrophobicContact CD2-CD 4.13Å; L14-K51 HydrophobicContact CG-CB 4.5Å; L14-F52 HydrophobicContact CD1-CB 4.11Å; L14-F52 HydrophobicContact CD1-CD2 4.23Å; L14-L55 HydrophobicContact CD1-CD2 4.09Å
15N88.6Confident88.7Confident99 Ų9961.2 Ų61.253%0.52933%0.333SS..THydrogen-bonded Turntrans-62.3-21.6-179.3-66-71.5000113A10 G13 L17 I18A10-N15 WeakPolarHBondContact CA-OD1 3Å; G13-N15 VanDerWaalsContact C-N 3.34Å; G13-N15 PolarHBondContact O-N 3.31Å; N15-L17 VanDerWaalsContact C-N 3.26Å; N15-L17 PolarHBondContact O-N 3.18Å; N15-I18 HydrophobicContact CB-CD1 4.38Å; N15-I18 WeakPolarHBondContact OD1-CD1 3.03Å
16D85.1Confident88.8Confident76 Ų7662.1 Ų62.141%0.40634%0.338SS..THydrogen-bonded Turntrans-66.8-25.3172.660.6-42.6000113.1L14 S48L14-D16 PolarHBondContact O-N 2.95Å; D16-S48 PolarHBondContact OD2-OG 2.98Å
17L89.7Confident88.7Confident8 Ų861.1 Ų61.14%0.04234%0.339CS..THydrogen-bonded Turntrans-88.1-22.6-179.4-53.9-173000113.5L9 L14 N15 K19 V20 F21 I43 F52L9-L17 HydrophobicContact CD1-CB 4.38Å; L9-L17 HydrophobicContact CD2-CB 4.19Å; L9-L17 HydrophobicContact CD2-CD1 4.24Å; L14-L17 HydrophobicContact CB-CD1 4Å; L14-L17 HydrophobicContact CB-CG 4.17Å; L14-L17 HydrophobicContact CD1-CD1 4.06Å; L14-L17 HydrophobicContact CD2-CD1 4.2Å; L14-L17 HydrophobicContact CG-CD1 4.32Å; L14-L17 WeakPolarHBondContact O-CB 3.42Å; L14-L17 PolarHBondContact O-N 3.08Å; N15-L17 VanDerWaalsContact C-N 3.26Å; N15-L17 PolarHBondContact O-N 3.18Å; L17-K19 PolarHBondContact O-N 3.46Å; L17-K19 VanDerWaalsContact O-N 3.16Å; L17-V20 PolarHBondContact O-N 3.24Å; L17-F21 HydrophobicContact CB-CD2 4.01Å; L17-F21 HydrophobicContact CB-CE2 4.15Å; L17-F21 HydrophobicContact CD1-CE2 4.38Å; L17-F21 WeakPolarHBondContact O-CD2 3.41Å; L17-F21 PolarHBondContact O-N 3.45Å; L17-I43 HydrophobicContact CD1-CD1 3.63Å; L17-I43 HydrophobicContact CD1-CG1 4.22Å; L17-I43 HydrophobicContact CD1-CG2 4.47Å; L17-I43 HydrophobicContact CD2-CD1 4.49Å; L17-I43 HydrophobicContact CD2-CG1 4.21Å; L17-I43 HydrophobicContact CD2-CG2 3.78Å; L17-F52 HydrophobicContact CD1-CB 4.15Å; L17-F52 HydrophobicContact CD1-CD2 4Å; L17-F52 HydrophobicContact CD1-CG 4.34Å
18I90.6Very high88.8Confident31 Ų3160.2 Ų60.216%0.15934%0.336CS..Hα-helixtrans-55.4-38.2-174.9-66.5176.4000111.9M1 R6 L9 A10 N15 K22M1-I18 HydrophobicContact CE-CG2 4.09Å; M1-I18 HydrophobicContact SD-CG2 4.4Å; R6-I18 HydrophobicContact CG-CD1 4.33Å; R6-I18 HydrophobicContact CG-CG2 3.98Å; L9-I18 HydrophobicContact CB-CD1 4.27Å; L9-I18 HydrophobicContact CB-CG1 3.68Å; L9-I18 HydrophobicContact CD1-CG1 4.05Å; A10-I18 HydrophobicContact CB-CD1 4.05Å; N15-I18 HydrophobicContact CB-CD1 4.38Å; N15-I18 WeakPolarHBondContact OD1-CD1 3.03Å; I18-K22 WeakPolarHBondContact O-CB 3.05Å; I18-K22 PolarHBondContact O-N 3.14Å; I18-K22 VanDerWaalsContact O-N 3.13Å
19K89.6Confident88.6Confident146 Ų14666 Ų6664%0.63536%0.362SS*.Hα-helixtrans-68-46.5175.5-175.3179.1170.6-175.10111.6L17 F21 K22 D23L17-K19 PolarHBondContact O-N 3.46Å; L17-K19 VanDerWaalsContact O-N 3.16Å; K19-F21 PolarHBondContact O-N 2.69Å; K19-K22 WeakPolarHBondContact O-CB 3.48Å; K19-K22 PolarHBondContact O-N 3.33Å; K19-D23 WeakPolarHBondContact CE-OD2 3.41Å; K19-D23 WeakPolarHBondContact CG-OD2 2.78Å; K19-D23 IonicContact NZ-OD2 3.94Å; K19-D23 WeakPolarHBondContact O-CB 3.43Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 3.43Å
20V91.4Very high88.5Confident54 Ų5468.6 Ų68.633%0.32738%0.378SS..Hα-helixtrans-61.4-45.7-178.4-175.50000110.9L17 K22 D23 E24L17-V20 PolarHBondContact O-N 3.24Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 3.26Å; V20-D23 PolarHBondContact O-N 2.63Å; V20-E24 HydrophobicContact CG1-CG 4.4Å; V20-E24 WeakPolarHBondContact O-CB 3.37Å; V20-E24 WeakPolarHBondContact O-CG 3.44Å; V20-E24 PolarHBondContact O-N 3.44Å
21F92.5Very high88.7Confident1 Ų166.8 Ų66.80%0.00436%0.363CS..Hα-helixtrans-67.9-26.6178.5-82-116.8000112.8M1 V5 L9 L17 K19 G25 I26 F31 L34 I43 F52M1-F21 HydrophobicContact SD-CB 4.16Å; V5-F21 HydrophobicContact CG1-CD1 4.24Å; L9-F21 HydrophobicContact CD1-CB 4.06Å; L9-F21 HydrophobicContact CD1-CD1 4.21Å; L9-F21 HydrophobicContact CD1-CD2 4.38Å; L9-F21 HydrophobicContact CD1-CG 3.95Å; L17-F21 HydrophobicContact CB-CD2 4.01Å; L17-F21 HydrophobicContact CB-CE2 4.15Å; L17-F21 HydrophobicContact CD1-CE2 4.38Å; L17-F21 WeakPolarHBondContact O-CD2 3.41Å; L17-F21 PolarHBondContact O-N 3.45Å; K19-F21 PolarHBondContact O-N 2.69Å; F21-G25 PolarHBondContact O-N 3.45Å; F21-I26 HydrophobicContact CB-CB 4.41Å; F21-I26 HydrophobicContact CD1-CB 3.89Å; F21-I26 HydrophobicContact CD1-CG1 4.1Å; F21-I26 HydrophobicContact CD1-CG2 3.77Å; F21-I26 HydrophobicContact CE1-CG2 4.16Å; F21-I26 HydrophobicContact CG-CB 4.47Å; F21-I26 HydrophobicContact CG-CG1 4.49Å; F21-I26 PolarHBondContact O-N 2.63Å; F21-I26 VanDerWaalsContact O-N 3.12Å; F21-F31 AromaticContact CD1-CD2 3.93Å; F21-F31 HydrophobicContact CD1-CD2 3.93Å; F21-F31 HydrophobicContact CD1-CE2 4.11Å; F21-F31 AromaticContact CE1-CD2 3.77Å; F21-F31 HydrophobicContact CE1-CD2 3.77Å; F21-F31 AromaticContact CE1-CE2 3.85Å; F21-F31 HydrophobicContact CE1-CE2 3.85Å; F21-L34 HydrophobicContact CE1-CD1 3.81Å; F21-L34 HydrophobicContact CZ-CD1 4.18Å; F21-I43 HydrophobicContact CE2-CD1 4.18Å; F21-I43 HydrophobicContact CE2-CG1 4.18Å; F21-I43 HydrophobicContact CZ-CD1 4.27Å; F21-F52 HydrophobicContact CE1-CE1 4.35Å; F21-F52 AromaticContact CE1-CE2 3.63Å; F21-F52 HydrophobicContact CE1-CE2 3.63Å; F21-F52 AromaticContact CE1-CZ 3.48Å; F21-F52 HydrophobicContact CE1-CZ 3.48Å; F21-F52 VanDerWaalsContact CE1-CZ 3.48Å; F21-F52 HydrophobicContact CE2-CE2 4.43Å; F21-F52 HydrophobicContact CZ-CD1 4.5Å; F21-F52 HydrophobicContact CZ-CD2 4.07Å; F21-F52 AromaticContact CZ-CE1 3.97Å; F21-F52 HydrophobicContact CZ-CE1 3.97Å; F21-F52 AromaticContact CZ-CE2 3.48Å; F21-F52 HydrophobicContact CZ-CE2 3.48Å; F21-F52 VanDerWaalsContact CZ-CE2 3.48Å; F21-F52 AromaticContact CZ-CZ 3.44Å; F21-F52 HydrophobicContact CZ-CZ 3.44Å; F21-F52 VanDerWaalsContact CZ-CZ 3.44Å
22K91.3Very high88.8Confident139 Ų13960.6 Ų60.660%0.60433%0.333SS*.Hα-helixtrans-73.6-46.6170.8-170.6-179.2178.4-177.70112.2M1 I18 K19 V20 G25M1-K22 HydrophobicContact CE-CB 3.74Å; M1-K22 HydrophobicContact CE-CD 4.28Å; M1-K22 HydrophobicContact CE-CG 4.04Å; M1-K22 HydrophobicContact SD-CB 4.03Å; I18-K22 WeakPolarHBondContact O-CB 3.05Å; I18-K22 PolarHBondContact O-N 3.14Å; I18-K22 VanDerWaalsContact O-N 3.13Å; K19-K22 WeakPolarHBondContact O-CB 3.48Å; K19-K22 PolarHBondContact O-N 3.33Å; V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 3.26Å; K22-G25 PolarHBondContact O-N 3.45Å; K22-G25 VanDerWaalsContact O-N 3.17Å
23D90.5Very high89Confident107 Ų10764.6 Ų64.657%0.57235%0.346SS*.Hα-helixtrans-69.9-33.9-175.6-67.1-6.9000111.3K19 V20 G25K19-D23 WeakPolarHBondContact CE-OD2 3.41Å; K19-D23 WeakPolarHBondContact CG-OD2 2.78Å; K19-D23 IonicContact NZ-OD2 3.94Å; K19-D23 WeakPolarHBondContact O-CB 3.43Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 3.43Å; V20-D23 PolarHBondContact O-N 2.63Å; D23-G25 VanDerWaalsContact C-N 3.29Å; D23-G25 PolarHBondContact O-N 3.2Å
24E90.8Very high89.1Confident117 Ų11762.8 Ų62.855%0.54732%0.324SS..THydrogen-bonded Turntrans-86.510172.5-63.5-80.6150.800113.1V20 I26 L42V20-E24 HydrophobicContact CG1-CG 4.4Å; V20-E24 WeakPolarHBondContact O-CB 3.37Å; V20-E24 WeakPolarHBondContact O-CG 3.44Å; V20-E24 PolarHBondContact O-N 3.44Å; E24-I26 VanDerWaalsContact C-N 3.25Å; E24-I26 HydrophobicContact CB-CG1 4.35Å; E24-I26 PolarHBondContact O-N 3.12Å; E24-L42 HydrophobicContact CB-CD2 3.91Å; E24-L42 HydrophobicContact CG-CD2 3.69Å
25G88.7Confident88.8Confident43 Ų4369.4 Ų69.444%0.44336%0.355SS..  trans77.5-18.7170.700000117.5M1 F21 K22 D23 D27M1-G25 PolarHBondContact N-O 3.47Å; F21-G25 PolarHBondContact O-N 3.45Å; K22-G25 PolarHBondContact O-N 3.45Å; K22-G25 VanDerWaalsContact O-N 3.17Å; D23-G25 VanDerWaalsContact C-N 3.29Å; D23-G25 PolarHBondContact O-N 3.2Å; G25-D27 PolarHBondContact O-N 2.87Å
26I90.9Very high88.3Confident19 Ų1968.9 Ų68.910%0.09735%0.352CS..  trans-39.9117.1-172.7-49.1-57.3000114.2M1 F21 E24 F31 L34 L42M1-I26 WeakPolarHBondContact CA-O 3.1Å; M1-I26 WeakPolarHBondContact CB-O 3.33Å; M1-I26 WeakPolarHBondContact CG-O 3.32Å; M1-I26 PolarHBondContact N-O 2.78Å; F21-I26 HydrophobicContact CB-CB 4.41Å; F21-I26 HydrophobicContact CD1-CB 3.89Å; F21-I26 HydrophobicContact CD1-CG1 4.1Å; F21-I26 HydrophobicContact CD1-CG2 3.77Å; F21-I26 HydrophobicContact CE1-CG2 4.16Å; F21-I26 HydrophobicContact CG-CB 4.47Å; F21-I26 HydrophobicContact CG-CG1 4.49Å; F21-I26 PolarHBondContact O-N 2.63Å; F21-I26 VanDerWaalsContact O-N 3.12Å; E24-I26 VanDerWaalsContact C-N 3.25Å; E24-I26 HydrophobicContact CB-CG1 4.35Å; E24-I26 PolarHBondContact O-N 3.12Å; I26-F31 HydrophobicContact CG2-CB 3.85Å; I26-F31 HydrophobicContact CG2-CD2 4.13Å; I26-L34 HydrophobicContact CD1-CD2 4.3Å; I26-L42 HydrophobicContact CD1-CD1 4.44Å
27D90.2Very high88.1Confident63 Ų6368.7 Ų68.734%0.33736%0.361SS..  trans-109.8-179.4174.655.830.5000111.6G25 E29 T30 F31G25-D27 PolarHBondContact O-N 2.87Å; D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.07Å; D27-E29 PolarHBondContact OD1-N 3.27Å; D27-T30 PolarHBondContact N-OG1 3.41Å; D27-T30 PolarHBondContact O-N 3.2Å; D27-T30 PolarHBondContact O-OG1 3.24Å; D27-T30 WeakPolarHBondContact OD1-CB 3.36Å; D27-T30 PolarHBondContact OD1-N 3.45Å; D27-T30 PolarHBondContact OD1-OG1 2.65Å; D27-F31 WeakPolarHBondContact O-CA 3.32Å; D27-F31 WeakPolarHBondContact O-CB 3.34Å; D27-F31 PolarHBondContact O-N 3.24Å
28T89.6Confident87.9Confident45 Ų4571.6 Ų71.628%0.27638%0.376SS..Hα-helixtrans-55-45-174.7-62.40000112.8D2 F4 Y32D2-T28 PolarHBondContact OD1-OG1 2.93Å; D2-T28 WeakPolarHBondContact OD2-CB 2.93Å; D2-T28 PolarHBondContact OD2-N 3.5Å; D2-T28 PolarHBondContact OD2-OG1 2.88Å; F4-T28 HydrophobicContact CD1-CG2 3.74Å; F4-T28 VanDerWaalsContact CD1-OG1 3.32Å; F4-T28 WeakPolarHBondContact CD1-OG1 3.39Å; F4-T28 HydrophobicContact CE1-CG2 4Å; T28-Y32 HydrophobicContact CG2-CD2 4.02Å; T28-Y32 HydrophobicContact CG2-CE2 3.92Å; T28-Y32 WeakPolarHBondContact O-CD2 3.32Å; T28-Y32 PolarHBondContact O-N 3.25Å; T28-Y32 VanDerWaalsContact O-N 3.17Å
29E85.3Confident87.8Confident137 Ų13770.3 Ų70.364%0.6437%0.37SS*.Hα-helixtrans-66.4-52.5-178.5-175.9172.3-177.200110.9D27 F31 Y32 M33D27-E29 VanDerWaalsContact C-N 3.33Å; D27-E29 PolarHBondContact O-N 3.07Å; D27-E29 PolarHBondContact OD1-N 3.27Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.89Å; E29-Y32 PolarHBondContact O-N 2.92Å; E29-M33 HydrophobicContact CG-CE 3.8Å; E29-M33 WeakPolarHBondContact O-CG 3.32Å; E29-M33 PolarHBondContact O-N 3.2Å; E29-M33 VanDerWaalsContact O-N 3.08Å
30T88.4Confident87.6Confident55 Ų5567.3 Ų67.334%0.33736%0.358SS..Hα-helixtrans-65.4-32178.852.60000112.7D27 M33 L34D27-T30 PolarHBondContact N-OG1 3.41Å; D27-T30 PolarHBondContact O-N 3.2Å; D27-T30 PolarHBondContact O-OG1 3.24Å; D27-T30 WeakPolarHBondContact OD1-CB 3.36Å; D27-T30 PolarHBondContact OD1-N 3.45Å; D27-T30 PolarHBondContact OD1-OG1 2.65Å; T30-M33 PolarHBondContact O-N 2.93Å; T30-M33 VanDerWaalsContact O-N 3.1Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 3.28Å; T30-L34 VanDerWaalsContact O-N 3.13Å
31F89.7Confident87.3Confident0 Ų072.7 Ų72.70%038%0.377CS..Hα-helixtrans-58.4-47.4172.7-173.4-90.4000110.9V5 T8 L9 F21 I26 D27 E29 M33 L34 F52 I56 L59V5-F31 HydrophobicContact CB-CD2 4.29Å; V5-F31 HydrophobicContact CG1-CD2 3.58Å; V5-F31 HydrophobicContact CG1-CE2 3.78Å; V5-F31 HydrophobicContact CG1-CG 4.48Å; V5-F31 HydrophobicContact CG2-CB 3.82Å; V5-F31 HydrophobicContact CG2-CD2 3.84Å; V5-F31 HydrophobicContact CG2-CE2 4.5Å; V5-F31 HydrophobicContact CG2-CG 3.92Å; T8-F31 HydrophobicContact CG2-CZ 4.32Å; L9-F31 HydrophobicContact CG-CE2 4.45Å; F21-F31 AromaticContact CD1-CD2 3.93Å; F21-F31 HydrophobicContact CD1-CD2 3.93Å; F21-F31 HydrophobicContact CD1-CE2 4.11Å; F21-F31 AromaticContact CE1-CD2 3.77Å; F21-F31 HydrophobicContact CE1-CD2 3.77Å; F21-F31 AromaticContact CE1-CE2 3.85Å; F21-F31 HydrophobicContact CE1-CE2 3.85Å; I26-F31 HydrophobicContact CG2-CB 3.85Å; I26-F31 HydrophobicContact CG2-CD2 4.13Å; D27-F31 WeakPolarHBondContact O-CA 3.32Å; D27-F31 WeakPolarHBondContact O-CB 3.34Å; D27-F31 PolarHBondContact O-N 3.24Å; E29-F31 VanDerWaalsContact C-N 3.29Å; E29-F31 PolarHBondContact O-N 2.89Å; F31-M33 VanDerWaalsContact C-N 3.31Å; F31-M33 PolarHBondContact O-N 3.03Å; F31-L34 PolarHBondContact O-N 3.17Å; F31-F52 HydrophobicContact CD2-CE2 4.39Å; F31-F52 HydrophobicContact CD2-CZ 4.17Å; F31-F52 AromaticContact CE2-CE2 3.48Å; F31-F52 HydrophobicContact CE2-CE2 3.48Å; F31-F52 VanDerWaalsContact CE2-CE2 3.48Å; F31-F52 AromaticContact CE2-CZ 3.64Å; F31-F52 HydrophobicContact CE2-CZ 3.64Å; F31-F52 AromaticContact CZ-CE2 3.65Å; F31-F52 HydrophobicContact CZ-CE2 3.65Å; F31-F52 AromaticContact CZ-CZ 3.85Å; F31-F52 HydrophobicContact CZ-CZ 3.85Å; F31-I56 HydrophobicContact CD1-CD1 4.26Å; F31-I56 HydrophobicContact CE1-CD1 4.32Å; F31-I56 HydrophobicContact CE1-CG1 4.3Å; F31-I56 WeakPolarHBondContact O-CD1 3.49Å; F31-L59 HydrophobicContact CE1-CD1 3.93Å; F31-L59 HydrophobicContact CZ-CD1 4.49Å
32Y86.4Confident87.1Confident38 Ų3873.6 Ų73.615%0.14938%0.382CS..Hα-helixtrans-69.3-25.8174.5-78.1-71.3000113.1F4 T28 E29 L59 K60 Q63F4-Y32 AromaticContact CE1-CE2 3.88Å; F4-Y32 HydrophobicContact CE1-CE2 3.88Å; F4-Y32 HydrophobicContact CZ-CE2 4.24Å; T28-Y32 HydrophobicContact CG2-CD2 4.02Å; T28-Y32 HydrophobicContact CG2-CE2 3.92Å; T28-Y32 WeakPolarHBondContact O-CD2 3.32Å; T28-Y32 PolarHBondContact O-N 3.25Å; T28-Y32 VanDerWaalsContact O-N 3.17Å; E29-Y32 PolarHBondContact O-N 2.92Å; Y32-L59 HydrophobicContact CE1-CB 3.81Å; Y32-K60 HydrophobicContact CD1-CG 3.94Å; Y32-K60 HydrophobicContact CE1-CG 4.39Å; Y32-K60 WeakPolarHBondContact O-CE 3.3Å; Y32-K60 PolarHBondContact O-NZ 2.96Å; Y32-Q63 VanDerWaalsContact CE2-NE2 3.25Å; Y32-Q63 PolarHBondContact OH-NE2 3.13Å
33M84.9Confident87.1Confident125 Ų12567.1 Ų67.162%0.61635%0.354SS*.Hα-helixtrans-78.7-15.8177.1-67.5-172.1-175.700115E29 T30 F31 Q35E29-M33 HydrophobicContact CG-CE 3.8Å; E29-M33 WeakPolarHBondContact O-CG 3.32Å; E29-M33 PolarHBondContact O-N 3.2Å; E29-M33 VanDerWaalsContact O-N 3.08Å; T30-M33 PolarHBondContact O-N 2.93Å; T30-M33 VanDerWaalsContact O-N 3.1Å; F31-M33 VanDerWaalsContact C-N 3.31Å; F31-M33 PolarHBondContact O-N 3.03Å; M33-Q35 PolarHBondContact O-N 2.99Å
34L86.8Confident86.5Confident13 Ų1367.2 Ų67.27%0.06836%0.36CS..  trans-50.7125.9-179.3-68.7178.5000113.1F21 I26 T30 F31 D38 I39 L42 F52 I56 K60F21-L34 HydrophobicContact CE1-CD1 3.81Å; F21-L34 HydrophobicContact CZ-CD1 4.18Å; I26-L34 HydrophobicContact CD1-CD2 4.3Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 3.28Å; T30-L34 VanDerWaalsContact O-N 3.13Å; F31-L34 PolarHBondContact O-N 3.17Å; L34-D38 HydrophobicContact CD2-CB 3.93Å; L34-I39 HydrophobicContact CB-CD1 4.18Å; L34-I39 HydrophobicContact CB-CG1 4.01Å; L34-I39 HydrophobicContact CD1-CG1 4.4Å; L34-L42 HydrophobicContact CD1-CD1 4.15Å; L34-L42 HydrophobicContact CD2-CD1 3.6Å; L34-F52 HydrophobicContact CD1-CE1 3.92Å; L34-F52 HydrophobicContact CD1-CZ 3.89Å; L34-I56 HydrophobicContact CB-CD1 4.18Å; L34-I56 HydrophobicContact CD1-CD1 4.37Å; L34-K60 PolarHBondContact O-NZ 2.93Å
35Q83.8Confident86.2Confident141 Ų14168.5 Ų68.566%0.65936%0.364SS*.  trans-96.8169.6172.5-53.8-1686.300111.1M33 A37 D38 I39M33-Q35 PolarHBondContact O-N 2.99Å; Q35-A37 VanDerWaalsContact C-N 3.3Å; Q35-A37 PolarHBondContact O-N 2.81Å; Q35-D38 WeakPolarHBondContact CB-OD2 3.02Å; Q35-D38 PolarHBondContact N-OD2 3.4Å; Q35-D38 PolarHBondContact O-N 3.2Å; Q35-I39 VanDerWaalsContact O-CG1 3.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.37Å; Q35-I39 PolarHBondContact O-N 3.37Å
36D78.9Confident85.2Confident88 Ų8871.6 Ų71.647%0.47137%0.369SS..Hα-helixtrans-56.9-41.5-178.3-88.2-56000112.7D38 I39 E40 K53D36-D38 PolarHBondContact O-N 3.27Å; D36-I39 PolarHBondContact O-N 2.94Å; D36-E40 WeakPolarHBondContact O-CG 3.47Å; D36-E40 PolarHBondContact O-N 3.17Å; D36-K53 VanDerWaalsContact OD1-CD 3.28Å; D36-K53 WeakPolarHBondContact OD1-CD 3.49Å; D36-K53 WeakPolarHBondContact OD1-CE 3.47Å; D36-K53 IonicContact OD1-NZ 2.73Å; D36-K53 PolarHBondContact OD1-NZ 3.43Å
37A80Confident84.5Confident72 Ų7273 Ų7360%0.59539%0.388SS*.Hα-helixtrans-61.9-39.8178.300000113.2Q35 E40 K41Q35-A37 VanDerWaalsContact C-N 3.3Å; Q35-A37 PolarHBondContact O-N 2.81Å; A37-E40 PolarHBondContact O-N 3.18Å; A37-K41 PolarHBondContact O-N 2.98Å
38D86.8Confident83.9Confident69 Ų6971 Ų7137%0.36938%0.378SS..Hα-helixtrans-66.9-43177.1-48.7-56.4000110.4L34 Q35 D36 E40 K41 L42L34-D38 HydrophobicContact CD2-CB 3.93Å; Q35-D38 WeakPolarHBondContact CB-OD2 3.02Å; Q35-D38 PolarHBondContact N-OD2 3.4Å; Q35-D38 PolarHBondContact O-N 3.2Å; D36-D38 PolarHBondContact O-N 3.27Å; D38-E40 VanDerWaalsContact C-N 3.29Å; D38-E40 PolarHBondContact O-N 3.06Å; D38-K41 PolarHBondContact O-N 3.05Å; D38-L42 WeakPolarHBondContact O-CB 3.25Å; D38-L42 VanDerWaalsContact O-CG 3.32Å; D38-L42 WeakPolarHBondContact O-CG 3.14Å; D38-L42 PolarHBondContact O-N 3.28Å
39I88.4Confident83.9Confident5 Ų570.2 Ų70.23%0.02637%0.37CS..Hα-helixtrans-64.1-34.1177.5-66.2169000111.4L34 Q35 D36 I43 R49 F52 K53 I56L34-I39 HydrophobicContact CB-CD1 4.18Å; L34-I39 HydrophobicContact CB-CG1 4.01Å; L34-I39 HydrophobicContact CD1-CG1 4.4Å; Q35-I39 VanDerWaalsContact O-CG1 3.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.37Å; Q35-I39 PolarHBondContact O-N 3.37Å; D36-I39 PolarHBondContact O-N 2.94Å; I39-I43 HydrophobicContact CG2-CD1 4.24Å; I39-I43 PolarHBondContact O-N 3.13Å; I39-R49 HydrophobicContact CG2-CG 3.86Å; I39-F52 HydrophobicContact CD1-CD1 4.22Å; I39-F52 HydrophobicContact CD1-CE1 4Å; I39-F52 HydrophobicContact CG1-CD1 4.18Å; I39-F52 HydrophobicContact CG1-CE1 3.94Å; I39-F52 HydrophobicContact CG2-CD1 3.95Å; I39-K53 HydrophobicContact CD1-CG 4.45Å; I39-K53 HydrophobicContact CG2-CD 4.32Å; I39-K53 HydrophobicContact CG2-CG 3.79Å; I39-I56 HydrophobicContact CD1-CG2 4.3Å
40E84.1Confident83.5Confident82 Ų8268.2 Ų68.238%0.38336%0.364SS..Hα-helixtrans-67.4-36.2175.3-57.5-108.5145.200112.2D36 A37 D38 R49 K53D36-E40 WeakPolarHBondContact O-CG 3.47Å; D36-E40 PolarHBondContact O-N 3.17Å; A37-E40 PolarHBondContact O-N 3.18Å; D38-E40 VanDerWaalsContact C-N 3.29Å; D38-E40 PolarHBondContact O-N 3.06Å; E40-R49 VanDerWaalsContact CD-NH1 3.27Å; E40-R49 IonicContact OE1-CZ 2.76Å; E40-R49 VanDerWaalsContact OE1-CZ 3.24Å; E40-R49 IonicContact OE1-NE 2.92Å; E40-R49 IonicContact OE1-NH1 3.3Å; E40-R49 IonicContact OE1-NH2 3.48Å; E40-R49 PolarHBondContact OE1-NH2 3.1Å; E40-R49 IonicContact OE2-CZ 2.83Å; E40-R49 IonicContact OE2-NH1 3.97Å; E40-R49 PolarHBondContact OE2-NH1 3.46Å; E40-R49 IonicContact OE2-NH2 2.77Å; E40-R49 PolarHBondContact OE2-NH2 3.44Å; E40-K53 IonicContact OE1-NZ 2.73Å; E40-K53 PolarHBondContact OE1-NZ 3.06Å
41K85.9Confident83.1Confident167 Ų16772.1 Ų72.173%0.72638%0.376SS*.Hα-helixtrans-76.9-45.3177.1-174-170.4174.7-157.30112.4A37 D38 I43A37-K41 PolarHBondContact O-N 2.98Å; D38-K41 PolarHBondContact O-N 3.05Å; K41-I43 VanDerWaalsContact C-N 3.35Å
42L87.4Confident83.1Confident21 Ų2172.1 Ų72.111%0.1138%0.376CS..Hα-helixtrans-68.8-30-179.8-74.8166.9000112.8E24 I26 L34 D38E24-L42 HydrophobicContact CB-CD2 3.91Å; E24-L42 HydrophobicContact CG-CD2 3.69Å; I26-L42 HydrophobicContact CD1-CD1 4.44Å; L34-L42 HydrophobicContact CD1-CD1 4.15Å; L34-L42 HydrophobicContact CD2-CD1 3.6Å; D38-L42 WeakPolarHBondContact O-CB 3.25Å; D38-L42 VanDerWaalsContact O-CG 3.32Å; D38-L42 WeakPolarHBondContact O-CG 3.14Å; D38-L42 PolarHBondContact O-N 3.28Å
43I91.1Very high83Confident3 Ų371.4 Ų71.42%0.01537%0.374CS..  trans-129.179.1-175.2-43.6172.2000111.1L17 F21 I39 K41 K45 R49 F52L17-I43 HydrophobicContact CD1-CD1 3.63Å; L17-I43 HydrophobicContact CD1-CG1 4.22Å; L17-I43 HydrophobicContact CD1-CG2 4.47Å; L17-I43 HydrophobicContact CD2-CD1 4.49Å; L17-I43 HydrophobicContact CD2-CG1 4.21Å; L17-I43 HydrophobicContact CD2-CG2 3.78Å; F21-I43 HydrophobicContact CE2-CD1 4.18Å; F21-I43 HydrophobicContact CE2-CG1 4.18Å; F21-I43 HydrophobicContact CZ-CD1 4.27Å; I39-I43 HydrophobicContact CG2-CD1 4.24Å; I39-I43 PolarHBondContact O-N 3.13Å; K41-I43 VanDerWaalsContact C-N 3.35Å; I43-K45 PolarHBondContact O-N 2.76Å; I43-K45 VanDerWaalsContact O-N 3.12Å; I43-R49 HydrophobicContact CB-CB 4.01Å; I43-R49 HydrophobicContact CB-CG 4.25Å; I43-R49 HydrophobicContact CG2-CB 3.83Å; I43-R49 WeakPolarHBondContact O-CD 3.44Å; I43-F52 HydrophobicContact CD1-CB 3.39Å; I43-F52 HydrophobicContact CD1-CD1 3.57Å; I43-F52 HydrophobicContact CD1-CD2 4.06Å; I43-F52 HydrophobicContact CD1-CE1 4.41Å; I43-F52 HydrophobicContact CD1-CG 3.36Å
44P78Confident82.8Confident108 Ų10871.7 Ų71.770%0.70137%0.371SS*.  trans-62.7-20.3-179.8-25.235.6000114.8M46P44-M46 PolarHBondContact O-N 3.46Å
45K84.3Confident82.8Confident144 Ų14471.6 Ų71.663%0.62637%0.371SS*.SBendtrans-82.6107.2177.8-72-176.3-179.3175.40111I43 G47 S48 R49I43-K45 PolarHBondContact O-N 2.76Å; I43-K45 VanDerWaalsContact O-N 3.12Å; K45-G47 VanDerWaalsContact C-N 3.28Å; K45-G47 PolarHBondContact O-N 2.83Å; K45-G47 VanDerWaalsContact O-N 3.09Å; K45-S48 PolarHBondContact O-N 3.08Å; K45-S48 VanDerWaalsContact O-N 3.09Å; K45-R49 WeakPolarHBondContact O-CB 2.84Å; K45-R49 PolarHBondContact O-N 3.44Å
46M68.6Low82.8Confident109 Ų10965.1 Ų65.154%0.53734%0.341SS..Hα-helixtrans-40.8-48.8177.2-66.4-59.1-67.700114.4P44 R49 L50P44-M46 PolarHBondContact O-N 3.46Å; M46-R49 WeakPolarHBondContact O-CB 3.45Å; M46-R49 PolarHBondContact O-N 2.75Å; M46-R49 PolarHBondContact SD-NH2 3.17Å; M46-L50 WeakPolarHBondContact O-CG 3.42Å; M46-L50 PolarHBondContact O-N 3.4Å
47G77.1Confident82.9Confident49 Ų4967 Ų6751%0.50534%0.341SS..Hα-helixtrans-65.1-45-178.500000114.4K45 R49 K51K45-G47 VanDerWaalsContact C-N 3.28Å; K45-G47 PolarHBondContact O-N 2.83Å; K45-G47 VanDerWaalsContact O-N 3.09Å; G47-R49 VanDerWaalsContact C-N 3.31Å; G47-K51 WeakPolarHBondContact O-CG 3.35Å; G47-K51 PolarHBondContact O-N 3.41Å
48S76.4Confident83Confident19 Ų1970.2 Ų70.213%0.13334%0.338CS..Hα-helixtrans-68.4-34.7173.9-52.20000110.7D16 K45 F52D16-S48 PolarHBondContact OD2-OG 2.98Å; K45-S48 PolarHBondContact O-N 3.08Å; K45-S48 VanDerWaalsContact O-N 3.09Å; S48-F52 WeakPolarHBondContact O-CB 3.05Å; S48-F52 PolarHBondContact O-N 2.74Å
49R90.1Very high82.6Confident29 Ų2967.5 Ų67.511%0.10932%0.323CS..Hα-helixtrans-64.2-47.8179.3-172166.770.9178.826.2112.6I39 E40 I43 K45 M46 G47 F52 K53I39-R49 HydrophobicContact CG2-CG 3.86Å; E40-R49 VanDerWaalsContact CD-NH1 3.27Å; E40-R49 IonicContact OE1-CZ 2.76Å; E40-R49 VanDerWaalsContact OE1-CZ 3.24Å; E40-R49 IonicContact OE1-NE 2.92Å; E40-R49 IonicContact OE1-NH1 3.3Å; E40-R49 IonicContact OE1-NH2 3.48Å; E40-R49 PolarHBondContact OE1-NH2 3.1Å; E40-R49 IonicContact OE2-CZ 2.83Å; E40-R49 IonicContact OE2-NH1 3.97Å; E40-R49 PolarHBondContact OE2-NH1 3.46Å; E40-R49 IonicContact OE2-NH2 2.77Å; E40-R49 PolarHBondContact OE2-NH2 3.44Å; I43-R49 HydrophobicContact CB-CB 4.01Å; I43-R49 HydrophobicContact CB-CG 4.25Å; I43-R49 HydrophobicContact CG2-CB 3.83Å; I43-R49 WeakPolarHBondContact O-CD 3.44Å; K45-R49 WeakPolarHBondContact O-CB 2.84Å; K45-R49 PolarHBondContact O-N 3.44Å; M46-R49 WeakPolarHBondContact O-CB 3.45Å; M46-R49 PolarHBondContact O-N 2.75Å; M46-R49 PolarHBondContact SD-NH2 3.17Å; G47-R49 VanDerWaalsContact C-N 3.31Å; R49-F52 PolarHBondContact O-N 2.98Å; R49-K53 WeakPolarHBondContact O-CG 3.25Å; R49-K53 PolarHBondContact O-N 3.46Å
50L75.6Confident82.2Confident96 Ų9670.8 Ų70.850%0.50334%0.337SS..Hα-helixtrans-64.9-42.5178.4-70.8168.3000111.6M46 F52 K53 K54M46-L50 WeakPolarHBondContact O-CG 3.42Å; M46-L50 PolarHBondContact O-N 3.4Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 2.92Å; L50-K53 PolarHBondContact O-N 3.18Å; L50-K54 PolarHBondContact O-N 3.33Å
51K81.2Confident81.4Confident137 Ų13770.1 Ų70.160%0.59635%0.346SS*.Hα-helixtrans-58.8-42.2172.5-73.3179.1178.6-173.90112.2L14 G47 K54 L55L14-K51 HydrophobicContact CD1-CB 4.25Å; L14-K51 HydrophobicContact CD2-CB 3.86Å; L14-K51 HydrophobicContact CD2-CD 4.13Å; L14-K51 HydrophobicContact CG-CB 4.5Å; G47-K51 WeakPolarHBondContact O-CG 3.35Å; G47-K51 PolarHBondContact O-N 3.41Å; K51-K54 PolarHBondContact O-N 3.21Å; K51-L55 WeakPolarHBondContact O-CB 3.46Å; K51-L55 PolarHBondContact O-N 2.81Å
52F90.5Very high80.6Confident0 Ų068 Ų680%034%0.339CS..Hα-helixtrans-65.8-44175.6-173.5-95.1000112.6L9 L14 L17 F21 F31 L34 I39 I43 S48 R49 L50 K54 L55 I56L9-F52 HydrophobicContact CD2-CD2 3.86Å; L9-F52 HydrophobicContact CD2-CE2 3.85Å; L14-F52 HydrophobicContact CD1-CB 4.11Å; L14-F52 HydrophobicContact CD1-CD2 4.23Å; L17-F52 HydrophobicContact CD1-CB 4.15Å; L17-F52 HydrophobicContact CD1-CD2 4Å; L17-F52 HydrophobicContact CD1-CG 4.34Å; F21-F52 HydrophobicContact CE1-CE1 4.35Å; F21-F52 AromaticContact CE1-CE2 3.63Å; F21-F52 HydrophobicContact CE1-CE2 3.63Å; F21-F52 AromaticContact CE1-CZ 3.48Å; F21-F52 HydrophobicContact CE1-CZ 3.48Å; F21-F52 VanDerWaalsContact CE1-CZ 3.48Å; F21-F52 HydrophobicContact CE2-CE2 4.43Å; F21-F52 HydrophobicContact CZ-CD1 4.5Å; F21-F52 HydrophobicContact CZ-CD2 4.07Å; F21-F52 AromaticContact CZ-CE1 3.97Å; F21-F52 HydrophobicContact CZ-CE1 3.97Å; F21-F52 AromaticContact CZ-CE2 3.48Å; F21-F52 HydrophobicContact CZ-CE2 3.48Å; F21-F52 VanDerWaalsContact CZ-CE2 3.48Å; F21-F52 AromaticContact CZ-CZ 3.44Å; F21-F52 HydrophobicContact CZ-CZ 3.44Å; F21-F52 VanDerWaalsContact CZ-CZ 3.44Å; F31-F52 HydrophobicContact CD2-CE2 4.39Å; F31-F52 HydrophobicContact CD2-CZ 4.17Å; F31-F52 AromaticContact CE2-CE2 3.48Å; F31-F52 HydrophobicContact CE2-CE2 3.48Å; F31-F52 VanDerWaalsContact CE2-CE2 3.48Å; F31-F52 AromaticContact CE2-CZ 3.64Å; F31-F52 HydrophobicContact CE2-CZ 3.64Å; F31-F52 AromaticContact CZ-CE2 3.65Å; F31-F52 HydrophobicContact CZ-CE2 3.65Å; F31-F52 AromaticContact CZ-CZ 3.85Å; F31-F52 HydrophobicContact CZ-CZ 3.85Å; L34-F52 HydrophobicContact CD1-CE1 3.92Å; L34-F52 HydrophobicContact CD1-CZ 3.89Å; I39-F52 HydrophobicContact CD1-CD1 4.22Å; I39-F52 HydrophobicContact CD1-CE1 4Å; I39-F52 HydrophobicContact CG1-CD1 4.18Å; I39-F52 HydrophobicContact CG1-CE1 3.94Å; I39-F52 HydrophobicContact CG2-CD1 3.95Å; I43-F52 HydrophobicContact CD1-CB 3.39Å; I43-F52 HydrophobicContact CD1-CD1 3.57Å; I43-F52 HydrophobicContact CD1-CD2 4.06Å; I43-F52 HydrophobicContact CD1-CE1 4.41Å; I43-F52 HydrophobicContact CD1-CG 3.36Å; S48-F52 WeakPolarHBondContact O-CB 3.05Å; S48-F52 PolarHBondContact O-N 2.74Å; R49-F52 PolarHBondContact O-N 2.98Å; L50-F52 VanDerWaalsContact C-N 3.32Å; L50-F52 PolarHBondContact O-N 2.92Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.4Å; F52-L55 HydrophobicContact CD2-CD2 4.4Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 2.97Å; F52-I56 HydrophobicContact CE1-CB 4.25Å; F52-I56 HydrophobicContact CE1-CD1 3.8Å; F52-I56 HydrophobicContact CE1-CG2 4.32Å; F52-I56 HydrophobicContact CZ-CB 4.45Å; F52-I56 HydrophobicContact CZ-CD1 3.85Å; F52-I56 WeakPolarHBondContact O-CG2 3.18Å; F52-I56 PolarHBondContact O-N 3.24Å
53K83.9Confident79.1Confident23 Ų2372.8 Ų72.810%0.136%0.36CS..Hα-helixtrans-59.6-38.8174-69.7-171.3-173.5-1660111.6D36 I39 E40 R49 L50 R57D36-K53 VanDerWaalsContact OD1-CD 3.28Å; D36-K53 WeakPolarHBondContact OD1-CD 3.49Å; D36-K53 WeakPolarHBondContact OD1-CE 3.47Å; D36-K53 IonicContact OD1-NZ 2.73Å; D36-K53 PolarHBondContact OD1-NZ 3.43Å; I39-K53 HydrophobicContact CD1-CG 4.45Å; I39-K53 HydrophobicContact CG2-CD 4.32Å; I39-K53 HydrophobicContact CG2-CG 3.79Å; E40-K53 IonicContact OE1-NZ 2.73Å; E40-K53 PolarHBondContact OE1-NZ 3.06Å; R49-K53 WeakPolarHBondContact O-CG 3.25Å; R49-K53 PolarHBondContact O-N 3.46Å; L50-K53 PolarHBondContact O-N 3.18Å; K53-R57 WeakPolarHBondContact O-CB 3.44Å; K53-R57 VanDerWaalsContact O-CG 3.22Å; K53-R57 WeakPolarHBondContact O-CG 3.29Å; K53-R57 PolarHBondContact O-N 3.37Å
54K80.4Confident76.6Confident131 Ų13177 Ų7757%0.5739%0.386SS*.Hα-helixtrans-66.3-42.3174.5-166.5160.6-174.9161.20112.3L50 K51 F52 R58L50-K54 PolarHBondContact O-N 3.33Å; K51-K54 PolarHBondContact O-N 3.21Å; F52-K54 VanDerWaalsContact C-N 3.3Å; F52-K54 PolarHBondContact O-N 3.4Å; K54-R58 PolarHBondContact O-N 2.96Å
55L85.8Confident74.4Confident10 Ų1077.1 Ų77.15%0.05239%0.388CS..Hα-helixtrans-60.5-52.3174.7175.464.1000112.1T8 L9 A12 L14 K51 F52 R58 L59T8-L55 HydrophobicContact CG2-CD1 4.16Å; T8-L55 HydrophobicContact CG2-CD2 4.2Å; T8-L55 HydrophobicContact CG2-CG 4.45Å; L9-L55 HydrophobicContact CD2-CD2 4.37Å; A12-L55 HydrophobicContact CB-CD1 3.91Å; A12-L55 HydrophobicContact CB-CD2 3.58Å; A12-L55 HydrophobicContact CB-CG 4.26Å; L14-L55 HydrophobicContact CD1-CD2 4.09Å; K51-L55 WeakPolarHBondContact O-CB 3.46Å; K51-L55 PolarHBondContact O-N 2.81Å; F52-L55 HydrophobicContact CD2-CD2 4.4Å; F52-L55 WeakPolarHBondContact O-CB 3.47Å; F52-L55 PolarHBondContact O-N 2.97Å; L55-R58 WeakPolarHBondContact O-CB 3.48Å; L55-R58 PolarHBondContact O-N 3.28Å; L55-L59 HydrophobicContact CD1-CD1 3.79Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.84Å; L55-L59 WeakPolarHBondContact O-CG 3.08Å; L55-L59 PolarHBondContact O-N 3.2Å
56I85.3Confident72Confident6 Ų678.2 Ų78.23%0.03140%0.4CS..Hα-helixtrans-72.8-33.7-173.4-159166.3000112.5F31 L34 I39 F52 R58 L59 K60F31-I56 HydrophobicContact CD1-CD1 4.26Å; F31-I56 HydrophobicContact CE1-CD1 4.32Å; F31-I56 HydrophobicContact CE1-CG1 4.3Å; F31-I56 WeakPolarHBondContact O-CD1 3.49Å; L34-I56 HydrophobicContact CB-CD1 4.18Å; L34-I56 HydrophobicContact CD1-CD1 4.37Å; I39-I56 HydrophobicContact CD1-CG2 4.3Å; F52-I56 HydrophobicContact CE1-CB 4.25Å; F52-I56 HydrophobicContact CE1-CD1 3.8Å; F52-I56 HydrophobicContact CE1-CG2 4.32Å; F52-I56 HydrophobicContact CZ-CB 4.45Å; F52-I56 HydrophobicContact CZ-CD1 3.85Å; F52-I56 WeakPolarHBondContact O-CG2 3.18Å; F52-I56 PolarHBondContact O-N 3.24Å; I56-R58 VanDerWaalsContact C-N 3.35Å; I56-L59 PolarHBondContact O-N 3.31Å; I56-K60 HydrophobicContact CG1-CD 4.45Å; I56-K60 WeakPolarHBondContact O-CB 3.32Å; I56-K60 VanDerWaalsContact O-CG 3.3Å; I56-K60 WeakPolarHBondContact O-CG 3.49Å; I56-K60 PolarHBondContact O-N 2.97Å
57R79.9Confident69.9Low127 Ų12782 Ų8248%0.47942%0.416SS..Hα-helixtrans-60.2-43.6169.9-76.2175.9-175.3166.31.5111.3K53 K60 A61 E227K53-R57 WeakPolarHBondContact O-CB 3.44Å; K53-R57 VanDerWaalsContact O-CG 3.22Å; K53-R57 WeakPolarHBondContact O-CG 3.29Å; K53-R57 PolarHBondContact O-N 3.37Å; R57-K60 PolarHBondContact O-N 3.17Å; R57-A61 WeakPolarHBondContact O-CB 3.21Å; R57-A61 PolarHBondContact O-N 3.33Å; R57-E227 IonicContact CZ-OE1 3.31Å; R57-E227 IonicContact NH1-OE1 2.87Å; R57-E227 PolarHBondContact NH1-OE1 2.99Å; R57-E227 IonicContact NH2-OE1 3.23Å
58R82.9Confident67.5Low139 Ų13984.5 Ų84.553%0.52543%0.426SS..Hα-helixtrans-60.8-50.9176.8-167.3-170.773.2-151.2-4111.2K54 L55 I56 K60 A61 E62K54-R58 PolarHBondContact O-N 2.96Å; L55-R58 WeakPolarHBondContact O-CB 3.48Å; L55-R58 PolarHBondContact O-N 3.28Å; I56-R58 VanDerWaalsContact C-N 3.35Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.38Å; R58-A61 PolarHBondContact O-N 2.9Å; R58-E62 WeakPolarHBondContact CD-OE1 3.2Å; R58-E62 VanDerWaalsContact CG-OE1 3.31Å; R58-E62 WeakPolarHBondContact CG-OE1 3.39Å; R58-E62 IonicContact NE-OE1 2.69Å; R58-E62 PolarHBondContact NE-OE1 3.31Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.45Å
59L78.4Confident65.2Low12 Ų1289.6 Ų89.66%0.06346%0.459CS..Hα-helixtrans-64.1-31.9-179.2-68.1164000113T8 F31 Y32 L55 I56T8-L59 HydrophobicContact CG2-CD1 3.54Å; F31-L59 HydrophobicContact CE1-CD1 3.93Å; F31-L59 HydrophobicContact CZ-CD1 4.49Å; Y32-L59 HydrophobicContact CE1-CB 3.81Å; L55-L59 HydrophobicContact CD1-CD1 3.79Å; L55-L59 HydrophobicContact CD1-CG 4.34Å; L55-L59 HydrophobicContact CG-CD1 3.84Å; L55-L59 WeakPolarHBondContact O-CG 3.08Å; L55-L59 PolarHBondContact O-N 3.2Å; I56-L59 PolarHBondContact O-N 3.31Å
60K79.3Confident62.1Low74 Ų7494.8 Ų94.832%0.32249%0.489SS..Hα-helixtrans-69.7-45.9172.6-75.7176.4176.3-170.60111.3Y32 L34 I56 R57 R58 E62 Q63 T64Y32-K60 HydrophobicContact CD1-CG 3.94Å; Y32-K60 HydrophobicContact CE1-CG 4.39Å; Y32-K60 WeakPolarHBondContact O-CE 3.3Å; Y32-K60 PolarHBondContact O-NZ 2.96Å; L34-K60 PolarHBondContact O-NZ 2.93Å; I56-K60 HydrophobicContact CG1-CD 4.45Å; I56-K60 WeakPolarHBondContact O-CB 3.32Å; I56-K60 VanDerWaalsContact O-CG 3.3Å; I56-K60 WeakPolarHBondContact O-CG 3.49Å; I56-K60 PolarHBondContact O-N 2.97Å; R57-K60 PolarHBondContact O-N 3.17Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.38Å; K60-E62 PolarHBondContact O-N 2.71Å; K60-Q63 PolarHBondContact O-N 2.7Å; K60-T64 PolarHBondContact O-N 3.22Å; K60-T64 PolarHBondContact O-OG1 3.32Å
61A66.9Low59.7Low68 Ų6898.7 Ų98.756%0.56250%0.504SS*.Hα-helixtrans-64.5-26.517600000113.4R57 R58 Q63R57-A61 WeakPolarHBondContact O-CB 3.21Å; R57-A61 PolarHBondContact O-N 3.33Å; R58-A61 PolarHBondContact O-N 2.9Å; A61-Q63 VanDerWaalsContact C-N 3.29Å
62E69.8Low56.9Low123 Ų12399.9 Ų99.958%0.57551%0.51SS*.THydrogen-bonded Turntrans-72.9-16.7172.4-74.5164.4-176.500113.2R58 K60R58-E62 WeakPolarHBondContact CD-OE1 3.2Å; R58-E62 VanDerWaalsContact CG-OE1 3.31Å; R58-E62 WeakPolarHBondContact CG-OE1 3.39Å; R58-E62 IonicContact NE-OE1 2.69Å; R58-E62 PolarHBondContact NE-OE1 3.31Å; R58-E62 WeakPolarHBondContact O-CG 3.49Å; R58-E62 PolarHBondContact O-N 3.45Å; K60-E62 PolarHBondContact O-N 2.71Å
63Q55.7Low53.7Low121 Ų121105.3 Ų105.357%0.56555%0.545SS*.THydrogen-bonded Turntrans-99-27.8176.6-72.1-169.5-3.100114.5Y32 K60 A61 P65Y32-Q63 VanDerWaalsContact CE2-NE2 3.25Å; Y32-Q63 PolarHBondContact OH-NE2 3.13Å; K60-Q63 PolarHBondContact O-N 2.7Å; A61-Q63 VanDerWaalsContact C-N 3.29Å; Q63-P65 WeakPolarHBondContact O-CD 3.22Å
64T38Very low50.9Low91 Ų91110.6 Ų110.656%0.55858%0.579SS**  trans-91.6115.2-176.5530000112.8K60K60-T64 PolarHBondContact O-N 3.22Å; K60-T64 PolarHBondContact O-OG1 3.32Å
65P31.8Very low48.4Very low112 Ų112112.9 Ų112.973%0.72759%0.591SS**  trans-63.6142155-9.426.5000108.7Q63 E67Q63-P65 WeakPolarHBondContact O-CD 3.22Å; P65-E67 PolarHBondContact O-N 3.41Å
66N33.6Very low45.3Very low166 Ų166116 Ų11689%0.88863%0.626SS**  trans-55.5110.1-177.3-6712.2000112.7
67E25.8Very low42.4Very low188 Ų188124.9 Ų124.988%0.87967%0.667SS**  trans-112.5131.2160.7-67.9-168.3150.900109.3P65P65-E67 PolarHBondContact O-N 3.41Å
68S26.3Very low39.8Very low103 Ų103128.1 Ų128.172%0.7269%0.688SS**  trans-91138.7175.4-60.60000110.1N70S68-N70 PolarHBondContact O-N 3.08Å
69P28.2Very low36.9Very low125 Ų125130.9 Ų130.981%0.81270%0.704SS**  trans-77.187-175.531-35.6000112.5H71P69-H71 PolarHBondContact O-N 2.78Å
70N25.3Very low34.2Very low138 Ų138134 Ų13474%0.73874%0.739SS**  trans-72.393.9170.7-83.2-17.1000111.2S68 F72S68-N70 PolarHBondContact O-N 3.08Å; N70-F72 HydrophobicContact CB-CE2 4.36Å
71H24.3Very low31.5Very low179 Ų179139 Ų13983%0.82976%0.763SS**  trans-101.1100176.7-137.4-51.7000110.9P69 P73P69-H71 PolarHBondContact O-N 2.78Å; H71-P73 WeakPolarHBondContact O-CD 3.36Å
72F22.6Very low29.4Very low162 Ų162144.6 Ų144.671%0.71178%0.778SS**  trans-82.7124.8173.7-70.1-84.5000111N70N70-F72 HydrophobicContact CB-CE2 4.36Å
73P24.3Very low27.1Very low113 Ų113147.4 Ų147.473%0.73479%0.791SS**  trans-88.7118.4170.4-4.624.2000111H71 H75H71-P73 WeakPolarHBondContact O-CD 3.36Å; P73-H75 PolarHBondContact O-N 2.83Å
74T23.4Very low25.6Very low134 Ų134147.8 Ų147.882%0.82280%0.801SS**  trans-88.897.7179.6-43.30000111.5
75H28Very low24.8Very low179 Ų179147.1 Ų147.183%0.82981%0.813SS**  trans-128.8120.5167.7-76.7-55.4000111.4P73P73-H75 PolarHBondContact O-N 2.83Å
76G21.9Very low24.3Very low76 Ų76150.6 Ų150.678%0.78482%0.822SS**PPolyproline II helixtrans-82.8142.5177.700000112.4
77H24.5Very low23.9Very low192 Ų192149.7 Ų149.789%0.88982%0.822SS**PPolyproline II helixtrans-94.4133.2165.7-79.9-16.5000111
78Q24.1Very low23.7Very low196 Ų196149.1 Ų149.192%0.91682%0.82SS**PPolyproline II helixtrans-75.3145.9164.6-69.6176.1-34.500109.1
79K23.1Very low23.6Very low197 Ų197150.8 Ų150.886%0.85783%0.825SS**PPolyproline II helixtrans-72.6143.8174.4-70.6-177.9172.7-174.60111.2
80G22.5Very low23.3Very low78 Ų78152.4 Ų152.480%0.80483%0.826SS**  trans-111.9154.914700000108.8
81E21.8Very low23.8Very low177 Ų177151.3 Ų151.383%0.82783%0.827SS**  trans-119.3148.3-175-61.2178.3132.700111
82E23.1Very low23.7Very low187 Ų187147.8 Ų147.887%0.87482%0.822SS**  trans174.1120.8149.5-97163.8-159.500105.4
83E21.4Very low23.8Very low182 Ų182146.2 Ų146.285%0.8583%0.826SS**  58.6129.767.8-76.7-147170.900113.4
84T23.2Very low23.8Very low128 Ų128146.4 Ų146.479%0.78583%0.83SS**  cis-147.8174.9546.80000110.5
85G22.5Very low23.9Very low78 Ų78146.5 Ų146.580%0.80483%0.825SS**  trans151.785.8159.300000117.1
86M21.4Very low23.8Very low184 Ų184143.9 Ų143.991%0.90682%0.822SS**  trans-101.4131.6172.6-84.6-79.6-161.500112
87T23.6Very low23.9Very low147 Ų147143.8 Ų143.890%0.90282%0.821SS**  trans-151.3132.5151.6-17.40000111.8
88E22.6Very low24Very low177 Ų177143.9 Ų143.983%0.82782%0.819SS**  trans-84.4166.1172.1-58.8175.3104.600112.2
89V23.3Very low24.1Very low137 Ų137145.3 Ų145.383%0.8382%0.816SS**  173.1143123.9151.50000111.3
90L21.6Very low24.2Very low160 Ų160145.6 Ų145.684%0.83882%0.818SS**  trans-126.3-174.3172.5-67.1169.3000109.4
91P36.9Very low24.1Very low115 Ų115148 Ų14875%0.74782%0.822SS**  -127-177.9-80.239.2-23000113.9
92S22.1Very low24.1Very low105 Ų105143 Ų14373%0.73482%0.818SS**  trans-152.4135.3164.2-78.10000108.8
93T23.8Very low24.2Very low129 Ų129143.8 Ų143.879%0.79182%0.822SS**  59.3141.762.974.30000114.5
94S25.5Very low24.3Very low116 Ų116144.1 Ų144.181%0.81182%0.823SS**  cis-170.4-177.8-23.7650000107.9
95D25.6Very low24.3Very low136 Ų136146.6 Ų146.673%0.72783%0.831SS**  cis-159.3173.4-1.9-169.317.5000110.5
96T24.9Very low24.3Very low125 Ų125146.7 Ų146.777%0.76783%0.832SS**  trans80.9138.9155.469.80000123.2
97G24.5Very low24.4Very low74 Ų74143.6 Ų143.676%0.76383%0.829SS**  trans-179.8133.6160.700000112.1
98K26.4Very low24.4Very low193 Ų193146.7 Ų146.784%0.83983%0.83SS**  trans-134.6131-166.9-87.2173.1179.2161.10116.8
99R25.8Very low24.5Very low226 Ų226142 Ų14285%0.85383%0.829SS**  trans58121.7141.4-64.5177.7169.3178.9-4.6121.7
100K25.2Very low24.4Very low204 Ų204144.4 Ų144.489%0.88783%0.831SS**  172.6127.8109.9-91.1170.2-178.3-179.20108.2
101S22.1Very low24.6Very low127 Ų127142.6 Ų142.689%0.88883%0.829SS**  87.1107.950.1-177.50000113.5
102G21.9Very low24Very low74 Ų74142 Ų14276%0.76383%0.833SS**  trans-164.536.4-171.900000119.2
103Q23.9Very low24Very low203 Ų203141.7 Ų141.795%0.94984%0.838SS**  trans63.1162164.1-73.7175.9-39.600120.2
104Q23.1Very low24.3Very low188 Ų188145.1 Ų145.188%0.87984%0.841SS**  trans-117.3163.2-169.9-57.8163.4-75.600111.7
105L24.1Very low24.4Very low180 Ų180151 Ų15194%0.94285%0.846SS**  trans-148.4127.7147.8-15275.7000113.5
106G23.3Very low24.5Very low81 Ų81154.8 Ų154.884%0.83586%0.856SS**  trans55.795.3150.700000120.2
107S22.2Very low24.7Very low119 Ų119153.2 Ų153.283%0.83285%0.849SS**  trans-92.5154.3169.358.40000113.7
108K23.7Very low25.1Very low211 Ų211157.3 Ų157.392%0.91785%0.848SS**  trans-143.9120152.6-84.6-165.1175.2-178.30111.2
109G24.1Very low25.9Very low79 Ų79151.9 Ų151.981%0.81483%0.831SS**  trans67.678.1156.300000118
110Q23.1Very low26.7Very low188 Ų188145.9 Ų145.988%0.87982%0.816SS**  trans-107.5141.7150.5-77.3-176.3-33.800109.1
111P25.1Very low27.9Very low122 Ų122139.3 Ų139.379%0.79280%0.796SS**  trans-66.3162.3166.830.5-34.3000110.6A113P111-A113 PolarHBondContact O-N 3.31Å
112A23.9Very low29.7Very low101 Ų101135 Ų13584%0.83577%0.765SS**  trans-56.1129.5-172.600000112.6K114A112-K114 PolarHBondContact O-N 3.31Å; A112-K114 VanDerWaalsContact O-N 3.11Å
113A23Very low31.7Very low100 Ų100133.8 Ų133.883%0.82674%0.743SS**  trans-68.5109178.800000110.6P111 R115P111-A113 PolarHBondContact O-N 3.31Å; A113-R115 PolarHBondContact O-N 3.18Å
114K29.1Very low33.8Very low200 Ų200129.4 Ų129.487%0.8772%0.723SS**  trans-53.4135.1155.1-76.4-167.6172.2-166.40107.7A112 K116A112-K114 PolarHBondContact O-N 3.31Å; A112-K114 VanDerWaalsContact O-N 3.11Å; K114-K116 PolarHBondContact O-N 2.89Å
115R28Very low36.4Very low240 Ų240124 Ų12491%0.90670%0.703SS**  trans-59.2136.4172.2-73.4177.3172168.1-3.6108.4A113 C117A113-R115 PolarHBondContact O-N 3.18Å; R115-C117 VanDerWaalsContact C-N 3.35Å; R115-C117 PolarHBondContact O-N 2.77Å
116K28.3Very low39.1Very low216 Ų216116 Ų11694%0.93966%0.661SS**  trans-6898.9161.3-76.7-167.3170.1-164.50107.5K114K114-K116 PolarHBondContact O-N 2.89Å
117C29.2Very low41.8Very low91 Ų91114.7 Ų114.762%0.61564%0.642SS**  trans-81158162.4-152.80000108.9R115 T119R115-C117 VanDerWaalsContact C-N 3.35Å; R115-C117 PolarHBondContact O-N 2.77Å; C117-T119 VanDerWaalsContact C-N 3.32Å; C117-T119 PolarHBondContact O-N 3.17Å
118E31.5Very low44.7Very low161 Ų161114.8 Ų114.875%0.75263%0.627SS**  trans-83.479.5179.3-65.5-179.8153.900109N120 S121E118-N120 PolarHBondContact O-N 2.97Å; E118-S121 PolarHBondContact O-N 2.93Å; E118-S121 PolarHBondContact O-OG 3.48Å
119T43.7Very low47.7Very low78 Ų78105.8 Ų105.848%0.47959%0.589SS.*Hα-helixtrans-55.2-19.2-159.640.60000117.1C117 S122 T123C117-T119 VanDerWaalsContact C-N 3.32Å; C117-T119 PolarHBondContact O-N 3.17Å; T119-S122 PolarHBondContact O-OG 2.89Å; T119-S122 VanDerWaalsContact O-OG 3.11Å; T119-T123 PolarHBondContact O-N 3.05Å; T119-T123 PolarHBondContact O-OG1 2.73Å
120N43.4Very low50.7Low101 Ų101103.5 Ų103.554%0.5456%0.558SS.*Hα-helixtrans-74.7-36177.3-67.47.6000112.4E118 T123 E124 Q503E118-N120 PolarHBondContact O-N 2.97Å; N120-T123 PolarHBondContact O-OG1 2.82Å; N120-T123 VanDerWaalsContact O-OG1 3.13Å; N120-E124 PolarHBondContact O-N 2.73Å; N120-Q503 PolarHBondContact OD1-NE2 2.92Å
121S49.9Very low53.8Low65 Ų6598.1 Ų98.146%0.45554%0.535SS..Hα-helixtrans-77.3-30.9-177.363.80000112.4E118 T125E118-S121 PolarHBondContact O-N 2.93Å; E118-S121 PolarHBondContact O-OG 3.48Å; S121-T125 WeakPolarHBondContact O-CB 3.39Å; S121-T125 PolarHBondContact O-N 3.04Å; S121-T125 PolarHBondContact O-OG1 3.18Å
122S60Low56.9Low36 Ų3694.2 Ų94.225%0.25251%0.509SS..Hα-helixtrans-67.2-49.3172.755.60000111.6T119 E124 T125 E126T119-S122 PolarHBondContact O-OG 2.89Å; T119-S122 VanDerWaalsContact O-OG 3.11Å; S122-E124 VanDerWaalsContact C-N 3.35Å; S122-E124 PolarHBondContact O-N 3.31Å; S122-T125 WeakPolarHBondContact O-CA 3.4Å; S122-T125 WeakPolarHBondContact O-CB 3.42Å; S122-T125 PolarHBondContact O-N 3.19Å; S122-E126 WeakPolarHBondContact O-CG 3.26Å; S122-E126 PolarHBondContact O-N 2.96Å
123T63.5Low60.2Low49 Ų4989.4 Ų89.430%0.30147%0.469SS..Hα-helixtrans-63.5-37.5-179.545.60000113.1T119 N120 T125 A127T119-T123 PolarHBondContact O-N 3.05Å; T119-T123 PolarHBondContact O-OG1 2.73Å; N120-T123 PolarHBondContact O-OG1 2.82Å; N120-T123 VanDerWaalsContact O-OG1 3.13Å; T123-T125 VanDerWaalsContact C-N 3.31Å; T123-T125 PolarHBondContact O-N 3.05Å; T123-A127 WeakPolarHBondContact O-CB 3.34Å; T123-A127 PolarHBondContact O-N 3.45Å
124E67.4Low63.4Low111 Ų11188.8 Ų88.852%0.51945%0.446SS..Hα-helixtrans-62.5-38171.3-91.8-165.6-127.900112.8N120 S122 K128N120-E124 PolarHBondContact O-N 2.73Å; S122-E124 VanDerWaalsContact C-N 3.35Å; S122-E124 PolarHBondContact O-N 3.31Å; E124-K128 VanDerWaalsContact O-CD 3.22Å; E124-K128 WeakPolarHBondContact O-CD 3.29Å; E124-K128 WeakPolarHBondContact O-CE 3.43Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 3.39Å; E124-K128 IonicContact OE2-NZ 2.75Å; E124-K128 PolarHBondContact OE2-NZ 2.91Å
125T77.2Confident66.4Low74 Ų7483.6 Ų83.645%0.45443%0.427SS..Hα-helixtrans-69.7-47.6179.9-58.40000110.2S121 S122 T123 A127 K128 M129S121-T125 WeakPolarHBondContact O-CB 3.39Å; S121-T125 PolarHBondContact O-N 3.04Å; S121-T125 PolarHBondContact O-OG1 3.18Å; S122-T125 WeakPolarHBondContact O-CA 3.4Å; S122-T125 WeakPolarHBondContact O-CB 3.42Å; S122-T125 PolarHBondContact O-N 3.19Å; T123-T125 VanDerWaalsContact C-N 3.31Å; T123-T125 PolarHBondContact O-N 3.05Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 2.69Å; T125-K128 WeakPolarHBondContact O-CB 3.19Å; T125-K128 PolarHBondContact O-N 2.93Å; T125-K128 VanDerWaalsContact O-N 3.09Å; T125-M129 HydrophobicContact CG2-SD 4.16Å; T125-M129 VanDerWaalsContact O-CG 3.29Å; T125-M129 WeakPolarHBondContact O-CG 3.43Å; T125-M129 PolarHBondContact O-N 3.29Å
126E82.3Confident69.4Low13 Ų1372.4 Ų72.46%0.06139%0.386CS..Hα-helixtrans-58.7-40.9175.1-69-175.2-170.100112.4S122 K128 M129 L130 H509 L808S122-E126 WeakPolarHBondContact O-CG 3.26Å; S122-E126 PolarHBondContact O-N 2.96Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.7Å; E126-M129 PolarHBondContact O-N 3.12Å; E126-L130 WeakPolarHBondContact O-CB 3.22Å; E126-L130 PolarHBondContact O-N 3.27Å; E126-H509 IonicContact OE1-CE1 2.67Å; E126-H509 IonicContact OE1-CG 2.73Å; E126-H509 IonicContact OE1-ND1 3.2Å; E126-H509 PolarHBondContact OE1-ND1 2.72Å; E126-H509 VanDerWaalsContact OE2-CA 3.24Å; E126-H509 WeakPolarHBondContact OE2-CA 3.25Å; E126-H509 WeakPolarHBondContact OE2-CB 3.43Å; E126-H509 IonicContact OE2-CG 3.55Å; E126-H509 IonicContact OE2-ND1 2.75Å; E126-L808 HydrophobicContact CG-CD2 3.82Å
127A78.9Confident72.5Confident54 Ų5462.1 Ų62.145%0.44634%0.341SS..Hα-helixtrans-61.5-39.8174.900000112.4T123 T125 N131T123-A127 WeakPolarHBondContact O-CB 3.34Å; T123-A127 PolarHBondContact O-N 3.45Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 2.69Å; A127-N131 WeakPolarHBondContact O-CB 3.42Å; A127-N131 PolarHBondContact O-N 3.09Å
128K84.4Confident75.5Confident121 Ų12159.7 Ų59.753%0.52633%0.332SS..Hα-helixtrans-68.7-37.1175.7-67.7158.7-163.7166.70111.5E124 T125 E126 T132E124-K128 VanDerWaalsContact O-CD 3.22Å; E124-K128 WeakPolarHBondContact O-CD 3.29Å; E124-K128 WeakPolarHBondContact O-CE 3.43Å; E124-K128 WeakPolarHBondContact O-CG 3.32Å; E124-K128 PolarHBondContact O-N 3.39Å; E124-K128 IonicContact OE2-NZ 2.75Å; E124-K128 PolarHBondContact OE2-NZ 2.91Å; T125-K128 WeakPolarHBondContact O-CB 3.19Å; T125-K128 PolarHBondContact O-N 2.93Å; T125-K128 VanDerWaalsContact O-N 3.09Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 2.7Å; K128-T132 WeakPolarHBondContact O-CB 3.35Å; K128-T132 PolarHBondContact O-N 3.18Å; K128-T132 PolarHBondContact O-OG1 3.05Å
129M86.8Confident78.3Confident21 Ų2156.7 Ų56.710%0.10332%0.321CS..Hα-helixtrans-65.7-49.9173.2-63170.786.800111.2T125 E126 N131 T132 V133 L804 E807 L808T125-M129 HydrophobicContact CG2-SD 4.16Å; T125-M129 VanDerWaalsContact O-CG 3.29Å; T125-M129 WeakPolarHBondContact O-CG 3.43Å; T125-M129 PolarHBondContact O-N 3.29Å; E126-M129 PolarHBondContact O-N 3.12Å; M129-N131 VanDerWaalsContact C-N 3.33Å; M129-N131 PolarHBondContact O-N 2.87Å; M129-T132 WeakPolarHBondContact O-CB 3.5Å; M129-T132 PolarHBondContact O-N 2.77Å; M129-T132 VanDerWaalsContact O-N 3.13Å; M129-V133 PolarHBondContact O-N 3.23Å; M129-L804 HydrophobicContact CB-CD2 4.33Å; M129-L804 HydrophobicContact CE-CB 4.13Å; M129-L804 HydrophobicContact CE-CD2 3.67Å; M129-L804 VanDerWaalsContact CE-O 3.31Å; M129-L804 WeakPolarHBondContact CE-O 3.05Å; M129-L804 HydrophobicContact CG-CD2 3.98Å; M129-E807 HydrophobicContact CE-CB 3.68Å; M129-L808 HydrophobicContact CE-CD2 4.3Å; M129-L808 HydrophobicContact CE-CG 3.82Å; M129-L808 HydrophobicContact SD-CD2 4.07Å; M129-L808 HydrophobicContact SD-CG 4.25Å
130L86.4Confident80.5Confident31 Ų3153 Ų5316%0.16230%0.298CS..Hα-helixtrans-57.4-45.3177.6-179.960.2000111.5E126 T132 V133 R134 T512 Y515E126-L130 WeakPolarHBondContact O-CB 3.22Å; E126-L130 PolarHBondContact O-N 3.27Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 3.17Å; L130-V133 PolarHBondContact O-N 3.3Å; L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 PolarHBondContact O-N 3.14Å; L130-T512 HydrophobicContact CB-CG2 4.06Å; L130-T512 HydrophobicContact CD1-CG2 4.45Å; L130-Y515 HydrophobicContact CD1-CD1 3.47Å; L130-Y515 VanDerWaalsContact CD1-CD1 3.47Å; L130-Y515 HydrophobicContact CD1-CD2 4.46Å; L130-Y515 HydrophobicContact CD1-CE1 4.16Å; L130-Y515 HydrophobicContact CD1-CG 3.66Å
131N87.5Confident82.7Confident75 Ų7551.8 Ų51.840%0.40129%0.286SS..Hα-helixtrans-67.8-33.7178.6-155.255.8000112.6A127 M129 R134 N135A127-N131 WeakPolarHBondContact O-CB 3.42Å; A127-N131 PolarHBondContact O-N 3.09Å; M129-N131 VanDerWaalsContact C-N 3.33Å; M129-N131 PolarHBondContact O-N 2.87Å; N131-R134 PolarHBondContact O-N 3.13Å; N131-R134 PolarHBondContact OD1-NH1 3.09Å; N131-N135 VanDerWaalsContact O-CG 3.26Å; N131-N135 PolarHBondContact O-N 3.08Å; N131-N135 PolarHBondContact O-OD1 2.94Å
132T90.9Very high84.6Confident41 Ų4152.3 Ų52.325%0.25230%0.295SS..Hα-helixtrans-61.4-43.8172.5-62.50000111.6K128 M129 L130 T136 R800 L804K128-T132 WeakPolarHBondContact O-CB 3.35Å; K128-T132 PolarHBondContact O-N 3.18Å; K128-T132 PolarHBondContact O-OG1 3.05Å; M129-T132 WeakPolarHBondContact O-CB 3.5Å; M129-T132 PolarHBondContact O-N 2.77Å; M129-T132 VanDerWaalsContact O-N 3.13Å; L130-T132 VanDerWaalsContact C-N 3.33Å; L130-T132 PolarHBondContact O-N 3.17Å; T132-T136 PolarHBondContact O-N 3.21Å; T132-T136 VanDerWaalsContact O-N 3.13Å; T132-T136 PolarHBondContact O-OG1 3.42Å; T132-R800 VanDerWaalsContact CG2-NH2 3.33Å; T132-L804 HydrophobicContact CG2-CD1 4.03Å
133V92.3Very high85.9Confident0 Ų055.2 Ų55.20%031%0.305CS..Hα-helixtrans-72.5-38177.5-175.10000111.3M129 L130 N135 T136 M137 Y515 V516 A519 V801 L804M129-V133 PolarHBondContact O-N 3.23Å; L130-V133 PolarHBondContact O-N 3.3Å; V133-N135 PolarHBondContact O-N 2.94Å; V133-T136 WeakPolarHBondContact O-CB 3.43Å; V133-T136 PolarHBondContact O-N 3.38Å; V133-M137 HydrophobicContact CG1-CG 4.23Å; V133-M137 WeakPolarHBondContact O-CG 3.36Å; V133-M137 PolarHBondContact O-N 3.44Å; V133-Y515 HydrophobicContact CB-CE1 4.29Å; V133-Y515 HydrophobicContact CG1-CD1 4.23Å; V133-Y515 HydrophobicContact CG1-CE1 3.94Å; V133-V516 HydrophobicContact CB-CG2 4.23Å; V133-V516 HydrophobicContact CG1-CG2 4.39Å; V133-V516 HydrophobicContact CG2-CG1 4.41Å; V133-V516 HydrophobicContact CG2-CG2 3.92Å; V133-A519 HydrophobicContact CG1-CB 3.55Å; V133-V801 HydrophobicContact CG1-CG1 4.22Å; V133-V801 HydrophobicContact CG1-CG2 4Å; V133-V801 HydrophobicContact CG2-CG2 4.16Å; V133-L804 HydrophobicContact CG2-CD1 3.67Å
134R91.1Very high86.9Confident86 Ų8653 Ų5333%0.32529%0.292SS..Hα-helixtrans-56.1-49.8173.2-179.3-176.5-71.2103.34.1111.7L130 N131 T136 M137 G138 E162 Y515L130-R134 WeakPolarHBondContact O-CB 3.31Å; L130-R134 PolarHBondContact O-N 3.14Å; N131-R134 PolarHBondContact O-N 3.13Å; N131-R134 PolarHBondContact OD1-NH1 3.09Å; R134-T136 VanDerWaalsContact C-N 3.35Å; R134-T136 PolarHBondContact O-N 2.89Å; R134-M137 PolarHBondContact O-N 2.95Å; R134-G138 PolarHBondContact O-N 3.13Å; R134-E162 IonicContact CZ-OE1 2.64Å; R134-E162 IonicContact NE-OE1 3.38Å; R134-E162 PolarHBondContact NE-OE1 3.39Å; R134-E162 IonicContact NH2-OE1 2.74Å; R134-E162 PolarHBondContact NH2-OE1 2.83Å; R134-Y515 WeakPolarHBondContact CA-OH 2.96Å
135N91.3Very high87.5Confident91 Ų9153 Ų5349%0.48729%0.291SS..Hα-helixtrans-59.3-47.8177.4-68.11000110.7N131 V133 M137 G138 D139N131-N135 VanDerWaalsContact O-CG 3.26Å; N131-N135 PolarHBondContact O-N 3.08Å; N131-N135 PolarHBondContact O-OD1 2.94Å; V133-N135 PolarHBondContact O-N 2.94Å; N135-M137 VanDerWaalsContact C-N 3.31Å; N135-M137 PolarHBondContact O-N 3.02Å; N135-G138 WeakPolarHBondContact O-CA 3.37Å; N135-G138 PolarHBondContact O-N 3.31Å; N135-D139 PolarHBondContact O-N 2.78Å
136T92.5Very high87.4Confident6 Ų654.4 Ų54.44%0.03730%0.297CS..Hα-helixtrans-57.1-41.8177.9-52.80000112.2T132 V133 R134 I140 Q797 V801T132-T136 PolarHBondContact O-N 3.21Å; T132-T136 VanDerWaalsContact O-N 3.13Å; T132-T136 PolarHBondContact O-OG1 3.42Å; V133-T136 WeakPolarHBondContact O-CB 3.43Å; V133-T136 PolarHBondContact O-N 3.38Å; R134-T136 VanDerWaalsContact C-N 3.35Å; R134-T136 PolarHBondContact O-N 2.89Å; T136-I140 HydrophobicContact CG2-CD1 4.26Å; T136-I140 WeakPolarHBondContact O-CD1 3.36Å; T136-I140 VanDerWaalsContact O-CG1 3.29Å; T136-I140 WeakPolarHBondContact O-CG1 3.14Å; T136-I140 PolarHBondContact O-N 3.5Å; T136-Q797 HydrophobicContact CG2-CB 3.81Å; T136-Q797 HydrophobicContact CG2-CG 3.79Å; T136-V801 HydrophobicContact CG2-CG2 4.44Å
137M93.1Very high87Confident0 Ų058.7 Ų58.70%032%0.32CS..Hα-helixtrans-74.4-28176.7-63.7-48.9-59.200113.1V133 R134 N135 I140 Y141 I158 L161 A519 I522 L523V133-M137 HydrophobicContact CG1-CG 4.23Å; V133-M137 WeakPolarHBondContact O-CG 3.36Å; V133-M137 PolarHBondContact O-N 3.44Å; R134-M137 PolarHBondContact O-N 2.95Å; N135-M137 VanDerWaalsContact C-N 3.31Å; N135-M137 PolarHBondContact O-N 3.02Å; M137-I140 HydrophobicContact CE-CD1 4.43Å; M137-I140 HydrophobicContact SD-CD1 4.06Å; M137-Y141 WeakPolarHBondContact O-CB 3.4Å; M137-Y141 PolarHBondContact O-N 2.86Å; M137-I158 HydrophobicContact CB-CG2 4.28Å; M137-I158 HydrophobicContact CE-CD1 3.97Å; M137-I158 HydrophobicContact CE-CG1 3.72Å; M137-L161 HydrophobicContact CE-CD1 4.29Å; M137-L161 HydrophobicContact CG-CD1 4.08Å; M137-A519 HydrophobicContact CG-CB 3.77Å; M137-A519 HydrophobicContact SD-CB 3.69Å; M137-I522 HydrophobicContact CE-CB 4.22Å; M137-I522 HydrophobicContact CE-CG2 3.91Å; M137-L523 HydrophobicContact SD-CD1 4.18Å; M137-L523 HydrophobicContact SD-CG 4.29Å
138G91.4Very high87Confident40 Ų4057.2 Ų57.241%0.41231%0.306SS..Hα-helixtrans-67.4-43.5171.600000112.6R134 N135 I140 Y141 A142R134-G138 PolarHBondContact O-N 3.13Å; N135-G138 WeakPolarHBondContact O-CA 3.37Å; N135-G138 PolarHBondContact O-N 3.31Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.02Å; G138-Y141 WeakPolarHBondContact O-CB 3.42Å; G138-Y141 PolarHBondContact O-N 3.45Å; G138-A142 PolarHBondContact O-N 3.13Å
139D90.6Very high86.7Confident98 Ų9856.7 Ų56.752%0.52431%0.309SS..Hα-helixtrans-58.4-46.7173.7-63-34.8000110.5N135 A142 M143N135-D139 PolarHBondContact O-N 2.78Å; D139-A142 PolarHBondContact O-N 3.43Å; D139-M143 HydrophobicContact CB-CE 4.48Å; D139-M143 WeakPolarHBondContact O-CG 3.45Å; D139-M143 PolarHBondContact O-N 3.04Å; D139-M143 VanDerWaalsContact O-N 3.08Å
140I90Very high86.4Confident1 Ų156.4 Ų56.41%0.00531%0.308CS..Hα-helixtrans-64.4-42177.3-66.7162.1000111.5T136 M137 G138 A142 M143 L144 I158 L523 I526 V794 Q797T136-I140 HydrophobicContact CG2-CD1 4.26Å; T136-I140 WeakPolarHBondContact O-CD1 3.36Å; T136-I140 VanDerWaalsContact O-CG1 3.29Å; T136-I140 WeakPolarHBondContact O-CG1 3.14Å; T136-I140 PolarHBondContact O-N 3.5Å; M137-I140 HydrophobicContact CE-CD1 4.43Å; M137-I140 HydrophobicContact SD-CD1 4.06Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.02Å; I140-A142 PolarHBondContact O-N 2.95Å; I140-M143 PolarHBondContact O-N 3.45Å; I140-M143 VanDerWaalsContact O-N 3.13Å; I140-L144 HydrophobicContact CG2-CD1 4.37Å; I140-L144 WeakPolarHBondContact O-CG 3.46Å; I140-L144 PolarHBondContact O-N 2.88Å; I140-L144 VanDerWaalsContact O-N 3.14Å; I140-I158 HydrophobicContact CG2-CD1 4.18Å; I140-L523 HydrophobicContact CD1-CD2 3.48Å; I140-L523 VanDerWaalsContact CD1-CD2 3.48Å; I140-L523 HydrophobicContact CD1-CG 4.37Å; I140-I526 HydrophobicContact CG2-CD1 4.08Å; I140-V794 HydrophobicContact CD1-CG1 4.32Å; I140-V794 HydrophobicContact CG1-CG1 4.31Å; I140-Q797 HydrophobicContact CD1-CB 4.37Å; I140-Q797 HydrophobicContact CD1-CG 4.42Å
141Y90.1Very high86.2Confident75 Ų7555.1 Ų55.129%0.29430%0.301SS..Hα-helixtrans-58-36.5175.6-179-80.2000112M137 G138 K155 I158 K159M137-Y141 WeakPolarHBondContact O-CB 3.4Å; M137-Y141 PolarHBondContact O-N 2.86Å; G138-Y141 WeakPolarHBondContact O-CB 3.42Å; G138-Y141 PolarHBondContact O-N 3.45Å; Y141-K155 HydrophobicContact CD2-CB 4.06Å; Y141-K155 HydrophobicContact CD2-CG 3.8Å; Y141-K155 HydrophobicContact CE2-CB 3.61Å; Y141-K155 HydrophobicContact CE2-CD 4.18Å; Y141-K155 HydrophobicContact CE2-CG 3.6Å; Y141-K155 HydrophobicContact CG-CG 4.46Å; Y141-K155 WeakPolarHBondContact O-CE 3.38Å; Y141-I158 HydrophobicContact CD2-CB 4.33Å; Y141-I158 HydrophobicContact CD2-CG2 4.14Å; Y141-K159 HydrophobicContact CE2-CD 4.33Å; Y141-K159 HydrophobicContact CE2-CG 4.12Å; Y141-K159 WeakPolarHBondContact OH-CE 3.4Å; Y141-K159 PolarHBondContact OH-NZ 3.2Å
142A89.2Confident86.1Confident76 Ų7655.2 Ų55.263%0.62830%0.298SS*.Hα-helixtrans-77-25.4177.200000113.9G138 D139 I140G138-A142 PolarHBondContact O-N 3.13Å; D139-A142 PolarHBondContact O-N 3.43Å; I140-A142 PolarHBondContact O-N 2.95Å
143M87.3Confident85.8Confident96 Ų9655.7 Ų55.747%0.47330%0.298SS..Hα-helixtrans-74.6-37.7174.9-69.2172.4-170.700112.5D139 I140 Q145D139-M143 HydrophobicContact CB-CE 4.48Å; D139-M143 WeakPolarHBondContact O-CG 3.45Å; D139-M143 PolarHBondContact O-N 3.04Å; D139-M143 VanDerWaalsContact O-N 3.08Å; I140-M143 PolarHBondContact O-N 3.45Å; I140-M143 VanDerWaalsContact O-N 3.13Å; M143-Q145 PolarHBondContact O-N 3.31Å; M143-Q145 PolarHBondContact O-NE2 3.37Å
144L85Confident85.5Confident4 Ų455.7 Ų55.72%0.02130%0.299CS..SBendtrans-62.5129.4177.8-67.5169.1000110.8I140 N151 L154 K155 I158 L791I140-L144 HydrophobicContact CG2-CD1 4.37Å; I140-L144 WeakPolarHBondContact O-CG 3.46Å; I140-L144 PolarHBondContact O-N 2.88Å; I140-L144 VanDerWaalsContact O-N 3.14Å; L144-N151 HydrophobicContact CD2-CB 4.46Å; L144-N151 WeakPolarHBondContact CD2-OD1 3.38Å; L144-L154 HydrophobicContact CD1-CB 3.76Å; L144-L154 HydrophobicContact CD2-CD1 3.97Å; L144-K155 HydrophobicContact CB-CD 4.47Å; L144-K155 HydrophobicContact CB-CG 4.2Å; L144-K155 HydrophobicContact CD1-CG 4.11Å; L144-K155 WeakPolarHBondContact O-CE 3.44Å; L144-K155 PolarHBondContact O-NZ 3.33Å; L144-I158 HydrophobicContact CD1-CD1 3.94Å; L144-L791 HydrophobicContact CD2-CD2 4.18Å
145Q79.2Confident85.4Confident109 Ų10952.2 Ų52.251%0.50929%0.286SS..  trans-85.5174.3173.9-59.4-50.7-61.400110.8M143 D147 N151 K155M143-Q145 PolarHBondContact O-N 3.31Å; M143-Q145 PolarHBondContact O-NE2 3.37Å; Q145-D147 WeakPolarHBondContact CB-OD1 3.42Å; Q145-N151 WeakPolarHBondContact O-CB 3.4Å; Q145-K155 VanDerWaalsContact C-NZ 3.28Å; Q145-K155 PolarHBondContact O-NZ 2.99Å; Q145-K155 VanDerWaalsContact O-NZ 3.08Å
146D75.8Confident85.2Confident105 Ų10551.4 Ų51.456%0.56128%0.284SS*.SBendtrans-106.523.4176.3-70.3-56.4000112.2K152 K155D146-K152 WeakPolarHBondContact O-CE 3.3Å; D146-K155 VanDerWaalsContact OD1-CD 3.25Å; D146-K155 WeakPolarHBondContact OD1-CD 3.47Å; D146-K155 IonicContact OD1-NZ 3.94Å; D146-K155 PolarHBondContact OD1-NZ 3.35Å; D146-K155 IonicContact OD2-NZ 3.68Å; D146-K155 PolarHBondContact OD2-NZ 3.21Å
147D74.2Confident84.9Confident102 Ų10251.6 Ų51.655%0.54529%0.285SS..SBendtrans-75.6-57.2179.546.58.5000112.4Q145 N151 K152Q145-D147 WeakPolarHBondContact CB-OD1 3.42Å; D147-N151 PolarHBondContact OD1-ND2 2.78Å; D147-K152 PolarHBondContact O-NZ 3.44Å
148S77.7Confident84.7Confident23 Ų2352.2 Ų52.216%0.16129%0.288CS..SBendtrans-92.6151.1-177.698.40000113L150 N151 K152 D788S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 2.99Å; S148-L150 PolarHBondContact OG-N 3.41Å; S148-N151 PolarHBondContact O-N 3.43Å; S148-N151 PolarHBondContact OG-N 3.49Å; S148-N151 PolarHBondContact OG-ND2 3.21Å; S148-K152 WeakPolarHBondContact O-CE 3.42Å; S148-K152 WeakPolarHBondContact O-CG 3.47Å; S148-K152 PolarHBondContact O-N 3.05Å; S148-D788 WeakPolarHBondContact CB-OD2 3.3Å; S148-D788 PolarHBondContact OG-OD2 3.04Å
149D78.7Confident84.5Confident110 Ų11056.5 Ų56.559%0.58830%0.295SS*.Hα-helixtrans-69.2-27.5177.5-65.5-31.3000112K152 I153D149-K152 PolarHBondContact O-N 3.38Å; D149-K152 IonicContact OD1-NZ 2.8Å; D149-K152 PolarHBondContact OD1-NZ 2.73Å; D149-I153 WeakPolarHBondContact O-CD1 3.42Å; D149-I153 VanDerWaalsContact O-CG1 3.25Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 2.98Å
150L79.3Confident84.2Confident15 Ų1556.6 Ų56.68%0.07930%0.296CS..Hα-helixtrans-60.7-47.1169.9176.763.5000111.1S148 K152 I153 L154 L782 T786 D788 L791S148-L150 VanDerWaalsContact C-N 3.26Å; S148-L150 PolarHBondContact O-N 2.99Å; S148-L150 PolarHBondContact OG-N 3.41Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.09Å; L150-I153 PolarHBondContact O-N 3.46Å; L150-L154 HydrophobicContact CD1-CD1 4.18Å; L150-L154 HydrophobicContact CD1-CG 4.15Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 HydrophobicContact CG-CG 4.34Å; L150-L154 WeakPolarHBondContact O-CB 3.44Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 2.9Å; L150-L782 HydrophobicContact CD1-CD2 3.81Å; L150-T786 HydrophobicContact CB-CG2 4.38Å; L150-T786 HydrophobicContact CD1-CG2 4.18Å; L150-T786 HydrophobicContact CD2-CG2 3.65Å; L150-T786 HydrophobicContact CG-CG2 4.28Å; L150-D788 HydrophobicContact CD2-CB 3.76Å; L150-L791 HydrophobicContact CD2-CD1 3.8Å; L150-L791 HydrophobicContact CD2-CD2 4.06Å; L150-L791 HydrophobicContact CD2-CG 4.13Å
151N83Confident83.8Confident4 Ų456.9 Ų56.92%0.02130%0.297CS..Hα-helixtrans-63.4-38.2-179.7-67.2-25.7000111.8L144 Q145 D147 S148 L154 K155L144-N151 HydrophobicContact CD2-CB 4.46Å; L144-N151 WeakPolarHBondContact CD2-OD1 3.38Å; Q145-N151 WeakPolarHBondContact O-CB 3.4Å; D147-N151 PolarHBondContact OD1-ND2 2.78Å; S148-N151 PolarHBondContact O-N 3.43Å; S148-N151 PolarHBondContact OG-N 3.49Å; S148-N151 PolarHBondContact OG-ND2 3.21Å; N151-L154 PolarHBondContact O-N 3.41Å; N151-K155 WeakPolarHBondContact O-CB 3.25Å; N151-K155 WeakPolarHBondContact O-CG 3.37Å; N151-K155 PolarHBondContact O-N 3.01Å
152K85.1Confident83.1Confident77 Ų7758.6 Ų58.634%0.33531%0.308SS..Hα-helixtrans-63.9-42.6173.9-63.1163.9-150.3157.80112D146 D147 S148 D149 L150 T156D146-K152 WeakPolarHBondContact O-CE 3.3Å; D147-K152 PolarHBondContact O-NZ 3.44Å; S148-K152 WeakPolarHBondContact O-CE 3.42Å; S148-K152 WeakPolarHBondContact O-CG 3.47Å; S148-K152 PolarHBondContact O-N 3.05Å; D149-K152 PolarHBondContact O-N 3.38Å; D149-K152 IonicContact OD1-NZ 2.8Å; D149-K152 PolarHBondContact OD1-NZ 2.73Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.09Å; K152-T156 WeakPolarHBondContact O-CB 3.36Å; K152-T156 PolarHBondContact O-N 2.9Å; K152-T156 PolarHBondContact O-OG1 2.71Å
153I84.3Confident82Confident51 Ų5158.2 Ų58.226%0.26230%0.298SS..Hα-helixtrans-65.6-45.2175.2-68.2164.1000110.6D149 L150 K155 T156 K157 L782D149-I153 WeakPolarHBondContact O-CD1 3.42Å; D149-I153 VanDerWaalsContact O-CG1 3.25Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 2.98Å; L150-I153 PolarHBondContact O-N 3.46Å; I153-K155 PolarHBondContact O-N 3.34Å; I153-T156 CarbonylContact O-C 3.56Å; I153-T156 WeakPolarHBondContact O-CA 3.48Å; I153-T156 WeakPolarHBondContact O-CB 3.41Å; I153-T156 PolarHBondContact O-N 3.18Å; I153-T156 VanDerWaalsContact O-N 3.13Å; I153-K157 HydrophobicContact CG2-CD 4.41Å; I153-K157 HydrophobicContact CG2-CG 4.28Å; I153-K157 WeakPolarHBondContact O-CG 3.36Å; I153-K157 PolarHBondContact O-N 3.08Å; I153-L782 HydrophobicContact CD1-CD2 4.12Å; I153-L782 HydrophobicContact CG2-CD1 3.74Å; I153-L782 HydrophobicContact CG2-CD2 4.5Å
154L86.5Confident80.9Confident1 Ų161.5 Ų61.51%0.00531%0.312CS..Hα-helixtrans-59-48.8176.7-72.7170.6000111.5L144 L150 N151 T156 K157 I158 I522 L525 I526 L791L144-L154 HydrophobicContact CD1-CB 3.76Å; L144-L154 HydrophobicContact CD2-CD1 3.97Å; L150-L154 HydrophobicContact CD1-CD1 4.18Å; L150-L154 HydrophobicContact CD1-CG 4.15Å; L150-L154 HydrophobicContact CG-CD1 3.93Å; L150-L154 HydrophobicContact CG-CG 4.34Å; L150-L154 WeakPolarHBondContact O-CB 3.44Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 2.9Å; N151-L154 PolarHBondContact O-N 3.41Å; L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.17Å; L154-K157 PolarHBondContact O-N 3.15Å; L154-K157 VanDerWaalsContact O-N 3.13Å; L154-I158 VanDerWaalsContact O-CG1 3.3Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.13Å; L154-I522 HydrophobicContact CD2-CG2 4.13Å; L154-L525 HydrophobicContact CD2-CD2 3.86Å; L154-L525 HydrophobicContact CD2-CG 4.44Å; L154-I526 HydrophobicContact CD1-CD1 4.29Å; L154-I526 HydrophobicContact CD1-CG1 3.93Å; L154-I526 HydrophobicContact CD2-CD1 4.36Å; L154-I526 HydrophobicContact CD2-CG1 4.04Å; L154-L791 HydrophobicContact CD1-CD2 3.64Å
155K88.4Confident80.3Confident13 Ų1363 Ų636%0.05732%0.318CS..Hα-helixtrans-55.6-40.3173.1-80.9177171.6160.50112.6Y141 L144 Q145 D146 N151 I153 I158 K159Y141-K155 HydrophobicContact CD2-CB 4.06Å; Y141-K155 HydrophobicContact CD2-CG 3.8Å; Y141-K155 HydrophobicContact CE2-CB 3.61Å; Y141-K155 HydrophobicContact CE2-CD 4.18Å; Y141-K155 HydrophobicContact CE2-CG 3.6Å; Y141-K155 HydrophobicContact CG-CG 4.46Å; Y141-K155 WeakPolarHBondContact O-CE 3.38Å; L144-K155 HydrophobicContact CB-CD 4.47Å; L144-K155 HydrophobicContact CB-CG 4.2Å; L144-K155 HydrophobicContact CD1-CG 4.11Å; L144-K155 WeakPolarHBondContact O-CE 3.44Å; L144-K155 PolarHBondContact O-NZ 3.33Å; Q145-K155 VanDerWaalsContact C-NZ 3.28Å; Q145-K155 PolarHBondContact O-NZ 2.99Å; Q145-K155 VanDerWaalsContact O-NZ 3.08Å; D146-K155 VanDerWaalsContact OD1-CD 3.25Å; D146-K155 WeakPolarHBondContact OD1-CD 3.47Å; D146-K155 IonicContact OD1-NZ 3.94Å; D146-K155 PolarHBondContact OD1-NZ 3.35Å; D146-K155 IonicContact OD2-NZ 3.68Å; D146-K155 PolarHBondContact OD2-NZ 3.21Å; N151-K155 WeakPolarHBondContact O-CB 3.25Å; N151-K155 WeakPolarHBondContact O-CG 3.37Å; N151-K155 PolarHBondContact O-N 3.01Å; I153-K155 PolarHBondContact O-N 3.34Å; K155-I158 PolarHBondContact O-N 2.88Å; K155-K159 WeakPolarHBondContact O-CG 3.37Å; K155-K159 PolarHBondContact O-N 3.48Å
156T87.9Confident80.2Confident73 Ų7363.3 Ų63.345%0.44832%0.318SS..Hα-helixtrans-67.9-43.2176.1-56.80000111.5K152 I153 L154 I158 K159 N160K152-T156 WeakPolarHBondContact O-CB 3.36Å; K152-T156 PolarHBondContact O-N 2.9Å; K152-T156 PolarHBondContact O-OG1 2.71Å; I153-T156 CarbonylContact O-C 3.56Å; I153-T156 WeakPolarHBondContact O-CA 3.48Å; I153-T156 WeakPolarHBondContact O-CB 3.41Å; I153-T156 PolarHBondContact O-N 3.18Å; I153-T156 VanDerWaalsContact O-N 3.13Å; L154-T156 VanDerWaalsContact C-N 3.26Å; L154-T156 PolarHBondContact O-N 3.17Å; T156-I158 VanDerWaalsContact C-N 3.31Å; T156-I158 PolarHBondContact O-N 2.85Å; T156-K159 PolarHBondContact O-N 3.3Å; T156-N160 WeakPolarHBondContact O-CB 3.32Å; T156-N160 PolarHBondContact O-N 3.48Å; T156-N160 PolarHBondContact O-ND2 3.38Å
157K87.1Confident80.8Confident11 Ų1159 Ų595%0.04830%0.295CS..Hα-helixtrans-63.6-35.1175.1-70.2-162.9178-158.60112.1I153 L154 N160 L161 I522 E684 R687 S779I153-K157 HydrophobicContact CG2-CD 4.41Å; I153-K157 HydrophobicContact CG2-CG 4.28Å; I153-K157 WeakPolarHBondContact O-CG 3.36Å; I153-K157 PolarHBondContact O-N 3.08Å; L154-K157 PolarHBondContact O-N 3.15Å; L154-K157 VanDerWaalsContact O-N 3.13Å; K157-N160 CarbonylContact O-C 3.47Å; K157-N160 PolarHBondContact O-N 2.78Å; K157-L161 PolarHBondContact O-N 3.33Å; K157-I522 HydrophobicContact CB-CD1 3.85Å; K157-I522 HydrophobicContact CB-CG1 4.35Å; K157-E684 WeakPolarHBondContact CE-OE2 3.32Å; K157-E684 IonicContact NZ-OE2 3.55Å; K157-E684 PolarHBondContact NZ-OE2 3.19Å; K157-R687 PolarHBondContact O-NH1 3.46Å; K157-S779 PolarHBondContact NZ-OG 3.27Å
158I88.9Confident81.7Confident13 Ų1355.5 Ų55.57%0.06728%0.276CS..Hα-helixtrans-67.6-48.8174.8-67168.8000111.5M137 I140 Y141 L144 L154 K155 T156 N160 L161 I522M137-I158 HydrophobicContact CB-CG2 4.28Å; M137-I158 HydrophobicContact CE-CD1 3.97Å; M137-I158 HydrophobicContact CE-CG1 3.72Å; I140-I158 HydrophobicContact CG2-CD1 4.18Å; Y141-I158 HydrophobicContact CD2-CB 4.33Å; Y141-I158 HydrophobicContact CD2-CG2 4.14Å; L144-I158 HydrophobicContact CD1-CD1 3.94Å; L154-I158 VanDerWaalsContact O-CG1 3.3Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 3.13Å; K155-I158 PolarHBondContact O-N 2.88Å; T156-I158 VanDerWaalsContact C-N 3.31Å; T156-I158 PolarHBondContact O-N 2.85Å; I158-N160 PolarHBondContact O-N 2.95Å; I158-L161 VanDerWaalsContact O-CB 3.28Å; I158-L161 WeakPolarHBondContact O-CB 3.33Å; I158-L161 WeakPolarHBondContact O-CG 3.38Å; I158-L161 PolarHBondContact O-N 3.21Å; I158-I522 HydrophobicContact CG1-CD1 3.96Å; I158-I522 HydrophobicContact CG1-CG2 4.18Å
159K86.6Confident82.5Confident129 Ų12954.4 Ų54.456%0.56127%0.268SS*.Hα-helixtrans-54.7-43.4173.3-76173.1174.4170.60111.3Y141 K155 T156 L161 E162Y141-K159 HydrophobicContact CE2-CD 4.33Å; Y141-K159 HydrophobicContact CE2-CG 4.12Å; Y141-K159 WeakPolarHBondContact OH-CE 3.4Å; Y141-K159 PolarHBondContact OH-NZ 3.2Å; K155-K159 WeakPolarHBondContact O-CG 3.37Å; K155-K159 PolarHBondContact O-N 3.48Å; T156-K159 PolarHBondContact O-N 3.3Å; K159-L161 PolarHBondContact O-N 2.97Å; K159-L161 VanDerWaalsContact O-N 3.12Å; K159-E162 PolarHBondContact O-N 2.9Å
160N84.1Confident83.1Confident101 Ų10149.2 Ų49.254%0.5424%0.24SC..THydrogen-bonded Turntrans-7918.8178.5-61.8-11.1000114.1T156 K157 I158 R687T156-N160 WeakPolarHBondContact O-CB 3.32Å; T156-N160 PolarHBondContact O-N 3.48Å; T156-N160 PolarHBondContact O-ND2 3.38Å; K157-N160 CarbonylContact O-C 3.47Å; K157-N160 PolarHBondContact O-N 2.78Å; I158-N160 PolarHBondContact O-N 2.95Å; N160-R687 PolarHBondContact O-NH1 2.74Å; N160-R687 VanDerWaalsContact O-NH1 3.11Å
161L82.7Confident83.7Confident7 Ų748.5 Ų48.54%0.03724%0.237CC..THydrogen-bonded Turntrans-82.8-37165.2-68.5177.3000111.8M137 K157 I158 K159 T163 Y515 G518 A519 I522M137-L161 HydrophobicContact CE-CD1 4.29Å; M137-L161 HydrophobicContact CG-CD1 4.08Å; K157-L161 PolarHBondContact O-N 3.33Å; I158-L161 VanDerWaalsContact O-CB 3.28Å; I158-L161 WeakPolarHBondContact O-CB 3.33Å; I158-L161 WeakPolarHBondContact O-CG 3.38Å; I158-L161 PolarHBondContact O-N 3.21Å; K159-L161 PolarHBondContact O-N 2.97Å; K159-L161 VanDerWaalsContact O-N 3.12Å; L161-T163 PolarHBondContact O-N 3.47Å; L161-Y515 HydrophobicContact CB-CD2 3.64Å; L161-Y515 HydrophobicContact CB-CE2 3.39Å; L161-Y515 HydrophobicContact CD1-CE2 4.2Å; L161-Y515 HydrophobicContact CG-CE2 4.44Å; L161-Y515 WeakPolarHBondContact O-CD2 3.03Å; L161-G518 VanDerWaalsContact CD2-C 3.45Å; L161-A519 HydrophobicContact CD1-CB 4.16Å; L161-I522 HydrophobicContact CD1-CD1 4.1Å; L161-I522 HydrophobicContact CD2-CD1 3.87Å; L161-I522 HydrophobicContact CG-CD1 4.04Å
162E74.8Confident83.7Confident111 Ų11148.7 Ų48.752%0.51924%0.237SC..  trans-72.3128.3-178.3-67.6-154.413100110.8R134 K159 Y515R134-E162 IonicContact CZ-OE1 2.64Å; R134-E162 IonicContact NE-OE1 3.38Å; R134-E162 PolarHBondContact NE-OE1 3.39Å; R134-E162 IonicContact NH2-OE1 2.74Å; R134-E162 PolarHBondContact NH2-OE1 2.83Å; K159-E162 PolarHBondContact O-N 2.9Å; E162-Y515 HydrophobicContact CG-CD2 4.23Å; E162-Y515 HydrophobicContact CG-CE2 3.63Å
163T66.3Low83.5Confident68 Ų6845 Ų4542%0.41722%0.221SC..  trans-127.8110.8178.349.10000109.3L161 K165L161-T163 PolarHBondContact O-N 3.47Å; T163-K165 PolarHBondContact O-N 3.24Å; T163-K165 VanDerWaalsContact O-N 3.12Å
164E63.6Low83.2Confident165 Ų16545.5 Ų45.577%0.77122%0.222SC*.  trans-62.1118.8175.3-68.8-171.6162.800110.7K694E164-K694 PolarHBondContact O-NZ 2.77Å
165K71.9Confident82.8Confident34 Ų3448.6 Ų48.615%0.14824%0.24CC..  trans-93.7114.9160.1-172.8-172.9-159.7137.70108.3T163 E167 H352 L505 D507 E511T163-K165 PolarHBondContact O-N 3.24Å; T163-K165 VanDerWaalsContact O-N 3.12Å; K165-E167 HydrophobicContact CG-CG 4.46Å; K165-H352 HydrophobicContact CB-CB 4.37Å; K165-H352 HydrophobicContact CD-CB 3.93Å; K165-H352 HydrophobicContact CG-CB 4.1Å; K165-H352 PolarHBondContact O-ND1 3.02Å; K165-H352 VanDerWaalsContact O-ND1 3.09Å; K165-L505 VanDerWaalsContact CE-O 3.29Å; K165-L505 WeakPolarHBondContact CE-O 3.5Å; K165-D507 PolarHBondContact NZ-O 3.44Å; K165-E511 HydrophobicContact CB-CG 4.25Å; K165-E511 HydrophobicContact CD-CG 4.35Å; K165-E511 VanDerWaalsContact CD-OE1 3.23Å; K165-E511 WeakPolarHBondContact CD-OE1 3.45Å; K165-E511 WeakPolarHBondContact CE-OE1 3.17Å; K165-E511 IonicContact NZ-OE1 3.29Å; K165-E511 PolarHBondContact NZ-OE1 3.18Å; K165-E511 IonicContact NZ-OE2 2.96Å; K165-E511 PolarHBondContact NZ-OE2 3.02Å
166K78.4Confident82.3Confident116 Ų11650 Ų5050%0.50426%0.259SS..  trans-135.599.2171.3-165.5164.4-174167.80108.2E209 T354K166-E209 WeakPolarHBondContact CE-OE1 3.12Å; K166-E209 IonicContact NZ-OE1 2.7Å; K166-E209 PolarHBondContact NZ-OE1 3.03Å; K166-E209 IonicContact NZ-OE2 2.64Å; K166-E209 PolarHBondContact NZ-OE2 2.71Å; K166-T354 WeakPolarHBondContact CE-OG1 3.47Å
167E88.5Confident82.2Confident16 Ų1646.6 Ų46.68%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-82.4136.6173.4-66.4-68.7174.100109K165 H352 V353 T354 S380 R415 L505K165-E167 HydrophobicContact CG-CG 4.46Å; E167-H352 WeakPolarHBondContact CB-O 3.42Å; E167-H352 PolarHBondContact N-O 2.87Å; E167-V353 HydrophobicContact CB-CG2 3.96Å; E167-V353 CarbonylContact O-C 3.58Å; E167-V353 WeakPolarHBondContact O-CA 3.34Å; E167-T354 PolarHBondContact O-N 3.11Å; E167-S380 WeakPolarHBondContact OE2-CB 3.45Å; E167-S380 PolarHBondContact OE2-OG 3.28Å; E167-R415 IonicContact OE1-CZ 3.39Å; E167-R415 VanDerWaalsContact OE1-CZ 3.23Å; E167-R415 IonicContact OE1-NH1 2.72Å; E167-R415 PolarHBondContact OE1-NH1 2.7Å; E167-R415 IonicContact OE1-NH2 2.61Å; E167-R415 PolarHBondContact OE1-NH2 3.13Å; E167-R415 IonicContact OE2-CZ 2.7Å; E167-R415 VanDerWaalsContact OE2-CZ 3.31Å; E167-R415 IonicContact OE2-NH1 3.78Å; E167-R415 PolarHBondContact OE2-NH1 3.32Å; E167-R415 IonicContact OE2-NH2 2.7Å; E167-R415 PolarHBondContact OE2-NH2 2.93Å; E167-L505 HydrophobicContact CB-CB 4.42Å; E167-L505 HydrophobicContact CB-CD1 4.47Å; E167-L505 HydrophobicContact CG-CB 4.34Å; E167-L505 HydrophobicContact CG-CD2 4.41Å
168L91.9Very high82.2Confident28 Ų2847.2 Ų47.215%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-120.9121.7-171.2-172.266.8000110.6T354 V356 I375 D378 C379 S380 T381L168-T354 HydrophobicContact CD1-CG2 3.66Å; L168-V356 HydrophobicContact CD1-CG2 3.58Å; L168-V356 HydrophobicContact CG-CG2 4.39Å; L168-I375 HydrophobicContact CD2-CG2 4.1Å; L168-D378 HydrophobicContact CD2-CB 4.01Å; L168-C379 CarbonylContact O-C 3.55Å; L168-C379 WeakPolarHBondContact O-CA 3.46Å; L168-S380 PolarHBondContact N-OG 3.09Å; L168-S380 PolarHBondContact O-N 3.34Å; L168-S380 PolarHBondContact O-OG 2.91Å; L168-T381 PolarHBondContact O-N 2.92Å; L168-T381 VanDerWaalsContact O-N 3.09Å
169V94.6Very high82.2Confident0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-114.896.2-173.2-171.50000109.6V353 T354 L355 V356 T381 W383 L502 L505V169-V353 HydrophobicContact CG2-CG1 4.01Å; V169-T354 PolarHBondContact N-O 2.93Å; V169-L355 HydrophobicContact CB-CD2 3.65Å; V169-L355 HydrophobicContact CG1-CD2 4.01Å; V169-L355 HydrophobicContact CG2-CD2 3.94Å; V169-V356 PolarHBondContact O-N 3.13Å; V169-T381 WeakPolarHBondContact CA-O 3.32Å; V169-T381 HydrophobicContact CG1-CG2 4.15Å; V169-W383 HydrophobicContact CG1-CD2 3.97Å; V169-W383 HydrophobicContact CG1-CG 4.17Å; V169-W383 HydrophobicContact CG1-CZ2 4.12Å; V169-L502 HydrophobicContact CG2-CD2 4.04Å; V169-L505 HydrophobicContact CG2-CD1 4.04Å
170G92.2Very high82.4Confident1 Ų141.3 Ų41.31%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-79.6119.7178.600000112.1T381 V382 W383G170-T381 PolarHBondContact N-O 2.67Å; G170-V382 CarbonylContact O-C 3.59Å; G170-V382 WeakPolarHBondContact O-CA 3.43Å; G170-W383 PolarHBondContact O-N 2.9Å
171V90.6Very high82.7Confident0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-104.4102.8-179.3-1710000109.9K179 I183 V356 L358 W383 V385V171-K179 HydrophobicContact CG1-CB 4.1Å; V171-K179 HydrophobicContact CG1-CD 4.3Å; V171-K179 HydrophobicContact CG1-CG 4.4Å; V171-I183 HydrophobicContact CB-CD1 4.21Å; V171-I183 HydrophobicContact CG1-CD1 4.36Å; V171-I183 HydrophobicContact CG2-CD1 4.11Å; V171-I183 HydrophobicContact CG2-CG1 4.26Å; V171-V356 WeakPolarHBondContact CB-O 3.48Å; V171-V356 PolarHBondContact N-O 3.31Å; V171-L358 WeakPolarHBondContact O-CB 3.18Å; V171-L358 PolarHBondContact O-N 3.49Å; V171-W383 HydrophobicContact CG1-CB 4.37Å; V171-W383 HydrophobicContact CG1-CE3 4.47Å; V171-W383 HydrophobicContact CG2-CB 4.38Å; V171-W383 HydrophobicContact CG2-CD2 4.37Å; V171-W383 HydrophobicContact CG2-CE3 3.86Å; V171-V385 HydrophobicContact CG1-CG2 3.58Å
172F84.3Confident83.3Confident8 Ų838.2 Ų38.24%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-119.2163.2-179.286.2-102.3000112.6K179 L358 F376 V382 W383 V384 V385 I400 L401F172-K179 VanDerWaalsContact C-CD 3.46Å; F172-L358 HydrophobicContact CB-CD1 4.01Å; F172-F376 HydrophobicContact CB-CZ 4.02Å; F172-F376 AromaticContact CD1-CE1 3.89Å; F172-F376 HydrophobicContact CD1-CE1 3.89Å; F172-F376 AromaticContact CD1-CZ 3.94Å; F172-F376 HydrophobicContact CD1-CZ 3.94Å; F172-F376 HydrophobicContact CE1-CE1 4.25Å; F172-F376 HydrophobicContact CG-CE1 4.48Å; F172-F376 HydrophobicContact CG-CZ 4.16Å; F172-V382 HydrophobicContact CD1-CG1 3.45Å; F172-V382 VanDerWaalsContact CD1-CG1 3.45Å; F172-V382 HydrophobicContact CE1-CG1 3.41Å; F172-V382 VanDerWaalsContact CE1-CG1 3.41Å; F172-W383 PolarHBondContact N-O 2.87Å; F172-V384 HydrophobicContact CE1-CB 4.48Å; F172-V384 HydrophobicContact CE1-CG2 3.71Å; F172-V384 HydrophobicContact CE2-CG1 3.83Å; F172-V384 HydrophobicContact CE2-CG2 4.43Å; F172-V384 HydrophobicContact CZ-CB 4.17Å; F172-V384 HydrophobicContact CZ-CG1 3.81Å; F172-V384 HydrophobicContact CZ-CG2 3.62Å; F172-V385 PolarHBondContact O-N 3.26Å; F172-I400 HydrophobicContact CD2-CB 4.27Å; F172-I400 HydrophobicContact CD2-CD1 4.48Å; F172-I400 HydrophobicContact CD2-CG2 3.58Å; F172-I400 HydrophobicContact CE2-CB 3.77Å; F172-I400 HydrophobicContact CE2-CG2 3.35Å; F172-I400 HydrophobicContact CG-CG2 4.38Å; F172-I400 HydrophobicContact CZ-CG2 3.95Å; F172-L401 HydrophobicContact CE1-CD1 4.2Å; F172-L401 HydrophobicContact CZ-CB 4.06Å; F172-L401 HydrophobicContact CZ-CD1 3.95Å
173G80.1Confident84.2Confident0 Ų032.9 Ų32.90%018%0.184CC..  trans143.1155.7-178.300000112.1K179 G360 V385G173-K179 WeakPolarHBondContact O-CD 3.35Å; G173-K179 PolarHBondContact O-NZ 2.9Å; G173-G360 CarbonylContact C-O 3.52Å; G173-G360 CarbonylContact O-C 3.53Å; G173-G360 WeakPolarHBondContact O-CA 3.44Å; G173-G360 VanDerWaalsContact O-O 3.11Å; G173-V385 WeakPolarHBondContact CA-O 3.3Å
174K78.6Confident85.5Confident61 Ų6129.9 Ų29.927%0.26517%0.165SC..  trans-41.9143.3-174.1-163.8-168-166.387.40113.5G176 A177 E394 E396K174-G176 PolarHBondContact O-N 3.46Å; K174-A177 HydrophobicContact CB-CB 4.38Å; K174-A177 WeakPolarHBondContact O-CB 3.45Å; K174-A177 PolarHBondContact O-N 3.26Å; K174-A177 VanDerWaalsContact O-N 3.09Å; K174-E394 IonicContact NZ-OE1 2.72Å; K174-E394 PolarHBondContact NZ-OE1 2.81Å; K174-E396 WeakPolarHBondContact CG-OE2 3.42Å; K174-E396 IonicContact NZ-OE2 2.75Å; K174-E396 PolarHBondContact NZ-OE2 2.93Å
175T77.7Confident87Confident65 Ų6522 Ų2240%0.39913%0.128SC..THydrogen-bonded Turntrans-53.8135.1167.1-57.50000110.2A200T175-A200 HydrophobicContact CG2-CB 3.95Å
176G78.4Confident88.2Confident44 Ų4420.4 Ų20.445%0.45412%0.121SC..THydrogen-bonded Turntrans90.2-20.2-17400000115.5K174 G178K174-G176 PolarHBondContact O-N 3.46Å; G176-G178 PolarHBondContact O-N 3.23Å
177A85.1Confident88.9Confident1 Ų115 Ų151%0.00810%0.098CC..SBendtrans-703-176.200000115.4K174 V385 E387 T422K174-A177 HydrophobicContact CB-CB 4.38Å; K174-A177 WeakPolarHBondContact O-CB 3.45Å; K174-A177 PolarHBondContact O-N 3.26Å; K174-A177 VanDerWaalsContact O-N 3.09Å; A177-V385 HydrophobicContact CB-CG1 4.28Å; A177-V385 VanDerWaalsContact O-CG1 3.29Å; A177-V385 WeakPolarHBondContact O-CG1 3.25Å; A177-E387 HydrophobicContact CB-CG 4.18Å; A177-T422 WeakPolarHBondContact O-CB 2.87Å; A177-T422 WeakPolarHBondContact O-CG2 3.18Å; A177-T422 PolarHBondContact O-OG1 2.91Å
178G87.8Confident89.1Confident23 Ų2319.5 Ų19.524%0.23712%0.117CC..  trans85.518.6169.900000117.1G176 T180 S181 L182G176-G178 PolarHBondContact O-N 3.23Å; G178-T180 PolarHBondContact O-N 3.03Å; G178-S181 CarbonylContact O-C 3.43Å; G178-S181 WeakPolarHBondContact O-CB 3.14Å; G178-S181 PolarHBondContact O-N 3.16Å; G178-L182 PolarHBondContact O-N 3.38Å
179K88.9Confident89Confident12 Ų1220.7 Ų20.75%0.05212%0.122CC..Hα-helixtrans-50.9-54-179.4-54.7-161.9-57.4-69.50114V171 F172 G173 S181 L182 I183 D357 L358 V385V171-K179 HydrophobicContact CG1-CB 4.1Å; V171-K179 HydrophobicContact CG1-CD 4.3Å; V171-K179 HydrophobicContact CG1-CG 4.4Å; F172-K179 VanDerWaalsContact C-CD 3.46Å; G173-K179 WeakPolarHBondContact O-CD 3.35Å; G173-K179 PolarHBondContact O-NZ 2.9Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.35Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 VanDerWaalsContact O-CB 3.29Å; K179-L182 WeakPolarHBondContact O-CB 3.3Å; K179-L182 PolarHBondContact O-N 2.92Å; K179-I183 PolarHBondContact O-N 3.06Å; K179-D357 VanDerWaalsContact CB-OD1 3.29Å; K179-D357 WeakPolarHBondContact CB-OD1 3.43Å; K179-D357 WeakPolarHBondContact CE-OD1 3.34Å; K179-L358 WeakPolarHBondContact CE-O 3.21Å; K179-L358 PolarHBondContact NZ-O 3.26Å; K179-L358 VanDerWaalsContact NZ-O 3.12Å; K179-V385 HydrophobicContact CD-CB 4.34Å; K179-V385 HydrophobicContact CD-CG2 4.36Å; K179-V385 HydrophobicContact CG-CB 3.8Å; K179-V385 HydrophobicContact CG-CG1 4Å; K179-V385 HydrophobicContact CG-CG2 3.94Å
180T89.3Confident88.5Confident6 Ų627 Ų274%0.03715%0.149CC..Hα-helixtrans-61.9-39.2-179.1-34.70000111.1G178 L182 I183 N184 L193 T202 D357G178-T180 PolarHBondContact O-N 3.03Å; T180-L182 VanDerWaalsContact C-N 3.35Å; T180-L182 PolarHBondContact O-N 2.89Å; T180-I183 PolarHBondContact O-N 3.43Å; T180-N184 VanDerWaalsContact O-CG 3.28Å; T180-N184 PolarHBondContact O-N 3.39Å; T180-N184 VanDerWaalsContact O-N 3.08Å; T180-L193 HydrophobicContact CG2-CB 3.34Å; T180-L193 HydrophobicContact CG2-CD1 4.25Å; T180-L193 HydrophobicContact CG2-CG 4.46Å; T180-T202 PolarHBondContact OG1-OG1 2.93Å; T180-D357 PolarHBondContact OG1-OD2 3.45Å
181S91.8Very high88.1Confident43 Ų4330.3 Ų30.330%0.30117%0.167SC..Hα-helixtrans-69.2-27.1173.1-54.70000113.7G178 K179 A185 S479G178-S181 CarbonylContact O-C 3.43Å; G178-S181 WeakPolarHBondContact O-CB 3.14Å; G178-S181 PolarHBondContact O-N 3.16Å; K179-S181 VanDerWaalsContact C-N 3.3Å; K179-S181 PolarHBondContact O-N 3.35Å; S181-A185 WeakPolarHBondContact O-CB 3.42Å; S181-A185 PolarHBondContact O-N 3.42Å; S181-S479 VanDerWaalsContact C-OG 3.26Å; S181-S479 WeakPolarHBondContact O-CB 3.44Å; S181-S479 PolarHBondContact O-OG 2.96Å
182L94.3Very high88.1Confident0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-72.1-46.3172.7174.564.6000110.7G178 K179 T180 A185 V186 W383 V385 V420 V477 S479 L498G178-L182 PolarHBondContact O-N 3.38Å; K179-L182 WeakPolarHBondContact O-CA 3.37Å; K179-L182 VanDerWaalsContact O-CB 3.29Å; K179-L182 WeakPolarHBondContact O-CB 3.3Å; K179-L182 PolarHBondContact O-N 2.92Å; T180-L182 VanDerWaalsContact C-N 3.35Å; T180-L182 PolarHBondContact O-N 2.89Å; L182-A185 PolarHBondContact O-N 3.4Å; L182-V186 HydrophobicContact CD1-CG2 3.96Å; L182-V186 HydrophobicContact CG-CG2 4.37Å; L182-V186 WeakPolarHBondContact O-CG2 3.28Å; L182-V186 PolarHBondContact O-N 3.32Å; L182-W383 HydrophobicContact CD2-CE3 3.9Å; L182-W383 HydrophobicContact CD2-CZ3 4.17Å; L182-W383 HydrophobicContact CG-CZ3 4.32Å; L182-V385 HydrophobicContact CD2-CG2 4.03Å; L182-V420 HydrophobicContact CD1-CG1 4.29Å; L182-V420 HydrophobicContact CD2-CB 4.21Å; L182-V420 HydrophobicContact CD2-CG1 3.67Å; L182-V420 HydrophobicContact CD2-CG2 4.46Å; L182-V477 HydrophobicContact CD1-CG2 3.99Å; L182-S479 WeakPolarHBondContact CA-OG 3.44Å; L182-S479 PolarHBondContact N-OG 3.28Å; L182-L498 HydrophobicContact CD1-CD1 3.95Å
183I94.6Very high88.4Confident0 Ų030 Ų300%017%0.165CC..Hα-helixtrans-59.2-51.4178-68.2166.1000110.3V171 K179 T180 A185 V186 L187 L193 V208 L355 D357V171-I183 HydrophobicContact CB-CD1 4.21Å; V171-I183 HydrophobicContact CG1-CD1 4.36Å; V171-I183 HydrophobicContact CG2-CD1 4.11Å; V171-I183 HydrophobicContact CG2-CG1 4.26Å; K179-I183 PolarHBondContact O-N 3.06Å; T180-I183 PolarHBondContact O-N 3.43Å; I183-A185 VanDerWaalsContact C-N 3.26Å; I183-A185 PolarHBondContact O-N 3.4Å; I183-V186 PolarHBondContact O-N 3.24Å; I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.45Å; I183-L187 WeakPolarHBondContact O-CB 3.29Å; I183-L187 WeakPolarHBondContact O-CG 2.99Å; I183-L187 PolarHBondContact O-N 3.24Å; I183-L193 HydrophobicContact CB-CD1 4.44Å; I183-L193 HydrophobicContact CD1-CD1 4.32Å; I183-L193 HydrophobicContact CG2-CD1 3.9Å; I183-V208 HydrophobicContact CG2-CG2 4.28Å; I183-L355 HydrophobicContact CG2-CD1 4.1Å; I183-D357 HydrophobicContact CD1-CB 3.55Å
184N93.9Very high88.5Confident5 Ų530.2 Ų30.23%0.02717%0.167CC..Hα-helixtrans-54.8-39.5175.4-70.7-5.5000112.5T180 K188 E189 L193T180-N184 VanDerWaalsContact O-CG 3.28Å; T180-N184 PolarHBondContact O-N 3.39Å; T180-N184 VanDerWaalsContact O-N 3.08Å; N184-K188 CarbonylContact O-C 3.45Å; N184-K188 PolarHBondContact O-N 3Å; N184-E189 CarbonylContact C-O 3.57Å; N184-E189 WeakPolarHBondContact CA-O 3.37Å; N184-E189 VanDerWaalsContact CB-O 3.32Å; N184-E189 WeakPolarHBondContact CB-O 3.45Å; N184-E189 CarbonylContact O-C 3.56Å; N184-E189 PolarHBondContact O-N 3.06Å; N184-E189 VanDerWaalsContact O-N 3.13Å; N184-E189 VanDerWaalsContact O-O 3.11Å; N184-L193 PolarHBondContact ND2-O 3.21Å; N184-L193 WeakPolarHBondContact OD1-CB 3.49Å; N184-L193 PolarHBondContact OD1-N 3.32Å
185A94.7Very high88.2Confident0 Ų029.6 Ų29.60%017%0.17CC..Hα-helixtrans-75.3-39.7179.200000113.5S181 L182 I183 K188 F482 F483 I495 Q499S181-A185 WeakPolarHBondContact O-CB 3.42Å; S181-A185 PolarHBondContact O-N 3.42Å; L182-A185 PolarHBondContact O-N 3.4Å; I183-A185 VanDerWaalsContact C-N 3.26Å; I183-A185 PolarHBondContact O-N 3.4Å; A185-K188 PolarHBondContact O-N 2.83Å; A185-F482 HydrophobicContact CB-CD1 4.13Å; A185-F482 WeakPolarHBondContact O-CE1 3.41Å; A185-F483 HydrophobicContact CB-CE2 3.87Å; A185-F483 HydrophobicContact CB-CZ 4.4Å; A185-I495 HydrophobicContact CB-CD1 3.63Å; A185-Q499 PolarHBondContact O-NE2 3.03Å
186V95.7Very high87.4Confident0 Ų028.1 Ų28.10%017%0.168CC..Hα-helixtrans-65.3-42.9176.51710000111L182 I183 K188 W383 I495 L498 Q499 L502L182-V186 HydrophobicContact CD1-CG2 3.96Å; L182-V186 HydrophobicContact CG-CG2 4.37Å; L182-V186 WeakPolarHBondContact O-CG2 3.28Å; L182-V186 PolarHBondContact O-N 3.32Å; I183-V186 PolarHBondContact O-N 3.24Å; V186-K188 PolarHBondContact O-N 3.44Å; V186-W383 HydrophobicContact CG1-CH2 4.2Å; V186-W383 HydrophobicContact CG2-CH2 4.12Å; V186-W383 HydrophobicContact CG2-CZ3 4.16Å; V186-I495 HydrophobicContact CG2-CG2 4.04Å; V186-L498 HydrophobicContact CG2-CB 4.11Å; V186-L498 HydrophobicContact CG2-CD1 4.23Å; V186-Q499 HydrophobicContact CG1-CG 4.11Å; V186-Q499 WeakPolarHBondContact O-CG 3.39Å; V186-Q499 PolarHBondContact O-NE2 3.42Å; V186-L502 HydrophobicContact CG1-CD1 3.5Å; V186-L502 HydrophobicContact CG1-CG 4.4Å
187L94.3Very high86.1Confident2 Ų231.9 Ų31.91%0.0119%0.188CC..THydrogen-bonded Turntrans-72.6-7.9176.6-63.8179.5000113.7I183 E189 L192 V208 N347 F349 L350 L355I183-L187 HydrophobicContact CG2-CD1 3.88Å; I183-L187 HydrophobicContact CG2-CG 4.45Å; I183-L187 WeakPolarHBondContact O-CB 3.29Å; I183-L187 WeakPolarHBondContact O-CG 2.99Å; I183-L187 PolarHBondContact O-N 3.24Å; L187-E189 HydrophobicContact CB-CB 4.48Å; L187-E189 PolarHBondContact O-N 3.05Å; L187-E189 VanDerWaalsContact O-N 3.15Å; L187-L192 HydrophobicContact CD1-CD2 3.82Å; L187-V208 HydrophobicContact CD1-CB 4.44Å; L187-V208 HydrophobicContact CD1-CG1 3.77Å; L187-N347 PolarHBondContact O-ND2 2.92Å; L187-F349 HydrophobicContact CD2-CB 4.15Å; L187-L350 HydrophobicContact CD1-CD1 4.21Å; L187-L350 HydrophobicContact CD2-CD1 3.91Å; L187-L350 HydrophobicContact CD2-CD2 3.81Å; L187-L350 HydrophobicContact CD2-CG 3.69Å; L187-L355 HydrophobicContact CD1-CD1 4.18Å; L187-L355 HydrophobicContact CD2-CD1 3.82Å; L187-L355 HydrophobicContact CG-CD1 3.99Å
188K92.6Very high84.5Confident111 Ų11137.8 Ų37.848%0.48322%0.224SC..  trans65.6-5.6-170-54.2174.4-176.9167.30114.6N184 A185 V186 K190 F349 F482 F483N184-K188 CarbonylContact O-C 3.45Å; N184-K188 PolarHBondContact O-N 3Å; A185-K188 PolarHBondContact O-N 2.83Å; V186-K188 PolarHBondContact O-N 3.44Å; K188-K190 PolarHBondContact O-N 3.26Å; K188-F349 HydrophobicContact CD-CE2 4.15Å; K188-F349 HydrophobicContact CG-CE2 4.37Å; K188-F482 HydrophobicContact CG-CE1 4.32Å; K188-F482 HydrophobicContact CG-CZ 4.31Å; K188-F483 WeakPolarHBondContact O-CE1 3.28Å
189E90Very high82.8Confident52 Ų5237.6 Ų37.624%0.24322%0.218CC..  trans-79.7105.3179.6-75.4-53.4139.600113.6N184 L187 N191 L192 Y217 V344N184-E189 CarbonylContact C-O 3.57Å; N184-E189 WeakPolarHBondContact CA-O 3.37Å; N184-E189 VanDerWaalsContact CB-O 3.32Å; N184-E189 WeakPolarHBondContact CB-O 3.45Å; N184-E189 CarbonylContact O-C 3.56Å; N184-E189 PolarHBondContact O-N 3.06Å; N184-E189 VanDerWaalsContact O-N 3.13Å; N184-E189 VanDerWaalsContact O-O 3.11Å; L187-E189 HydrophobicContact CB-CB 4.48Å; L187-E189 PolarHBondContact O-N 3.05Å; L187-E189 VanDerWaalsContact O-N 3.15Å; E189-N191 PolarHBondContact O-N 2.92Å; E189-L192 HydrophobicContact CB-CB 3.83Å; E189-L192 HydrophobicContact CB-CD2 4.22Å; E189-Y217 PolarHBondContact OE1-OH 2.97Å; E189-Y217 PolarHBondContact OE2-OH 3.4Å; E189-V344 HydrophobicContact CG-CG1 4.26Å
190K84.6Confident81.3Confident133 Ų13338.1 Ų38.158%0.57823%0.225SC*.THydrogen-bonded Turntrans-75.6118.9-178.4-172.9-176173.4-168.90110.8K188 F483K188-K190 PolarHBondContact O-N 3.26Å; K190-F483 HydrophobicContact CB-CE1 4.02Å; K190-F483 HydrophobicContact CB-CZ 4.02Å; K190-F483 HydrophobicContact CG-CZ 4.49Å
191N83.9Confident79.5Confident71 Ų7138.8 Ų38.838%0.3823%0.23SC..THydrogen-bonded Turntrans76.110179.7-46.2-26.3000116E189 L193 S310E189-N191 PolarHBondContact O-N 2.92Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-S310 WeakPolarHBondContact O-CB 3.47Å; N191-S310 PolarHBondContact O-OG 3.48Å
192L90.2Very high77.8Confident0 Ų037.2 Ų37.20%022%0.218CC..SBendtrans-49.4-54.1179.7176.369.5000113.4L187 E189 V208 Y217 A306 S310 V342 V344L187-L192 HydrophobicContact CD1-CD2 3.82Å; E189-L192 HydrophobicContact CB-CB 3.83Å; E189-L192 HydrophobicContact CB-CD2 4.22Å; L192-V208 HydrophobicContact CD2-CG1 4.03Å; L192-Y217 HydrophobicContact CD1-CD1 3.9Å; L192-Y217 HydrophobicContact CD1-CE1 4.08Å; L192-A306 HydrophobicContact CB-CB 4.26Å; L192-A306 HydrophobicContact CD1-CB 3.88Å; L192-S310 WeakPolarHBondContact O-CB 3.29Å; L192-S310 PolarHBondContact O-OG 3.15Å; L192-V342 HydrophobicContact CD1-CG1 3.88Å; L192-V342 HydrophobicContact CG-CG1 4.31Å; L192-V344 HydrophobicContact CD1-CG2 4.13Å; L192-V344 HydrophobicContact CD2-CG2 3.58Å; L192-V344 HydrophobicContact CG-CG2 4.49Å
193L89.9Confident76.5Confident0 Ų037.7 Ų37.70%022%0.222CC..SBendtrans-95.5137.7171.9-59.5-169.9000110.6T180 I183 N184 N191 S195 I206 V208 V342 D357T180-L193 HydrophobicContact CG2-CB 3.34Å; T180-L193 HydrophobicContact CG2-CD1 4.25Å; T180-L193 HydrophobicContact CG2-CG 4.46Å; I183-L193 HydrophobicContact CB-CD1 4.44Å; I183-L193 HydrophobicContact CD1-CD1 4.32Å; I183-L193 HydrophobicContact CG2-CD1 3.9Å; N184-L193 PolarHBondContact ND2-O 3.21Å; N184-L193 WeakPolarHBondContact OD1-CB 3.49Å; N184-L193 PolarHBondContact OD1-N 3.32Å; N191-L193 PolarHBondContact O-N 3.19Å; L193-S195 PolarHBondContact O-N 3.01Å; L193-S195 VanDerWaalsContact O-N 3.11Å; L193-I206 HydrophobicContact CD1-CG2 4.36Å; L193-I206 HydrophobicContact CD2-CD1 4.38Å; L193-I206 HydrophobicContact CD2-CG2 3.79Å; L193-V208 HydrophobicContact CD1-CG2 3.87Å; L193-V208 HydrophobicContact CD2-CG2 4.19Å; L193-V208 HydrophobicContact CG-CG2 4.34Å; L193-V342 HydrophobicContact CD2-CB 4.46Å; L193-V342 HydrophobicContact CD2-CG2 3.95Å; L193-D357 HydrophobicContact CD1-CB 4.29Å
194P81.4Confident75.8Confident5 Ų537.7 Ų37.73%0.03222%0.222CC..  trans-59.4110.1-179.5-28.436.2000113.9S310 I313 V314P194-S310 WeakPolarHBondContact CG-O 3.34Å; P194-I313 HydrophobicContact CG-CD1 4.33Å; P194-I313 HydrophobicContact CG-CG1 3.97Å; P194-V314 HydrophobicContact CB-CG2 3.7Å; P194-V314 HydrophobicContact CG-CG2 3.69Å
195S72.6Confident75.4Confident48 Ų4837.7 Ų37.734%0.33622%0.221SC..  trans-99.6157.1172.262.20000111.9L193L193-S195 PolarHBondContact O-N 3.01Å; L193-S195 VanDerWaalsContact O-N 3.11Å
196G62.4Low75.1Confident35 Ų3537.7 Ų37.736%0.36122%0.222SC..  trans-153.1163.3-179.100000112.2C201G196-C201 PolarHBondContact N-SG 2.98Å; G196-C201 VanDerWaalsContact N-SG 3.37Å; G196-C201 PolarHBondContact O-SG 3.49Å; G196-C201 VanDerWaalsContact O-SG 3.42Å
197S51Low75.1Confident123 Ų12340.1 Ų40.186%0.8623%0.232SC*.SBendtrans-105.3-32.2-175.946.80000114.2
198V50.5Low75.1Confident125 Ų12540 Ų4076%0.75823%0.232SC*.SBendtrans-107.6-38.3-170.3-175.20000113.1
199S53.2Low75.2Confident18 Ų1836.3 Ų36.313%0.12622%0.216CC..SBendtrans-110.7170.9-174.364.30000112.7C201 R318 N323S199-C201 PolarHBondContact O-N 3.44Å; S199-R318 PolarHBondContact OG-NH2 3.01Å; S199-N323 VanDerWaalsContact OG-CG 3.26Å; S199-N323 PolarHBondContact OG-ND2 2.93Å; S199-N323 VanDerWaalsContact OG-ND2 3.1Å; S199-N323 PolarHBondContact OG-OD1 3.29Å
200A56.4Low75.2Confident23 Ų2335.2 Ų35.219%0.1921%0.212CC..  trans-62.4124.8174.800000110.5T175T175-A200 HydrophobicContact CG2-CB 3.95Å
201C52.4Low75.4Confident21 Ų2129.4 Ų29.414%0.14219%0.187CC..SBendtrans-76.8-26.5-175.9-52.70000112.8G196 S199 R318G196-C201 PolarHBondContact N-SG 2.98Å; G196-C201 VanDerWaalsContact N-SG 3.37Å; G196-C201 PolarHBondContact O-SG 3.49Å; G196-C201 VanDerWaalsContact O-SG 3.42Å; S199-C201 PolarHBondContact O-N 3.44Å; C201-R318 VanDerWaalsContact O-CG 3.26Å; C201-R318 WeakPolarHBondContact O-CG 3.43Å
202T56.3Low74.8Confident10 Ų1033 Ų336%0.06120%0.195CC..  trans-142.699.9-168.3-47.90000108.4T180 V204 I206 D357T180-T202 PolarHBondContact OG1-OG1 2.93Å; T202-V204 WeakPolarHBondContact CG2-O 3.46Å; T202-I206 HydrophobicContact CG2-CD1 4.19Å; T202-I206 HydrophobicContact CG2-CG1 4.25Å; T202-D357 HydrophobicContact CG2-CB 4.42Å; T202-D357 PolarHBondContact OG1-OD2 2.91Å
203S66.7Low73.8Confident10 Ų1041.7 Ų41.77%0.0724%0.236CC..SBendtrans-96.9-4.5176.9-64.60000113.2T317 D319 R368S203-T317 WeakPolarHBondContact CB-O 3.33Å; S203-T317 PolarHBondContact N-O 3.46Å; S203-D319 VanDerWaalsContact OG-CB 3.31Å; S203-D319 WeakPolarHBondContact OG-CB 3.41Å; S203-D319 PolarHBondContact OG-N 3.3Å; S203-D319 VanDerWaalsContact OG-N 3.11Å; S203-R368 PolarHBondContact O-NH2 3.08Å
204V78.1Confident73.2Confident0 Ų044 Ų440%025%0.248CC..SBendtrans-140.6143.4-176.7-179.10000107.4T202 I206 Y316 W334 V337T202-V204 WeakPolarHBondContact CG2-O 3.46Å; V204-I206 PolarHBondContact O-N 3.11Å; V204-Y316 WeakPolarHBondContact CG2-O 3.47Å; V204-W334 HydrophobicContact CG2-CB 4.01Å; V204-V337 HydrophobicContact CG1-CB 4.07Å; V204-V337 HydrophobicContact CG1-CG1 3.71Å; V204-V337 HydrophobicContact CG2-CB 4.32Å
205M85.5Confident73.5Confident4 Ų452 Ų522%0.0229%0.285CS..  trans-63.4132.4175.6179-177.262.900111.4C339 V340 V356 L358 M371 I375M205-C339 HydrophobicContact CE-CB 4.06Å; M205-V340 PolarHBondContact O-N 3.39Å; M205-V340 VanDerWaalsContact O-N 3.11Å; M205-V356 HydrophobicContact CG-CG1 3.52Å; M205-V356 HydrophobicContact SD-CG1 3.78Å; M205-L358 HydrophobicContact CG-CD2 4.11Å; M205-L358 HydrophobicContact SD-CD2 4.12Å; M205-M371 HydrophobicContact CE-SD 3.57Å; M205-M371 VanDerWaalsContact CE-SD 3.57Å; M205-I375 HydrophobicContact CE-CD1 3.43Å; M205-I375 VanDerWaalsContact CE-CD1 3.43Å; M205-I375 HydrophobicContact SD-CD1 3.46Å; M205-I375 WeakPolarHBondContact SD-CD1 3.29Å
206I90.4Very high74.4Confident1 Ų153.2 Ų53.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-117.9121.5177.4-49.8175.3000109.6L193 T202 V204 T317 V340 V342 V356 D357L193-I206 HydrophobicContact CD1-CG2 4.36Å; L193-I206 HydrophobicContact CD2-CD1 4.38Å; L193-I206 HydrophobicContact CD2-CG2 3.79Å; T202-I206 HydrophobicContact CG2-CD1 4.19Å; T202-I206 HydrophobicContact CG2-CG1 4.25Å; V204-I206 PolarHBondContact O-N 3.11Å; I206-T317 HydrophobicContact CD1-CG2 3.77Å; I206-T317 HydrophobicContact CG1-CG2 4.11Å; I206-V340 CarbonylContact C-O 3.58Å; I206-V340 WeakPolarHBondContact CA-O 3.33Å; I206-V340 HydrophobicContact CG2-CB 4.45Å; I206-V342 HydrophobicContact CG2-CG2 3.94Å; I206-V356 CarbonylContact O-C 3.57Å; I206-V356 WeakPolarHBondContact O-CA 3.36Å; I206-D357 HydrophobicContact CB-CB 4.46Å; I206-D357 PolarHBondContact N-O 3.41Å; I206-D357 PolarHBondContact O-N 3.07Å
207K93.8Very high75.9Confident50 Ų5053 Ų5322%0.21727%0.273CS..EExtended strand (participates in β ladder)trans-88.1143.8165.8-60.8168.1-169.3149.70109C339 V340 T341 V342 T354 L355 V356K207-C339 WeakPolarHBondContact CE-SG 3.31Å; K207-C339 PolarHBondContact NZ-SG 3.38Å; K207-V340 PolarHBondContact N-O 2.78Å; K207-T341 HydrophobicContact CB-CG2 4.2Å; K207-V342 PolarHBondContact O-N 3.03Å; K207-T354 HydrophobicContact CB-CG2 4.16Å; K207-T354 HydrophobicContact CG-CG2 4.47Å; K207-L355 CarbonylContact C-O 3.59Å; K207-L355 WeakPolarHBondContact CA-O 3.48Å; K207-V356 HydrophobicContact CG-CG2 4.44Å
208V95.3Very high78Confident0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-123.2124.7169.4-161.90000108.8I183 L187 L192 L193 V342 V344 L350 T354 L355I183-V208 HydrophobicContact CG2-CG2 4.28Å; L187-V208 HydrophobicContact CD1-CB 4.44Å; L187-V208 HydrophobicContact CD1-CG1 3.77Å; L192-V208 HydrophobicContact CD2-CG1 4.03Å; L193-V208 HydrophobicContact CD1-CG2 3.87Å; L193-V208 HydrophobicContact CD2-CG2 4.19Å; L193-V208 HydrophobicContact CG-CG2 4.34Å; V208-V342 CarbonylContact C-O 3.59Å; V208-V342 WeakPolarHBondContact CA-O 3.19Å; V208-V342 HydrophobicContact CG1-CB 4.49Å; V208-V344 HydrophobicContact CG1-CG2 3.57Å; V208-L350 HydrophobicContact CG1-CD1 3.84Å; V208-T354 WeakPolarHBondContact O-CA 3.44Å; V208-L355 HydrophobicContact CB-CB 4.38Å; V208-L355 PolarHBondContact N-O 3.26Å; V208-L355 PolarHBondContact O-N 3.27Å; V208-L355 VanDerWaalsContact O-N 3.11Å
209E94.2Very high80.2Confident34 Ų3442.4 Ų42.416%0.15920%0.201CC..EExtended strand (participates in β ladder)trans-134.8165.8-172.5-55.7-163.2175.600111.2K166 T341 V342 R343 V344 T354K166-E209 WeakPolarHBondContact CE-OE1 3.12Å; K166-E209 IonicContact NZ-OE1 2.7Å; K166-E209 PolarHBondContact NZ-OE1 3.03Å; K166-E209 IonicContact NZ-OE2 2.64Å; K166-E209 PolarHBondContact NZ-OE2 2.71Å; E209-T341 HydrophobicContact CG-CG2 4.16Å; E209-V342 PolarHBondContact N-O 3.13Å; E209-R343 CarbonylContact O-C 3.57Å; E209-R343 WeakPolarHBondContact O-CA 3.29Å; E209-V344 PolarHBondContact O-N 3.48Å; E209-T354 HydrophobicContact CG-CG2 3.77Å; E209-T354 PolarHBondContact OE1-OG1 3.03Å
210D91Very high82.2Confident29 Ų2943.7 Ų43.716%0.15521%0.206CC..EExtended strand (participates in β ladder)trans-78.9141.2-179.9-176.121.3000111.9R212 L350 Q351D210-R212 WeakPolarHBondContact OD2-CD 3.48Å; D210-R212 WeakPolarHBondContact OD2-CG 3.34Å; D210-R212 IonicContact OD2-CZ 3.62Å; D210-R212 IonicContact OD2-NE 2.63Å; D210-R212 PolarHBondContact OD2-NE 3.26Å; D210-L350 HydrophobicContact CB-CB 3.88Å; D210-Q351 WeakPolarHBondContact OD2-CA 2.76Å
211N87.6Confident84.1Confident11 Ų1142.6 Ų42.66%0.05920%0.197CC..  trans-107.158.9177.5-152.63.2000114Q213 N214 K216 E218 R343 V344N211-Q213 PolarHBondContact O-N 2.87Å; N211-N214 PolarHBondContact ND2-O 2.88Å; N211-N214 PolarHBondContact O-N 2.73Å; N211-N214 VanDerWaalsContact O-O 3.04Å; N211-K216 PolarHBondContact ND2-O 3.03Å; N211-E218 VanDerWaalsContact ND2-CD 3.34Å; N211-E218 WeakPolarHBondContact ND2-CG 3.44Å; N211-E218 PolarHBondContact ND2-OE1 3.01Å; N211-R343 HydrophobicContact CB-CB 3.71Å; N211-V344 PolarHBondContact N-O 3.46Å
212R71.4Confident86Confident146 Ų14644.4 Ų44.455%0.55120%0.203SC*.THydrogen-bonded Turntrans-57.6-14.3-175.8-60.3-165.2-177-166.910.3116.8D210 Q351 H352D210-R212 WeakPolarHBondContact OD2-CD 3.48Å; D210-R212 WeakPolarHBondContact OD2-CG 3.34Å; D210-R212 IonicContact OD2-CZ 3.62Å; D210-R212 IonicContact OD2-NE 2.63Å; D210-R212 PolarHBondContact OD2-NE 3.26Å; R212-Q351 VanDerWaalsContact NH2-C 3.28Å; R212-Q351 PolarHBondContact NH2-O 3.46Å; R212-H352 PolarHBondContact NH2-CD2 2.91Å; R212-H352 PolarHBondContact NH2-CE1 3.23Å; R212-H352 VanDerWaalsContact NH2-CE1 3.3Å; R212-H352 PolarHBondContact NH2-NE2 2.83Å
213Q69.4Low87.7Confident183 Ų18344.7 Ų44.786%0.85520%0.203SC*.THydrogen-bonded Turntrans-108.5-5.5-173.8-63.7-175-2.200113.1N211N211-Q213 PolarHBondContact O-N 2.87Å
214N77.6Confident88.8Confident48 Ų4844.5 Ų44.526%0.25720%0.201SC..  trans-153.4123.6-174.6178.611.1000110.3N211 K216 E218N211-N214 PolarHBondContact ND2-O 2.88Å; N211-N214 PolarHBondContact O-N 2.73Å; N211-N214 VanDerWaalsContact O-O 3.04Å; N214-K216 PolarHBondContact O-N 3.03Å; N214-K216 WeakPolarHBondContact OD1-CB 3.39Å; N214-K216 PolarHBondContact OD1-N 3.46Å; N214-E218 PolarHBondContact ND2-OE1 3.48Å
215E86.9Confident89.2Confident172 Ų17246 Ų4680%0.80421%0.212SC*.SBendtrans-65.4-0.3-179.3-59.7174.7171.700113.7P345E215-P345 WeakPolarHBondContact O-CB 3.39Å; E215-P345 WeakPolarHBondContact O-CG 3.27Å
216K92.6Very high89.4Confident74 Ų7446.7 Ų46.732%0.32222%0.217SC..SBendtrans-107.5158.5-175-57.1-170.2-178.6-157.50112.5N211 N214 V302 E304N211-K216 PolarHBondContact ND2-O 3.03Å; N214-K216 PolarHBondContact O-N 3.03Å; N214-K216 WeakPolarHBondContact OD1-CB 3.39Å; N214-K216 PolarHBondContact OD1-N 3.46Å; K216-V302 HydrophobicContact CB-CG1 3.73Å; K216-V302 HydrophobicContact CD-CG1 4.01Å; K216-V302 HydrophobicContact CG-CG1 4.48Å; K216-E304 WeakPolarHBondContact CD-OE2 3.47Å; K216-E304 WeakPolarHBondContact CE-OE2 3.22Å; K216-E304 IonicContact NZ-OE1 3.39Å; K216-E304 PolarHBondContact NZ-OE1 3.16Å; K216-E304 IonicContact NZ-OE2 2.7Å; K216-E304 PolarHBondContact NZ-OE2 3.41Å
217Y93.9Very high89.1Confident31 Ų3149.3 Ų49.312%0.12223%0.229CC..EExtended strand (participates in β ladder)trans-77.1134.5173.2-63.6-96.7000109.8E189 L192 V302 F303 A306 V344 P345E189-Y217 PolarHBondContact OE1-OH 2.97Å; E189-Y217 PolarHBondContact OE2-OH 3.4Å; L192-Y217 HydrophobicContact CD1-CD1 3.9Å; L192-Y217 HydrophobicContact CD1-CE1 4.08Å; Y217-V302 CarbonylContact O-C 3.52Å; Y217-V302 WeakPolarHBondContact O-CA 3.49Å; Y217-F303 PolarHBondContact N-O 3.02Å; Y217-F303 PolarHBondContact O-N 3.29Å; Y217-A306 HydrophobicContact CD1-CB 4.06Å; Y217-A306 HydrophobicContact CE1-CB 3.58Å; Y217-V344 HydrophobicContact CD1-CG1 4.46Å; Y217-V344 HydrophobicContact CE1-CG1 3.98Å; Y217-P345 HydrophobicContact CD2-CG 4.18Å; Y217-P345 HydrophobicContact CE1-CG 4.37Å; Y217-P345 HydrophobicContact CE2-CG 4Å; Y217-P345 HydrophobicContact CG-CG 4.42Å
218E95.2Very high88.6Confident25 Ų2550.5 Ų50.512%0.11724%0.238CC..EExtended strand (participates in β ladder)trans-121.6147.3175.2-65.9174.9-159.700111.8N211 N214 L301 V302 L309 V342 R343N211-E218 VanDerWaalsContact ND2-CD 3.34Å; N211-E218 WeakPolarHBondContact ND2-CG 3.44Å; N211-E218 PolarHBondContact ND2-OE1 3.01Å; N214-E218 PolarHBondContact ND2-OE1 3.48Å; E218-L301 CarbonylContact C-O 3.55Å; E218-L301 VanDerWaalsContact CA-O 3.27Å; E218-L301 WeakPolarHBondContact CA-O 3.49Å; E218-V302 HydrophobicContact CG-CG1 4.41Å; E218-V302 HydrophobicContact CG-CG2 4.3Å; E218-L309 WeakPolarHBondContact O-CD1 3.43Å; E218-V342 CarbonylContact O-C 3.07Å; E218-V342 VanDerWaalsContact O-CA 3.29Å; E218-V342 WeakPolarHBondContact O-CA 3.34Å; E218-R343 HydrophobicContact CB-CB 4.1Å; E218-R343 HydrophobicContact CB-CG 4.34Å; E218-R343 PolarHBondContact N-O 2.74Å; E218-R343 PolarHBondContact O-N 2.58Å; E218-R343 IonicContact OE2-NH1 2.73Å; E218-R343 PolarHBondContact OE2-NH1 3.17Å; E218-R343 VanDerWaalsContact OE2-NH1 3.13Å
219A95.8Very high88.3Confident0 Ų050.5 Ų50.50%024%0.238CC..EExtended strand (participates in β ladder)trans-125.7113.8164.400000109.5L301 L309 I313 T341A219-L301 PolarHBondContact N-O 2.85Å; A219-L301 PolarHBondContact O-N 3.26Å; A219-L309 HydrophobicContact CB-CD1 4.12Å; A219-L309 HydrophobicContact CB-CG 4.2Å; A219-I313 HydrophobicContact CB-CG2 3.5Å; A219-I313 VanDerWaalsContact CB-CG2 3.5Å; A219-T341 WeakPolarHBondContact CA-O 3.47Å
220E96Very high88Confident46 Ų4653.2 Ų53.222%0.21525%0.25CS..EExtended strand (participates in β ladder)trans-96.1121.3169.4-176.6178.8177.200109.6S298 V340 T341 R343E220-S298 VanDerWaalsContact OE1-CB 3.26Å; E220-S298 WeakPolarHBondContact OE1-CB 3.29Å; E220-S298 PolarHBondContact OE1-OG 3.19Å; E220-V340 CarbonylContact O-C 3.55Å; E220-V340 WeakPolarHBondContact O-CA 3.39Å; E220-T341 PolarHBondContact N-O 3.36Å; E220-T341 PolarHBondContact O-N 3.26Å; E220-R343 IonicContact OE2-CZ 2.73Å; E220-R343 IonicContact OE2-NH1 2.68Å; E220-R343 PolarHBondContact OE2-NH1 3.36Å; E220-R343 IonicContact OE2-NH2 3.16Å; E220-R343 PolarHBondContact OE2-NH2 3.46Å
221I95.7Very high87.6Confident0 Ų056.8 Ų56.80%027%0.27CS..EExtended strand (participates in β ladder)trans-103.9111.2-178.4-58.9146.6000107.9F223 S298 K299 L301 Y316 V337 V340I221-F223 HydrophobicContact CB-CZ 4.44Å; I221-F223 HydrophobicContact CG2-CD1 4.28Å; I221-F223 HydrophobicContact CG2-CE1 3.73Å; I221-F223 HydrophobicContact CG2-CE2 4.12Å; I221-F223 HydrophobicContact CG2-CZ 3.64Å; I221-S298 CarbonylContact O-C 3.53Å; I221-S298 VanDerWaalsContact O-CA 3.24Å; I221-S298 WeakPolarHBondContact O-CA 3.28Å; I221-S298 WeakPolarHBondContact O-CB 3.37Å; I221-K299 HydrophobicContact CB-CB 4.35Å; I221-K299 HydrophobicContact CD1-CB 4.49Å; I221-K299 HydrophobicContact CD1-CD 4.3Å; I221-K299 PolarHBondContact N-O 3.16Å; I221-K299 PolarHBondContact O-N 2.97Å; I221-L301 HydrophobicContact CD1-CD1 3.61Å; I221-L301 HydrophobicContact CD1-CG 4.16Å; I221-Y316 HydrophobicContact CD1-CD1 4.11Å; I221-Y316 HydrophobicContact CD1-CD2 3.42Å; I221-Y316 VanDerWaalsContact CD1-CD2 3.42Å; I221-Y316 HydrophobicContact CD1-CE1 4.03Å; I221-Y316 HydrophobicContact CD1-CE2 3.31Å; I221-Y316 HydrophobicContact CD1-CG 3.84Å; I221-Y316 HydrophobicContact CG1-CD2 4.12Å; I221-Y316 HydrophobicContact CG1-CE2 4.45Å; I221-Y316 HydrophobicContact CG1-CG 4.18Å; I221-Y316 HydrophobicContact CG2-CD1 3.98Å; I221-Y316 HydrophobicContact CG2-CE1 4.45Å; I221-Y316 HydrophobicContact CG2-CG 4.26Å; I221-V337 HydrophobicContact CG2-CG1 3.86Å; I221-V337 HydrophobicContact CG2-CG2 3.86Å; I221-V340 HydrophobicContact CG1-CG2 4.48Å
222E93.6Very high87.5Confident58 Ų5857.3 Ų57.327%0.27127%0.272SS..EExtended strand (participates in β ladder)trans-91.1124173.8-167.7-170.6-177.300108.4V337 K338 C339E222-V337 WeakPolarHBondContact O-CG1 3.38Å; E222-K338 HydrophobicContact CG-CB 4.37Å; E222-K338 HydrophobicContact CG-CD 4.03Å; E222-K338 WeakPolarHBondContact O-CA 3.34Å; E222-K338 WeakPolarHBondContact O-CB 3.43Å; E222-K338 PolarHBondContact O-N 3.13Å; E222-K338 WeakPolarHBondContact OE1-CD 3.48Å; E222-K338 WeakPolarHBondContact OE1-CE 3.45Å; E222-K338 IonicContact OE1-NZ 3.36Å; E222-K338 PolarHBondContact OE1-NZ 2.9Å; E222-C339 HydrophobicContact CB-CB 4.14Å; E222-C339 PolarHBondContact N-O 3.18Å; E222-C339 PolarHBondContact O-N 3.06Å; E222-C339 VanDerWaalsContact O-N 3.16Å; E222-C339 WeakPolarHBondContact OE2-CB 3.4Å
223F91.8Very high88.3Confident16 Ų1650.4 Ų50.47%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-93.4163.6176.3-58.3-79000112.1I221 I290 E292 F293 K299 Y316 L336 V337 K338I221-F223 HydrophobicContact CB-CZ 4.44Å; I221-F223 HydrophobicContact CG2-CD1 4.28Å; I221-F223 HydrophobicContact CG2-CE1 3.73Å; I221-F223 HydrophobicContact CG2-CE2 4.12Å; I221-F223 HydrophobicContact CG2-CZ 3.64Å; F223-I290 HydrophobicContact CE1-CD1 4.29Å; F223-I290 HydrophobicContact CE1-CG2 4.36Å; F223-I290 HydrophobicContact CZ-CB 4.04Å; F223-I290 HydrophobicContact CZ-CG2 3.89Å; F223-E292 HydrophobicContact CE2-CB 4.26Å; F223-F293 HydrophobicContact CB-CB 4.33Å; F223-F293 HydrophobicContact CB-CD2 3.87Å; F223-F293 HydrophobicContact CD1-CB 4.37Å; F223-F293 HydrophobicContact CD2-CB 4.06Å; F223-F293 HydrophobicContact CE2-CB 4.48Å; F223-F293 HydrophobicContact CG-CB 4Å; F223-F293 HydrophobicContact CG-CD2 4.36Å; F223-K299 HydrophobicContact CE2-CB 3.92Å; F223-K299 HydrophobicContact CZ-CB 4.38Å; F223-Y316 HydrophobicContact CE1-CD1 4.44Å; F223-Y316 HydrophobicContact CE1-CE1 4.39Å; F223-Y316 HydrophobicContact CZ-CE1 4.31Å; F223-L336 CarbonylContact C-O 3.43Å; F223-L336 WeakPolarHBondContact CA-O 3.31Å; F223-L336 HydrophobicContact CD1-CB 4.08Å; F223-V337 HydrophobicContact CD1-CG2 4.09Å; F223-V337 HydrophobicContact CE1-CG2 4Å; F223-K338 VanDerWaalsContact C-CB 3.5Å; F223-K338 WeakPolarHBondContact O-CB 3.43Å; F223-K338 WeakPolarHBondContact O-CD 3.46Å
224I88.3Confident88.9Confident6 Ų643.5 Ų43.53%0.03122%0.223CC..PPolyproline II helixtrans-70.6162.1161.367.3-175.4000109.3D228 W229 F293 L336 K338I224-D228 HydrophobicContact CB-CB 4.22Å; I224-W229 HydrophobicContact CD1-CB 3.86Å; I224-W229 HydrophobicContact CD1-CD2 4.39Å; I224-W229 HydrophobicContact CD1-CE3 3.85Å; I224-W229 HydrophobicContact CD1-CG 4.44Å; I224-W229 HydrophobicContact CG1-CB 4.25Å; I224-F293 HydrophobicContact CG1-CE2 4.34Å; I224-F293 WeakPolarHBondContact O-CD2 3.44Å; I224-F293 WeakPolarHBondContact O-CE2 3.07Å; I224-L336 WeakPolarHBondContact CG1-O 3.34Å; I224-L336 PolarHBondContact N-O 2.91Å; I224-K338 HydrophobicContact CG2-CB 3.93Å; I224-K338 HydrophobicContact CG2-CG 4.47Å
225S88.1Confident89.1Confident31 Ų3144.3 Ų44.322%0.21723%0.233CC..PPolyproline II helixtrans-69.9153.1176.269.20000111.2E227 D228 W229S225-E227 PolarHBondContact O-N 2.68Å; S225-D228 WeakPolarHBondContact CB-OD2 3.35Å; S225-D228 PolarHBondContact N-OD2 3.39Å; S225-D228 VanDerWaalsContact N-OD2 3.16Å; S225-D228 PolarHBondContact O-N 2.86Å; S225-D228 VanDerWaalsContact O-N 3.11Å; S225-D228 PolarHBondContact OG-N 3.24Å; S225-D228 PolarHBondContact OG-OD2 2.84Å; S225-W229 PolarHBondContact O-N 3.31Å
226P88.8Confident89Confident19 Ų1936.6 Ų36.612%0.12320%0.197CC..Hα-helixtrans-53.1-36.3170.2-28.137000112.6W229 E230 M282 F293 S296P226-W229 PolarHBondContact O-N 3.42Å; P226-E230 PolarHBondContact O-N 3.23Å; P226-M282 HydrophobicContact CB-CE 4.03Å; P226-M282 WeakPolarHBondContact O-CE 3.26Å; P226-F293 HydrophobicContact CB-CZ 4.26Å; P226-F293 HydrophobicContact CG-CE2 4.31Å; P226-F293 HydrophobicContact CG-CZ 4.31Å; P226-F293 VanDerWaalsContact CG-O 3.3Å; P226-F293 WeakPolarHBondContact CG-O 3.46Å; P226-S296 VanDerWaalsContact CD-OG 3.31Å; P226-S296 WeakPolarHBondContact CD-OG 2.99Å
227E84.3Confident88.6Confident57 Ų5733.8 Ų33.827%0.26619%0.186SC..Hα-helixtrans-66.9-41.6175.9-59.896.4139.400112.8R57 S225 W229 E230 D231R57-E227 IonicContact CZ-OE1 3.31Å; R57-E227 IonicContact NH1-OE1 2.87Å; R57-E227 PolarHBondContact NH1-OE1 2.99Å; R57-E227 IonicContact NH2-OE1 3.23Å; S225-E227 PolarHBondContact O-N 2.68Å; E227-W229 VanDerWaalsContact C-N 3.3Å; E227-W229 PolarHBondContact O-N 3.41Å; E227-E230 PolarHBondContact O-N 3.49Å; E227-D231 PolarHBondContact O-N 2.73Å; E227-D231 VanDerWaalsContact O-N 3.13Å
228D84.3Confident88Confident75 Ų7534.2 Ų34.240%0.40119%0.193SC..Hα-helixtrans-64-36.3174.5-63.1-53.5000111.5I224 S225 E232I224-D228 HydrophobicContact CB-CB 4.22Å; S225-D228 WeakPolarHBondContact CB-OD2 3.35Å; S225-D228 PolarHBondContact N-OD2 3.39Å; S225-D228 VanDerWaalsContact N-OD2 3.16Å; S225-D228 PolarHBondContact O-N 2.86Å; S225-D228 VanDerWaalsContact O-N 3.11Å; S225-D228 PolarHBondContact OG-N 3.24Å; S225-D228 PolarHBondContact OG-OD2 2.84Å; D228-E232 PolarHBondContact O-N 3.19Å
229W88.9Confident87.3Confident0 Ų035.4 Ų35.40%020%0.2CC..Hα-helixtrans-71.8-36.5176.8-174.3-123.5000112.3I224 S225 P226 E227 E232 L233 L236 L268 Y269 F293 P335 L336I224-W229 HydrophobicContact CD1-CB 3.86Å; I224-W229 HydrophobicContact CD1-CD2 4.39Å; I224-W229 HydrophobicContact CD1-CE3 3.85Å; I224-W229 HydrophobicContact CD1-CG 4.44Å; I224-W229 HydrophobicContact CG1-CB 4.25Å; S225-W229 PolarHBondContact O-N 3.31Å; P226-W229 PolarHBondContact O-N 3.42Å; E227-W229 VanDerWaalsContact C-N 3.3Å; E227-W229 PolarHBondContact O-N 3.41Å; W229-E232 HydrophobicContact CE3-CB 4.08Å; W229-E232 HydrophobicContact CE3-CG 4.31Å; W229-E232 HydrophobicContact CZ3-CB 4.4Å; W229-E232 HydrophobicContact CZ3-CG 4.13Å; W229-E232 PolarHBondContact O-N 2.85Å; W229-L233 HydrophobicContact CD2-CD2 4.48Å; W229-L233 HydrophobicContact CD2-CG 4.1Å; W229-L233 HydrophobicContact CG-CD1 4.48Å; W229-L233 HydrophobicContact CG-CG 4.3Å; W229-L233 HydrophobicContact CH2-CD2 4.29Å; W229-L233 HydrophobicContact CZ2-CD2 3.55Å; W229-L233 HydrophobicContact CZ2-CG 4.09Å; W229-L233 WeakPolarHBondContact O-CB 3.44Å; W229-L233 VanDerWaalsContact O-CG 3.29Å; W229-L233 WeakPolarHBondContact O-CG 3.31Å; W229-L233 PolarHBondContact O-N 3.07Å; W229-L236 HydrophobicContact CH2-CD1 4.02Å; W229-L236 HydrophobicContact CZ3-CD1 4.24Å; W229-L268 HydrophobicContact CZ2-CD2 3.7Å; W229-Y269 HydrophobicContact CZ2-CE2 4.11Å; W229-Y269 PolarHBondContact NE1-OH 2.97Å; W229-Y269 VanDerWaalsContact NE1-OH 3.08Å; W229-F293 HydrophobicContact CB-CE2 4.26Å; W229-F293 HydrophobicContact CB-CZ 3.86Å; W229-F293 AromaticContact CD1-CZ 3.95Å; W229-F293 HydrophobicContact CG-CZ 4.13Å; W229-P335 HydrophobicContact CH2-CB 3.73Å; W229-P335 HydrophobicContact CZ3-CB 3.95Å; W229-L336 HydrophobicContact CB-CD2 4.28Å; W229-L336 HydrophobicContact CD2-CD2 3.4Å; W229-L336 VanDerWaalsContact CE2-CD2 3.46Å; W229-L336 HydrophobicContact CE3-CD2 4.01Å; W229-L336 HydrophobicContact CG-CD2 3.5Å; W229-L336 HydrophobicContact CZ2-CD2 4.11Å
230E87Confident86.6Confident91 Ų9135.8 Ų35.843%0.42520%0.202SC..Hα-helixtrans-63.9-43.2175-166.6175.1-170.300111.6P226 E227 E232 L233 G234 M282P226-E230 PolarHBondContact O-N 3.23Å; E227-E230 PolarHBondContact O-N 3.49Å; E230-E232 PolarHBondContact O-N 2.9Å; E230-L233 PolarHBondContact O-N 3.47Å; E230-G234 PolarHBondContact O-N 3.15Å; E230-M282 HydrophobicContact CB-CE 4.31Å; E230-M282 HydrophobicContact CG-CG 4.48Å
231D83.1Confident85.8Confident104 Ų10440 Ų4056%0.55622%0.219SC*.Hα-helixtrans-63.7-36.9173.5-82.4-25.8000111.8E227 S235E227-D231 PolarHBondContact O-N 2.73Å; E227-D231 VanDerWaalsContact O-N 3.13Å; D231-S235 PolarHBondContact O-N 3Å; D231-S235 PolarHBondContact O-OG 3.47Å
232E85.1Confident84.6Confident22 Ų2245.5 Ų45.510%0.10324%0.243CC..Hα-helixtrans-71-45.4173.3-172.3170.6-174.900112.2D228 W229 E230 G234 S235 L236 K264 N365D228-E232 PolarHBondContact O-N 3.19Å; W229-E232 HydrophobicContact CE3-CB 4.08Å; W229-E232 HydrophobicContact CE3-CG 4.31Å; W229-E232 HydrophobicContact CZ3-CB 4.4Å; W229-E232 HydrophobicContact CZ3-CG 4.13Å; W229-E232 PolarHBondContact O-N 2.85Å; E230-E232 PolarHBondContact O-N 2.9Å; E232-G234 PolarHBondContact O-N 3.29Å; E232-S235 CarbonylContact O-C 3.51Å; E232-S235 WeakPolarHBondContact O-CA 3.44Å; E232-S235 VanDerWaalsContact O-CB 3.23Å; E232-S235 WeakPolarHBondContact O-CB 3.34Å; E232-S235 PolarHBondContact O-N 3.44Å; E232-L236 HydrophobicContact CG-CD1 4.04Å; E232-L236 HydrophobicContact CG-CD2 4.49Å; E232-L236 HydrophobicContact CG-CG 4.01Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 2.82Å; E232-K264 IonicContact OE1-NZ 3.56Å; E232-K264 PolarHBondContact OE1-NZ 3.36Å; E232-N365 PolarHBondContact OE1-ND2 3.33Å; E232-N365 PolarHBondContact OE1-OD1 3.18Å; E232-N365 VanDerWaalsContact OE2-CG 3.32Å; E232-N365 PolarHBondContact OE2-ND2 3Å; E232-N365 PolarHBondContact OE2-OD1 3.1Å
233L87.1Confident83.3Confident0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-55.3-47.7176.7-80.3178.5000111.8W229 E230 S235 L236 L237 L265 Y269 C278 L281 M282W229-L233 HydrophobicContact CD2-CD2 4.48Å; W229-L233 HydrophobicContact CD2-CG 4.1Å; W229-L233 HydrophobicContact CG-CD1 4.48Å; W229-L233 HydrophobicContact CG-CG 4.3Å; W229-L233 HydrophobicContact CH2-CD2 4.29Å; W229-L233 HydrophobicContact CZ2-CD2 3.55Å; W229-L233 HydrophobicContact CZ2-CG 4.09Å; W229-L233 WeakPolarHBondContact O-CB 3.44Å; W229-L233 VanDerWaalsContact O-CG 3.29Å; W229-L233 WeakPolarHBondContact O-CG 3.31Å; W229-L233 PolarHBondContact O-N 3.07Å; E230-L233 PolarHBondContact O-N 3.47Å; L233-S235 PolarHBondContact O-N 2.86Å; L233-L236 PolarHBondContact O-N 2.93Å; L233-L237 WeakPolarHBondContact O-CB 3.49Å; L233-L237 WeakPolarHBondContact O-CG 3.28Å; L233-L237 PolarHBondContact O-N 3.34Å; L233-L265 HydrophobicContact CD2-CD2 3.6Å; L233-Y269 HydrophobicContact CD2-CE2 3.88Å; L233-C278 WeakPolarHBondContact CB-SG 3.29Å; L233-L281 HydrophobicContact CD1-CB 4.32Å; L233-M282 HydrophobicContact CD1-CG 3.95Å; L233-M282 HydrophobicContact CD1-SD 3.64Å
234G83.6Confident81.9Confident38 Ų3849 Ų4939%0.39227%0.273SS..Hα-helixtrans-57.3-38.717500000112E230 E232 S238E230-G234 PolarHBondContact O-N 3.15Å; E232-G234 PolarHBondContact O-N 3.29Å; G234-S238 WeakPolarHBondContact O-CB 3.41Å; G234-S238 PolarHBondContact O-N 3.37Å; G234-S238 VanDerWaalsContact O-N 3.16Å
235S82Confident80.5Confident66 Ų6656.2 Ų56.246%0.46231%0.307SS..Hα-helixtrans-67-49.7175.4-57.30000112.2D231 E232 L233 S238 I239D231-S235 PolarHBondContact O-N 3Å; D231-S235 PolarHBondContact O-OG 3.47Å; E232-S235 CarbonylContact O-C 3.51Å; E232-S235 WeakPolarHBondContact O-CA 3.44Å; E232-S235 VanDerWaalsContact O-CB 3.23Å; E232-S235 WeakPolarHBondContact O-CB 3.34Å; E232-S235 PolarHBondContact O-N 3.44Å; L233-S235 PolarHBondContact O-N 2.86Å; S235-S238 WeakPolarHBondContact O-CB 3.33Å; S235-S238 PolarHBondContact O-N 2.71Å; S235-S238 VanDerWaalsContact O-N 3.15Å; S235-S238 PolarHBondContact O-OG 3.01Å; S235-I239 WeakPolarHBondContact O-CG1 3.22Å; S235-I239 PolarHBondContact O-N 3.47Å; S235-I239 VanDerWaalsContact O-N 3.15Å
236L84.4Confident78.8Confident9 Ų959.8 Ų59.85%0.04732%0.32CS..Hα-helixtrans-61.4-48.2180-63.8177.8000111.8W229 E232 L233 S238 I239 I240 A261 K264 L265W229-L236 HydrophobicContact CH2-CD1 4.02Å; W229-L236 HydrophobicContact CZ3-CD1 4.24Å; E232-L236 HydrophobicContact CG-CD1 4.04Å; E232-L236 HydrophobicContact CG-CD2 4.49Å; E232-L236 HydrophobicContact CG-CG 4.01Å; E232-L236 WeakPolarHBondContact O-CG 3.41Å; E232-L236 PolarHBondContact O-N 2.82Å; L233-L236 PolarHBondContact O-N 2.93Å; L236-S238 PolarHBondContact O-N 2.89Å; L236-I239 WeakPolarHBondContact O-CB 3.48Å; L236-I239 PolarHBondContact O-N 3.5Å; L236-I240 PolarHBondContact O-N 3.17Å; L236-I240 VanDerWaalsContact O-N 3.12Å; L236-A261 HydrophobicContact CB-CB 4.37Å; L236-A261 HydrophobicContact CD2-CB 3.82Å; L236-K264 HydrophobicContact CD1-CB 4.2Å; L236-K264 HydrophobicContact CD1-CD 4.08Å; L236-K264 HydrophobicContact CD2-CD 4.05Å; L236-L265 HydrophobicContact CB-CD1 4.21Å; L236-L265 HydrophobicContact CB-CD2 4.45Å; L236-L265 HydrophobicContact CB-CG 4.4Å; L236-L265 HydrophobicContact CD1-CD2 4.08Å; L236-L265 HydrophobicContact CD1-CG 4.24Å
237L84.6Confident76.6Confident16 Ų1664.8 Ų64.88%0.08435%0.35CS..Hα-helixtrans-62.5-29.8175.9-67.5173.2000111.8L233 K241 L265 W273 C278 L281L233-L237 WeakPolarHBondContact O-CB 3.49Å; L233-L237 WeakPolarHBondContact O-CG 3.28Å; L233-L237 PolarHBondContact O-N 3.34Å; L237-K241 WeakPolarHBondContact O-CB 3.33Å; L237-K241 WeakPolarHBondContact O-CD 3.34Å; L237-K241 WeakPolarHBondContact O-CG 3.25Å; L237-K241 PolarHBondContact O-N 3.02Å; L237-K241 VanDerWaalsContact O-N 3.12Å; L237-L265 HydrophobicContact CD2-CD1 4.09Å; L237-W273 HydrophobicContact CD2-CE3 4.48Å; L237-C278 HydrophobicContact CD1-CB 4.32Å; L237-L281 HydrophobicContact CD1-CD1 4.33Å; L237-L281 HydrophobicContact CD2-CD1 4.46Å
238S81.1Confident74.8Confident39 Ų3971.2 Ų71.227%0.27338%0.38SS..Hα-helixtrans-69.4-31172.493.60000113.1G234 S235 L236 K242G234-S238 WeakPolarHBondContact O-CB 3.41Å; G234-S238 PolarHBondContact O-N 3.37Å; G234-S238 VanDerWaalsContact O-N 3.16Å; S235-S238 WeakPolarHBondContact O-CB 3.33Å; S235-S238 PolarHBondContact O-N 2.71Å; S235-S238 VanDerWaalsContact O-N 3.15Å; S235-S238 PolarHBondContact O-OG 3.01Å; L236-S238 PolarHBondContact O-N 2.89Å; S238-K242 WeakPolarHBondContact O-CD 3.29Å; S238-K242 WeakPolarHBondContact O-CE 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.39Å; S238-K242 PolarHBondContact O-N 3.33Å; S238-K242 PolarHBondContact OG-NZ 2.7Å
239I79.6Confident72.9Confident50 Ų5074.6 Ų74.626%0.25640%0.398SS..Hα-helixtrans-71.4-50178-67.4165.4000109.3S235 L236 K241 K242 G243 E257 A261S235-I239 WeakPolarHBondContact O-CG1 3.22Å; S235-I239 PolarHBondContact O-N 3.47Å; S235-I239 VanDerWaalsContact O-N 3.15Å; L236-I239 WeakPolarHBondContact O-CB 3.48Å; L236-I239 PolarHBondContact O-N 3.5Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 2.89Å; I239-K242 PolarHBondContact O-N 3.08Å; I239-K242 VanDerWaalsContact O-N 3.13Å; I239-G243 PolarHBondContact O-N 2.85Å; I239-E257 HydrophobicContact CG2-CB 4.43Å; I239-A261 HydrophobicContact CB-CB 4.42Å; I239-A261 HydrophobicContact CG2-CB 4.23Å
240I81.9Confident70.8Confident9 Ų978.2 Ų78.25%0.04642%0.418CS..Hα-helixtrans-58.1-45.4177-57.3-59.2000111.3L236 K242 G243 N244 Y258 A261 A262 L265 W273L236-I240 PolarHBondContact O-N 3.17Å; L236-I240 VanDerWaalsContact O-N 3.12Å; I240-K242 PolarHBondContact O-N 2.9Å; I240-G243 PolarHBondContact O-N 3.17Å; I240-N244 PolarHBondContact O-N 3.37Å; I240-Y258 HydrophobicContact CB-CE2 4.34Å; I240-Y258 HydrophobicContact CD1-CD2 3.71Å; I240-Y258 HydrophobicContact CD1-CE2 3.69Å; I240-Y258 HydrophobicContact CD1-CG 4.16Å; I240-Y258 HydrophobicContact CG2-CE2 3.79Å; I240-A261 HydrophobicContact CD1-CB 3.99Å; I240-A261 HydrophobicContact CG1-CB 4.41Å; I240-A262 HydrophobicContact CD1-CB 4.16Å; I240-L265 HydrophobicContact CG1-CD1 4.31Å; I240-W273 HydrophobicContact CB-CZ3 4.34Å; I240-W273 HydrophobicContact CD1-CH2 4.06Å; I240-W273 HydrophobicContact CD1-CZ3 4.44Å; I240-W273 HydrophobicContact CG1-CH2 4.01Å; I240-W273 HydrophobicContact CG1-CZ3 3.88Å; I240-W273 HydrophobicContact CG2-CH2 4.12Å; I240-W273 HydrophobicContact CG2-CZ3 3.89Å
241K78.8Confident68.8Low133 Ų13379.8 Ų79.858%0.57843%0.433SS*.Hα-helixtrans-62.7-27.7179.4-74.8171.7-176.61760113.6L237 I239 Q245L237-K241 WeakPolarHBondContact O-CB 3.33Å; L237-K241 WeakPolarHBondContact O-CD 3.34Å; L237-K241 WeakPolarHBondContact O-CG 3.25Å; L237-K241 PolarHBondContact O-N 3.02Å; L237-K241 VanDerWaalsContact O-N 3.12Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 2.89Å; K241-Q245 VanDerWaalsContact O-CG 3.3Å; K241-Q245 WeakPolarHBondContact O-CG 3.37Å
242K71.2Confident67.1Low116 Ų11681 Ų8150%0.50444%0.44SS..Hα-helixtrans-77.3-45.9173-68.4157.6-168.21540111.2S238 I239 I240 N244 Q245S238-K242 WeakPolarHBondContact O-CD 3.29Å; S238-K242 WeakPolarHBondContact O-CE 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.39Å; S238-K242 PolarHBondContact O-N 3.33Å; S238-K242 PolarHBondContact OG-NZ 2.7Å; I239-K242 PolarHBondContact O-N 3.08Å; I239-K242 VanDerWaalsContact O-N 3.13Å; I240-K242 PolarHBondContact O-N 2.9Å; K242-N244 VanDerWaalsContact C-N 3.31Å; K242-N244 PolarHBondContact O-N 2.95Å; K242-Q245 PolarHBondContact O-N 3.01Å
243G64.9Low65.2Low36 Ų3684.1 Ų84.137%0.37146%0.457SS..Hα-helixtrans-56.6-44.1177.400000112.5I239 I240 Q245 E246I239-G243 PolarHBondContact O-N 2.85Å; I240-G243 PolarHBondContact O-N 3.17Å; G243-Q245 PolarHBondContact O-N 3.06Å; G243-E246 PolarHBondContact O-N 3.31Å
244N63.3Low63.5Low111 Ų11185.6 Ų85.659%0.59447%0.467SS*.THydrogen-bonded Turntrans-69.21.7177-67.7-2.2000114.7I240 K242 Y258I240-N244 PolarHBondContact O-N 3.37Å; K242-N244 VanDerWaalsContact C-N 3.31Å; K242-N244 PolarHBondContact O-N 2.95Å; N244-Y258 WeakPolarHBondContact OD1-CE2 3.41Å; N244-Y258 PolarHBondContact OD1-OH 3.27Å
245Q57.9Low62.3Low158 Ų15887 Ų8774%0.73847%0.466SS*.THydrogen-bonded Turntrans-116-6.3179.2-71.2179.4-4.300113.8K241 K242 G243K241-Q245 VanDerWaalsContact O-CG 3.3Å; K241-Q245 WeakPolarHBondContact O-CG 3.37Å; K242-Q245 PolarHBondContact O-N 3.01Å; G243-Q245 PolarHBondContact O-N 3.06Å
246E52.3Low61.4Low107 Ų10786.4 Ų86.450%0.546%0.456SS..  trans-97.9113.1175.8-68.5-166.8-156.700111G243 N250G243-E246 PolarHBondContact O-N 3.31Å; E246-N250 PolarHBondContact OE2-ND2 3.5Å
247T44.1Very low60.5Low123 Ų12389.9 Ų89.976%0.75547%0.472SS*.  trans-87.1120.3179.550.50000112.7D249T247-D249 VanDerWaalsContact C-N 3.28Å; T247-D249 PolarHBondContact O-N 3.2Å
248E44.8Very low60Low193 Ų19392.2 Ų92.290%0.90248%0.48SS*.SBendtrans56.5-21.1156.1-59.8-169.8137.300121.2
249D44.6Very low59.8Low145 Ų14595.1 Ų95.178%0.77549%0.489SS*.SBendtrans-101.11.4-167.5-97.6-27.9000117T247T247-D249 VanDerWaalsContact C-N 3.28Å; T247-D249 PolarHBondContact O-N 3.2Å
250N45.6Very low59.5Low77 Ų7793.6 Ų93.641%0.41248%0.482SS..  trans-125.646.1-167.1-76.2-33.5000115.9E246 D252 S254E246-N250 PolarHBondContact OE2-ND2 3.5Å; N250-D252 PolarHBondContact O-N 3.27Å; N250-S254 PolarHBondContact O-OG 3.37Å
251V44.1Very low59.4Low123 Ų12393.3 Ų93.375%0.74548%0.48SS*.THydrogen-bonded Turntrans-81.5110.8-176.4-173.30000113.2
252D47.9Very low59.6Low131 Ų13187.6 Ų87.670%0.70146%0.458SS*.THydrogen-bonded Turntrans177.8-59.2144.8-141.22.6000110N250N250-D252 PolarHBondContact O-N 3.27Å
253D45.7Very low60.1Low86 Ų8684 Ų8446%0.4644%0.444SS..THydrogen-bonded Turntrans-95.8-14.4-173.7-91.5-29.6000113.9K602D253-K602 HydrophobicContact CB-CD 4.38Å
254S51.5Low61Low31 Ų3182.7 Ų82.722%0.21743%0.428CS..SBendtrans-69.7-43.7-177.1-470000111N250 E256 E257 Y258 K602N250-S254 PolarHBondContact O-OG 3.37Å; S254-E256 VanDerWaalsContact C-N 3.35Å; S254-E256 PolarHBondContact O-N 2.96Å; S254-E257 PolarHBondContact O-N 2.87Å; S254-Y258 PolarHBondContact O-N 2.95Å; S254-K602 PolarHBondContact OG-NZ 3.38Å
255D58.9Low62.2Low69 Ų6977.4 Ų77.437%0.36940%0.4SS..Hα-helixtrans-71.3-33.5-173.1-44.7-57.4000110.7E257 Y258 H259D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.07Å; D255-Y258 PolarHBondContact O-N 3.31Å; D255-H259 VanDerWaalsContact O-CB 3.29Å; D255-H259 WeakPolarHBondContact O-CB 3.49Å; D255-H259 PolarHBondContact O-CD2 3.47Å; D255-H259 VanDerWaalsContact O-CG 3.24Å; D255-H259 PolarHBondContact O-N 2.88Å
256E61.6Low63.6Low52 Ų5272.5 Ų72.524%0.24338%0.381CS..Hα-helixtrans-65-25.4179.3-84.4-138.6-13500114.8S254 K617 K618S254-E256 VanDerWaalsContact C-N 3.35Å; S254-E256 PolarHBondContact O-N 2.96Å; E256-K617 PolarHBondContact O-NZ 3.11Å; E256-K617 WeakPolarHBondContact OE2-CD 3.37Å; E256-K617 WeakPolarHBondContact OE2-CE 3.49Å; E256-K617 IonicContact OE2-NZ 2.66Å; E256-K617 PolarHBondContact OE2-NZ 3.2Å; E256-K618 WeakPolarHBondContact OE1-CE 3.43Å; E256-K618 IonicContact OE1-NZ 2.73Å; E256-K618 PolarHBondContact OE1-NZ 2.68Å
257E66.1Low65.2Low83 Ų8368 Ų6839%0.38836%0.362SS..Hα-helixtrans-90.9-35.3172.9-66.2-162.8147.700112.2I239 S254 D255 D260 A261 K606I239-E257 HydrophobicContact CG2-CB 4.43Å; S254-E257 PolarHBondContact O-N 2.87Å; D255-E257 VanDerWaalsContact C-N 3.31Å; D255-E257 PolarHBondContact O-N 3.07Å; E257-D260 PolarHBondContact O-N 3.23Å; E257-A261 WeakPolarHBondContact O-CB 3.44Å; E257-A261 PolarHBondContact O-N 3.13Å; E257-A261 VanDerWaalsContact O-N 3.11Å; E257-K606 IonicContact OE1-NZ 2.7Å; E257-K606 PolarHBondContact OE1-NZ 3.25Å
258Y74.9Confident67.3Low64 Ų6462.1 Ų62.125%0.25133%0.326SS..Hα-helixtrans-58.2-47.4170.7178.9-85.9000111.2I240 N244 S254 D255 A261 A262I240-Y258 HydrophobicContact CB-CE2 4.34Å; I240-Y258 HydrophobicContact CD1-CD2 3.71Å; I240-Y258 HydrophobicContact CD1-CE2 3.69Å; I240-Y258 HydrophobicContact CD1-CG 4.16Å; I240-Y258 HydrophobicContact CG2-CE2 3.79Å; N244-Y258 WeakPolarHBondContact OD1-CE2 3.41Å; N244-Y258 PolarHBondContact OD1-OH 3.27Å; S254-Y258 PolarHBondContact O-N 2.95Å; D255-Y258 PolarHBondContact O-N 3.31Å; Y258-A261 PolarHBondContact O-N 3.46Å; Y258-A262 HydrophobicContact CE1-CB 4.47Å; Y258-A262 WeakPolarHBondContact O-CB 3.46Å; Y258-A262 PolarHBondContact O-N 2.76Å
259H75.4Confident69.4Low101 Ų10153.1 Ų53.147%0.46828%0.284SS..Hα-helixtrans-64.3-43.6177.6-71.6-51.2000112.4D255 A261 A262 D263D255-H259 VanDerWaalsContact O-CB 3.29Å; D255-H259 WeakPolarHBondContact O-CB 3.49Å; D255-H259 PolarHBondContact O-CD2 3.47Å; D255-H259 VanDerWaalsContact O-CG 3.24Å; D255-H259 PolarHBondContact O-N 2.88Å; H259-A261 VanDerWaalsContact C-N 3.27Å; H259-A261 PolarHBondContact O-N 2.98Å; H259-A262 PolarHBondContact O-N 3.14Å; H259-D263 VanDerWaalsContact O-CB 3.27Å; H259-D263 WeakPolarHBondContact O-CB 3.29Å; H259-D263 PolarHBondContact O-N 3Å
260D74.8Confident71.3Confident18 Ų1850.7 Ų50.710%0.09627%0.268CS..Hα-helixtrans-64.2-34.5178.8-15683.5000112.1E257 K264 R364E257-D260 PolarHBondContact O-N 3.23Å; D260-K264 WeakPolarHBondContact O-CG 3.44Å; D260-K264 PolarHBondContact O-N 3.49Å; D260-R364 WeakPolarHBondContact OD1-CD 3.21Å; D260-R364 IonicContact OD1-CZ 2.62Å; D260-R364 IonicContact OD1-NE 2.9Å; D260-R364 IonicContact OD1-NH1 2.79Å; D260-R364 PolarHBondContact OD1-NH1 2.87Å
261A79.3Confident73.2Confident2 Ų251.9 Ų51.92%0.01727%0.274CS..Hα-helixtrans-71.6-42.8173.600000112.6L236 I239 I240 E257 Y258 H259 K264 L265L236-A261 HydrophobicContact CB-CB 4.37Å; L236-A261 HydrophobicContact CD2-CB 3.82Å; I239-A261 HydrophobicContact CB-CB 4.42Å; I239-A261 HydrophobicContact CG2-CB 4.23Å; I240-A261 HydrophobicContact CD1-CB 3.99Å; I240-A261 HydrophobicContact CG1-CB 4.41Å; E257-A261 WeakPolarHBondContact O-CB 3.44Å; E257-A261 PolarHBondContact O-N 3.13Å; E257-A261 VanDerWaalsContact O-N 3.11Å; Y258-A261 PolarHBondContact O-N 3.46Å; H259-A261 VanDerWaalsContact C-N 3.27Å; H259-A261 PolarHBondContact O-N 2.98Å; A261-K264 PolarHBondContact O-N 3.12Å; A261-L265 VanDerWaalsContact O-CG 3.31Å; A261-L265 WeakPolarHBondContact O-CG 3.26Å; A261-L265 PolarHBondContact O-N 3.29Å
262A83.1Confident75.2Confident13 Ų1350.4 Ų50.411%0.10726%0.259CS..Hα-helixtrans-65.4-41.5176.300000111.9I240 Y258 H259 L265 T266 W273I240-A262 HydrophobicContact CD1-CB 4.16Å; Y258-A262 HydrophobicContact CE1-CB 4.47Å; Y258-A262 WeakPolarHBondContact O-CB 3.46Å; Y258-A262 PolarHBondContact O-N 2.76Å; H259-A262 PolarHBondContact O-N 3.14Å; A262-L265 PolarHBondContact O-N 2.93Å; A262-T266 WeakPolarHBondContact O-CB 3.35Å; A262-T266 PolarHBondContact O-N 3.42Å; A262-T266 PolarHBondContact O-OG1 3.43Å; A262-W273 HydrophobicContact CB-CH2 4.39Å; A262-W273 HydrophobicContact CB-CZ2 4.07Å
263D81.1Confident77Confident42 Ų4244.6 Ų44.623%0.22523%0.227CC..Hα-helixtrans-59.7-47.3176.2-72-15.4000110.3H259 A267H259-D263 VanDerWaalsContact O-CB 3.27Å; H259-D263 WeakPolarHBondContact O-CB 3.29Å; H259-D263 PolarHBondContact O-N 3Å; D263-A267 VanDerWaalsContact O-CB 3.24Å; D263-A267 WeakPolarHBondContact O-CB 3.44Å; D263-A267 PolarHBondContact O-N 2.82Å
264K84.6Confident79Confident8 Ų846.3 Ų46.34%0.03523%0.231CC..Hα-helixtrans-61.4-46.5176.1-78.6177.4-178.1-176.90113.3E232 L236 D260 A261 W334 P335E232-K264 IonicContact OE1-NZ 3.56Å; E232-K264 PolarHBondContact OE1-NZ 3.36Å; L236-K264 HydrophobicContact CD1-CB 4.2Å; L236-K264 HydrophobicContact CD1-CD 4.08Å; L236-K264 HydrophobicContact CD2-CD 4.05Å; D260-K264 WeakPolarHBondContact O-CG 3.44Å; D260-K264 PolarHBondContact O-N 3.49Å; A261-K264 PolarHBondContact O-N 3.12Å; K264-W334 HydrophobicContact CD-CH2 4.48Å; K264-W334 HydrophobicContact CG-CH2 3.56Å; K264-W334 HydrophobicContact CG-CZ2 3.96Å; K264-W334 HydrophobicContact CG-CZ3 4.34Å; K264-P335 HydrophobicContact CB-CB 4.47Å; K264-P335 HydrophobicContact CB-CG 4.34Å; K264-P335 HydrophobicContact CG-CB 4.4Å; K264-P335 HydrophobicContact CG-CG 4.4Å
265L88.2Confident80.5Confident0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-69.7-40.3-178.7-68171.6000110.8L233 L236 L237 I240 A261 A262 A267 L268 Y269 W273L233-L265 HydrophobicContact CD2-CD2 3.6Å; L236-L265 HydrophobicContact CB-CD1 4.21Å; L236-L265 HydrophobicContact CB-CD2 4.45Å; L236-L265 HydrophobicContact CB-CG 4.4Å; L236-L265 HydrophobicContact CD1-CD2 4.08Å; L236-L265 HydrophobicContact CD1-CG 4.24Å; L237-L265 HydrophobicContact CD2-CD1 4.09Å; I240-L265 HydrophobicContact CG1-CD1 4.31Å; A261-L265 VanDerWaalsContact O-CG 3.31Å; A261-L265 WeakPolarHBondContact O-CG 3.26Å; A261-L265 PolarHBondContact O-N 3.29Å; A262-L265 PolarHBondContact O-N 2.93Å; L265-A267 PolarHBondContact O-N 3.42Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-Y269 HydrophobicContact CD2-CD2 4.21Å; L265-Y269 HydrophobicContact CD2-CE2 4.15Å; L265-Y269 WeakPolarHBondContact O-CB 3.33Å; L265-Y269 VanDerWaalsContact O-CD2 3.32Å; L265-Y269 WeakPolarHBondContact O-CD2 3.33Å; L265-Y269 PolarHBondContact O-N 3.44Å; L265-W273 VanDerWaalsContact C-CD1 3.44Å; L265-W273 HydrophobicContact CB-CB 4.25Å; L265-W273 HydrophobicContact CB-CD2 3.62Å; L265-W273 HydrophobicContact CB-CE3 4.27Å; L265-W273 HydrophobicContact CB-CG 3.58Å; L265-W273 HydrophobicContact CB-CZ2 4.45Å; L265-W273 HydrophobicContact CD1-CD2 3.9Å; L265-W273 HydrophobicContact CD1-CE3 3.65Å; L265-W273 HydrophobicContact CD1-CG 4.44Å; L265-W273 HydrophobicContact CD1-CH2 4.49Å; L265-W273 HydrophobicContact CD1-CZ3 3.97Å; L265-W273 HydrophobicContact CG-CD2 4.37Å
266T87Confident81.8Confident54 Ų5453 Ų5333%0.33126%0.256SS..Hα-helixtrans-69-34179.3-50.40000112.1A262 L268 E270 W273A262-T266 WeakPolarHBondContact O-CB 3.35Å; A262-T266 PolarHBondContact O-N 3.42Å; A262-T266 PolarHBondContact O-OG1 3.43Å; T266-L268 VanDerWaalsContact C-N 3.29Å; T266-L268 PolarHBondContact O-N 2.96Å; T266-E270 WeakPolarHBondContact CA-O 3.41Å; T266-E270 WeakPolarHBondContact O-CA 3.27Å; T266-E270 PolarHBondContact O-N 3.49Å; T266-W273 PolarHBondContact OG1-NE1 3.02Å
267A85.9Confident82.9Confident13 Ų1352.5 Ų52.511%0.10726%0.258CS..Hα-helixtrans-56.2-39.4174.100000113.2D263 L265 W332 P335D263-A267 VanDerWaalsContact O-CB 3.24Å; D263-A267 WeakPolarHBondContact O-CB 3.44Å; D263-A267 PolarHBondContact O-N 2.82Å; L265-A267 PolarHBondContact O-N 3.42Å; A267-W332 CarbonylContact C-O 3.56Å; A267-W332 HydrophobicContact CB-CB 3.81Å; A267-W332 WeakPolarHBondContact O-CA 3.3Å; A267-W332 WeakPolarHBondContact O-CB 3.46Å; A267-W332 PolarHBondContact O-N 3.16Å; A267-P335 HydrophobicContact CB-CG 4.13Å
268L87.7Confident83.7Confident0 Ų049.6 Ų49.60%025%0.246CC..Hα-helixtrans-97.5-31.4-175.7-17559.6000114W229 L265 T266 F287 Y333 L336W229-L268 HydrophobicContact CZ2-CD2 3.7Å; L265-L268 PolarHBondContact O-N 3.36Å; T266-L268 VanDerWaalsContact C-N 3.29Å; T266-L268 PolarHBondContact O-N 2.96Å; L268-F287 HydrophobicContact CD2-CE1 4.07Å; L268-Y333 HydrophobicContact CD1-CD1 3.65Å; L268-Y333 HydrophobicContact CD1-CE1 3.76Å; L268-L336 HydrophobicContact CD1-CD1 3.87Å; L268-L336 HydrophobicContact CD2-CD1 3.86Å; L268-L336 HydrophobicContact CD2-CD2 3.89Å; L268-L336 HydrophobicContact CD2-CG 3.96Å
269Y88.9Confident84.2Confident3 Ų352.9 Ų52.91%0.01226%0.264CS..Hα-helixtrans-121.75.9-168-55.2-68.6000114.6W229 L233 L265 D271 E272 W273 L281 Y286W229-Y269 HydrophobicContact CZ2-CE2 4.11Å; W229-Y269 PolarHBondContact NE1-OH 2.97Å; W229-Y269 VanDerWaalsContact NE1-OH 3.08Å; L233-Y269 HydrophobicContact CD2-CE2 3.88Å; L265-Y269 HydrophobicContact CD2-CD2 4.21Å; L265-Y269 HydrophobicContact CD2-CE2 4.15Å; L265-Y269 WeakPolarHBondContact O-CB 3.33Å; L265-Y269 VanDerWaalsContact O-CD2 3.32Å; L265-Y269 WeakPolarHBondContact O-CD2 3.33Å; L265-Y269 PolarHBondContact O-N 3.44Å; Y269-D271 PolarHBondContact O-N 3.4Å; Y269-E272 VanDerWaalsContact O-CB 3.3Å; Y269-E272 WeakPolarHBondContact O-CB 3.44Å; Y269-E272 PolarHBondContact O-N 3.26Å; Y269-W273 HydrophobicContact CD2-CB 4.2Å; Y269-W273 HydrophobicContact CG-CB 4.32Å; Y269-L281 HydrophobicContact CD1-CD2 3.57Å; Y269-L281 HydrophobicContact CD2-CD2 4.05Å; Y269-L281 HydrophobicContact CE1-CB 3.95Å; Y269-L281 HydrophobicContact CE1-CD2 3.8Å; Y269-L281 HydrophobicContact CE1-CG 4.47Å; Y269-L281 WeakPolarHBondContact CE1-O 3.44Å; Y269-L281 HydrophobicContact CE2-CB 4.27Å; Y269-L281 HydrophobicContact CE2-CD2 4.26Å; Y269-L281 HydrophobicContact CG-CD2 3.7Å; Y269-L281 PolarHBondContact OH-O 2.83Å; Y269-Y286 AromaticContact CD1-CD1 3.55Å; Y269-Y286 HydrophobicContact CD1-CD1 3.55Å; Y269-Y286 AromaticContact CD1-CD2 3.9Å; Y269-Y286 HydrophobicContact CD1-CD2 3.9Å; Y269-Y286 AromaticContact CD1-CE1 3.82Å; Y269-Y286 HydrophobicContact CD1-CE1 3.82Å; Y269-Y286 HydrophobicContact CD1-CE2 4.12Å; Y269-Y286 AromaticContact CD1-CG 3.61Å; Y269-Y286 HydrophobicContact CD1-CG 3.61Å; Y269-Y286 HydrophobicContact CE1-CD1 4.06Å; Y269-Y286 AromaticContact CE1-CD2 3.65Å; Y269-Y286 HydrophobicContact CE1-CD2 3.65Å; Y269-Y286 HydrophobicContact CE1-CE2 4.17Å; Y269-Y286 AromaticContact CE1-CG 3.59Å; Y269-Y286 HydrophobicContact CE1-CG 3.59Å
270E85.8Confident84.8Confident95 Ų9552.1 Ų52.144%0.44426%0.261SS..THydrogen-bonded Turntrans52.3-136.1-172.6-58.9177.6-152.600109.9T266 E272 W273T266-E270 WeakPolarHBondContact CA-O 3.41Å; T266-E270 WeakPolarHBondContact O-CA 3.27Å; T266-E270 PolarHBondContact O-N 3.49Å; E270-E272 VanDerWaalsContact C-N 3.33Å; E270-W273 PolarHBondContact O-NE1 3.34Å
271D85.1Confident85.5Confident101 Ų10151.2 Ų51.254%0.5426%0.256SS..THydrogen-bonded Turntrans-82.5-6.7174.4-90.6-19.3000114.1Y269 W273 K274Y269-D271 PolarHBondContact O-N 3.4Å; D271-W273 PolarHBondContact O-N 2.88Å; D271-W273 VanDerWaalsContact O-N 3.16Å; D271-K274 HydrophobicContact CB-CD 4.46Å; D271-K274 VanDerWaalsContact CG-NZ 3.32Å; D271-K274 PolarHBondContact O-N 3.12Å; D271-K274 VanDerWaalsContact OD1-CE 3.27Å; D271-K274 WeakPolarHBondContact OD1-CE 3.38Å; D271-K274 IonicContact OD1-NZ 2.81Å; D271-K274 PolarHBondContact OD1-NZ 3.16Å; D271-K274 IonicContact OD2-NZ 2.64Å
272E85.6Confident86Confident92 Ų9252.8 Ų52.843%0.4326%0.263SS..G310 helixtrans-65.7-23.3-169.7-63.1-164.5176.500114.4Y269 E270 K274 K276 Y286Y269-E272 VanDerWaalsContact O-CB 3.3Å; Y269-E272 WeakPolarHBondContact O-CB 3.44Å; Y269-E272 PolarHBondContact O-N 3.26Å; E270-E272 VanDerWaalsContact C-N 3.33Å; E272-K274 PolarHBondContact O-N 2.89Å; E272-K276 HydrophobicContact CB-CD 4.32Å; E272-K276 VanDerWaalsContact O-CD 3.22Å; E272-K276 WeakPolarHBondContact O-CD 3.34Å; E272-K276 WeakPolarHBondContact O-CE 3.42Å; E272-K276 VanDerWaalsContact O-CG 3.3Å; E272-K276 WeakPolarHBondContact O-CG 3.49Å; E272-K276 IonicContact OE2-NZ 2.65Å; E272-K276 PolarHBondContact OE2-NZ 3.39Å; E272-Y286 VanDerWaalsContact OE2-CE1 3.28Å; E272-Y286 WeakPolarHBondContact OE2-CE1 3.49Å; E272-Y286 PolarHBondContact OE2-OH 2.75Å
273W86.6Confident86.3Confident9 Ų955.9 Ų55.93%0.03428%0.275CS..G310 helixtrans-67.5-22-177.365-98.4000113.5L237 I240 A262 L265 T266 Y269 E270 D271 E275 K276 L281L237-W273 HydrophobicContact CD2-CE3 4.48Å; I240-W273 HydrophobicContact CB-CZ3 4.34Å; I240-W273 HydrophobicContact CD1-CH2 4.06Å; I240-W273 HydrophobicContact CD1-CZ3 4.44Å; I240-W273 HydrophobicContact CG1-CH2 4.01Å; I240-W273 HydrophobicContact CG1-CZ3 3.88Å; I240-W273 HydrophobicContact CG2-CH2 4.12Å; I240-W273 HydrophobicContact CG2-CZ3 3.89Å; A262-W273 HydrophobicContact CB-CH2 4.39Å; A262-W273 HydrophobicContact CB-CZ2 4.07Å; L265-W273 VanDerWaalsContact C-CD1 3.44Å; L265-W273 HydrophobicContact CB-CB 4.25Å; L265-W273 HydrophobicContact CB-CD2 3.62Å; L265-W273 HydrophobicContact CB-CE3 4.27Å; L265-W273 HydrophobicContact CB-CG 3.58Å; L265-W273 HydrophobicContact CB-CZ2 4.45Å; L265-W273 HydrophobicContact CD1-CD2 3.9Å; L265-W273 HydrophobicContact CD1-CE3 3.65Å; L265-W273 HydrophobicContact CD1-CG 4.44Å; L265-W273 HydrophobicContact CD1-CH2 4.49Å; L265-W273 HydrophobicContact CD1-CZ3 3.97Å; L265-W273 HydrophobicContact CG-CD2 4.37Å; T266-W273 PolarHBondContact OG1-NE1 3.02Å; Y269-W273 HydrophobicContact CD2-CB 4.2Å; Y269-W273 HydrophobicContact CG-CB 4.32Å; E270-W273 PolarHBondContact O-NE1 3.34Å; D271-W273 PolarHBondContact O-N 2.88Å; D271-W273 VanDerWaalsContact O-N 3.16Å; W273-E275 PolarHBondContact O-N 3.48Å; W273-K276 PolarHBondContact O-N 3.38Å; W273-L281 HydrophobicContact CB-CD1 3.98Å; W273-L281 HydrophobicContact CB-CD2 4Å
274K86.4Confident86.6Confident123 Ų12358.7 Ų58.754%0.53529%0.294SS..G310 helixtrans-61.8-26.5-174.8-69.1170.3174.31710113.4D271 E272D271-K274 HydrophobicContact CB-CD 4.46Å; D271-K274 VanDerWaalsContact CG-NZ 3.32Å; D271-K274 PolarHBondContact O-N 3.12Å; D271-K274 VanDerWaalsContact OD1-CE 3.27Å; D271-K274 WeakPolarHBondContact OD1-CE 3.38Å; D271-K274 IonicContact OD1-NZ 2.81Å; D271-K274 PolarHBondContact OD1-NZ 3.16Å; D271-K274 IonicContact OD2-NZ 2.64Å; E272-K274 PolarHBondContact O-N 2.89Å
275E84.2Confident86.9Confident185 Ų18561.8 Ų61.886%0.86431%0.308SS*.G310 helixtrans-1125.6-176.3-59-171.9159.200113.6W273W273-E275 PolarHBondContact O-N 3.48Å
276K85.7Confident86.8Confident55 Ų5562.3 Ų62.324%0.23931%0.31CS..  trans-117.5151-165.5-67.7179.7-170.1-176.30114.2E272 W273 Q280 L281 Y286E272-K276 HydrophobicContact CB-CD 4.32Å; E272-K276 VanDerWaalsContact O-CD 3.22Å; E272-K276 WeakPolarHBondContact O-CD 3.34Å; E272-K276 WeakPolarHBondContact O-CE 3.42Å; E272-K276 VanDerWaalsContact O-CG 3.3Å; E272-K276 WeakPolarHBondContact O-CG 3.49Å; E272-K276 IonicContact OE2-NZ 2.65Å; E272-K276 PolarHBondContact OE2-NZ 3.39Å; W273-K276 PolarHBondContact O-N 3.38Å; K276-Q280 HydrophobicContact CB-CB 4.12Å; K276-Q280 HydrophobicContact CG-CB 4.5Å; K276-L281 HydrophobicContact CB-CD1 4.32Å; K276-L281 HydrophobicContact CB-CD2 4Å; K276-L281 HydrophobicContact CB-CG 3.91Å; K276-L281 HydrophobicContact CD-CD2 4.24Å; K276-Y286 PolarHBondContact NZ-OH 3.15Å
277S85.3Confident87Confident42 Ų4259.8 Ų59.829%0.29429%0.294SS..  trans-82.4169.7173.984.80000111.9E279 Q280 L281S277-E279 VanDerWaalsContact C-N 3.32Å; S277-E279 WeakPolarHBondContact CB-OE2 3.31Å; S277-E279 PolarHBondContact O-N 3.35Å; S277-E279 PolarHBondContact OG-OE2 3.2Å; S277-Q280 PolarHBondContact O-N 3.3Å; S277-Q280 PolarHBondContact OG-N 2.92Å; S277-L281 WeakPolarHBondContact O-CG 3.32Å; S277-L281 PolarHBondContact O-N 3.05Å; S277-L281 VanDerWaalsContact O-N 3.09Å
278C83Confident87.2Confident21 Ų2166.7 Ų66.714%0.14232%0.322CS..Hα-helixtrans-61.2-44.6178.6-163.90000110.9L233 L237 Q280 L281 M282L233-C278 WeakPolarHBondContact CB-SG 3.29Å; L237-C278 HydrophobicContact CD1-CB 4.32Å; C278-Q280 VanDerWaalsContact C-N 3.31Å; C278-Q280 PolarHBondContact O-N 2.96Å; C278-L281 CarbonylContact O-C 3.6Å; C278-L281 PolarHBondContact O-N 3.21Å; C278-M282 WeakPolarHBondContact O-CG 3.45Å; C278-M282 PolarHBondContact O-N 3.15Å
279E84.9Confident87.2Confident133 Ų13371.9 Ų71.962%0.62135%0.346SS*.Hα-helixtrans-61.3-38.3179.4-50.283.6170.400111.7S277 M282S277-E279 VanDerWaalsContact C-N 3.32Å; S277-E279 WeakPolarHBondContact CB-OE2 3.31Å; S277-E279 PolarHBondContact O-N 3.35Å; S277-E279 PolarHBondContact OG-OE2 3.2Å; E279-M282 PolarHBondContact O-N 2.86Å
280Q87.3Confident87.3Confident85 Ų8571.7 Ų71.740%0.39735%0.345SS..Hα-helixtrans-70.5-32.7175.1-70.7176.1-41.100112.5K276 S277 C278 E283 Y286K276-Q280 HydrophobicContact CB-CB 4.12Å; K276-Q280 HydrophobicContact CG-CB 4.5Å; S277-Q280 PolarHBondContact O-N 3.3Å; S277-Q280 PolarHBondContact OG-N 2.92Å; C278-Q280 VanDerWaalsContact C-N 3.31Å; C278-Q280 PolarHBondContact O-N 2.96Å; Q280-E283 WeakPolarHBondContact O-CB 3.35Å; Q280-E283 VanDerWaalsContact O-CG 3.32Å; Q280-E283 WeakPolarHBondContact O-CG 3.46Å; Q280-E283 PolarHBondContact O-N 3.36Å; Q280-Y286 WeakPolarHBondContact O-CE2 3.47Å
281L89.4Confident87.6Confident0 Ų070.2 Ų70.20%034%0.344CS..Hα-helixtrans-81.1-15.6178.1-67.6170.8000113.2L233 L237 Y269 W273 K276 S277 C278 E283 Y286L233-L281 HydrophobicContact CD1-CB 4.32Å; L237-L281 HydrophobicContact CD1-CD1 4.33Å; L237-L281 HydrophobicContact CD2-CD1 4.46Å; Y269-L281 HydrophobicContact CD1-CD2 3.57Å; Y269-L281 HydrophobicContact CD2-CD2 4.05Å; Y269-L281 HydrophobicContact CE1-CB 3.95Å; Y269-L281 HydrophobicContact CE1-CD2 3.8Å; Y269-L281 HydrophobicContact CE1-CG 4.47Å; Y269-L281 WeakPolarHBondContact CE1-O 3.44Å; Y269-L281 HydrophobicContact CE2-CB 4.27Å; Y269-L281 HydrophobicContact CE2-CD2 4.26Å; Y269-L281 HydrophobicContact CG-CD2 3.7Å; Y269-L281 PolarHBondContact OH-O 2.83Å; W273-L281 HydrophobicContact CB-CD1 3.98Å; W273-L281 HydrophobicContact CB-CD2 4Å; K276-L281 HydrophobicContact CB-CD1 4.32Å; K276-L281 HydrophobicContact CB-CD2 4Å; K276-L281 HydrophobicContact CB-CG 3.91Å; K276-L281 HydrophobicContact CD-CD2 4.24Å; S277-L281 WeakPolarHBondContact O-CG 3.32Å; S277-L281 PolarHBondContact O-N 3.05Å; S277-L281 VanDerWaalsContact O-N 3.09Å; C278-L281 CarbonylContact O-C 3.6Å; C278-L281 PolarHBondContact O-N 3.21Å; L281-E283 VanDerWaalsContact C-N 3.32Å; L281-Y286 HydrophobicContact CD2-CE2 4.28Å
282M90.9Very high88Confident34 Ų3467.5 Ų67.517%0.16733%0.328CS..THydrogen-bonded Turntrans-85.31.7168-67.7-60.6-77.300113.5P226 E230 L233 C278 E279 T284 F287P226-M282 HydrophobicContact CB-CE 4.03Å; P226-M282 WeakPolarHBondContact O-CE 3.26Å; E230-M282 HydrophobicContact CB-CE 4.31Å; E230-M282 HydrophobicContact CG-CG 4.48Å; L233-M282 HydrophobicContact CD1-CG 3.95Å; L233-M282 HydrophobicContact CD1-SD 3.64Å; C278-M282 WeakPolarHBondContact O-CG 3.45Å; C278-M282 PolarHBondContact O-N 3.15Å; E279-M282 PolarHBondContact O-N 2.86Å; M282-T284 PolarHBondContact O-N 3.37Å; M282-F287 HydrophobicContact SD-CZ 4.44Å
283E88.4Confident88.3Confident78 Ų7863.1 Ų63.136%0.36431%0.307SS..SBendtrans-61.8135.9175.3-76.3-178.8-114.600112.9Q280 L281 K285 Y286 F287Q280-E283 WeakPolarHBondContact O-CB 3.35Å; Q280-E283 VanDerWaalsContact O-CG 3.32Å; Q280-E283 WeakPolarHBondContact O-CG 3.46Å; Q280-E283 PolarHBondContact O-N 3.36Å; L281-E283 VanDerWaalsContact C-N 3.32Å; E283-K285 HydrophobicContact CB-CD 4.13Å; E283-K285 HydrophobicContact CB-CG 4Å; E283-K285 PolarHBondContact O-N 3.11Å; E283-K285 IonicContact OE1-NZ 2.83Å; E283-K285 PolarHBondContact OE1-NZ 3.27Å; E283-K285 WeakPolarHBondContact OE2-CD 3.41Å; E283-K285 VanDerWaalsContact OE2-CE 3.28Å; E283-K285 WeakPolarHBondContact OE2-CE 3.29Å; E283-K285 IonicContact OE2-NZ 3.22Å; E283-K285 PolarHBondContact OE2-NZ 2.7Å; E283-Y286 HydrophobicContact CB-CD2 4.49Å; E283-Y286 HydrophobicContact CB-CE2 4.49Å; E283-Y286 WeakPolarHBondContact O-CD2 3.22Å; E283-Y286 PolarHBondContact O-N 2.65Å; E283-Y286 VanDerWaalsContact O-N 3.14Å; E283-F287 WeakPolarHBondContact O-CD2 3.41Å
284T88Confident88.4Confident101 Ų10165.6 Ų65.662%0.6232%0.321SS*.THydrogen-bonded Turntrans-55.9-18.4-176.763.50000114.7M282 Y286 F287 L294M282-T284 PolarHBondContact O-N 3.37Å; T284-Y286 PolarHBondContact O-N 3.23Å; T284-F287 PolarHBondContact O-N 3.4Å; T284-L294 HydrophobicContact CG2-CD1 3.91Å
285K89.6Confident88.5Confident74 Ų7464.1 Ų64.132%0.32233%0.325SS..THydrogen-bonded Turntrans-58.7-29.9176.270.9-167.5175.3-156.40114E283E283-K285 HydrophobicContact CB-CD 4.13Å; E283-K285 HydrophobicContact CB-CG 4Å; E283-K285 PolarHBondContact O-N 3.11Å; E283-K285 IonicContact OE1-NZ 2.83Å; E283-K285 PolarHBondContact OE1-NZ 3.27Å; E283-K285 WeakPolarHBondContact OE2-CD 3.41Å; E283-K285 VanDerWaalsContact OE2-CE 3.28Å; E283-K285 WeakPolarHBondContact OE2-CE 3.29Å; E283-K285 IonicContact OE2-NZ 3.22Å; E283-K285 PolarHBondContact OE2-NZ 2.7Å
286Y87.5Confident88.6Confident10 Ų1058.7 Ų58.74%0.03931%0.308CS..SBendtrans-76.4-35.9-179.9-65-64.7000112.5Y269 E272 K276 Q280 L281 E283 T284 K331Y269-Y286 AromaticContact CD1-CD1 3.55Å; Y269-Y286 HydrophobicContact CD1-CD1 3.55Å; Y269-Y286 AromaticContact CD1-CD2 3.9Å; Y269-Y286 HydrophobicContact CD1-CD2 3.9Å; Y269-Y286 AromaticContact CD1-CE1 3.82Å; Y269-Y286 HydrophobicContact CD1-CE1 3.82Å; Y269-Y286 HydrophobicContact CD1-CE2 4.12Å; Y269-Y286 AromaticContact CD1-CG 3.61Å; Y269-Y286 HydrophobicContact CD1-CG 3.61Å; Y269-Y286 HydrophobicContact CE1-CD1 4.06Å; Y269-Y286 AromaticContact CE1-CD2 3.65Å; Y269-Y286 HydrophobicContact CE1-CD2 3.65Å; Y269-Y286 HydrophobicContact CE1-CE2 4.17Å; Y269-Y286 AromaticContact CE1-CG 3.59Å; Y269-Y286 HydrophobicContact CE1-CG 3.59Å; E272-Y286 VanDerWaalsContact OE2-CE1 3.28Å; E272-Y286 WeakPolarHBondContact OE2-CE1 3.49Å; E272-Y286 PolarHBondContact OE2-OH 2.75Å; K276-Y286 PolarHBondContact NZ-OH 3.15Å; Q280-Y286 WeakPolarHBondContact O-CE2 3.47Å; L281-Y286 HydrophobicContact CD2-CE2 4.28Å; E283-Y286 HydrophobicContact CB-CD2 4.49Å; E283-Y286 HydrophobicContact CB-CE2 4.49Å; E283-Y286 WeakPolarHBondContact O-CD2 3.22Å; E283-Y286 PolarHBondContact O-N 2.65Å; E283-Y286 VanDerWaalsContact O-N 3.14Å; T284-Y286 PolarHBondContact O-N 3.23Å; Y286-K331 PolarHBondContact O-NZ 3.11Å
287F91Very high88.8Confident1 Ų159.5 Ų59.50%0.00432%0.317CS..SBendtrans-95.112.1-169.6-47.4-80000114.1L268 M282 E283 T284 E289 I290 F293 L294 L336L268-F287 HydrophobicContact CD2-CE1 4.07Å; M282-F287 HydrophobicContact SD-CZ 4.44Å; E283-F287 WeakPolarHBondContact O-CD2 3.41Å; T284-F287 PolarHBondContact O-N 3.4Å; F287-E289 PolarHBondContact O-N 3.08Å; F287-E289 VanDerWaalsContact O-N 3.09Å; F287-I290 HydrophobicContact CB-CG1 4.18Å; F287-I290 HydrophobicContact CD1-CD1 4.06Å; F287-I290 CarbonylContact O-C 3.54Å; F287-I290 WeakPolarHBondContact O-CA 3.48Å; F287-I290 PolarHBondContact O-N 3.07Å; F287-F293 HydrophobicContact CB-CD1 4.49Å; F287-F293 AromaticContact CD1-CD1 3.37Å; F287-F293 HydrophobicContact CD1-CD1 3.37Å; F287-F293 AromaticContact CD1-CE1 3.54Å; F287-F293 HydrophobicContact CD1-CE1 3.54Å; F287-F293 HydrophobicContact CD1-CG 4.49Å; F287-F293 AromaticContact CE1-CD1 3.68Å; F287-F293 HydrophobicContact CE1-CD1 3.68Å; F287-F293 AromaticContact CE1-CE1 3.3Å; F287-F293 HydrophobicContact CE1-CE1 3.3Å; F287-F293 HydrophobicContact CE1-CZ 4.26Å; F287-F293 HydrophobicContact CE2-CE1 4.44Å; F287-F293 AromaticContact CG-CD1 3.94Å; F287-F293 HydrophobicContact CG-CD1 3.94Å; F287-F293 HydrophobicContact CG-CE1 4.21Å; F287-F293 HydrophobicContact CZ-CD1 4.46Å; F287-F293 AromaticContact CZ-CE1 3.8Å; F287-F293 HydrophobicContact CZ-CE1 3.8Å; F287-L294 HydrophobicContact CB-CD1 3.98Å; F287-L294 HydrophobicContact CB-CD2 4.49Å; F287-L294 HydrophobicContact CB-CG 4.07Å; F287-L294 HydrophobicContact CD2-CD1 4.34Å; F287-L294 HydrophobicContact CD2-CD2 3.92Å; F287-L294 HydrophobicContact CD2-CG 4.39Å; F287-L294 HydrophobicContact CE2-CD2 4.41Å; F287-L294 HydrophobicContact CG-CD1 4.46Å; F287-L294 HydrophobicContact CG-CD2 4.18Å; F287-L294 HydrophobicContact CG-CG 4.3Å; F287-L336 HydrophobicContact CD1-CD1 4.03Å; F287-L336 HydrophobicContact CE1-CD1 3.88Å; F287-L336 HydrophobicContact CE1-CD2 4.49Å
288K89.1Confident89.1Confident159 Ų15959.7 Ų59.769%0.69132%0.319SS*.THydrogen-bonded Turntrans-55.6-27.8-175.7-74-178172.3-179.40115.6
289E87.6Confident89.7Confident108 Ų10860 Ų6051%0.50532%0.317SS..THydrogen-bonded Turntrans-88.1-16.1178-65.4162.1-129.300112.5F287 P291 K299 Y333F287-E289 PolarHBondContact O-N 3.08Å; F287-E289 VanDerWaalsContact O-N 3.09Å; E289-P291 VanDerWaalsContact C-CD 3.44Å; E289-K299 WeakPolarHBondContact O-CE 3.44Å; E289-K299 PolarHBondContact O-NZ 2.8Å; E289-Y333 HydrophobicContact CB-CE2 4.46Å; E289-Y333 WeakPolarHBondContact CB-OH 3.31Å; E289-Y333 PolarHBondContact OE1-OH 2.69Å; E289-Y333 PolarHBondContact OE2-OH 2.74Å
290I91.6Very high90.2Very high0 Ų057.1 Ų57.10%031%0.31CS..  trans-131.252.9-177.753.6157.7000111.6F223 F287 E292 F293 K299 Y316 Y333 L336F223-I290 HydrophobicContact CE1-CD1 4.29Å; F223-I290 HydrophobicContact CE1-CG2 4.36Å; F223-I290 HydrophobicContact CZ-CB 4.04Å; F223-I290 HydrophobicContact CZ-CG2 3.89Å; F287-I290 HydrophobicContact CB-CG1 4.18Å; F287-I290 HydrophobicContact CD1-CD1 4.06Å; F287-I290 CarbonylContact O-C 3.54Å; F287-I290 WeakPolarHBondContact O-CA 3.48Å; F287-I290 PolarHBondContact O-N 3.07Å; I290-E292 VanDerWaalsContact CA-OE2 3.25Å; I290-E292 WeakPolarHBondContact CA-OE2 3.14Å; I290-E292 PolarHBondContact O-N 2.89Å; I290-F293 HydrophobicContact CD1-CB 4.24Å; I290-F293 WeakPolarHBondContact O-CB 3.37Å; I290-F293 PolarHBondContact O-N 2.81Å; I290-F293 VanDerWaalsContact O-N 3.13Å; I290-K299 HydrophobicContact CG2-CD 4.34Å; I290-Y316 HydrophobicContact CG2-CE1 3.87Å; I290-Y333 HydrophobicContact CD1-CD1 3.38Å; I290-Y333 HydrophobicContact CD1-CE1 3.67Å; I290-Y333 HydrophobicContact CD1-CG 4.08Å; I290-Y333 HydrophobicContact CG1-CD1 4.01Å; I290-Y333 HydrophobicContact CG1-CE1 3.83Å; I290-Y333 HydrophobicContact CG2-CD1 4.44Å; I290-Y333 HydrophobicContact CG2-CD2 4.18Å; I290-Y333 HydrophobicContact CG2-CE2 4.26Å; I290-Y333 HydrophobicContact CG2-CG 4.28Å; I290-L336 HydrophobicContact CD1-CD1 3.42Å; I290-L336 VanDerWaalsContact CD1-CD1 3.42Å
291P91.5Very high90.5Very high63 Ų6354.7 Ų54.741%0.40930%0.299SS..Hα-helixtrans-58.7-22.1179.727.3-36.5000112.9E289 F293 L294 C295E289-P291 VanDerWaalsContact C-CD 3.44Å; P291-F293 PolarHBondContact O-N 3.48Å; P291-L294 PolarHBondContact O-N 2.63Å; P291-C295 PolarHBondContact O-N 3.43Å
292E94Very high90.7Very high44 Ų4458.3 Ų58.321%0.20632%0.321CS..Hα-helixtrans-59.5-33.5177.5-54.986.4173.200112.5F223 I290 L294 C295 S296 T297 K299F223-E292 HydrophobicContact CE2-CB 4.26Å; I290-E292 VanDerWaalsContact CA-OE2 3.25Å; I290-E292 WeakPolarHBondContact CA-OE2 3.14Å; I290-E292 PolarHBondContact O-N 2.89Å; E292-L294 PolarHBondContact O-N 3.48Å; E292-C295 CarbonylContact O-C 3.56Å; E292-C295 PolarHBondContact O-N 3.27Å; E292-S296 PolarHBondContact O-N 3.46Å; E292-S296 VanDerWaalsContact O-N 3.08Å; E292-T297 CarbonylContact C-O 3.42Å; E292-T297 WeakPolarHBondContact CA-OG1 3.33Å; E292-T297 WeakPolarHBondContact CB-O 3.45Å; E292-T297 WeakPolarHBondContact CB-OG1 3.16Å; E292-T297 PolarHBondContact O-N 3.45Å; E292-T297 PolarHBondContact O-OG1 2.97Å; E292-K299 HydrophobicContact CB-CB 4.21Å; E292-K299 HydrophobicContact CG-CB 3.97Å; E292-K299 HydrophobicContact CG-CG 4.28Å; E292-K299 IonicContact OE1-NZ 3.95Å; E292-K299 PolarHBondContact OE1-NZ 3.26Å; E292-K299 IonicContact OE2-NZ 2.87Å; E292-K299 PolarHBondContact OE2-NZ 3.05Å
293F92.5Very high90.9Very high0 Ų058.3 Ų58.30%032%0.32CS..Hα-helixtrans-58.8-47.5174.5163.1-110.8000111.8F223 I224 P226 W229 F287 I290 P291 C295 S296 L336F223-F293 HydrophobicContact CB-CB 4.33Å; F223-F293 HydrophobicContact CB-CD2 3.87Å; F223-F293 HydrophobicContact CD1-CB 4.37Å; F223-F293 HydrophobicContact CD2-CB 4.06Å; F223-F293 HydrophobicContact CE2-CB 4.48Å; F223-F293 HydrophobicContact CG-CB 4Å; F223-F293 HydrophobicContact CG-CD2 4.36Å; I224-F293 HydrophobicContact CG1-CE2 4.34Å; I224-F293 WeakPolarHBondContact O-CD2 3.44Å; I224-F293 WeakPolarHBondContact O-CE2 3.07Å; P226-F293 HydrophobicContact CB-CZ 4.26Å; P226-F293 HydrophobicContact CG-CE2 4.31Å; P226-F293 HydrophobicContact CG-CZ 4.31Å; P226-F293 VanDerWaalsContact CG-O 3.3Å; P226-F293 WeakPolarHBondContact CG-O 3.46Å; W229-F293 HydrophobicContact CB-CE2 4.26Å; W229-F293 HydrophobicContact CB-CZ 3.86Å; W229-F293 AromaticContact CD1-CZ 3.95Å; W229-F293 HydrophobicContact CG-CZ 4.13Å; F287-F293 HydrophobicContact CB-CD1 4.49Å; F287-F293 AromaticContact CD1-CD1 3.37Å; F287-F293 HydrophobicContact CD1-CD1 3.37Å; F287-F293 AromaticContact CD1-CE1 3.54Å; F287-F293 HydrophobicContact CD1-CE1 3.54Å; F287-F293 HydrophobicContact CD1-CG 4.49Å; F287-F293 AromaticContact CE1-CD1 3.68Å; F287-F293 HydrophobicContact CE1-CD1 3.68Å; F287-F293 AromaticContact CE1-CE1 3.3Å; F287-F293 HydrophobicContact CE1-CE1 3.3Å; F287-F293 HydrophobicContact CE1-CZ 4.26Å; F287-F293 HydrophobicContact CE2-CE1 4.44Å; F287-F293 AromaticContact CG-CD1 3.94Å; F287-F293 HydrophobicContact CG-CD1 3.94Å; F287-F293 HydrophobicContact CG-CE1 4.21Å; F287-F293 HydrophobicContact CZ-CD1 4.46Å; F287-F293 AromaticContact CZ-CE1 3.8Å; F287-F293 HydrophobicContact CZ-CE1 3.8Å; I290-F293 HydrophobicContact CD1-CB 4.24Å; I290-F293 WeakPolarHBondContact O-CB 3.37Å; I290-F293 PolarHBondContact O-N 2.81Å; I290-F293 VanDerWaalsContact O-N 3.13Å; P291-F293 PolarHBondContact O-N 3.48Å; F293-C295 PolarHBondContact O-N 3.14Å; F293-S296 PolarHBondContact O-N 2.85Å; F293-L336 HydrophobicContact CD1-CD1 4.45Å; F293-L336 HydrophobicContact CE1-CD2 4.44Å; F293-L336 HydrophobicContact CE2-CD2 4.13Å; F293-L336 HydrophobicContact CZ-CD2 3.96Å
294L89.3Confident91.1Very high61 Ų6161.1 Ų61.132%0.31933%0.333SS..Hα-helixtrans-66.1-27.1179.9-63.4176.5000112.3T284 F287 P291 E292T284-L294 HydrophobicContact CG2-CD1 3.91Å; F287-L294 HydrophobicContact CB-CD1 3.98Å; F287-L294 HydrophobicContact CB-CD2 4.49Å; F287-L294 HydrophobicContact CB-CG 4.07Å; F287-L294 HydrophobicContact CD2-CD1 4.34Å; F287-L294 HydrophobicContact CD2-CD2 3.92Å; F287-L294 HydrophobicContact CD2-CG 4.39Å; F287-L294 HydrophobicContact CE2-CD2 4.41Å; F287-L294 HydrophobicContact CG-CD1 4.46Å; F287-L294 HydrophobicContact CG-CD2 4.18Å; F287-L294 HydrophobicContact CG-CG 4.3Å; P291-L294 PolarHBondContact O-N 2.63Å; E292-L294 PolarHBondContact O-N 3.48Å
295C87.2Confident91.3Very high92 Ų9257.9 Ų57.962%0.62232%0.315SS*.THydrogen-bonded Turntrans-85.2-4.2174.3-62.40000113.7P291 E292 F293 T297P291-C295 PolarHBondContact O-N 3.43Å; E292-C295 CarbonylContact O-C 3.56Å; E292-C295 PolarHBondContact O-N 3.27Å; F293-C295 PolarHBondContact O-N 3.14Å; C295-T297 HydrophobicContact CB-CG2 4.17Å; C295-T297 PolarHBondContact O-N 3.03Å
296S87.6Confident91.3Very high71 Ų7154.6 Ų54.650%0.49730%0.301SS..THydrogen-bonded Turntrans55.933.6-170.2-56.60000114.2P226 E292 F293P226-S296 VanDerWaalsContact CD-OG 3.31Å; P226-S296 WeakPolarHBondContact CD-OG 2.99Å; E292-S296 PolarHBondContact O-N 3.46Å; E292-S296 VanDerWaalsContact O-N 3.08Å; F293-S296 PolarHBondContact O-N 2.85Å
297T89.9Confident91.4Very high72 Ų7260 Ų6044%0.44233%0.325SS..  trans-108.7154.5177.2540000111.2E292 C295E292-T297 CarbonylContact C-O 3.42Å; E292-T297 WeakPolarHBondContact CA-OG1 3.33Å; E292-T297 WeakPolarHBondContact CB-O 3.45Å; E292-T297 WeakPolarHBondContact CB-OG1 3.16Å; E292-T297 PolarHBondContact O-N 3.45Å; E292-T297 PolarHBondContact O-OG1 2.97Å; C295-T297 HydrophobicContact CB-CG2 4.17Å; C295-T297 PolarHBondContact O-N 3.03Å
298S91.4Very high91.5Very high47 Ų4763.6 Ų63.633%0.32934%0.344SS..  trans-73.6156.3169.852.40000111.7E220 I221E220-S298 VanDerWaalsContact OE1-CB 3.26Å; E220-S298 WeakPolarHBondContact OE1-CB 3.29Å; E220-S298 PolarHBondContact OE1-OG 3.19Å; I221-S298 CarbonylContact O-C 3.53Å; I221-S298 VanDerWaalsContact O-CA 3.24Å; I221-S298 WeakPolarHBondContact O-CA 3.28Å; I221-S298 WeakPolarHBondContact O-CB 3.37Å
299K95.1Very high91.6Very high26 Ų2656 Ų5611%0.11331%0.311CS..EExtended strand (participates in β ladder)trans-110.8115.4175.4-178-175-158.2770109.6I221 F223 E289 I290 E292 L301I221-K299 HydrophobicContact CB-CB 4.35Å; I221-K299 HydrophobicContact CD1-CB 4.49Å; I221-K299 HydrophobicContact CD1-CD 4.3Å; I221-K299 PolarHBondContact N-O 3.16Å; I221-K299 PolarHBondContact O-N 2.97Å; F223-K299 HydrophobicContact CE2-CB 3.92Å; F223-K299 HydrophobicContact CZ-CB 4.38Å; E289-K299 WeakPolarHBondContact O-CE 3.44Å; E289-K299 PolarHBondContact O-NZ 2.8Å; I290-K299 HydrophobicContact CG2-CD 4.34Å; E292-K299 HydrophobicContact CB-CB 4.21Å; E292-K299 HydrophobicContact CG-CB 3.97Å; E292-K299 HydrophobicContact CG-CG 4.28Å; E292-K299 IonicContact OE1-NZ 3.95Å; E292-K299 PolarHBondContact OE1-NZ 3.26Å; E292-K299 IonicContact OE2-NZ 2.87Å; E292-K299 PolarHBondContact OE2-NZ 3.05Å; K299-L301 HydrophobicContact CD-CD2 4.5Å; K299-L301 HydrophobicContact CG-CD2 4.36Å
300T94.4Very high91.8Very high74 Ų7451.4 Ų51.445%0.45429%0.291SS..EExtended strand (participates in β ladder)trans-95.7133.2177.4-53.90000111
301L93.9Very high91.6Very high33 Ų3354.7 Ų54.717%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-123.3143.4175.7-55.3175000108.9E218 A219 I221 K299 F303 D312 Y316E218-L301 CarbonylContact C-O 3.55Å; E218-L301 VanDerWaalsContact CA-O 3.27Å; E218-L301 WeakPolarHBondContact CA-O 3.49Å; A219-L301 PolarHBondContact N-O 2.85Å; A219-L301 PolarHBondContact O-N 3.26Å; I221-L301 HydrophobicContact CD1-CD1 3.61Å; I221-L301 HydrophobicContact CD1-CG 4.16Å; K299-L301 HydrophobicContact CD-CD2 4.5Å; K299-L301 HydrophobicContact CG-CD2 4.36Å; L301-F303 HydrophobicContact CB-CD2 4.47Å; L301-F303 HydrophobicContact CB-CE2 3.46Å; L301-F303 VanDerWaalsContact CB-CE2 3.46Å; L301-F303 HydrophobicContact CB-CZ 3.77Å; L301-F303 HydrophobicContact CD1-CE2 4.44Å; L301-F303 HydrophobicContact CD1-CZ 4.2Å; L301-D312 WeakPolarHBondContact CD1-OD1 3.34Å; L301-Y316 HydrophobicContact CD1-CE2 4.03Å
302V94.9Very high91.5Very high76 Ų7654 Ų5446%0.46130%0.304SS..EExtended strand (participates in β ladder)trans-129.4136.3-175.2-167.70000109.9K216 Y217 E218K216-V302 HydrophobicContact CB-CG1 3.73Å; K216-V302 HydrophobicContact CD-CG1 4.01Å; K216-V302 HydrophobicContact CG-CG1 4.48Å; Y217-V302 CarbonylContact O-C 3.52Å; Y217-V302 WeakPolarHBondContact O-CA 3.49Å; E218-V302 HydrophobicContact CG-CG1 4.41Å; E218-V302 HydrophobicContact CG-CG2 4.3Å
303F94.3Very high91.3Very high35 Ų3551.9 Ų51.915%0.15429%0.294CS..EExtended strand (participates in β ladder)trans-141.9145.2-172.9-54.2-91.5000112.4Y217 L301 S305 D308 L309 D312Y217-F303 PolarHBondContact N-O 3.02Å; Y217-F303 PolarHBondContact O-N 3.29Å; L301-F303 HydrophobicContact CB-CD2 4.47Å; L301-F303 HydrophobicContact CB-CE2 3.46Å; L301-F303 VanDerWaalsContact CB-CE2 3.46Å; L301-F303 HydrophobicContact CB-CZ 3.77Å; L301-F303 HydrophobicContact CD1-CE2 4.44Å; L301-F303 HydrophobicContact CD1-CZ 4.2Å; F303-S305 VanDerWaalsContact C-N 3.28Å; F303-S305 PolarHBondContact O-N 3.28Å; F303-D308 HydrophobicContact CD1-CB 4.25Å; F303-L309 HydrophobicContact CB-CB 4.06Å; F303-L309 HydrophobicContact CD2-CB 3.49Å; F303-L309 VanDerWaalsContact CD2-CB 3.49Å; F303-L309 HydrophobicContact CD2-CD1 3.98Å; F303-L309 HydrophobicContact CD2-CG 3.77Å; F303-L309 HydrophobicContact CE2-CB 4Å; F303-L309 HydrophobicContact CE2-CD1 4.47Å; F303-L309 HydrophobicContact CE2-CG 3.98Å; F303-L309 HydrophobicContact CG-CB 3.79Å; F303-D312 HydrophobicContact CE1-CB 3.88Å; F303-D312 HydrophobicContact CZ-CB 3.7Å
304E91.9Very high91.1Very high137 Ų13752 Ų5264%0.6429%0.294SS*.SBendtrans-75.4-13.9174.5-43.8-57.9153.800113K216K216-E304 WeakPolarHBondContact CD-OE2 3.47Å; K216-E304 WeakPolarHBondContact CE-OE2 3.22Å; K216-E304 IonicContact NZ-OE1 3.39Å; K216-E304 PolarHBondContact NZ-OE1 3.16Å; K216-E304 IonicContact NZ-OE2 2.7Å; K216-E304 PolarHBondContact NZ-OE2 3.41Å
305S91.9Very high91Very high33 Ų3350.7 Ų50.723%0.23129%0.287CS..SBendtrans-144145.6-179.1100.60000114.2F303 K307 D308 L309F303-S305 VanDerWaalsContact C-N 3.28Å; F303-S305 PolarHBondContact O-N 3.28Å; S305-K307 PolarHBondContact O-N 3.13Å; S305-K307 PolarHBondContact OG-N 3.38Å; S305-D308 WeakPolarHBondContact CB-OD2 3.49Å; S305-D308 PolarHBondContact O-N 3.4Å; S305-D308 VanDerWaalsContact OG-CG 3.25Å; S305-D308 PolarHBondContact OG-N 2.81Å; S305-D308 PolarHBondContact OG-OD2 3.38Å; S305-L309 PolarHBondContact O-N 3.31Å; S305-L309 VanDerWaalsContact O-N 3.13Å
306A90.9Very high91.1Very high5 Ų546.6 Ų46.64%0.04126%0.258CS..Hα-helixtrans-53.7-33.717300000113L192 Y217 S310L192-A306 HydrophobicContact CB-CB 4.26Å; L192-A306 HydrophobicContact CD1-CB 3.88Å; Y217-A306 HydrophobicContact CD1-CB 4.06Å; Y217-A306 HydrophobicContact CE1-CB 3.58Å; A306-S310 WeakPolarHBondContact O-CB 3.34Å; A306-S310 PolarHBondContact O-N 2.9Å
307K90.3Very high90.9Very high122 Ų12243.2 Ų43.253%0.5323%0.234SC..Hα-helixtrans-72-40.9-178.4-175.3-155.2165.9-1460111.5S305 S310 T311S305-K307 PolarHBondContact O-N 3.13Å; S305-K307 PolarHBondContact OG-N 3.38Å; K307-S310 WeakPolarHBondContact O-CB 3.48Å; K307-S310 PolarHBondContact O-N 2.95Å; K307-T311 WeakPolarHBondContact O-CB 3.2Å; K307-T311 PolarHBondContact O-N 3.33Å; K307-T311 PolarHBondContact O-OG1 2.88Å
308D91.5Very high90.3Very high78 Ų7840 Ų4042%0.41721%0.214SC..Hα-helixtrans-76-38.2-176.8-54.3-49.3000110.4F303 S305 T311 D312F303-D308 HydrophobicContact CD1-CB 4.25Å; S305-D308 WeakPolarHBondContact CB-OD2 3.49Å; S305-D308 PolarHBondContact O-N 3.4Å; S305-D308 VanDerWaalsContact OG-CG 3.25Å; S305-D308 PolarHBondContact OG-N 2.81Å; S305-D308 PolarHBondContact OG-OD2 3.38Å; D308-T311 PolarHBondContact O-N 2.89Å; D308-D312 PolarHBondContact O-N 2.98Å; D308-D312 VanDerWaalsContact O-N 3.09Å
309L92.7Very high89.4Confident0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-52.5-56.2165.6-179.8154.4000111E218 A219 F303 S305 T311 D312 I313 V342E218-L309 WeakPolarHBondContact O-CD1 3.43Å; A219-L309 HydrophobicContact CB-CD1 4.12Å; A219-L309 HydrophobicContact CB-CG 4.2Å; F303-L309 HydrophobicContact CB-CB 4.06Å; F303-L309 HydrophobicContact CD2-CB 3.49Å; F303-L309 VanDerWaalsContact CD2-CB 3.49Å; F303-L309 HydrophobicContact CD2-CD1 3.98Å; F303-L309 HydrophobicContact CD2-CG 3.77Å; F303-L309 HydrophobicContact CE2-CB 4Å; F303-L309 HydrophobicContact CE2-CD1 4.47Å; F303-L309 HydrophobicContact CE2-CG 3.98Å; F303-L309 HydrophobicContact CG-CB 3.79Å; S305-L309 PolarHBondContact O-N 3.31Å; S305-L309 VanDerWaalsContact O-N 3.13Å; L309-T311 VanDerWaalsContact C-N 3.25Å; L309-T311 PolarHBondContact O-N 3.46Å; L309-D312 PolarHBondContact O-N 3.4Å; L309-D312 VanDerWaalsContact O-N 3.15Å; L309-I313 HydrophobicContact CD2-CD1 3.67Å; L309-I313 HydrophobicContact CD2-CG1 4.06Å; L309-I313 HydrophobicContact CD2-CG2 4.19Å; L309-I313 HydrophobicContact CG-CG2 4.37Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 WeakPolarHBondContact O-CG2 3.29Å; L309-I313 PolarHBondContact O-N 3.14Å; L309-V342 HydrophobicContact CD1-CG1 3.98Å; L309-V342 HydrophobicContact CD2-CG1 4.07Å; L309-V342 HydrophobicContact CD2-CG2 4.21Å
310S90.2Very high87.6Confident11 Ų1138 Ų388%0.07720%0.204CC..Hα-helixtrans-54-43.9-179.9-169.60000111.9N191 L192 P194 A306 K307 D312 I313 V314N191-S310 WeakPolarHBondContact O-CB 3.47Å; N191-S310 PolarHBondContact O-OG 3.48Å; L192-S310 WeakPolarHBondContact O-CB 3.29Å; L192-S310 PolarHBondContact O-OG 3.15Å; P194-S310 WeakPolarHBondContact CG-O 3.34Å; A306-S310 WeakPolarHBondContact O-CB 3.34Å; A306-S310 PolarHBondContact O-N 2.9Å; K307-S310 WeakPolarHBondContact O-CB 3.48Å; K307-S310 PolarHBondContact O-N 2.95Å; S310-D312 PolarHBondContact O-N 3.11Å; S310-I313 PolarHBondContact O-N 2.67Å; S310-V314 WeakPolarHBondContact O-CG2 3.47Å; S310-V314 PolarHBondContact O-N 3.37Å
311T87.6Confident85.6Confident68 Ų6838.1 Ų38.142%0.41721%0.211SC..Hα-helixtrans-63.6-40.5-179.7-550000112.1K307 D308 L309K307-T311 WeakPolarHBondContact O-CB 3.2Å; K307-T311 PolarHBondContact O-N 3.33Å; K307-T311 PolarHBondContact O-OG1 2.88Å; D308-T311 PolarHBondContact O-N 2.89Å; L309-T311 VanDerWaalsContact C-N 3.25Å; L309-T311 PolarHBondContact O-N 3.46Å
312D89.3Confident83.5Confident49 Ų4943 Ų4326%0.26223%0.231SC..Hα-helixtrans-78.3-37.4178.2-158.6-102.4000113L301 F303 D308 L309 S310 V314 K315L301-D312 WeakPolarHBondContact CD1-OD1 3.34Å; F303-D312 HydrophobicContact CE1-CB 3.88Å; F303-D312 HydrophobicContact CZ-CB 3.7Å; D308-D312 PolarHBondContact O-N 2.98Å; D308-D312 VanDerWaalsContact O-N 3.09Å; L309-D312 PolarHBondContact O-N 3.4Å; L309-D312 VanDerWaalsContact O-N 3.15Å; S310-D312 PolarHBondContact O-N 3.11Å; D312-V314 PolarHBondContact O-N 3.38Å; D312-K315 WeakPolarHBondContact O-CE 3.28Å; D312-K315 WeakPolarHBondContact O-CG 3.45Å; D312-K315 WeakPolarHBondContact OD1-CE 3.46Å; D312-K315 IonicContact OD1-NZ 2.7Å; D312-K315 PolarHBondContact OD1-NZ 3.34Å; D312-K315 IonicContact OD2-NZ 2.72Å; D312-K315 PolarHBondContact OD2-NZ 3.27Å
313I90.8Very high81.5Confident0 Ų040.9 Ų40.90%022%0.217CC..Hα-helixtrans-71.4-11.9-178.470.7165.3000114.4P194 A219 L309 S310 K315 Y316 T317 V342P194-I313 HydrophobicContact CG-CD1 4.33Å; P194-I313 HydrophobicContact CG-CG1 3.97Å; A219-I313 HydrophobicContact CB-CG2 3.5Å; A219-I313 VanDerWaalsContact CB-CG2 3.5Å; L309-I313 HydrophobicContact CD2-CD1 3.67Å; L309-I313 HydrophobicContact CD2-CG1 4.06Å; L309-I313 HydrophobicContact CD2-CG2 4.19Å; L309-I313 HydrophobicContact CG-CG2 4.37Å; L309-I313 WeakPolarHBondContact O-CG1 3.42Å; L309-I313 WeakPolarHBondContact O-CG2 3.29Å; L309-I313 PolarHBondContact O-N 3.14Å; S310-I313 PolarHBondContact O-N 2.67Å; I313-K315 PolarHBondContact O-N 3.23Å; I313-Y316 PolarHBondContact O-N 3.17Å; I313-T317 HydrophobicContact CB-CG2 4.45Å; I313-T317 HydrophobicContact CD1-CG2 4.31Å; I313-T317 WeakPolarHBondContact O-CB 3.43Å; I313-T317 WeakPolarHBondContact O-CG2 3.5Å; I313-T317 PolarHBondContact O-N 2.56Å; I313-T317 PolarHBondContact O-OG1 3.48Å; I313-V342 HydrophobicContact CD1-CG2 4.03Å
314V87.8Confident79.6Confident1 Ų147.6 Ų47.61%0.00625%0.249CC..Hα-helixtrans-49.9-44.2174156.90000111.9P194 S310 D312 Y316 T317 R318 Y326 I329 W332P194-V314 HydrophobicContact CB-CG2 3.7Å; P194-V314 HydrophobicContact CG-CG2 3.69Å; S310-V314 WeakPolarHBondContact O-CG2 3.47Å; S310-V314 PolarHBondContact O-N 3.37Å; D312-V314 PolarHBondContact O-N 3.38Å; V314-Y316 PolarHBondContact O-N 3.17Å; V314-T317 PolarHBondContact O-N 3.5Å; V314-R318 PolarHBondContact O-N 3.31Å; V314-Y326 HydrophobicContact CB-CE1 4.15Å; V314-Y326 HydrophobicContact CG1-CD1 3.79Å; V314-Y326 HydrophobicContact CG1-CE1 3.76Å; V314-Y326 HydrophobicContact CG1-CG 4.27Å; V314-Y326 HydrophobicContact CG2-CE1 3.92Å; V314-I329 HydrophobicContact CG1-CD1 4.25Å; V314-W332 HydrophobicContact CG1-CH2 3.61Å; V314-W332 HydrophobicContact CG1-CZ3 3.49Å; V314-W332 VanDerWaalsContact CG1-CZ3 3.49Å
315K87.3Confident78Confident35 Ų3548.1 Ų48.115%0.15226%0.257CS..Hα-helixtrans-66.7-17.5-178.773.1-154.8171.4-168.90114.8D312 I313 I329 W332 Y333 W334D312-K315 WeakPolarHBondContact O-CE 3.28Å; D312-K315 WeakPolarHBondContact O-CG 3.45Å; D312-K315 WeakPolarHBondContact OD1-CE 3.46Å; D312-K315 IonicContact OD1-NZ 2.7Å; D312-K315 PolarHBondContact OD1-NZ 3.34Å; D312-K315 IonicContact OD2-NZ 2.72Å; D312-K315 PolarHBondContact OD2-NZ 3.27Å; I313-K315 PolarHBondContact O-N 3.23Å; K315-I329 HydrophobicContact CB-CG2 3.93Å; K315-W332 HydrophobicContact CB-CE3 4.24Å; K315-W332 HydrophobicContact CB-CZ3 4.4Å; K315-Y333 HydrophobicContact CG-CD2 4.41Å; K315-Y333 PolarHBondContact O-N 2.78Å; K315-W334 PolarHBondContact O-N 3.27Å
316Y89.1Confident76.8Confident5 Ų549.4 Ų49.42%0.0226%0.257CS..Hα-helixtrans-100.4-19.7177.2-60.2-69.2000113.1V204 I221 F223 I290 L301 I313 V314 Y333 W334 V337V204-Y316 WeakPolarHBondContact CG2-O 3.47Å; I221-Y316 HydrophobicContact CD1-CD1 4.11Å; I221-Y316 HydrophobicContact CD1-CD2 3.42Å; I221-Y316 VanDerWaalsContact CD1-CD2 3.42Å; I221-Y316 HydrophobicContact CD1-CE1 4.03Å; I221-Y316 HydrophobicContact CD1-CE2 3.31Å; I221-Y316 HydrophobicContact CD1-CG 3.84Å; I221-Y316 HydrophobicContact CG1-CD2 4.12Å; I221-Y316 HydrophobicContact CG1-CE2 4.45Å; I221-Y316 HydrophobicContact CG1-CG 4.18Å; I221-Y316 HydrophobicContact CG2-CD1 3.98Å; I221-Y316 HydrophobicContact CG2-CE1 4.45Å; I221-Y316 HydrophobicContact CG2-CG 4.26Å; F223-Y316 HydrophobicContact CE1-CD1 4.44Å; F223-Y316 HydrophobicContact CE1-CE1 4.39Å; F223-Y316 HydrophobicContact CZ-CE1 4.31Å; I290-Y316 HydrophobicContact CG2-CE1 3.87Å; L301-Y316 HydrophobicContact CD1-CE2 4.03Å; I313-Y316 PolarHBondContact O-N 3.17Å; V314-Y316 PolarHBondContact O-N 3.17Å; Y316-Y333 HydrophobicContact CD1-CD2 4.26Å; Y316-Y333 HydrophobicContact CD1-CG 4.36Å; Y316-Y333 AromaticContact CE1-CD2 3.74Å; Y316-Y333 HydrophobicContact CE1-CD2 3.74Å; Y316-Y333 HydrophobicContact CE1-CG 4.09Å; Y316-W334 WeakPolarHBondContact O-CA 3.32Å; Y316-V337 HydrophobicContact CD1-CG2 3.98Å; Y316-V337 HydrophobicContact CG-CG2 4.47Å
317T83.6Confident75.5Confident0 Ų055.8 Ų55.80%029%0.29CS..Hα-helixtrans-114.8-20.2-167.952.70000114.7S203 I206 I313 V314 V340S203-T317 WeakPolarHBondContact CB-O 3.33Å; S203-T317 PolarHBondContact N-O 3.46Å; I206-T317 HydrophobicContact CD1-CG2 3.77Å; I206-T317 HydrophobicContact CG1-CG2 4.11Å; I313-T317 HydrophobicContact CB-CG2 4.45Å; I313-T317 HydrophobicContact CD1-CG2 4.31Å; I313-T317 WeakPolarHBondContact O-CB 3.43Å; I313-T317 WeakPolarHBondContact O-CG2 3.5Å; I313-T317 PolarHBondContact O-N 2.56Å; I313-T317 PolarHBondContact O-OG1 3.48Å; V314-T317 PolarHBondContact O-N 3.5Å; T317-V340 HydrophobicContact CG2-CB 4.33Å; T317-V340 HydrophobicContact CG2-CG2 3.78Å
318R77.6Confident74.4Confident5 Ų559.6 Ų59.62%0.01931%0.307CS..  trans-119.6143.2-172.6-68-174.668.7-177.2-2.9113.9S199 C201 V314 N323S199-R318 PolarHBondContact OG-NH2 3.01Å; C201-R318 VanDerWaalsContact O-CG 3.26Å; C201-R318 WeakPolarHBondContact O-CG 3.43Å; V314-R318 PolarHBondContact O-N 3.31Å; R318-N323 PolarHBondContact NH2-OD1 3.08Å; R318-N323 VanDerWaalsContact NH2-OD1 3.08Å
319D71.4Confident73.6Confident15 Ų1558 Ų588%0.0830%0.298CS..  trans-79.7130.4160.6173.111.9000108.5S203 W334 R364S203-D319 VanDerWaalsContact OG-CB 3.31Å; S203-D319 WeakPolarHBondContact OG-CB 3.41Å; S203-D319 PolarHBondContact OG-N 3.3Å; S203-D319 VanDerWaalsContact OG-N 3.11Å; D319-W334 HydrophobicContact CB-CZ2 4.38Å; D319-R364 IonicContact OD2-CZ 3.32Å; D319-R364 IonicContact OD2-NH1 3.15Å; D319-R364 IonicContact OD2-NH2 2.66Å; D319-R364 PolarHBondContact OD2-NH2 3.21Å
320A57.3Low72.6Confident17 Ų1766 Ų6614%0.1433%0.332CS..  trans-125.3-5.1-153.100000116.3K322 W332A320-K322 PolarHBondContact O-N 3.49Å; A320-W332 HydrophobicContact CB-CD2 3.27Å; A320-W332 HydrophobicContact CB-CE3 3.32Å; A320-W332 HydrophobicContact CB-CG 4.01Å; A320-W332 HydrophobicContact CB-CH2 3.4Å; A320-W332 VanDerWaalsContact CB-CH2 3.4Å; A320-W332 HydrophobicContact CB-CZ2 3.34Å; A320-W332 HydrophobicContact CB-CZ3 3.39Å
321A52.6Low72.3Confident75 Ų7567.2 Ų67.262%0.6234%0.336SS*.THydrogen-bonded Turntrans-63.712.3-177.800000115.1
322K51.2Low72.3Confident136 Ų13665.2 Ų65.259%0.59132%0.321SS*.THydrogen-bonded Turntrans-151.826.7-163.5-53.5-177-175.3169.50113.8A320A320-K322 PolarHBondContact O-N 3.49Å
323N52.6Low72.3Confident31 Ų3163 Ų6317%0.16631%0.309CS..  trans-141.7113.4174.8-48.1-86.7000113.2S199 R318 D325 Y326S199-N323 VanDerWaalsContact OG-CG 3.26Å; S199-N323 PolarHBondContact OG-ND2 2.93Å; S199-N323 VanDerWaalsContact OG-ND2 3.1Å; S199-N323 PolarHBondContact OG-OD1 3.29Å; R318-N323 PolarHBondContact NH2-OD1 3.08Å; R318-N323 VanDerWaalsContact NH2-OD1 3.08Å; N323-D325 VanDerWaalsContact C-N 3.28Å; N323-D325 PolarHBondContact O-N 3.32Å; N323-Y326 HydrophobicContact CB-CD2 4.18Å
324E53.2Low72.1Confident176 Ų17663 Ų6382%0.82231%0.309SS*.G310 helixtrans-66.4-22.9179.8-61.1166.7-175.200113.7Y326E324-Y326 PolarHBondContact O-N 3.25Å; E324-Y326 VanDerWaalsContact O-N 3.11Å
325D60Low72.1Confident149 Ų14963 Ų6380%0.79731%0.309SS*.G310 helixtrans-65-13.3-179.7-70.1-49.7000114.1N323N323-D325 VanDerWaalsContact C-N 3.28Å; N323-D325 PolarHBondContact O-N 3.32Å
326Y65.7Low72.2Confident60 Ų6061.3 Ų61.324%0.23530%0.302CS..G310 helixtrans-123.614.5-166.5-66.8-84.2000115.3V314 N323 E324 K328 I329 W332V314-Y326 HydrophobicContact CB-CE1 4.15Å; V314-Y326 HydrophobicContact CG1-CD1 3.79Å; V314-Y326 HydrophobicContact CG1-CE1 3.76Å; V314-Y326 HydrophobicContact CG1-CG 4.27Å; V314-Y326 HydrophobicContact CG2-CE1 3.92Å; N323-Y326 HydrophobicContact CB-CD2 4.18Å; E324-Y326 PolarHBondContact O-N 3.25Å; E324-Y326 VanDerWaalsContact O-N 3.11Å; Y326-K328 PolarHBondContact O-N 3.39Å; Y326-I329 HydrophobicContact CD1-CD1 3.81Å; Y326-I329 PolarHBondContact O-N 2.96Å; Y326-W332 HydrophobicContact CG-CH2 4.45Å
327D63.3Low72.2Confident138 Ų13861.1 Ų61.174%0.73830%0.301SS*.THydrogen-bonded Turntrans-50.1-15.8-178.3-72.42.6000116.3
328K68Low72.4Confident202 Ų20264.6 Ų64.688%0.87832%0.316SS*.THydrogen-bonded Turntrans-79.3-17.2176.2-62.7179.9-176.4174.70113.7Y326 K330Y326-K328 PolarHBondContact O-N 3.39Å; K328-K330 PolarHBondContact O-N 3.05Å
329I74.4Confident72.9Confident45 Ų4564.3 Ų64.323%0.23132%0.315CS..  trans-90.6105.3-177.7-58.1179.1000109V314 K315 Y326 K331 W332V314-I329 HydrophobicContact CG1-CD1 4.25Å; K315-I329 HydrophobicContact CB-CG2 3.93Å; Y326-I329 HydrophobicContact CD1-CD1 3.81Å; Y326-I329 PolarHBondContact O-N 2.96Å; I329-K331 VanDerWaalsContact CG2-O 3.28Å; I329-K331 WeakPolarHBondContact CG2-O 3.49Å; I329-W332 HydrophobicContact CB-CH2 4.13Å; I329-W332 HydrophobicContact CB-CZ2 3.49Å; I329-W332 VanDerWaalsContact CB-CZ2 3.49Å; I329-W332 HydrophobicContact CD1-CH2 3.82Å; I329-W332 HydrophobicContact CD1-CZ2 4.09Å; I329-W332 HydrophobicContact CG1-CZ2 4.33Å; I329-W332 HydrophobicContact CG2-CD2 3.98Å; I329-W332 VanDerWaalsContact CG2-CE2 3.45Å; I329-W332 HydrophobicContact CG2-CE3 4.45Å; I329-W332 HydrophobicContact CG2-CH2 4.03Å; I329-W332 HydrophobicContact CG2-CZ2 3.5Å; I329-W332 VanDerWaalsContact CG2-CZ2 3.5Å; I329-W332 HydrophobicContact CG2-CZ3 4.47Å; I329-W332 PolarHBondContact O-NE1 2.73Å
330K72.3Confident73.9Confident168 Ų16863.6 Ų63.673%0.7331%0.311SS*.  trans-77.1-34.7-178.3-61.8-169.5174.8-166.30114K328K328-K330 PolarHBondContact O-N 3.05Å
331K82.6Confident75.7Confident36 Ų3663.4 Ų63.416%0.15731%0.308CS..  trans-122.2142.8-174.4-74.8-176173.3176.70112.4Y286 I329 Y333Y286-K331 PolarHBondContact O-NZ 3.11Å; I329-K331 VanDerWaalsContact CG2-O 3.28Å; I329-K331 WeakPolarHBondContact CG2-O 3.49Å; K331-Y333 HydrophobicContact CB-CE1 4.33Å; K331-Y333 HydrophobicContact CB-CE2 4.18Å; K331-Y333 HydrophobicContact CD-CE1 4.41Å; K331-Y333 VanDerWaalsContact CD-OH 3.26Å; K331-Y333 WeakPolarHBondContact CD-OH 3.06Å
332W87.6Confident77.8Confident27 Ų2759.8 Ų59.810%0.10228%0.279CS..  trans-131.1106.9-170.5-6689.9000109.5A267 V314 K315 A320 Y326 I329 P335A267-W332 CarbonylContact C-O 3.56Å; A267-W332 HydrophobicContact CB-CB 3.81Å; A267-W332 WeakPolarHBondContact O-CA 3.3Å; A267-W332 WeakPolarHBondContact O-CB 3.46Å; A267-W332 PolarHBondContact O-N 3.16Å; V314-W332 HydrophobicContact CG1-CH2 3.61Å; V314-W332 HydrophobicContact CG1-CZ3 3.49Å; V314-W332 VanDerWaalsContact CG1-CZ3 3.49Å; K315-W332 HydrophobicContact CB-CE3 4.24Å; K315-W332 HydrophobicContact CB-CZ3 4.4Å; A320-W332 HydrophobicContact CB-CD2 3.27Å; A320-W332 HydrophobicContact CB-CE3 3.32Å; A320-W332 HydrophobicContact CB-CG 4.01Å; A320-W332 HydrophobicContact CB-CH2 3.4Å; A320-W332 VanDerWaalsContact CB-CH2 3.4Å; A320-W332 HydrophobicContact CB-CZ2 3.34Å; A320-W332 HydrophobicContact CB-CZ3 3.39Å; Y326-W332 HydrophobicContact CG-CH2 4.45Å; I329-W332 HydrophobicContact CB-CH2 4.13Å; I329-W332 HydrophobicContact CB-CZ2 3.49Å; I329-W332 VanDerWaalsContact CB-CZ2 3.49Å; I329-W332 HydrophobicContact CD1-CH2 3.82Å; I329-W332 HydrophobicContact CD1-CZ2 4.09Å; I329-W332 HydrophobicContact CG1-CZ2 4.33Å; I329-W332 HydrophobicContact CG2-CD2 3.98Å; I329-W332 VanDerWaalsContact CG2-CE2 3.45Å; I329-W332 HydrophobicContact CG2-CE3 4.45Å; I329-W332 HydrophobicContact CG2-CH2 4.03Å; I329-W332 HydrophobicContact CG2-CZ2 3.5Å; I329-W332 VanDerWaalsContact CG2-CZ2 3.5Å; I329-W332 HydrophobicContact CG2-CZ3 4.47Å; I329-W332 PolarHBondContact O-NE1 2.73Å; W332-P335 WeakPolarHBondContact O-CD 3.32Å
333Y90.3Very high79.9Confident1 Ų156 Ų560%0.00426%0.261CS..  trans-89.6-4.2-168.9-62.5-63.2000113.8L268 E289 I290 K315 Y316 K331 P335 L336 V337L268-Y333 HydrophobicContact CD1-CD1 3.65Å; L268-Y333 HydrophobicContact CD1-CE1 3.76Å; E289-Y333 HydrophobicContact CB-CE2 4.46Å; E289-Y333 WeakPolarHBondContact CB-OH 3.31Å; E289-Y333 PolarHBondContact OE1-OH 2.69Å; E289-Y333 PolarHBondContact OE2-OH 2.74Å; I290-Y333 HydrophobicContact CD1-CD1 3.38Å; I290-Y333 HydrophobicContact CD1-CE1 3.67Å; I290-Y333 HydrophobicContact CD1-CG 4.08Å; I290-Y333 HydrophobicContact CG1-CD1 4.01Å; I290-Y333 HydrophobicContact CG1-CE1 3.83Å; I290-Y333 HydrophobicContact CG2-CD1 4.44Å; I290-Y333 HydrophobicContact CG2-CD2 4.18Å; I290-Y333 HydrophobicContact CG2-CE2 4.26Å; I290-Y333 HydrophobicContact CG2-CG 4.28Å; K315-Y333 HydrophobicContact CG-CD2 4.41Å; K315-Y333 PolarHBondContact O-N 2.78Å; Y316-Y333 HydrophobicContact CD1-CD2 4.26Å; Y316-Y333 HydrophobicContact CD1-CG 4.36Å; Y316-Y333 AromaticContact CE1-CD2 3.74Å; Y316-Y333 HydrophobicContact CE1-CD2 3.74Å; Y316-Y333 HydrophobicContact CE1-CG 4.09Å; K331-Y333 HydrophobicContact CB-CE1 4.33Å; K331-Y333 HydrophobicContact CB-CE2 4.18Å; K331-Y333 HydrophobicContact CD-CE1 4.41Å; K331-Y333 VanDerWaalsContact CD-OH 3.26Å; K331-Y333 WeakPolarHBondContact CD-OH 3.06Å; Y333-P335 VanDerWaalsContact C-N 3.26Å; Y333-P335 WeakPolarHBondContact O-CD 3.38Å; Y333-L336 HydrophobicContact CD1-CD1 4.3Å; Y333-L336 WeakPolarHBondContact O-CB 3.3Å; Y333-L336 PolarHBondContact O-N 3.41Å; Y333-V337 WeakPolarHBondContact O-CG2 3.41Å; Y333-V337 PolarHBondContact O-N 2.84Å
334W87.1Confident81.8Confident2 Ų254.6 Ų54.61%0.00825%0.253CS..THydrogen-bonded Turntrans-49.9-27.2-179.580.7-98.2000116.6V204 K264 K315 Y316 D319 L336 R368V204-W334 HydrophobicContact CG2-CB 4.01Å; K264-W334 HydrophobicContact CD-CH2 4.48Å; K264-W334 HydrophobicContact CG-CH2 3.56Å; K264-W334 HydrophobicContact CG-CZ2 3.96Å; K264-W334 HydrophobicContact CG-CZ3 4.34Å; K315-W334 PolarHBondContact O-N 3.27Å; Y316-W334 WeakPolarHBondContact O-CA 3.32Å; D319-W334 HydrophobicContact CB-CZ2 4.38Å; W334-L336 VanDerWaalsContact C-N 3.33Å; W334-R368 PolarHBondContact O-NH1 3.02Å
335P87.1Confident83.7Confident0 Ų046.9 Ų46.90%022%0.218CC..THydrogen-bonded Turntrans-65-36.2173.4-22.535.6000112.7W229 K264 A267 W332 Y333W229-P335 HydrophobicContact CH2-CB 3.73Å; W229-P335 HydrophobicContact CZ3-CB 3.95Å; K264-P335 HydrophobicContact CB-CB 4.47Å; K264-P335 HydrophobicContact CB-CG 4.34Å; K264-P335 HydrophobicContact CG-CB 4.4Å; K264-P335 HydrophobicContact CG-CG 4.4Å; A267-P335 HydrophobicContact CB-CG 4.13Å; W332-P335 WeakPolarHBondContact O-CD 3.32Å; Y333-P335 VanDerWaalsContact C-N 3.26Å; Y333-P335 WeakPolarHBondContact O-CD 3.38Å
336L89.8Confident84.9Confident0 Ų046.6 Ų46.60%022%0.217CC..THydrogen-bonded Turntrans-81.2-18.4-177.8-56.6176.7000113.6F223 I224 W229 L268 F287 I290 F293 Y333 W334F223-L336 CarbonylContact C-O 3.43Å; F223-L336 WeakPolarHBondContact CA-O 3.31Å; F223-L336 HydrophobicContact CD1-CB 4.08Å; I224-L336 WeakPolarHBondContact CG1-O 3.34Å; I224-L336 PolarHBondContact N-O 2.91Å; W229-L336 HydrophobicContact CB-CD2 4.28Å; W229-L336 HydrophobicContact CD2-CD2 3.4Å; W229-L336 VanDerWaalsContact CE2-CD2 3.46Å; W229-L336 HydrophobicContact CE3-CD2 4.01Å; W229-L336 HydrophobicContact CG-CD2 3.5Å; W229-L336 HydrophobicContact CZ2-CD2 4.11Å; L268-L336 HydrophobicContact CD1-CD1 3.87Å; L268-L336 HydrophobicContact CD2-CD1 3.86Å; L268-L336 HydrophobicContact CD2-CD2 3.89Å; L268-L336 HydrophobicContact CD2-CG 3.96Å; F287-L336 HydrophobicContact CD1-CD1 4.03Å; F287-L336 HydrophobicContact CE1-CD1 3.88Å; F287-L336 HydrophobicContact CE1-CD2 4.49Å; I290-L336 HydrophobicContact CD1-CD1 3.42Å; I290-L336 VanDerWaalsContact CD1-CD1 3.42Å; F293-L336 HydrophobicContact CD1-CD1 4.45Å; F293-L336 HydrophobicContact CE1-CD2 4.44Å; F293-L336 HydrophobicContact CE2-CD2 4.13Å; F293-L336 HydrophobicContact CZ-CD2 3.96Å; Y333-L336 HydrophobicContact CD1-CD1 4.3Å; Y333-L336 WeakPolarHBondContact O-CB 3.3Å; Y333-L336 PolarHBondContact O-N 3.41Å; W334-L336 VanDerWaalsContact C-N 3.33Å
337V89.4Confident86Confident0 Ų044.1 Ų44.10%021%0.207CC..EExtended strand (participates in β ladder)trans-82.2126.8-172.2-174.80000110.2V204 I221 E222 F223 Y316 Y333 C339 V340 R368V204-V337 HydrophobicContact CG1-CB 4.07Å; V204-V337 HydrophobicContact CG1-CG1 3.71Å; V204-V337 HydrophobicContact CG2-CB 4.32Å; I221-V337 HydrophobicContact CG2-CG1 3.86Å; I221-V337 HydrophobicContact CG2-CG2 3.86Å; E222-V337 WeakPolarHBondContact O-CG1 3.38Å; F223-V337 HydrophobicContact CD1-CG2 4.09Å; F223-V337 HydrophobicContact CE1-CG2 4Å; Y316-V337 HydrophobicContact CD1-CG2 3.98Å; Y316-V337 HydrophobicContact CG-CG2 4.47Å; Y333-V337 WeakPolarHBondContact O-CG2 3.41Å; Y333-V337 PolarHBondContact O-N 2.84Å; V337-C339 WeakPolarHBondContact CG1-O 3.49Å; V337-V340 HydrophobicContact CG1-CG2 3.78Å; V337-R368 VanDerWaalsContact O-CD 3.26Å; V337-R368 WeakPolarHBondContact O-CD 3.31Å; V337-R368 PolarHBondContact O-NH1 3.47Å
338K86.2Confident87Confident73 Ų7340.3 Ų40.332%0.31719%0.19SC..EExtended strand (participates in β ladder)trans-84.1-47.5176.5-177.2179.8167.5-162.90110.6E222 F223 I224 M371E222-K338 HydrophobicContact CG-CB 4.37Å; E222-K338 HydrophobicContact CG-CD 4.03Å; E222-K338 WeakPolarHBondContact O-CA 3.34Å; E222-K338 WeakPolarHBondContact O-CB 3.43Å; E222-K338 PolarHBondContact O-N 3.13Å; E222-K338 WeakPolarHBondContact OE1-CD 3.48Å; E222-K338 WeakPolarHBondContact OE1-CE 3.45Å; E222-K338 IonicContact OE1-NZ 3.36Å; E222-K338 PolarHBondContact OE1-NZ 2.9Å; F223-K338 VanDerWaalsContact C-CB 3.5Å; F223-K338 WeakPolarHBondContact O-CB 3.43Å; F223-K338 WeakPolarHBondContact O-CD 3.46Å; I224-K338 HydrophobicContact CG2-CB 3.93Å; I224-K338 HydrophobicContact CG2-CG 4.47Å; K338-M371 HydrophobicContact CB-CE 4.38Å; K338-M371 HydrophobicContact CG-CE 3.38Å; K338-M371 HydrophobicContact CG-SD 4.14Å; K338-M371 WeakPolarHBondContact O-CE 3.41Å
339C89.1Confident88Confident0 Ų031.1 Ų31.10%015%0.15CC..EExtended strand (participates in β ladder)trans-152.9150.5178.9-176.20000110M205 K207 E222 V337M205-C339 HydrophobicContact CE-CB 4.06Å; K207-C339 WeakPolarHBondContact CE-SG 3.31Å; K207-C339 PolarHBondContact NZ-SG 3.38Å; E222-C339 HydrophobicContact CB-CB 4.14Å; E222-C339 PolarHBondContact N-O 3.18Å; E222-C339 PolarHBondContact O-N 3.06Å; E222-C339 VanDerWaalsContact O-N 3.16Å; E222-C339 WeakPolarHBondContact OE2-CB 3.4Å; V337-C339 WeakPolarHBondContact CG1-O 3.49Å
340V92.5Very high88.8Confident0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-113.4132.6161-177.20000108.6M205 I206 K207 E220 I221 T317 V337 V342M205-V340 PolarHBondContact O-N 3.39Å; M205-V340 VanDerWaalsContact O-N 3.11Å; I206-V340 CarbonylContact C-O 3.58Å; I206-V340 WeakPolarHBondContact CA-O 3.33Å; I206-V340 HydrophobicContact CG2-CB 4.45Å; K207-V340 PolarHBondContact N-O 2.78Å; E220-V340 CarbonylContact O-C 3.55Å; E220-V340 WeakPolarHBondContact O-CA 3.39Å; I221-V340 HydrophobicContact CG1-CG2 4.48Å; T317-V340 HydrophobicContact CG2-CB 4.33Å; T317-V340 HydrophobicContact CG2-CG2 3.78Å; V337-V340 HydrophobicContact CG1-CG2 3.78Å; V340-V342 HydrophobicContact CG1-CG2 4.17Å
341T95.2Very high89.4Confident12 Ų1225.2 Ų25.27%0.07412%0.124CC..EExtended strand (participates in β ladder)trans-112.7111.1173.8-51.90000108.2K207 E209 A219 E220K207-T341 HydrophobicContact CB-CG2 4.2Å; E209-T341 HydrophobicContact CG-CG2 4.16Å; A219-T341 WeakPolarHBondContact CA-O 3.47Å; E220-T341 PolarHBondContact N-O 3.36Å; E220-T341 PolarHBondContact O-N 3.26Å
342V95.8Very high89.6Confident0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-94.1121.5176.1177.30000108.7L192 L193 I206 K207 V208 E209 E218 L309 I313 V340 V344L192-V342 HydrophobicContact CD1-CG1 3.88Å; L192-V342 HydrophobicContact CG-CG1 4.31Å; L193-V342 HydrophobicContact CD2-CB 4.46Å; L193-V342 HydrophobicContact CD2-CG2 3.95Å; I206-V342 HydrophobicContact CG2-CG2 3.94Å; K207-V342 PolarHBondContact O-N 3.03Å; V208-V342 CarbonylContact C-O 3.59Å; V208-V342 WeakPolarHBondContact CA-O 3.19Å; V208-V342 HydrophobicContact CG1-CB 4.49Å; E209-V342 PolarHBondContact N-O 3.13Å; E218-V342 CarbonylContact O-C 3.07Å; E218-V342 VanDerWaalsContact O-CA 3.29Å; E218-V342 WeakPolarHBondContact O-CA 3.34Å; L309-V342 HydrophobicContact CD1-CG1 3.98Å; L309-V342 HydrophobicContact CD2-CG1 4.07Å; L309-V342 HydrophobicContact CD2-CG2 4.21Å; I313-V342 HydrophobicContact CD1-CG2 4.03Å; V340-V342 HydrophobicContact CG1-CG2 4.17Å; V342-V344 HydrophobicContact CG1-CG2 4.28Å
343R95.1Very high89.8Confident57 Ų5724.3 Ų24.322%0.21512%0.122CC..EExtended strand (participates in β ladder)trans-99.7132.4172.3-48.2-171.7172.284.712.9109.8E209 N211 E218 E220E209-R343 CarbonylContact O-C 3.57Å; E209-R343 WeakPolarHBondContact O-CA 3.29Å; N211-R343 HydrophobicContact CB-CB 3.71Å; E218-R343 HydrophobicContact CB-CB 4.1Å; E218-R343 HydrophobicContact CB-CG 4.34Å; E218-R343 PolarHBondContact N-O 2.74Å; E218-R343 PolarHBondContact O-N 2.58Å; E218-R343 IonicContact OE2-NH1 2.73Å; E218-R343 PolarHBondContact OE2-NH1 3.17Å; E218-R343 VanDerWaalsContact OE2-NH1 3.13Å; E220-R343 IonicContact OE2-CZ 2.73Å; E220-R343 IonicContact OE2-NH1 2.68Å; E220-R343 PolarHBondContact OE2-NH1 3.36Å; E220-R343 IonicContact OE2-NH2 3.16Å; E220-R343 PolarHBondContact OE2-NH2 3.46Å
344V94Very high90Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-115.6124-175.2-174.40000109E189 L192 V208 E209 N211 Y217 V342 N347 L350E189-V344 HydrophobicContact CG-CG1 4.26Å; L192-V344 HydrophobicContact CD1-CG2 4.13Å; L192-V344 HydrophobicContact CD2-CG2 3.58Å; L192-V344 HydrophobicContact CG-CG2 4.49Å; V208-V344 HydrophobicContact CG1-CG2 3.57Å; E209-V344 PolarHBondContact O-N 3.48Å; N211-V344 PolarHBondContact N-O 3.46Å; Y217-V344 HydrophobicContact CD1-CG1 4.46Å; Y217-V344 HydrophobicContact CE1-CG1 3.98Å; V342-V344 HydrophobicContact CG1-CG2 4.28Å; V344-N347 HydrophobicContact CB-CB 4.37Å; V344-N347 HydrophobicContact CG1-CB 3.98Å; V344-L350 HydrophobicContact CB-CD1 3.84Å; V344-L350 HydrophobicContact CG2-CD1 3.88Å
345P91.8Very high90.3Very high15 Ų1524.4 Ų24.410%0.09712%0.123CC..THydrogen-bonded Turntrans-67.915217729.9-35.3000111.7E215 Y217 N347E215-P345 WeakPolarHBondContact O-CB 3.39Å; E215-P345 WeakPolarHBondContact O-CG 3.27Å; Y217-P345 HydrophobicContact CD2-CG 4.18Å; Y217-P345 HydrophobicContact CE1-CG 4.37Å; Y217-P345 HydrophobicContact CE2-CG 4Å; Y217-P345 HydrophobicContact CG-CG 4.42Å; P345-N347 PolarHBondContact O-N 2.86Å
346D84.8Confident90.6Very high143 Ų14324.4 Ų24.477%0.76512%0.123SC*.THydrogen-bonded Turntrans47.829.5170-63.5-30.1000117.1P348D346-P348 VanDerWaalsContact O-CD 3.25Å; D346-P348 WeakPolarHBondContact O-CD 3.32Å
347N88.9Confident90.6Very high7 Ų724.4 Ų24.44%0.03712%0.123CC..  trans-93.4108.3-174.2-156.7-71.4000113.1L187 V344 P345 F349 L350L187-N347 PolarHBondContact O-ND2 2.92Å; V344-N347 HydrophobicContact CB-CB 4.37Å; V344-N347 HydrophobicContact CG1-CB 3.98Å; P345-N347 PolarHBondContact O-N 2.86Å; N347-F349 PolarHBondContact O-N 3.12Å; N347-F349 WeakPolarHBondContact OD1-CB 3.37Å; N347-F349 PolarHBondContact OD1-N 3.25Å; N347-F349 VanDerWaalsContact OD1-N 3.14Å; N347-L350 HydrophobicContact CB-CB 4.37Å; N347-L350 HydrophobicContact CB-CD1 3.99Å; N347-L350 HydrophobicContact CB-CG 4.3Å; N347-L350 PolarHBondContact O-N 2.92Å; N347-L350 VanDerWaalsContact O-N 3.11Å
348P85.2Confident90.1Very high59 Ų5924.7 Ų24.738%0.38313%0.125SC..THydrogen-bonded Turntrans-68-8-176.430-37.4000113.9D346 N506D346-P348 VanDerWaalsContact O-CD 3.25Å; D346-P348 WeakPolarHBondContact O-CD 3.32Å; P348-N506 PolarHBondContact O-ND2 2.85Å
349F89.4Confident89.4Confident8 Ų821.8 Ų21.84%0.03511%0.113CC..THydrogen-bonded Turntrans-96.8-4.8177.5-51.3-61.1000114L187 K188 N347 V353 Q499 L502 Q503 N506L187-F349 HydrophobicContact CD2-CB 4.15Å; K188-F349 HydrophobicContact CD-CE2 4.15Å; K188-F349 HydrophobicContact CG-CE2 4.37Å; N347-F349 PolarHBondContact O-N 3.12Å; N347-F349 WeakPolarHBondContact OD1-CB 3.37Å; N347-F349 PolarHBondContact OD1-N 3.25Å; N347-F349 VanDerWaalsContact OD1-N 3.14Å; F349-V353 WeakPolarHBondContact O-CB 3.37Å; F349-V353 WeakPolarHBondContact O-CG1 3.26Å; F349-Q499 HydrophobicContact CD1-CB 4.29Å; F349-Q499 HydrophobicContact CD1-CG 4.47Å; F349-Q499 HydrophobicContact CE1-CB 3.64Å; F349-Q499 HydrophobicContact CE1-CG 3.97Å; F349-Q499 HydrophobicContact CE2-CG 4.05Å; F349-Q499 HydrophobicContact CZ-CB 3.8Å; F349-Q499 HydrophobicContact CZ-CG 3.72Å; F349-L502 HydrophobicContact CB-CB 4.3Å; F349-L502 HydrophobicContact CB-CD1 4.11Å; F349-L502 HydrophobicContact CD1-CB 4.45Å; F349-Q503 HydrophobicContact CD1-CB 4.5Å; F349-N506 VanDerWaalsContact CA-ND2 3.34Å; F349-N506 WeakPolarHBondContact CA-ND2 3.5Å; F349-N506 PolarHBondContact O-ND2 3.41Å
350L90Very high88.1Confident3 Ų322.1 Ų22.12%0.01612%0.116CC..THydrogen-bonded Turntrans-112.7-10.3-178.9-65.9173000114.4L187 V208 D210 V344 N347 H352 V353 L355 N506L187-L350 HydrophobicContact CD1-CD1 4.21Å; L187-L350 HydrophobicContact CD2-CD1 3.91Å; L187-L350 HydrophobicContact CD2-CD2 3.81Å; L187-L350 HydrophobicContact CD2-CG 3.69Å; V208-L350 HydrophobicContact CG1-CD1 3.84Å; D210-L350 HydrophobicContact CB-CB 3.88Å; V344-L350 HydrophobicContact CB-CD1 3.84Å; V344-L350 HydrophobicContact CG2-CD1 3.88Å; N347-L350 HydrophobicContact CB-CB 4.37Å; N347-L350 HydrophobicContact CB-CD1 3.99Å; N347-L350 HydrophobicContact CB-CG 4.3Å; N347-L350 PolarHBondContact O-N 2.92Å; N347-L350 VanDerWaalsContact O-N 3.11Å; L350-H352 VanDerWaalsContact C-N 3.29Å; L350-H352 PolarHBondContact O-N 3.39Å; L350-V353 CarbonylContact C-O 3.51Å; L350-V353 WeakPolarHBondContact CA-O 3.44Å; L350-V353 WeakPolarHBondContact CD2-O 3.45Å; L350-V353 PolarHBondContact O-N 2.91Å; L350-L355 HydrophobicContact CD2-CD1 4.31Å; L350-L355 HydrophobicContact CD2-CG 3.91Å; L350-N506 PolarHBondContact N-ND2 2.92Å
351Q84.9Confident86.4Confident86 Ų8624.6 Ų24.640%0.40213%0.129SC..THydrogen-bonded Turntrans-42.8-47.2-172-77.9-174.2-1.900115.9D210 R212 N506D210-Q351 WeakPolarHBondContact OD2-CA 2.76Å; R212-Q351 VanDerWaalsContact NH2-C 3.28Å; R212-Q351 PolarHBondContact NH2-O 3.46Å; Q351-N506 HydrophobicContact CB-CB 4.47Å; Q351-N506 PolarHBondContact N-ND2 3.36Å
352H86.6Confident84.4Confident43 Ų4324.8 Ų24.820%0.19913%0.134CC..THydrogen-bonded Turntrans-127.122.2174.3-67.5-73.5000111.4K165 E167 R212 L350 N506K165-H352 HydrophobicContact CB-CB 4.37Å; K165-H352 HydrophobicContact CD-CB 3.93Å; K165-H352 HydrophobicContact CG-CB 4.1Å; K165-H352 PolarHBondContact O-ND1 3.02Å; K165-H352 VanDerWaalsContact O-ND1 3.09Å; E167-H352 WeakPolarHBondContact CB-O 3.42Å; E167-H352 PolarHBondContact N-O 2.87Å; R212-H352 PolarHBondContact NH2-CD2 2.91Å; R212-H352 PolarHBondContact NH2-CE1 3.23Å; R212-H352 VanDerWaalsContact NH2-CE1 3.3Å; R212-H352 PolarHBondContact NH2-NE2 2.83Å; L350-H352 VanDerWaalsContact C-N 3.29Å; L350-H352 PolarHBondContact O-N 3.39Å; H352-N506 WeakPolarHBondContact CA-OD1 3.42Å; H352-N506 PolarHBondContact N-OD1 2.95Å
353V92.1Very high82.3Confident2 Ų225.8 Ų25.81%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-131.4124.7-171.1158.10000110.1E167 V169 F349 L350 L355 L502 L505 N506E167-V353 HydrophobicContact CB-CG2 3.96Å; E167-V353 CarbonylContact O-C 3.58Å; E167-V353 WeakPolarHBondContact O-CA 3.34Å; V169-V353 HydrophobicContact CG2-CG1 4.01Å; F349-V353 WeakPolarHBondContact O-CB 3.37Å; F349-V353 WeakPolarHBondContact O-CG1 3.26Å; L350-V353 CarbonylContact C-O 3.51Å; L350-V353 WeakPolarHBondContact CA-O 3.44Å; L350-V353 WeakPolarHBondContact CD2-O 3.45Å; L350-V353 PolarHBondContact O-N 2.91Å; V353-L355 HydrophobicContact CG1-CD2 3.76Å; V353-L355 HydrophobicContact CG1-CG 4.4Å; V353-L502 HydrophobicContact CG1-CD2 4.12Å; V353-L505 HydrophobicContact CG2-CB 3.57Å; V353-L505 HydrophobicContact CG2-CD1 4.22Å; V353-N506 WeakPolarHBondContact CB-OD1 3.38Å; V353-N506 WeakPolarHBondContact CG2-OD1 3.5Å; V353-N506 PolarHBondContact N-OD1 3.46Å
354T94Very high80.2Confident4 Ų428 Ų283%0.02515%0.148CC..EExtended strand (participates in β ladder)trans-103.6121.9168-63.20000109.7K166 E167 L168 V169 K207 V208 E209 V356K166-T354 WeakPolarHBondContact CE-OG1 3.47Å; E167-T354 PolarHBondContact O-N 3.11Å; L168-T354 HydrophobicContact CD1-CG2 3.66Å; V169-T354 PolarHBondContact N-O 2.93Å; K207-T354 HydrophobicContact CB-CG2 4.16Å; K207-T354 HydrophobicContact CG-CG2 4.47Å; V208-T354 WeakPolarHBondContact O-CA 3.44Å; E209-T354 HydrophobicContact CG-CG2 3.77Å; E209-T354 PolarHBondContact OE1-OG1 3.03Å; T354-V356 HydrophobicContact CG2-CG2 4.11Å
355L95.2Very high78.4Confident0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-87.3141.9168.3-54.5-173.6000109.2V169 I183 L187 K207 V208 L350 V353 L502V169-L355 HydrophobicContact CB-CD2 3.65Å; V169-L355 HydrophobicContact CG1-CD2 4.01Å; V169-L355 HydrophobicContact CG2-CD2 3.94Å; I183-L355 HydrophobicContact CG2-CD1 4.1Å; L187-L355 HydrophobicContact CD1-CD1 4.18Å; L187-L355 HydrophobicContact CD2-CD1 3.82Å; L187-L355 HydrophobicContact CG-CD1 3.99Å; K207-L355 CarbonylContact C-O 3.59Å; K207-L355 WeakPolarHBondContact CA-O 3.48Å; V208-L355 HydrophobicContact CB-CB 4.38Å; V208-L355 PolarHBondContact N-O 3.26Å; V208-L355 PolarHBondContact O-N 3.27Å; V208-L355 VanDerWaalsContact O-N 3.11Å; L350-L355 HydrophobicContact CD2-CD1 4.31Å; L350-L355 HydrophobicContact CD2-CG 3.91Å; V353-L355 HydrophobicContact CG1-CD2 3.76Å; V353-L355 HydrophobicContact CG1-CG 4.4Å; L355-L502 HydrophobicContact CD1-CD1 4.25Å; L355-L502 HydrophobicContact CD2-CD1 3.91Å; L355-L502 HydrophobicContact CD2-CD2 4.09Å
356V92Very high76.6Confident1 Ų133.6 Ų33.61%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-127.1109.7176.8-169.50000110.3L168 V169 V171 M205 I206 K207 T354 L358L168-V356 HydrophobicContact CD1-CG2 3.58Å; L168-V356 HydrophobicContact CG-CG2 4.39Å; V169-V356 PolarHBondContact O-N 3.13Å; V171-V356 WeakPolarHBondContact CB-O 3.48Å; V171-V356 PolarHBondContact N-O 3.31Å; M205-V356 HydrophobicContact CG-CG1 3.52Å; M205-V356 HydrophobicContact SD-CG1 3.78Å; I206-V356 CarbonylContact O-C 3.57Å; I206-V356 WeakPolarHBondContact O-CA 3.36Å; K207-V356 HydrophobicContact CG-CG2 4.44Å; T354-V356 HydrophobicContact CG2-CG2 4.11Å; V356-L358 HydrophobicContact CG1-CD2 4.03Å; V356-L358 HydrophobicContact CG1-CG 4.12Å
357D89.5Confident75.2Confident0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-78.3125.1167.5-162.519.5000109.1K179 T180 I183 L193 T202 I206K179-D357 VanDerWaalsContact CB-OD1 3.29Å; K179-D357 WeakPolarHBondContact CB-OD1 3.43Å; K179-D357 WeakPolarHBondContact CE-OD1 3.34Å; T180-D357 PolarHBondContact OG1-OD2 3.45Å; I183-D357 HydrophobicContact CD1-CB 3.55Å; L193-D357 HydrophobicContact CD1-CB 4.29Å; T202-D357 HydrophobicContact CG2-CB 4.42Å; T202-D357 PolarHBondContact OG1-OD2 2.91Å; I206-D357 HydrophobicContact CB-CB 4.46Å; I206-D357 PolarHBondContact N-O 3.41Å; I206-D357 PolarHBondContact O-N 3.07Å
358L79.1Confident74.1Confident6 Ų628.7 Ų28.73%0.03115%0.148CC..  trans-110.1139.9-174.8-67.2152.8000110.6V171 F172 K179 M205 V356 G360 W372 F376V171-L358 WeakPolarHBondContact O-CB 3.18Å; V171-L358 PolarHBondContact O-N 3.49Å; F172-L358 HydrophobicContact CB-CD1 4.01Å; K179-L358 WeakPolarHBondContact CE-O 3.21Å; K179-L358 PolarHBondContact NZ-O 3.26Å; K179-L358 VanDerWaalsContact NZ-O 3.12Å; M205-L358 HydrophobicContact CG-CD2 4.11Å; M205-L358 HydrophobicContact SD-CD2 4.12Å; V356-L358 HydrophobicContact CG1-CD2 4.03Å; V356-L358 HydrophobicContact CG1-CG 4.12Å; L358-G360 PolarHBondContact O-N 3.3Å; L358-W372 HydrophobicContact CD2-CB 4.24Å; L358-F376 HydrophobicContact CD1-CD2 4.34Å; L358-F376 HydrophobicContact CD1-CE2 3.38Å; L358-F376 HydrophobicContact CD1-CZ 3.83Å; L358-F376 HydrophobicContact CD2-CE2 4.1Å; L358-F376 HydrophobicContact CG-CE2 4.34Å
359P73Confident73Confident12 Ų1227.4 Ų27.48%0.07814%0.138CC..  trans-56133.817323.6-33.1000110.3N361 G362 D363P359-N361 VanDerWaalsContact C-N 3.26Å; P359-N361 PolarHBondContact O-N 3.48Å; P359-G362 PolarHBondContact O-N 3.48Å; P359-D363 HydrophobicContact CG-CB 4Å
360G60.4Low71.6Confident6 Ų631.8 Ų31.86%0.06217%0.165CC..THydrogen-bonded Turntrans-63.6-23.7-151.500000117G173 L358G173-G360 CarbonylContact C-O 3.52Å; G173-G360 CarbonylContact O-C 3.53Å; G173-G360 WeakPolarHBondContact O-CA 3.44Å; G173-G360 VanDerWaalsContact O-O 3.11Å; L358-G360 PolarHBondContact O-N 3.3Å
361N56.5Low70.5Confident52 Ų5233.7 Ų33.728%0.27818%0.175SC..THydrogen-bonded Turntrans-112.212.6-178.1-70.635.6000111.8P359 E396 R615P359-N361 VanDerWaalsContact C-N 3.26Å; P359-N361 PolarHBondContact O-N 3.48Å; N361-E396 PolarHBondContact ND2-OE1 3.39Å; N361-R615 WeakPolarHBondContact O-CD 3.43Å; N361-R615 PolarHBondContact O-NH1 3.14Å
362G54.6Low69.6Low17 Ų1730.1 Ų30.118%0.17516%0.158CC..SBendtrans86.8175.3-151.500000110.6P359P359-G362 PolarHBondContact O-N 3.48Å
363D51.8Low68.7Low21 Ų2129.9 Ų29.911%0.11216%0.156CC..  trans-77.3148.3179.9-153.8-53.4000111.8P359 N365 R368P359-D363 HydrophobicContact CG-CB 4Å; D363-N365 VanDerWaalsContact C-N 3.33Å; D363-N365 PolarHBondContact OD1-N 3.04Å; D363-R368 HydrophobicContact CB-CB 4.06Å; D363-R368 IonicContact OD1-CZ 2.71Å; D363-R368 IonicContact OD1-NE 2.74Å; D363-R368 PolarHBondContact OD1-NE 3.22Å; D363-R368 VanDerWaalsContact OD1-NE 3.12Å; D363-R368 IonicContact OD1-NH2 2.66Å; D363-R368 PolarHBondContact OD1-NH2 3.34Å; D363-R368 WeakPolarHBondContact OD2-CB 3.46Å; D363-R368 IonicContact OD2-CZ 2.75Å; D363-R368 IonicContact OD2-NE 2.63Å; D363-R368 PolarHBondContact OD2-NE 3.09Å; D363-R368 IonicContact OD2-NH2 3.46Å; D363-R368 PolarHBondContact OD2-NH2 3.01Å
364R50.3Low67.7Low102 Ų10231.2 Ų31.239%0.38517%0.17SC..SBendtrans-78.6-17.9171.9-55.1-159.6-152.815913.7112.5D260 D319D260-R364 WeakPolarHBondContact OD1-CD 3.21Å; D260-R364 IonicContact OD1-CZ 2.62Å; D260-R364 IonicContact OD1-NE 2.9Å; D260-R364 IonicContact OD1-NH1 2.79Å; D260-R364 PolarHBondContact OD1-NH1 2.87Å; D319-R364 IonicContact OD2-CZ 3.32Å; D319-R364 IonicContact OD2-NH1 3.15Å; D319-R364 IonicContact OD2-NH2 2.66Å; D319-R364 PolarHBondContact OD2-NH2 3.21Å
365N56.7Low66.8Low4 Ų432.6 Ų32.62%0.02118%0.177CC..  trans-90.8127.9-179.3-166.2-19.5000112.1E232 D363 S367 R368 D369E232-N365 PolarHBondContact OE1-ND2 3.33Å; E232-N365 PolarHBondContact OE1-OD1 3.18Å; E232-N365 VanDerWaalsContact OE2-CG 3.32Å; E232-N365 PolarHBondContact OE2-ND2 3Å; E232-N365 PolarHBondContact OE2-OD1 3.1Å; D363-N365 VanDerWaalsContact C-N 3.33Å; D363-N365 PolarHBondContact OD1-N 3.04Å; N365-S367 VanDerWaalsContact C-N 3.3Å; N365-S367 PolarHBondContact ND2-OG 3.23Å; N365-S367 PolarHBondContact O-N 3.31Å; N365-S367 PolarHBondContact OD1-N 2.79Å; N365-S367 PolarHBondContact OD1-OG 2.7Å; N365-R368 HydrophobicContact CB-CB 4.17Å; N365-R368 HydrophobicContact CB-CG 3.97Å; N365-R368 PolarHBondContact O-N 2.95Å; N365-R368 VanDerWaalsContact O-N 3.13Å; N365-D369 PolarHBondContact O-N 3.41Å
366K54.2Low65.8Low130 Ų13032.8 Ų32.857%0.56518%0.178SC*.Hα-helixtrans-59.4-37.3176.8179.2175.8172.9170.90112.3R368 E609 N610K366-R368 VanDerWaalsContact C-N 3.28Å; K366-R368 PolarHBondContact O-N 3.26Å; K366-E609 PolarHBondContact NZ-O 3.21Å; K366-N610 WeakPolarHBondContact CD-OD1 3.43Å; K366-N610 WeakPolarHBondContact CE-OD1 3.47Å; K366-N610 PolarHBondContact NZ-OD1 3.34Å
367S55.3Low65.2Low45 Ų4532.7 Ų32.732%0.31518%0.178SC..Hα-helixtrans-67.6-29.2177.464.50000112.6N365 T370N365-S367 VanDerWaalsContact C-N 3.3Å; N365-S367 PolarHBondContact ND2-OG 3.23Å; N365-S367 PolarHBondContact O-N 3.31Å; N365-S367 PolarHBondContact OD1-N 2.79Å; N365-S367 PolarHBondContact OD1-OG 2.7Å; S367-T370 PolarHBondContact O-OG1 3Å
368R64.5Low65Low2 Ų236.7 Ų36.71%0.00820%0.199CC..Hα-helixtrans-92.2-19.1-178.9-53.5-168.3-53.6-144.71.5113S203 W334 V337 D363 N365 K366 T370 M371 W372S203-R368 PolarHBondContact O-NH2 3.08Å; W334-R368 PolarHBondContact O-NH1 3.02Å; V337-R368 VanDerWaalsContact O-CD 3.26Å; V337-R368 WeakPolarHBondContact O-CD 3.31Å; V337-R368 PolarHBondContact O-NH1 3.47Å; D363-R368 HydrophobicContact CB-CB 4.06Å; D363-R368 IonicContact OD1-CZ 2.71Å; D363-R368 IonicContact OD1-NE 2.74Å; D363-R368 PolarHBondContact OD1-NE 3.22Å; D363-R368 VanDerWaalsContact OD1-NE 3.12Å; D363-R368 IonicContact OD1-NH2 2.66Å; D363-R368 PolarHBondContact OD1-NH2 3.34Å; D363-R368 WeakPolarHBondContact OD2-CB 3.46Å; D363-R368 IonicContact OD2-CZ 2.75Å; D363-R368 IonicContact OD2-NE 2.63Å; D363-R368 PolarHBondContact OD2-NE 3.09Å; D363-R368 IonicContact OD2-NH2 3.46Å; D363-R368 PolarHBondContact OD2-NH2 3.01Å; N365-R368 HydrophobicContact CB-CB 4.17Å; N365-R368 HydrophobicContact CB-CG 3.97Å; N365-R368 PolarHBondContact O-N 2.95Å; N365-R368 VanDerWaalsContact O-N 3.13Å; K366-R368 VanDerWaalsContact C-N 3.28Å; K366-R368 PolarHBondContact O-N 3.26Å; R368-T370 VanDerWaalsContact C-N 3.29Å; R368-T370 PolarHBondContact O-N 2.95Å; R368-M371 HydrophobicContact CB-CE 4.02Å; R368-M371 HydrophobicContact CG-CE 3.99Å; R368-M371 WeakPolarHBondContact O-CB 3.36Å; R368-M371 PolarHBondContact O-N 2.88Å; R368-W372 PolarHBondContact O-N 2.9Å
369D62.4Low65.5Low32 Ų3236.4 Ų36.417%0.17120%0.197CC..Hα-helixtrans-68.1-22.2179.8-171.151.6000114.3N365 W372 K373N365-D369 PolarHBondContact O-N 3.41Å; D369-W372 PolarHBondContact O-NE1 3.35Å; D369-W372 WeakPolarHBondContact OD1-CZ2 3.47Å; D369-W372 PolarHBondContact OD1-NE1 3Å; D369-K373 VanDerWaalsContact CG-NZ 3.27Å; D369-K373 WeakPolarHBondContact O-CD 3.21Å; D369-K373 WeakPolarHBondContact O-CE 3.44Å; D369-K373 WeakPolarHBondContact O-CG 3.3Å; D369-K373 PolarHBondContact O-NZ 3.36Å; D369-K373 IonicContact OD1-NZ 3.89Å; D369-K373 IonicContact OD2-NZ 2.78Å; D369-K373 PolarHBondContact OD2-NZ 3.47Å
370T61.4Low66.3Low99 Ų9936 Ų3661%0.60720%0.195SC*.Hα-helixtrans-79.1-40.1170.551.50000111.8S367 R368 K373 G374S367-T370 PolarHBondContact O-OG1 3Å; R368-T370 VanDerWaalsContact C-N 3.29Å; R368-T370 PolarHBondContact O-N 2.95Å; T370-K373 PolarHBondContact O-N 3Å; T370-G374 PolarHBondContact O-N 3.31Å
371M65.3Low67.8Low44 Ų4435.7 Ų35.722%0.21719%0.192CC..Hα-helixtrans-60-51.5-176.3-167.8-154.8-3500112.5M205 K338 R368 K373 G374 I375M205-M371 HydrophobicContact CE-SD 3.57Å; M205-M371 VanDerWaalsContact CE-SD 3.57Å; K338-M371 HydrophobicContact CB-CE 4.38Å; K338-M371 HydrophobicContact CG-CE 3.38Å; K338-M371 HydrophobicContact CG-SD 4.14Å; K338-M371 WeakPolarHBondContact O-CE 3.41Å; R368-M371 HydrophobicContact CB-CE 4.02Å; R368-M371 HydrophobicContact CG-CE 3.99Å; R368-M371 WeakPolarHBondContact O-CB 3.36Å; R368-M371 PolarHBondContact O-N 2.88Å; M371-K373 VanDerWaalsContact C-N 3.26Å; M371-K373 PolarHBondContact O-N 3.03Å; M371-G374 PolarHBondContact O-N 3.32Å; M371-G374 VanDerWaalsContact O-N 3.08Å; M371-I375 HydrophobicContact CG-CD1 4.26Å; M371-I375 PolarHBondContact O-N 3.31Å; M371-I375 HydrophobicContact SD-CD1 4.46Å
372W67.7Low69.5Low11 Ų1133.3 Ų33.34%0.04218%0.179CC..Hα-helixtrans-66.3-29.8-176.173.7-103.2000112.1L358 R368 D369 G374 I375 F376 V404L358-W372 HydrophobicContact CD2-CB 4.24Å; R368-W372 PolarHBondContact O-N 2.9Å; D369-W372 PolarHBondContact O-NE1 3.35Å; D369-W372 WeakPolarHBondContact OD1-CZ2 3.47Å; D369-W372 PolarHBondContact OD1-NE1 3Å; W372-G374 VanDerWaalsContact C-N 3.33Å; W372-G374 PolarHBondContact O-N 3.47Å; W372-I375 PolarHBondContact O-N 3.06Å; W372-F376 HydrophobicContact CD2-CE2 4.46Å; W372-F376 AromaticContact CE3-CD2 3.47Å; W372-F376 HydrophobicContact CE3-CD2 3.47Å; W372-F376 VanDerWaalsContact CE3-CD2 3.47Å; W372-F376 AromaticContact CE3-CE2 3.38Å; W372-F376 HydrophobicContact CE3-CE2 3.38Å; W372-F376 HydrophobicContact CE3-CG 4.11Å; W372-F376 HydrophobicContact CE3-CZ 4.03Å; W372-F376 HydrophobicContact CZ3-CD1 4.3Å; W372-F376 AromaticContact CZ3-CD2 3.91Å; W372-F376 HydrophobicContact CZ3-CD2 3.91Å; W372-F376 HydrophobicContact CZ3-CE1 4.23Å; W372-F376 AromaticContact CZ3-CE2 3.75Å; W372-F376 HydrophobicContact CZ3-CE2 3.75Å; W372-F376 HydrophobicContact CZ3-CG 4.14Å; W372-F376 AromaticContact CZ3-CZ 3.93Å; W372-F376 HydrophobicContact CZ3-CZ 3.93Å; W372-F376 VanDerWaalsContact O-CD2 3.27Å; W372-F376 WeakPolarHBondContact O-CD2 3.46Å; W372-F376 PolarHBondContact O-N 3.01Å; W372-V404 HydrophobicContact CH2-CG1 4.28Å; W372-V404 HydrophobicContact CZ3-CG1 4.07Å
373K67.7Low71.4Confident37 Ų3732.5 Ų32.516%0.16117%0.171CC..Hα-helixtrans-68.2-31.4174.3-64.9170.2-166.6158.30112.7D369 T370 M371D369-K373 VanDerWaalsContact CG-NZ 3.27Å; D369-K373 WeakPolarHBondContact O-CD 3.21Å; D369-K373 WeakPolarHBondContact O-CE 3.44Å; D369-K373 WeakPolarHBondContact O-CG 3.3Å; D369-K373 PolarHBondContact O-NZ 3.36Å; D369-K373 IonicContact OD1-NZ 3.89Å; D369-K373 IonicContact OD2-NZ 2.78Å; D369-K373 PolarHBondContact OD2-NZ 3.47Å; T370-K373 PolarHBondContact O-N 3Å; M371-K373 VanDerWaalsContact C-N 3.26Å; M371-K373 PolarHBondContact O-N 3.03Å
374G69.4Low73.3Confident31 Ų3131.5 Ų31.532%0.3217%0.165SC..Hα-helixtrans-59.6-56.8168.200000110.5T370 M371 W372 F376 G377T370-G374 PolarHBondContact O-N 3.31Å; M371-G374 PolarHBondContact O-N 3.32Å; M371-G374 VanDerWaalsContact O-N 3.08Å; W372-G374 VanDerWaalsContact C-N 3.33Å; W372-G374 PolarHBondContact O-N 3.47Å; G374-F376 VanDerWaalsContact C-N 3.35Å; G374-F376 PolarHBondContact O-N 3.18Å; G374-G377 WeakPolarHBondContact O-CA 3.28Å; G374-G377 PolarHBondContact O-N 3.45Å
375I75.1Confident75.2Confident32 Ų3226.7 Ų26.716%0.16415%0.147CC..Hα-helixtrans-58-40.3-177.1-68.9171.3000112.6L168 M205 M371 W372 G377 D378 C379L168-I375 HydrophobicContact CD2-CG2 4.1Å; M205-I375 HydrophobicContact CE-CD1 3.43Å; M205-I375 VanDerWaalsContact CE-CD1 3.43Å; M205-I375 HydrophobicContact SD-CD1 3.46Å; M205-I375 WeakPolarHBondContact SD-CD1 3.29Å; M371-I375 HydrophobicContact CG-CD1 4.26Å; M371-I375 PolarHBondContact O-N 3.31Å; M371-I375 HydrophobicContact SD-CD1 4.46Å; W372-I375 PolarHBondContact O-N 3.06Å; I375-G377 PolarHBondContact O-N 2.86Å; I375-D378 PolarHBondContact O-N 3.43Å; I375-C379 PolarHBondContact O-N 3.01Å; I375-C379 VanDerWaalsContact O-N 3.07Å; I375-C379 PolarHBondContact O-SG 3.35Å; I375-C379 VanDerWaalsContact O-SG 3.36Å
376F75.3Confident76.8Confident4 Ų426.7 Ų26.72%0.01815%0.148CC..Hα-helixtrans-54.2-35.9172.4-96-120.7000112.4F172 L358 W372 G374 D378 C379 V404 I408F172-F376 HydrophobicContact CB-CZ 4.02Å; F172-F376 AromaticContact CD1-CE1 3.89Å; F172-F376 HydrophobicContact CD1-CE1 3.89Å; F172-F376 AromaticContact CD1-CZ 3.94Å; F172-F376 HydrophobicContact CD1-CZ 3.94Å; F172-F376 HydrophobicContact CE1-CE1 4.25Å; F172-F376 HydrophobicContact CG-CE1 4.48Å; F172-F376 HydrophobicContact CG-CZ 4.16Å; L358-F376 HydrophobicContact CD1-CD2 4.34Å; L358-F376 HydrophobicContact CD1-CE2 3.38Å; L358-F376 HydrophobicContact CD1-CZ 3.83Å; L358-F376 HydrophobicContact CD2-CE2 4.1Å; L358-F376 HydrophobicContact CG-CE2 4.34Å; W372-F376 HydrophobicContact CD2-CE2 4.46Å; W372-F376 AromaticContact CE3-CD2 3.47Å; W372-F376 HydrophobicContact CE3-CD2 3.47Å; W372-F376 VanDerWaalsContact CE3-CD2 3.47Å; W372-F376 AromaticContact CE3-CE2 3.38Å; W372-F376 HydrophobicContact CE3-CE2 3.38Å; W372-F376 HydrophobicContact CE3-CG 4.11Å; W372-F376 HydrophobicContact CE3-CZ 4.03Å; W372-F376 HydrophobicContact CZ3-CD1 4.3Å; W372-F376 AromaticContact CZ3-CD2 3.91Å; W372-F376 HydrophobicContact CZ3-CD2 3.91Å; W372-F376 HydrophobicContact CZ3-CE1 4.23Å; W372-F376 AromaticContact CZ3-CE2 3.75Å; W372-F376 HydrophobicContact CZ3-CE2 3.75Å; W372-F376 HydrophobicContact CZ3-CG 4.14Å; W372-F376 AromaticContact CZ3-CZ 3.93Å; W372-F376 HydrophobicContact CZ3-CZ 3.93Å; W372-F376 VanDerWaalsContact O-CD2 3.27Å; W372-F376 WeakPolarHBondContact O-CD2 3.46Å; W372-F376 PolarHBondContact O-N 3.01Å; G374-F376 VanDerWaalsContact C-N 3.35Å; G374-F376 PolarHBondContact O-N 3.18Å; F376-D378 PolarHBondContact O-N 2.79Å; F376-C379 WeakPolarHBondContact O-CB 3.26Å; F376-C379 PolarHBondContact O-N 2.71Å; F376-V404 HydrophobicContact CD1-CB 3.95Å; F376-V404 HydrophobicContact CD1-CG1 3.91Å; F376-V404 HydrophobicContact CD1-CG2 3.98Å; F376-V404 HydrophobicContact CE1-CB 4.25Å; F376-V404 HydrophobicContact CE1-CG1 3.95Å; F376-V404 HydrophobicContact CE1-CG2 3.97Å; F376-I408 HydrophobicContact CB-CG2 3.75Å; F376-I408 HydrophobicContact CD1-CG2 3.67Å; F376-I408 HydrophobicContact CG-CG2 4.16Å; F376-I408 VanDerWaalsContact O-CG2 3.29Å; F376-I408 WeakPolarHBondContact O-CG2 3.27Å
377G79.6Confident78.6Confident0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-61-32.6175.100000114.8G374 I375 G412 E413 K701G374-G377 WeakPolarHBondContact O-CA 3.28Å; G374-G377 PolarHBondContact O-N 3.45Å; I375-G377 PolarHBondContact O-N 2.86Å; G377-G412 CarbonylContact O-C 3.54Å; G377-G412 VanDerWaalsContact O-CA 3.29Å; G377-G412 WeakPolarHBondContact O-CA 3.45Å; G377-E413 PolarHBondContact O-N 2.89Å; G377-K701 WeakPolarHBondContact O-CE 3Å; G377-K701 PolarHBondContact O-NZ 3.19Å
378D85.2Confident80.3Confident84 Ų8421.2 Ų21.245%0.44912%0.119SC..Hα-helixtrans-94.5-12.8-175.6-58.1-40000112.2L168 I375 F376 S380 K701L168-D378 HydrophobicContact CD2-CB 4.01Å; I375-D378 PolarHBondContact O-N 3.43Å; F376-D378 PolarHBondContact O-N 2.79Å; D378-S380 PolarHBondContact O-N 2.69Å; D378-S380 VanDerWaalsContact O-N 3.16Å; D378-K701 IonicContact OD1-NZ 3.71Å; D378-K701 PolarHBondContact OD1-NZ 2.93Å
379C88.9Confident81.3Confident0 Ų025.5 Ų25.50%014%0.142CC..  trans-57.8115169.4-68.30000111.3L168 I375 F376 V382 E413 C414L168-C379 CarbonylContact O-C 3.55Å; L168-C379 WeakPolarHBondContact O-CA 3.46Å; I375-C379 PolarHBondContact O-N 3.01Å; I375-C379 VanDerWaalsContact O-N 3.07Å; I375-C379 PolarHBondContact O-SG 3.35Å; I375-C379 VanDerWaalsContact O-SG 3.36Å; F376-C379 WeakPolarHBondContact O-CB 3.26Å; F376-C379 PolarHBondContact O-N 2.71Å; C379-V382 HydrophobicContact CB-CG2 3.76Å; C379-E413 CarbonylContact O-C 3.57Å; C379-C414 WeakPolarHBondContact O-CA 3.4Å; C379-C414 WeakPolarHBondContact O-CB 3.21Å; C379-C414 PolarHBondContact O-N 3.16Å
380S90.2Very high82.3Confident3 Ų330.3 Ų30.32%0.02116%0.158CC..SBendtrans-80.1-24.5169.462.30000112E167 L168 D378 C414 R415 H416E167-S380 WeakPolarHBondContact OE2-CB 3.45Å; E167-S380 PolarHBondContact OE2-OG 3.28Å; L168-S380 PolarHBondContact N-OG 3.09Å; L168-S380 PolarHBondContact O-N 3.34Å; L168-S380 PolarHBondContact O-OG 2.91Å; D378-S380 PolarHBondContact O-N 2.69Å; D378-S380 VanDerWaalsContact O-N 3.16Å; S380-C414 WeakPolarHBondContact O-CA 3.39Å; S380-R415 PolarHBondContact O-N 2.65Å; S380-H416 PolarHBondContact O-N 3.13Å
381T92.7Very high83.4Confident0 Ų025.7 Ų25.70%013%0.13CC..EExtended strand (participates in β ladder)trans-131.7145.3172.2-59.40000110.3L168 V169 G170 H416 F501L168-T381 PolarHBondContact O-N 2.92Å; L168-T381 VanDerWaalsContact O-N 3.09Å; V169-T381 WeakPolarHBondContact CA-O 3.32Å; V169-T381 HydrophobicContact CG1-CG2 4.15Å; G170-T381 PolarHBondContact N-O 2.67Å; T381-H416 WeakPolarHBondContact CA-O 3.44Å; T381-H416 HydrophobicContact CG2-CB 4.02Å; T381-F501 HydrophobicContact CG2-CE1 3.75Å; T381-F501 HydrophobicContact CG2-CZ 3.81Å; T381-F501 WeakPolarHBondContact OG1-CZ 3.3Å
382V92.1Very high84.3Confident1 Ų125 Ų251%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-131.5128.3176.2-176.20000110.3G170 F172 C379 I408 C414 H416 I417 H418G170-V382 CarbonylContact O-C 3.59Å; G170-V382 WeakPolarHBondContact O-CA 3.43Å; F172-V382 HydrophobicContact CD1-CG1 3.45Å; F172-V382 VanDerWaalsContact CD1-CG1 3.45Å; F172-V382 HydrophobicContact CE1-CG1 3.41Å; F172-V382 VanDerWaalsContact CE1-CG1 3.41Å; C379-V382 HydrophobicContact CB-CG2 3.76Å; V382-I408 HydrophobicContact CG2-CD1 4.28Å; V382-C414 HydrophobicContact CG2-CB 4.41Å; V382-H416 PolarHBondContact N-O 3.05Å; V382-I417 WeakPolarHBondContact O-CA 3.32Å; V382-H418 PolarHBondContact O-N 3.36Å
383W93.6Very high84.9Confident0 Ų028.1 Ų28.10%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5123177.2-66.82.1000110V169 G170 V171 F172 L182 V186 H418 V420 L498 L502V169-W383 HydrophobicContact CG1-CD2 3.97Å; V169-W383 HydrophobicContact CG1-CG 4.17Å; V169-W383 HydrophobicContact CG1-CZ2 4.12Å; G170-W383 PolarHBondContact O-N 2.9Å; V171-W383 HydrophobicContact CG1-CB 4.37Å; V171-W383 HydrophobicContact CG1-CE3 4.47Å; V171-W383 HydrophobicContact CG2-CB 4.38Å; V171-W383 HydrophobicContact CG2-CD2 4.37Å; V171-W383 HydrophobicContact CG2-CE3 3.86Å; F172-W383 PolarHBondContact N-O 2.87Å; L182-W383 HydrophobicContact CD2-CE3 3.9Å; L182-W383 HydrophobicContact CD2-CZ3 4.17Å; L182-W383 HydrophobicContact CG-CZ3 4.32Å; V186-W383 HydrophobicContact CG1-CH2 4.2Å; V186-W383 HydrophobicContact CG2-CH2 4.12Å; V186-W383 HydrophobicContact CG2-CZ3 4.16Å; W383-H418 CarbonylContact C-O 3.49Å; W383-H418 WeakPolarHBondContact CA-O 3.23Å; W383-H418 AromaticContact CD1-CG 3.92Å; W383-H418 AromaticContact CD1-ND1 3.74Å; W383-H418 HydrophobicContact CG-CB 4.35Å; W383-H418 AromaticContact NE1-CG 3.98Å; W383-H418 AromaticContact NE1-ND1 3.32Å; W383-H418 PolarHBondContact NE1-ND1 3.49Å; W383-V420 HydrophobicContact CB-CG2 4.39Å; W383-V420 HydrophobicContact CG-CG2 4.46Å; W383-L498 HydrophobicContact CH2-CB 4.27Å; W383-L498 HydrophobicContact CH2-CD2 4.49Å; W383-L498 HydrophobicContact CZ2-CB 4.44Å; W383-L498 HydrophobicContact CZ2-CD2 4.08Å; W383-L502 HydrophobicContact CH2-CD1 4.24Å; W383-L502 HydrophobicContact CH2-CD2 4.25Å; W383-L502 HydrophobicContact CH2-CG 4.33Å; W383-L502 HydrophobicContact CZ2-CD2 3.81Å; W383-L502 HydrophobicContact CZ2-CG 4.24Å
384V90.8Very high85.6Confident1 Ų126.9 Ų26.91%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-102.495.1179.9-169.50000108.3F172 L401 I417 H418 I419 V420F172-V384 HydrophobicContact CE1-CB 4.48Å; F172-V384 HydrophobicContact CE1-CG2 3.71Å; F172-V384 HydrophobicContact CE2-CG1 3.83Å; F172-V384 HydrophobicContact CE2-CG2 4.43Å; F172-V384 HydrophobicContact CZ-CB 4.17Å; F172-V384 HydrophobicContact CZ-CG1 3.81Å; F172-V384 HydrophobicContact CZ-CG2 3.62Å; V384-L401 HydrophobicContact CG2-CD1 4.12Å; V384-L401 HydrophobicContact CG2-CD2 4.48Å; V384-I417 HydrophobicContact CG2-CG2 3.94Å; V384-H418 PolarHBondContact N-O 3.47Å; V384-I419 HydrophobicContact CB-CD1 3.62Å; V384-I419 HydrophobicContact CG1-CD1 4.15Å; V384-I419 HydrophobicContact CG2-CD1 3.64Å; V384-V420 PolarHBondContact O-N 3.29Å
385V91Very high85.9Confident0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-85.8129.5-174.1-170.80000110.2V171 F172 G173 A177 K179 L182 V420 T422V171-V385 HydrophobicContact CG1-CG2 3.58Å; F172-V385 PolarHBondContact O-N 3.26Å; G173-V385 WeakPolarHBondContact CA-O 3.3Å; A177-V385 HydrophobicContact CB-CG1 4.28Å; A177-V385 VanDerWaalsContact O-CG1 3.29Å; A177-V385 WeakPolarHBondContact O-CG1 3.25Å; K179-V385 HydrophobicContact CD-CB 4.34Å; K179-V385 HydrophobicContact CD-CG2 4.36Å; K179-V385 HydrophobicContact CG-CB 3.8Å; K179-V385 HydrophobicContact CG-CG1 4Å; K179-V385 HydrophobicContact CG-CG2 3.94Å; L182-V385 HydrophobicContact CD2-CG2 4.03Å; V385-V420 WeakPolarHBondContact CA-O 3.44Å; V385-T422 HydrophobicContact CG1-CG2 3.49Å; V385-T422 VanDerWaalsContact CG1-CG2 3.49Å
386T90.8Very high85.9Confident5 Ų531.4 Ų31.43%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-150.3153.8-178.9-173.20000110.4A391 I419 V420 C421 T422T386-A391 HydrophobicContact CG2-CB 3.64Å; T386-I419 HydrophobicContact CG2-CG2 4.12Å; T386-V420 PolarHBondContact N-O 2.94Å; T386-C421 CarbonylContact O-C 3.54Å; T386-C421 VanDerWaalsContact O-CA 3.24Å; T386-C421 WeakPolarHBondContact O-CA 3.24Å; T386-T422 PolarHBondContact O-N 2.65Å; T386-T422 PolarHBondContact O-OG1 3.24Å
387E91.2Very high86.1Confident47 Ų4731.4 Ų31.422%0.2216%0.162CC..EExtended strand (participates in β ladder)trans-79.7133.4-179.8-55.1-169.4-171.400110.6A177 N389 R390 A391 K423A177-E387 HydrophobicContact CB-CG 4.18Å; E387-N389 PolarHBondContact O-N 2.92Å; E387-N389 VanDerWaalsContact O-N 3.12Å; E387-R390 CarbonylContact O-C 3.56Å; E387-R390 PolarHBondContact O-N 2.88Å; E387-A391 PolarHBondContact O-N 3.41Å; E387-K423 VanDerWaalsContact CD-CE 3.42Å; E387-K423 HydrophobicContact CG-CD 4.26Å; E387-K423 WeakPolarHBondContact OE1-CE 3.49Å; E387-K423 IonicContact OE1-NZ 2.69Å; E387-K423 PolarHBondContact OE1-NZ 3.43Å; E387-K423 WeakPolarHBondContact OE2-CE 3.45Å; E387-K423 IonicContact OE2-NZ 2.68Å; E387-K423 PolarHBondContact OE2-NZ 3.31Å
388I91.3Very high86.1Confident12 Ų1231.9 Ų31.96%0.06216%0.164CC..THydrogen-bonded Turntrans-55.6-36.7-172.6-167.4169.5000113.5R390 A391 C421 T422 K423 N446 A449 T476I388-R390 PolarHBondContact O-N 2.94Å; I388-A391 PolarHBondContact O-N 3.44Å; I388-C421 HydrophobicContact CB-CB 4.16Å; I388-C421 HydrophobicContact CG1-CB 4.19Å; I388-T422 WeakPolarHBondContact CB-O 3.29Å; I388-T422 WeakPolarHBondContact CG2-O 3.35Å; I388-T422 PolarHBondContact N-O 2.9Å; I388-K423 VanDerWaalsContact CG2-O 3.29Å; I388-K423 WeakPolarHBondContact CG2-O 3.42Å; I388-N446 WeakPolarHBondContact CD1-OD1 3.39Å; I388-A449 HydrophobicContact CD1-CB 4.04Å; I388-A449 HydrophobicContact CG1-CB 3.74Å; I388-T476 HydrophobicContact CD1-CG2 3.96Å
389N86.4Confident85.7Confident93 Ų9329.8 Ų29.850%0.49715%0.153SC..THydrogen-bonded Turntrans-65.5-15.7179.1-76.7-34.9000113.5E387 D426 R445E387-N389 PolarHBondContact O-N 2.92Å; E387-N389 VanDerWaalsContact O-N 3.12Å; N389-D426 PolarHBondContact ND2-O 3.44Å; N389-D426 PolarHBondContact ND2-OD2 3.41Å; N389-R445 PolarHBondContact ND2-NH1 3.22Å; N389-R445 PolarHBondContact OD1-NH1 2.79Å
390R82.9Confident85Confident132 Ų13230.5 Ų30.550%0.49816%0.157SC..THydrogen-bonded Turntrans-128.62.3179.4-68.2172.657.3126.8-0.8113.9E387 I388 A392 S393 E394E387-R390 CarbonylContact O-C 3.56Å; E387-R390 PolarHBondContact O-N 2.88Å; I388-R390 PolarHBondContact O-N 2.94Å; R390-A392 VanDerWaalsContact C-N 3.29Å; R390-A392 PolarHBondContact O-N 2.64Å; R390-S393 CarbonylContact O-C 3.56Å; R390-S393 PolarHBondContact O-N 2.85Å; R390-S393 PolarHBondContact O-OG 2.95Å; R390-E394 IonicContact CZ-OE2 2.81Å; R390-E394 IonicContact NE-OE2 2.68Å; R390-E394 PolarHBondContact NE-OE2 3.1Å; R390-E394 IonicContact NH2-OE1 2.78Å; R390-E394 IonicContact NH2-OE2 2.72Å; R390-E394 PolarHBondContact NH2-OE2 3.08Å; R390-E394 WeakPolarHBondContact O-CB 3.35Å; R390-E394 PolarHBondContact O-N 2.92Å
391A83.3Confident84.6Confident3 Ų330.4 Ų30.43%0.02516%0.156CC..THydrogen-bonded Turntrans-54.5-35.8-166.200000115.8T386 E387 I388 C421 V453T386-A391 HydrophobicContact CG2-CB 3.64Å; E387-A391 PolarHBondContact O-N 3.41Å; I388-A391 PolarHBondContact O-N 3.44Å; A391-C421 HydrophobicContact CB-CB 4.38Å; A391-C421 VanDerWaalsContact CB-SG 3.52Å; A391-V453 HydrophobicContact CB-CG2 3.7Å
392A84.3Confident84Confident28 Ų2833.5 Ų33.523%0.23117%0.169CC..THydrogen-bonded Turntrans-80.6-30.9175.800000113.1R390 W398 E456R390-A392 VanDerWaalsContact C-N 3.29Å; R390-A392 PolarHBondContact O-N 2.64Å; A392-W398 PolarHBondContact O-NE1 3.48Å; A392-E456 HydrophobicContact CB-CG 4.06Å
393S82Confident83.3Confident78 Ų7835 Ų3555%0.54518%0.177SC..THydrogen-bonded Turntrans-96.1-9.6-174.449.40000114.8R390 Q395R390-S393 CarbonylContact O-C 3.56Å; R390-S393 PolarHBondContact O-N 2.85Å; R390-S393 PolarHBondContact O-OG 2.95Å; S393-Q395 PolarHBondContact O-N 3.39Å
394E80.9Confident82.5Confident10 Ų1035.1 Ų35.15%0.04718%0.178CC..  trans-72.582.2-176.3-164.659.2-135.500112.8K174 R390 E396 S397 W398K174-E394 IonicContact NZ-OE1 2.72Å; K174-E394 PolarHBondContact NZ-OE1 2.81Å; R390-E394 IonicContact CZ-OE2 2.81Å; R390-E394 IonicContact NE-OE2 2.68Å; R390-E394 PolarHBondContact NE-OE2 3.1Å; R390-E394 IonicContact NH2-OE1 2.78Å; R390-E394 IonicContact NH2-OE2 2.72Å; R390-E394 PolarHBondContact NH2-OE2 3.08Å; R390-E394 WeakPolarHBondContact O-CB 3.35Å; R390-E394 PolarHBondContact O-N 2.92Å; E394-E396 PolarHBondContact O-N 3.08Å; E394-E396 VanDerWaalsContact O-N 3.11Å; E394-S397 PolarHBondContact O-N 3.49Å; E394-W398 PolarHBondContact O-N 2.96Å
395Q77.2Confident82.3Confident107 Ų10735.1 Ų35.150%0.518%0.178SC..Hα-helixtrans-57.3-26.2-178.1-64.6-56.2-39.100113.9S393 W398 D399S393-Q395 PolarHBondContact O-N 3.39Å; Q395-W398 PolarHBondContact O-N 3.14Å; Q395-D399 VanDerWaalsContact O-CB 3.32Å; Q395-D399 WeakPolarHBondContact O-CB 3.34Å; Q395-D399 PolarHBondContact O-N 3.37Å
396E75Confident82Confident52 Ų5235.9 Ų35.924%0.24318%0.183CC..Hα-helixtrans-65.6-51.4-179.3-172.2164.1-154.500112.1K174 N361 E394 W398 D399 I400K174-E396 WeakPolarHBondContact CG-OE2 3.42Å; K174-E396 IonicContact NZ-OE2 2.75Å; K174-E396 PolarHBondContact NZ-OE2 2.93Å; N361-E396 PolarHBondContact ND2-OE1 3.39Å; E394-E396 PolarHBondContact O-N 3.08Å; E394-E396 VanDerWaalsContact O-N 3.11Å; E396-W398 VanDerWaalsContact C-N 3.27Å; E396-W398 PolarHBondContact O-N 3.09Å; E396-D399 PolarHBondContact O-N 2.93Å; E396-I400 HydrophobicContact CG-CD1 4.32Å; E396-I400 VanDerWaalsContact O-CG1 3.31Å; E396-I400 WeakPolarHBondContact O-CG1 3.42Å; E396-I400 PolarHBondContact O-N 3.04Å
397S77.6Confident81.6Confident3 Ų337.8 Ų37.82%0.02119%0.192CC..Hα-helixtrans-62.1-35.9174.5-62.90000111.8E394 L401E394-S397 PolarHBondContact O-N 3.49Å; S397-L401 WeakPolarHBondContact O-CB 3.43Å; S397-L401 PolarHBondContact O-N 3.2Å; S397-L401 VanDerWaalsContact O-N 3.1Å
398W80.1Confident81.4Confident10 Ų1035.6 Ų35.64%0.03818%0.181CC..Hα-helixtrans-68.8-39.6175.1-64.6129.8000113.4A392 E394 Q395 E396 L401 K402 I419 V453 E456 L457 L460A392-W398 PolarHBondContact O-NE1 3.48Å; E394-W398 PolarHBondContact O-N 2.96Å; Q395-W398 PolarHBondContact O-N 3.14Å; E396-W398 VanDerWaalsContact C-N 3.27Å; E396-W398 PolarHBondContact O-N 3.09Å; W398-L401 HydrophobicContact CE3-CD2 4.3Å; W398-L401 HydrophobicContact CZ3-CD2 4.25Å; W398-L401 PolarHBondContact O-N 3.39Å; W398-K402 WeakPolarHBondContact O-CB 3.42Å; W398-K402 WeakPolarHBondContact O-CD 3.07Å; W398-K402 WeakPolarHBondContact O-CE 3.3Å; W398-K402 WeakPolarHBondContact O-CG 3.48Å; W398-K402 PolarHBondContact O-N 3.23Å; W398-I419 HydrophobicContact CH2-CD1 4.12Å; W398-I419 HydrophobicContact CH2-CG1 4.14Å; W398-I419 HydrophobicContact CH2-CG2 4.32Å; W398-I419 HydrophobicContact CZ3-CD1 3.92Å; W398-I419 HydrophobicContact CZ3-CG1 4.41Å; W398-V453 HydrophobicContact CH2-CG1 3.94Å; W398-V453 HydrophobicContact CZ2-CG1 4.15Å; W398-E456 HydrophobicContact CZ2-CB 4.49Å; W398-L457 HydrophobicContact CH2-CD2 3.88Å; W398-L457 HydrophobicContact CH2-CG 3.83Å; W398-L457 HydrophobicContact CZ3-CD2 3.55Å; W398-L457 HydrophobicContact CZ3-CG 4.04Å; W398-L460 HydrophobicContact CD2-CD1 4.23Å; W398-L460 HydrophobicContact CE3-CD1 3.67Å; W398-L460 HydrophobicContact CZ3-CD1 4.15Å
399D77Confident81.3Confident40 Ų4035 Ų3521%0.21418%0.178CC..Hα-helixtrans-72.3-37.1178.1-86.46000111.9Q395 E396 K402 N403Q395-D399 VanDerWaalsContact O-CB 3.32Å; Q395-D399 WeakPolarHBondContact O-CB 3.34Å; Q395-D399 PolarHBondContact O-N 3.37Å; E396-D399 PolarHBondContact O-N 2.93Å; D399-K402 PolarHBondContact O-N 3.32Å; D399-K402 WeakPolarHBondContact OD1-CD 3.34Å; D399-K402 IonicContact OD1-NZ 2.69Å; D399-K402 PolarHBondContact OD1-NZ 2.7Å; D399-N403 WeakPolarHBondContact O-CB 3.46Å; D399-N403 PolarHBondContact O-N 2.83Å; D399-N403 PolarHBondContact O-ND2 2.72Å; D399-N403 PolarHBondContact O-OD1 3.17Å
400I75.5Confident81.5Confident16 Ų1630.7 Ų30.78%0.08216%0.155CC..Hα-helixtrans-57.6-50.8169.6-65.4164.3000109.4F172 E396 K402 N403 V404F172-I400 HydrophobicContact CD2-CB 4.27Å; F172-I400 HydrophobicContact CD2-CD1 4.48Å; F172-I400 HydrophobicContact CD2-CG2 3.58Å; F172-I400 HydrophobicContact CE2-CB 3.77Å; F172-I400 HydrophobicContact CE2-CG2 3.35Å; F172-I400 HydrophobicContact CG-CG2 4.38Å; F172-I400 HydrophobicContact CZ-CG2 3.95Å; E396-I400 HydrophobicContact CG-CD1 4.32Å; E396-I400 VanDerWaalsContact O-CG1 3.31Å; E396-I400 WeakPolarHBondContact O-CG1 3.42Å; E396-I400 PolarHBondContact O-N 3.04Å; I400-K402 PolarHBondContact O-N 3.4Å; I400-N403 PolarHBondContact O-N 3.18Å; I400-N403 VanDerWaalsContact O-N 3.17Å; I400-V404 WeakPolarHBondContact O-CG2 3.36Å; I400-V404 PolarHBondContact O-N 3.02Å
401L80.7Confident81.7Confident0 Ų024.4 Ų24.40%013%0.132CC..Hα-helixtrans-60.2-45.2179.4-16965.8000112.2F172 V384 S397 W398 N403 V404 A405 I408 I417 I463F172-L401 HydrophobicContact CE1-CD1 4.2Å; F172-L401 HydrophobicContact CZ-CB 4.06Å; F172-L401 HydrophobicContact CZ-CD1 3.95Å; V384-L401 HydrophobicContact CG2-CD1 4.12Å; V384-L401 HydrophobicContact CG2-CD2 4.48Å; S397-L401 WeakPolarHBondContact O-CB 3.43Å; S397-L401 PolarHBondContact O-N 3.2Å; S397-L401 VanDerWaalsContact O-N 3.1Å; W398-L401 HydrophobicContact CE3-CD2 4.3Å; W398-L401 HydrophobicContact CZ3-CD2 4.25Å; W398-L401 PolarHBondContact O-N 3.39Å; L401-N403 VanDerWaalsContact C-N 3.29Å; L401-N403 PolarHBondContact O-N 2.61Å; L401-V404 PolarHBondContact O-N 2.7Å; L401-A405 WeakPolarHBondContact O-CB 3.41Å; L401-A405 PolarHBondContact O-N 3.29Å; L401-I408 HydrophobicContact CD1-CD1 4.42Å; L401-I417 HydrophobicContact CD1-CD1 4.44Å; L401-I417 HydrophobicContact CD1-CG2 4.26Å; L401-I417 HydrophobicContact CD2-CG2 4.47Å; L401-I463 HydrophobicContact CB-CD1 4.38Å; L401-I463 HydrophobicContact CD2-CD1 3.82Å; L401-I463 HydrophobicContact CG-CD1 3.86Å
402K80.8Confident82Confident66 Ų6624.2 Ų24.229%0.28713%0.13SC..Hα-helixtrans-58.4-38.7175.8-71.2162.3-146.8156.30112.4W398 D399 I400 L460 I463W398-K402 WeakPolarHBondContact O-CB 3.42Å; W398-K402 WeakPolarHBondContact O-CD 3.07Å; W398-K402 WeakPolarHBondContact O-CE 3.3Å; W398-K402 WeakPolarHBondContact O-CG 3.48Å; W398-K402 PolarHBondContact O-N 3.23Å; D399-K402 PolarHBondContact O-N 3.32Å; D399-K402 WeakPolarHBondContact OD1-CD 3.34Å; D399-K402 IonicContact OD1-NZ 2.69Å; D399-K402 PolarHBondContact OD1-NZ 2.7Å; I400-K402 PolarHBondContact O-N 3.4Å; K402-L460 HydrophobicContact CD-CD2 4.48Å; K402-I463 HydrophobicContact CG-CD1 4.08Å; K402-I463 HydrophobicContact CG-CG1 4.42Å
403N76.1Confident82.1Confident32 Ų3224.6 Ų24.617%0.17113%0.127CC..Hα-helixtrans-76-35.9-176.9-66.2-19.5000112.3D399 I400 L401D399-N403 WeakPolarHBondContact O-CB 3.46Å; D399-N403 PolarHBondContact O-N 2.83Å; D399-N403 PolarHBondContact O-ND2 2.72Å; D399-N403 PolarHBondContact O-OD1 3.17Å; I400-N403 PolarHBondContact O-N 3.18Å; I400-N403 VanDerWaalsContact O-N 3.17Å; L401-N403 VanDerWaalsContact C-N 3.29Å; L401-N403 PolarHBondContact O-N 2.61Å
404V78Confident82.5Confident2 Ų220.9 Ų20.91%0.01210%0.101CC..Hα-helixtrans-87.7-17.1179.3-55.80000114.2W372 F376 I400 L401 S406 Q407 I408W372-V404 HydrophobicContact CH2-CG1 4.28Å; W372-V404 HydrophobicContact CZ3-CG1 4.07Å; F376-V404 HydrophobicContact CD1-CB 3.95Å; F376-V404 HydrophobicContact CD1-CG1 3.91Å; F376-V404 HydrophobicContact CD1-CG2 3.98Å; F376-V404 HydrophobicContact CE1-CB 4.25Å; F376-V404 HydrophobicContact CE1-CG1 3.95Å; F376-V404 HydrophobicContact CE1-CG2 3.97Å; I400-V404 WeakPolarHBondContact O-CG2 3.36Å; I400-V404 PolarHBondContact O-N 3.02Å; L401-V404 PolarHBondContact O-N 2.7Å; V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 2.71Å; V404-Q407 WeakPolarHBondContact O-CA 3.32Å; V404-Q407 WeakPolarHBondContact O-CB 3.39Å; V404-Q407 PolarHBondContact O-N 2.88Å; V404-I408 HydrophobicContact CB-CG2 4.36Å; V404-I408 HydrophobicContact CG2-CD1 4.19Å; V404-I408 HydrophobicContact CG2-CG1 4.22Å; V404-I408 HydrophobicContact CG2-CG2 4.37Å; V404-I408 WeakPolarHBondContact O-CG1 3.43Å; V404-I408 PolarHBondContact O-N 3.38Å
405A85.6Confident82.8Confident1 Ų122.4 Ų22.41%0.00811%0.107CC..Hα-helixtrans-50.6-39.4-168.500000114.9L401 G409 I463 F467L401-A405 WeakPolarHBondContact O-CB 3.41Å; L401-A405 PolarHBondContact O-N 3.29Å; A405-G409 WeakPolarHBondContact O-CA 3.38Å; A405-G409 PolarHBondContact O-N 3.13Å; A405-I463 HydrophobicContact CB-CB 4.46Å; A405-I463 HydrophobicContact CB-CG1 4.12Å; A405-I463 HydrophobicContact CB-CG2 4.19Å; A405-F467 HydrophobicContact CB-CE2 4.35Å
406S85.2Confident83.5Confident16 Ų1619.8 Ų19.811%0.1129%0.094CC..Hα-helixtrans-74-27.8177.459.50000113.6V404 G411 M626 Y704V404-S406 VanDerWaalsContact C-N 3.27Å; V404-S406 PolarHBondContact O-N 2.71Å; S406-G411 WeakPolarHBondContact O-CA 3.48Å; S406-G411 PolarHBondContact O-N 3.28Å; S406-M626 WeakPolarHBondContact OG-CE 3.13Å; S406-Y704 WeakPolarHBondContact O-CE1 3.47Å
407Q83.2Confident84.3Confident46 Ų4617.3 Ų17.322%0.2158%0.083CC..Hα-helixtrans-79.8-29.4177.2-60.9-179.6-2300112.8V404 G411 G412 M626 R705V404-Q407 WeakPolarHBondContact O-CA 3.32Å; V404-Q407 WeakPolarHBondContact O-CB 3.39Å; V404-Q407 PolarHBondContact O-N 2.88Å; Q407-G411 CarbonylContact O-C 3.49Å; Q407-G411 VanDerWaalsContact O-O 3.09Å; Q407-G412 VanDerWaalsContact O-CA 3.26Å; Q407-G412 WeakPolarHBondContact O-CA 3.25Å; Q407-G412 PolarHBondContact O-N 3.07Å; Q407-G412 VanDerWaalsContact O-N 3.17Å; Q407-M626 HydrophobicContact CG-CE 4.38Å; Q407-R705 PolarHBondContact O-NH2 2.93Å; Q407-R705 VanDerWaalsContact O-NH2 3.12Å
408I87.2Confident85.1Confident0 Ų017.2 Ų17.20%08%0.082CC..Hα-helixtrans-94.4-33.3178.659.5155.1000113.7F376 V382 L401 V404 G412 E413 C414 I417 F467F376-I408 HydrophobicContact CB-CG2 3.75Å; F376-I408 HydrophobicContact CD1-CG2 3.67Å; F376-I408 HydrophobicContact CG-CG2 4.16Å; F376-I408 VanDerWaalsContact O-CG2 3.29Å; F376-I408 WeakPolarHBondContact O-CG2 3.27Å; V382-I408 HydrophobicContact CG2-CD1 4.28Å; L401-I408 HydrophobicContact CD1-CD1 4.42Å; V404-I408 HydrophobicContact CB-CG2 4.36Å; V404-I408 HydrophobicContact CG2-CD1 4.19Å; V404-I408 HydrophobicContact CG2-CG1 4.22Å; V404-I408 HydrophobicContact CG2-CG2 4.37Å; V404-I408 WeakPolarHBondContact O-CG1 3.43Å; V404-I408 PolarHBondContact O-N 3.38Å; I408-G412 CarbonylContact O-C 3.6Å; I408-G412 VanDerWaalsContact O-C 3.3Å; I408-G412 VanDerWaalsContact O-CA 3.3Å; I408-G412 WeakPolarHBondContact O-CA 3.48Å; I408-E413 PolarHBondContact O-N 3.14Å; I408-C414 HydrophobicContact CB-CB 3.98Å; I408-C414 HydrophobicContact CD1-CB 4.41Å; I408-C414 WeakPolarHBondContact O-CB 3.28Å; I408-C414 PolarHBondContact O-N 3.06Å; I408-I417 HydrophobicContact CD1-CD1 4.16Å; I408-F467 HydrophobicContact CD1-CE2 4.2Å; I408-F467 HydrophobicContact CD1-CZ 3.74Å; I408-F467 HydrophobicContact CG1-CE2 4.17Å; I408-F467 HydrophobicContact CG1-CZ 3.75Å
409G89.1Confident85.7Confident0 Ų016.8 Ų16.80%08%0.08CC..THydrogen-bonded Turntrans-83-10017900000112A405 G411 G412 N646 K700A405-G409 WeakPolarHBondContact O-CA 3.38Å; A405-G409 PolarHBondContact O-N 3.13Å; G409-G411 PolarHBondContact O-N 3.34Å; G409-G412 CarbonylContact O-C 3.34Å; G409-G412 PolarHBondContact O-N 3.09Å; G409-N646 PolarHBondContact O-ND2 2.89Å; G409-K700 PolarHBondContact O-NZ 3.46Å
410N90Very high86.6Confident2 Ų214.9 Ų14.91%0.0117%0.07CC..THydrogen-bonded Turntrans-54.7-50-178.4-73.8-12.3000112.1G412 H466 D637 F640 R641 K700 Y704N410-G412 VanDerWaalsContact C-N 3.3Å; N410-G412 PolarHBondContact O-N 3.37Å; N410-H466 PolarHBondContact ND2-ND1 2.66Å; N410-H466 VanDerWaalsContact ND2-ND1 3.14Å; N410-D637 WeakPolarHBondContact ND2-CA 3.45Å; N410-D637 PolarHBondContact ND2-O 3.06Å; N410-D637 PolarHBondContact ND2-OD1 3.06Å; N410-F640 HydrophobicContact CB-CD1 3.8Å; N410-F640 HydrophobicContact CB-CE1 4.44Å; N410-F640 HydrophobicContact CB-CG 4.5Å; N410-F640 WeakPolarHBondContact O-CE1 3.33Å; N410-R641 WeakPolarHBondContact OD1-CB 3.47Å; N410-K700 PolarHBondContact O-NZ 2.75Å; N410-Y704 HydrophobicContact CB-CD1 4.42Å; N410-Y704 HydrophobicContact CB-CD2 3.72Å; N410-Y704 HydrophobicContact CB-CE1 4.25Å; N410-Y704 HydrophobicContact CB-CE2 3.51Å; N410-Y704 HydrophobicContact CB-CG 4.18Å
411G88.1Confident87.5Confident0 Ų014.1 Ų14.10%07%0.066CC..THydrogen-bonded Turntrans-82.610176.800000116.1S406 Q407 G409 Y704 R705S406-G411 WeakPolarHBondContact O-CA 3.48Å; S406-G411 PolarHBondContact O-N 3.28Å; Q407-G411 CarbonylContact O-C 3.49Å; Q407-G411 VanDerWaalsContact O-O 3.09Å; G409-G411 PolarHBondContact O-N 3.34Å; G411-Y704 VanDerWaalsContact CA-CD1 3.4Å; G411-R705 VanDerWaalsContact O-CZ 3.23Å; G411-R705 PolarHBondContact O-NE 2.93Å; G411-R705 PolarHBondContact O-NH2 3.37Å
412G89.2Confident88.1Confident0 Ų014.3 Ų14.30%07%0.068CC..SBendtrans-139.5-162.8-179.700000112.1G377 Q407 I408 G409 N410 K700G377-G412 CarbonylContact O-C 3.54Å; G377-G412 VanDerWaalsContact O-CA 3.29Å; G377-G412 WeakPolarHBondContact O-CA 3.45Å; Q407-G412 VanDerWaalsContact O-CA 3.26Å; Q407-G412 WeakPolarHBondContact O-CA 3.25Å; Q407-G412 PolarHBondContact O-N 3.07Å; Q407-G412 VanDerWaalsContact O-N 3.17Å; I408-G412 CarbonylContact O-C 3.6Å; I408-G412 VanDerWaalsContact O-C 3.3Å; I408-G412 VanDerWaalsContact O-CA 3.3Å; I408-G412 WeakPolarHBondContact O-CA 3.48Å; G409-G412 CarbonylContact O-C 3.34Å; G409-G412 PolarHBondContact O-N 3.09Å; N410-G412 VanDerWaalsContact C-N 3.3Å; N410-G412 PolarHBondContact O-N 3.37Å; G412-K700 WeakPolarHBondContact O-CE 3.46Å; G412-K700 PolarHBondContact O-NZ 3.32Å
413E86.6Confident88.7Confident35 Ų3514.8 Ų14.816%0.1647%0.069CC..  trans-121.714178.3-87.8175.4-107.800114.3G377 C379 I408 R415 R697 K701G377-E413 PolarHBondContact O-N 2.89Å; C379-E413 CarbonylContact O-C 3.57Å; I408-E413 PolarHBondContact O-N 3.14Å; E413-R415 VanDerWaalsContact O-CG 3.27Å; E413-R415 WeakPolarHBondContact O-CG 3.34Å; E413-R415 PolarHBondContact O-N 2.97Å; E413-R697 HydrophobicContact CG-CB 4.31Å; E413-K701 WeakPolarHBondContact OE1-CE 3.33Å; E413-K701 IonicContact OE1-NZ 3.86Å; E413-K701 PolarHBondContact OE1-NZ 3.47Å
414C89.4Confident89.4Confident0 Ų013.2 Ų13.20%06%0.061CC..  trans-64.8122.7-177.6-177.90000111.9C379 S380 V382 I408 H416 F467 N646C379-C414 WeakPolarHBondContact O-CA 3.4Å; C379-C414 WeakPolarHBondContact O-CB 3.21Å; C379-C414 PolarHBondContact O-N 3.16Å; S380-C414 WeakPolarHBondContact O-CA 3.39Å; V382-C414 HydrophobicContact CG2-CB 4.41Å; I408-C414 HydrophobicContact CB-CB 3.98Å; I408-C414 HydrophobicContact CD1-CB 4.41Å; I408-C414 WeakPolarHBondContact O-CB 3.28Å; I408-C414 PolarHBondContact O-N 3.06Å; C414-H416 PolarHBondContact SG-O 2.85Å; C414-H416 VanDerWaalsContact SG-O 3.38Å; C414-F467 HydrophobicContact CB-CE1 4.04Å; C414-F467 HydrophobicContact CB-CZ 4.26Å; C414-F467 WeakPolarHBondContact O-CE1 3.18Å; C414-N646 PolarHBondContact N-ND2 2.85Å; C414-N646 WeakPolarHBondContact O-CB 3.38Å; C414-N646 PolarHBondContact O-ND2 2.93Å
415R87.6Confident90Very high43 Ų4314.6 Ų14.616%0.1627%0.069CC..  trans-105.4-30.7-178.1-33.8-179-163.6142.38.1111.6E167 S380 E413 C471 N646E167-R415 IonicContact OE1-CZ 3.39Å; E167-R415 VanDerWaalsContact OE1-CZ 3.23Å; E167-R415 IonicContact OE1-NH1 2.72Å; E167-R415 PolarHBondContact OE1-NH1 2.7Å; E167-R415 IonicContact OE1-NH2 2.61Å; E167-R415 PolarHBondContact OE1-NH2 3.13Å; E167-R415 IonicContact OE2-CZ 2.7Å; E167-R415 VanDerWaalsContact OE2-CZ 3.31Å; E167-R415 IonicContact OE2-NH1 3.78Å; E167-R415 PolarHBondContact OE2-NH1 3.32Å; E167-R415 IonicContact OE2-NH2 2.7Å; E167-R415 PolarHBondContact OE2-NH2 2.93Å; S380-R415 PolarHBondContact O-N 2.65Å; E413-R415 VanDerWaalsContact O-CG 3.27Å; E413-R415 WeakPolarHBondContact O-CG 3.34Å; E413-R415 PolarHBondContact O-N 2.97Å; R415-C471 PolarHBondContact O-SG 2.66Å; R415-N646 HydrophobicContact CG-CB 4.48Å; R415-N646 VanDerWaalsContact CG-O 3.31Å; R415-N646 WeakPolarHBondContact CG-O 3.39Å
416H91.4Very high90.1Very high52 Ų5218.2 Ų18.224%0.2419%0.088CC..EExtended strand (participates in β ladder)trans-133.1130.4-173.2-52.7-61000111.3S380 T381 V382 C414 F501S380-H416 PolarHBondContact O-N 3.13Å; T381-H416 WeakPolarHBondContact CA-O 3.44Å; T381-H416 HydrophobicContact CG2-CB 4.02Å; V382-H416 PolarHBondContact N-O 3.05Å; C414-H416 PolarHBondContact SG-O 2.85Å; C414-H416 VanDerWaalsContact SG-O 3.38Å; H416-F501 HydrophobicContact CB-CE2 4.36Å; H416-F501 HydrophobicContact CB-CZ 4.12Å; H416-F501 AromaticContact CD2-CE2 3.83Å; H416-F501 AromaticContact CD2-CZ 3.79Å; H416-F501 AromaticContact CG-CE2 4Å
417I91.9Very high89.9Confident0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-121.8111.5175.3-63.2171.3000108.3V382 V384 L401 I408 I419 F467 C471 F472 Q473V382-I417 WeakPolarHBondContact O-CA 3.32Å; V384-I417 HydrophobicContact CG2-CG2 3.94Å; L401-I417 HydrophobicContact CD1-CD1 4.44Å; L401-I417 HydrophobicContact CD1-CG2 4.26Å; L401-I417 HydrophobicContact CD2-CG2 4.47Å; I408-I417 HydrophobicContact CD1-CD1 4.16Å; I417-I419 HydrophobicContact CG2-CD1 4.17Å; I417-F467 HydrophobicContact CD1-CD1 3.83Å; I417-F467 HydrophobicContact CD1-CD2 3.9Å; I417-F467 HydrophobicContact CD1-CE1 3.64Å; I417-F467 HydrophobicContact CD1-CE2 3.72Å; I417-F467 HydrophobicContact CD1-CG 3.96Å; I417-F467 HydrophobicContact CD1-CZ 3.59Å; I417-F467 HydrophobicContact CG1-CE1 4.31Å; I417-C471 PolarHBondContact N-O 2.97Å; I417-F472 HydrophobicContact CB-CD1 3.89Å; I417-F472 HydrophobicContact CB-CE1 3.86Å; I417-F472 HydrophobicContact CD1-CD1 4.49Å; I417-F472 HydrophobicContact CD1-CE1 3.62Å; I417-F472 HydrophobicContact CD1-CZ 3.89Å; I417-F472 HydrophobicContact CG1-CE1 4.32Å; I417-F472 HydrophobicContact CG2-CD1 3.96Å; I417-F472 HydrophobicContact CG2-CE1 3.89Å; I417-F472 WeakPolarHBondContact O-CA 3.43Å; I417-Q473 PolarHBondContact O-N 3.09Å; I417-Q473 VanDerWaalsContact O-N 3.08Å
418H93.9Very high89.2Confident0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-105.6116.4-178.4-62.5176.8000110V382 W383 V384 V420 Q473 F475 F501V382-H418 PolarHBondContact O-N 3.36Å; W383-H418 CarbonylContact C-O 3.49Å; W383-H418 WeakPolarHBondContact CA-O 3.23Å; W383-H418 AromaticContact CD1-CG 3.92Å; W383-H418 AromaticContact CD1-ND1 3.74Å; W383-H418 HydrophobicContact CG-CB 4.35Å; W383-H418 AromaticContact NE1-CG 3.98Å; W383-H418 AromaticContact NE1-ND1 3.32Å; W383-H418 PolarHBondContact NE1-ND1 3.49Å; V384-H418 PolarHBondContact N-O 3.47Å; H418-V420 HydrophobicContact CB-CG2 4.2Å; H418-V420 PolarHBondContact O-N 3.46Å; H418-Q473 WeakPolarHBondContact CA-O 3.42Å; H418-F475 HydrophobicContact CB-CD2 4.07Å; H418-F475 HydrophobicContact CB-CE2 3.97Å; H418-F475 AromaticContact CG-CE2 3.65Å; H418-F475 AromaticContact ND1-CE2 3.63Å; H418-F501 AromaticContact CE1-CD1 3.66Å; H418-F501 AromaticContact CE1-CD2 3.6Å; H418-F501 AromaticContact CE1-CE1 3.63Å; H418-F501 AromaticContact CE1-CE2 3.54Å; H418-F501 AromaticContact CE1-CG 3.65Å; H418-F501 AromaticContact CE1-CZ 3.55Å; H418-F501 AromaticContact NE2-CE2 3.87Å
419I93.3Very high88.1Confident1 Ų128.5 Ų28.51%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-82.7115.6169-43.7-55.4000107.6V384 T386 W398 I417 V453 L457 Q473 V474 F475V384-I419 HydrophobicContact CB-CD1 3.62Å; V384-I419 HydrophobicContact CG1-CD1 4.15Å; V384-I419 HydrophobicContact CG2-CD1 3.64Å; T386-I419 HydrophobicContact CG2-CG2 4.12Å; W398-I419 HydrophobicContact CH2-CD1 4.12Å; W398-I419 HydrophobicContact CH2-CG1 4.14Å; W398-I419 HydrophobicContact CH2-CG2 4.32Å; W398-I419 HydrophobicContact CZ3-CD1 3.92Å; W398-I419 HydrophobicContact CZ3-CG1 4.41Å; I417-I419 HydrophobicContact CG2-CD1 4.17Å; I419-V453 HydrophobicContact CB-CG1 4.08Å; I419-V453 HydrophobicContact CG1-CG1 4.17Å; I419-V453 HydrophobicContact CG2-CG1 3.83Å; I419-L457 HydrophobicContact CD1-CD2 4.35Å; I419-L457 HydrophobicContact CG1-CD1 3.99Å; I419-L457 HydrophobicContact CG1-CD2 4.38Å; I419-Q473 PolarHBondContact N-O 2.76Å; I419-V474 HydrophobicContact CB-CG1 4.32Å; I419-V474 HydrophobicContact CB-CG2 4.32Å; I419-V474 HydrophobicContact CG1-CG2 4.44Å; I419-V474 WeakPolarHBondContact O-CA 3.39Å; I419-F475 PolarHBondContact O-N 2.78Å
420V95.3Very high86.5Confident0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-110.6101.1-174.7-173.10000109.5L182 W383 V384 V385 T386 H418 T422 V477 L498L182-V420 HydrophobicContact CD1-CG1 4.29Å; L182-V420 HydrophobicContact CD2-CB 4.21Å; L182-V420 HydrophobicContact CD2-CG1 3.67Å; L182-V420 HydrophobicContact CD2-CG2 4.46Å; W383-V420 HydrophobicContact CB-CG2 4.39Å; W383-V420 HydrophobicContact CG-CG2 4.46Å; V384-V420 PolarHBondContact O-N 3.29Å; V385-V420 WeakPolarHBondContact CA-O 3.44Å; T386-V420 PolarHBondContact N-O 2.94Å; H418-V420 HydrophobicContact CB-CG2 4.2Å; H418-V420 PolarHBondContact O-N 3.46Å; V420-T422 HydrophobicContact CG1-CG2 4.43Å; V420-T422 PolarHBondContact O-N 2.97Å; V420-V477 HydrophobicContact CG1-CB 4.43Å; V420-V477 HydrophobicContact CG1-CG1 4.03Å; V420-V477 HydrophobicContact CG1-CG2 3.46Å; V420-V477 VanDerWaalsContact CG1-CG2 3.46Å; V420-L498 HydrophobicContact CG1-CD1 4.33Å
421C95.1Very high85.2Confident0 Ų040.5 Ų40.50%021%0.21CC..EExtended strand (participates in β ladder)trans-81.196.9179.1-59.30000109.9T386 I388 A391 F475 T476 V477T386-C421 CarbonylContact O-C 3.54Å; T386-C421 VanDerWaalsContact O-CA 3.24Å; T386-C421 WeakPolarHBondContact O-CA 3.24Å; I388-C421 HydrophobicContact CB-CB 4.16Å; I388-C421 HydrophobicContact CG1-CB 4.19Å; A391-C421 HydrophobicContact CB-CB 4.38Å; A391-C421 VanDerWaalsContact CB-SG 3.52Å; C421-F475 WeakPolarHBondContact CB-O 3.09Å; C421-F475 PolarHBondContact N-O 2.85Å; C421-T476 HydrophobicContact CB-CG2 3.93Å; C421-T476 CarbonylContact O-C 3.15Å; C421-T476 WeakPolarHBondContact O-CA 3.26Å; C421-V477 PolarHBondContact O-N 2.87Å
422T94Very high84Confident5 Ų550.3 Ų50.33%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-79.7171.6-179.258.90000112.6A177 V385 T386 I388 V420 S424 V477A177-T422 WeakPolarHBondContact O-CB 2.87Å; A177-T422 WeakPolarHBondContact O-CG2 3.18Å; A177-T422 PolarHBondContact O-OG1 2.91Å; V385-T422 HydrophobicContact CG1-CG2 3.49Å; V385-T422 VanDerWaalsContact CG1-CG2 3.49Å; T386-T422 PolarHBondContact O-N 2.65Å; T386-T422 PolarHBondContact O-OG1 3.24Å; I388-T422 WeakPolarHBondContact CB-O 3.29Å; I388-T422 WeakPolarHBondContact CG2-O 3.35Å; I388-T422 PolarHBondContact N-O 2.9Å; V420-T422 HydrophobicContact CG1-CG2 4.43Å; V420-T422 PolarHBondContact O-N 2.97Å; T422-S424 VanDerWaalsContact C-N 3.34Å; T422-S424 PolarHBondContact O-N 2.98Å; T422-V477 CarbonylContact C-O 3.49Å; T422-V477 WeakPolarHBondContact CA-O 3.49Å; T422-V477 HydrophobicContact CG2-CG2 3.89Å
423K92.5Very high83.4Confident75 Ų7553 Ų5333%0.32627%0.27SS..  trans60.638.4-178.3-49.3-176.8-173.4174.70112.4E387 I388 D425 D426 R445 V477E387-K423 VanDerWaalsContact CD-CE 3.42Å; E387-K423 HydrophobicContact CG-CD 4.26Å; E387-K423 WeakPolarHBondContact OE1-CE 3.49Å; E387-K423 IonicContact OE1-NZ 2.69Å; E387-K423 PolarHBondContact OE1-NZ 3.43Å; E387-K423 WeakPolarHBondContact OE2-CE 3.45Å; E387-K423 IonicContact OE2-NZ 2.68Å; E387-K423 PolarHBondContact OE2-NZ 3.31Å; I388-K423 VanDerWaalsContact CG2-O 3.29Å; I388-K423 WeakPolarHBondContact CG2-O 3.42Å; K423-D425 PolarHBondContact O-N 3.18Å; K423-D425 VanDerWaalsContact O-N 3.12Å; K423-D426 HydrophobicContact CB-CB 3.82Å; K423-D426 VanDerWaalsContact O-CB 3.29Å; K423-D426 WeakPolarHBondContact O-CB 3.46Å; K423-D426 PolarHBondContact O-N 3.03Å; K423-R445 PolarHBondContact O-NH2 2.66Å; K423-V477 PolarHBondContact N-O 3.09Å; K423-V477 VanDerWaalsContact N-O 3.13Å
424S91.9Very high83.2Confident0 Ų055.1 Ų55.10%029%0.286CS..THydrogen-bonded Turntrans-63.4-14.8177.565.50000114T422 I442 R445 V477 S478T422-S424 VanDerWaalsContact C-N 3.34Å; T422-S424 PolarHBondContact O-N 2.98Å; S424-I442 WeakPolarHBondContact O-CG2 3.36Å; S424-R445 VanDerWaalsContact C-NH2 3.25Å; S424-R445 PolarHBondContact O-NH2 3.19Å; S424-V477 PolarHBondContact N-O 3.34Å; S424-V477 VanDerWaalsContact N-O 3.08Å; S424-V477 PolarHBondContact OG-O 3.19Å; S424-S478 PolarHBondContact OG-N 2.76Å
425D89.4Confident82.8Confident31 Ų3160.3 Ų60.317%0.16631%0.309CS..THydrogen-bonded Turntrans-79.5-19.1169.756.6-62000115K423 I427 S478 R480 E481K423-D425 PolarHBondContact O-N 3.18Å; K423-D425 VanDerWaalsContact O-N 3.12Å; D425-I427 PolarHBondContact O-N 3.16Å; D425-S478 WeakPolarHBondContact OD1-CB 3.36Å; D425-S478 PolarHBondContact OD1-OG 3.39Å; D425-R480 VanDerWaalsContact OD2-CD 3.27Å; D425-R480 WeakPolarHBondContact OD2-CD 3.38Å; D425-R480 IonicContact OD2-CZ 2.96Å; D425-R480 IonicContact OD2-NE 2.65Å; D425-E481 HydrophobicContact CB-CG 3.78Å
426D87.9Confident82.7Confident77 Ų7761.4 Ų61.441%0.41233%0.326SS..  trans-79.680.7-173.8-179.949.1000111.6N389 K423 R445N389-D426 PolarHBondContact ND2-O 3.44Å; N389-D426 PolarHBondContact ND2-OD2 3.41Å; K423-D426 HydrophobicContact CB-CB 3.82Å; K423-D426 VanDerWaalsContact O-CB 3.29Å; K423-D426 WeakPolarHBondContact O-CB 3.46Å; K423-D426 PolarHBondContact O-N 3.03Å; D426-R445 VanDerWaalsContact O-CZ 3.25Å; D426-R445 PolarHBondContact O-NH1 2.74Å; D426-R445 PolarHBondContact O-NH2 2.67Å
427I81.9Confident82.4Confident42 Ų4263.7 Ų63.722%0.21534%0.337CS..  trans-101.6144.8175.761.1171.2000111.8D425 T438 L441 I442D425-I427 PolarHBondContact O-N 3.16Å; I427-T438 HydrophobicContact CD1-CG2 3.97Å; I427-L441 HydrophobicContact CG2-CD2 4.28Å; I427-I442 HydrophobicContact CD1-CG1 4.45Å; I427-I442 HydrophobicContact CG2-CG1 3.73Å
428D68.6Low82.1Confident166 Ų16664.8 Ų64.889%0.88834%0.344SS*.  trans-102.386.8178.5-174.223.5000108.8
429D63.7Low81.8Confident69 Ų6967.4 Ų67.437%0.36936%0.356SS..  trans-131.7125.5-180-93.9-65.6000110L433 L441D429-L433 HydrophobicContact CB-CD1 4.19Å; D429-L441 VanDerWaalsContact OD2-CD1 3.25Å; D429-L441 WeakPolarHBondContact OD2-CD1 3.34Å
430S54.9Low81.6Confident112 Ų11270.1 Ų70.178%0.78338%0.379SS*.  trans-95.516.5-175.556.50000114
431H62.3Low81.3Confident142 Ų14273 Ų7366%0.65739%0.394SS*.SBendtrans-125.8150-174.6-64.5-51000111.8L433H431-L433 VanDerWaalsContact C-N 3.28Å; H431-L433 PolarHBondContact O-N 3.5Å
432E63.3Low81.1Confident206 Ų20673.1 Ų73.196%0.96340%0.395SS*.  trans-73.979173.9-65.1-168.5152.100111
433L75.6Confident80.9Confident56 Ų5676.1 Ų76.129%0.29341%0.41SS..  trans-71.5144.5172.2-63.7179.7000111.3D429 H431 E437 T438 L441D429-L433 HydrophobicContact CB-CD1 4.19Å; H431-L433 VanDerWaalsContact C-N 3.28Å; H431-L433 PolarHBondContact O-N 3.5Å; L433-E437 HydrophobicContact CB-CB 4.31Å; L433-E437 HydrophobicContact CD2-CB 4.43Å; L433-T438 WeakPolarHBondContact CB-OG1 3.4Å; L433-L441 HydrophobicContact CD1-CD1 3.91Å
434T83.3Confident80.9Confident80 Ų8080.4 Ų80.449%0.49143%0.429SS..  trans-70.1155.9168.468.80000110.8A436 E437 T438T434-A436 PolarHBondContact O-N 3.09Å; T434-A436 VanDerWaalsContact O-N 3.1Å; T434-E437 VanDerWaalsContact CB-OE2 3.26Å; T434-E437 WeakPolarHBondContact CB-OE2 3.44Å; T434-E437 VanDerWaalsContact CG2-OE2 3.32Å; T434-E437 WeakPolarHBondContact CG2-OE2 3.46Å; T434-E437 PolarHBondContact N-OE2 3.24Å; T434-E437 PolarHBondContact O-N 3.03Å; T434-E437 VanDerWaalsContact OG1-CD 3.31Å; T434-E437 WeakPolarHBondContact OG1-CG 3.39Å; T434-E437 PolarHBondContact OG1-OE2 3.46Å; T434-T438 PolarHBondContact O-N 2.86Å; T434-T438 PolarHBondContact O-OG1 3.24Å
435K81.4Confident80.9Confident110 Ų11082.5 Ų82.548%0.47844%0.437SS..Hα-helixtrans-49.9-39.6177.6173.5172.5173.5161.50113.1Q439 R486K435-Q439 VanDerWaalsContact O-CB 3.3Å; K435-Q439 WeakPolarHBondContact O-CB 3.19Å; K435-Q439 PolarHBondContact O-N 2.81Å; K435-R486 VanDerWaalsContact CD-O 3.26Å; K435-R486 WeakPolarHBondContact CD-O 3.48Å; K435-R486 WeakPolarHBondContact CE-O 3.18Å; K435-R486 PolarHBondContact NZ-O 2.78Å
436A84.7Confident81.1Confident65 Ų6581.3 Ų81.354%0.53743%0.43SS..Hα-helixtrans-69.6-36.9-179.400000112.6T434 A440T434-A436 PolarHBondContact O-N 3.09Å; T434-A436 VanDerWaalsContact O-N 3.1Å; A436-A440 WeakPolarHBondContact O-CB 3.43Å; A436-A440 PolarHBondContact O-N 3.44Å
437E85.4Confident81.3Confident101 Ų10180.1 Ų80.147%0.47243%0.431SS..Hα-helixtrans-69.8-45.7175.7-68.6161.6131.700110.7L433 T434 Q439 A440 L441L433-E437 HydrophobicContact CB-CB 4.31Å; L433-E437 HydrophobicContact CD2-CB 4.43Å; T434-E437 VanDerWaalsContact CB-OE2 3.26Å; T434-E437 WeakPolarHBondContact CB-OE2 3.44Å; T434-E437 VanDerWaalsContact CG2-OE2 3.32Å; T434-E437 WeakPolarHBondContact CG2-OE2 3.46Å; T434-E437 PolarHBondContact N-OE2 3.24Å; T434-E437 PolarHBondContact O-N 3.03Å; T434-E437 VanDerWaalsContact OG1-CD 3.31Å; T434-E437 WeakPolarHBondContact OG1-CG 3.39Å; T434-E437 PolarHBondContact OG1-OE2 3.46Å; E437-Q439 PolarHBondContact O-N 2.79Å; E437-A440 PolarHBondContact O-N 2.9Å; E437-L441 VanDerWaalsContact O-CB 3.28Å; E437-L441 WeakPolarHBondContact O-CB 2.91Å; E437-L441 PolarHBondContact O-N 3.03Å
438T84.9Confident81.8Confident22 Ų2285.4 Ų85.414%0.13545%0.452CS..Hα-helixtrans-54.1-50.3172.2-64.10000111.8I427 L433 T434 A440 L441 I442 D487I427-T438 HydrophobicContact CD1-CG2 3.97Å; L433-T438 WeakPolarHBondContact CB-OG1 3.4Å; T434-T438 PolarHBondContact O-N 2.86Å; T434-T438 PolarHBondContact O-OG1 3.24Å; T438-A440 PolarHBondContact O-N 2.8Å; T438-L441 PolarHBondContact O-N 2.62Å; T438-I442 HydrophobicContact CG2-CD1 3.9Å; T438-I442 VanDerWaalsContact O-CG1 3.31Å; T438-I442 WeakPolarHBondContact O-CG1 3.4Å; T438-I442 PolarHBondContact O-N 2.86Å; T438-D487 HydrophobicContact CG2-CB 4.16Å
439Q88.1Confident82.9Confident56 Ų5678.1 Ų78.126%0.26242%0.416SS..Hα-helixtrans-59.9-46.4177.3-173-177.58.400111.6K435 E437 L441 I442 L443 L488 D492K435-Q439 VanDerWaalsContact O-CB 3.3Å; K435-Q439 WeakPolarHBondContact O-CB 3.19Å; K435-Q439 PolarHBondContact O-N 2.81Å; E437-Q439 PolarHBondContact O-N 2.79Å; Q439-L441 PolarHBondContact O-N 3.48Å; Q439-I442 PolarHBondContact O-N 3.5Å; Q439-L443 HydrophobicContact CG-CD1 4.23Å; Q439-L443 WeakPolarHBondContact O-CB 3.48Å; Q439-L443 VanDerWaalsContact O-CG 3.31Å; Q439-L443 WeakPolarHBondContact O-CG 3.31Å; Q439-L443 PolarHBondContact O-N 2.83Å; Q439-L488 HydrophobicContact CG-CD2 4.18Å; Q439-D492 PolarHBondContact NE2-OD2 3.47Å
440A88.8Confident84.3Confident58 Ų5877.5 Ų77.548%0.47941%0.409SS..Hα-helixtrans-65.1-37.6178.600000112.8A436 E437 T438 K444A436-A440 WeakPolarHBondContact O-CB 3.43Å; A436-A440 PolarHBondContact O-N 3.44Å; E437-A440 PolarHBondContact O-N 2.9Å; T438-A440 PolarHBondContact O-N 2.8Å; A440-K444 WeakPolarHBondContact O-CB 3.45Å; A440-K444 PolarHBondContact O-N 3.49Å
441L89.4Confident86.1Confident61 Ų6178 Ų7832%0.31940%0.403SS..Hα-helixtrans-68.4-44.8177.9-161.2159.2000110.8I427 D429 L433 E437 T438 Q439 K444 R445I427-L441 HydrophobicContact CG2-CD2 4.28Å; D429-L441 VanDerWaalsContact OD2-CD1 3.25Å; D429-L441 WeakPolarHBondContact OD2-CD1 3.34Å; L433-L441 HydrophobicContact CD1-CD1 3.91Å; E437-L441 VanDerWaalsContact O-CB 3.28Å; E437-L441 WeakPolarHBondContact O-CB 2.91Å; E437-L441 PolarHBondContact O-N 3.03Å; T438-L441 PolarHBondContact O-N 2.62Å; Q439-L441 PolarHBondContact O-N 3.48Å; L441-K444 PolarHBondContact O-N 3.17Å; L441-R445 WeakPolarHBondContact O-CB 3.29Å; L441-R445 PolarHBondContact O-N 3.01Å
442I90.8Very high87.5Confident2 Ų273.3 Ų73.31%0.0139%0.386CS..Hα-helixtrans-57.3-52.6171.9-70.3164.3000110.8S424 I427 T438 Q439 K444 R445 N446 L488S424-I442 WeakPolarHBondContact O-CG2 3.36Å; I427-I442 HydrophobicContact CD1-CG1 4.45Å; I427-I442 HydrophobicContact CG2-CG1 3.73Å; T438-I442 HydrophobicContact CG2-CD1 3.9Å; T438-I442 VanDerWaalsContact O-CG1 3.31Å; T438-I442 WeakPolarHBondContact O-CG1 3.4Å; T438-I442 PolarHBondContact O-N 2.86Å; Q439-I442 PolarHBondContact O-N 3.5Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3Å; I442-R445 WeakPolarHBondContact O-CB 3.39Å; I442-R445 PolarHBondContact O-N 3.31Å; I442-R445 VanDerWaalsContact O-N 3.12Å; I442-N446 WeakPolarHBondContact O-CB 3.49Å; I442-N446 PolarHBondContact O-N 2.97Å; I442-N446 PolarHBondContact O-OD1 3.32Å; I442-L488 HydrophobicContact CB-CD2 4.19Å; I442-L488 HydrophobicContact CD1-CD2 3.97Å; I442-L488 HydrophobicContact CD1-CG 4.32Å; I442-L488 HydrophobicContact CG2-CD1 4.16Å; I442-L488 HydrophobicContact CG2-CD2 3.83Å
443L91Very high88.8Confident67 Ų6763.5 Ų63.535%0.35134%0.34SS..Hα-helixtrans-61.3-39.8-178.7-71.1173000112.4Q439 N446 A447 D492Q439-L443 HydrophobicContact CG-CD1 4.23Å; Q439-L443 WeakPolarHBondContact O-CB 3.48Å; Q439-L443 VanDerWaalsContact O-CG 3.31Å; Q439-L443 WeakPolarHBondContact O-CG 3.31Å; Q439-L443 PolarHBondContact O-N 2.83Å; L443-N446 PolarHBondContact O-N 3.03Å; L443-A447 PolarHBondContact O-N 3.45Å; L443-D492 HydrophobicContact CD2-CB 4.18Å
444K91.8Very high89.4Confident166 Ų16661.9 Ų61.972%0.72234%0.337SS*.Hα-helixtrans-63.8-40.7174-176.8179.7179.4-177.20112.2A440 L441 I442 K448A440-K444 WeakPolarHBondContact O-CB 3.45Å; A440-K444 PolarHBondContact O-N 3.49Å; L441-K444 PolarHBondContact O-N 3.17Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3Å; K444-K448 PolarHBondContact O-N 3.49Å
445R91.6Very high89.7Confident44 Ų4464.6 Ų64.617%0.16634%0.342CS..Hα-helixtrans-65.6-44.4173.7-175-179.970.7149.3-12.9111.4N389 K423 S424 D426 L441 I442 A447 K448 A449N389-R445 PolarHBondContact ND2-NH1 3.22Å; N389-R445 PolarHBondContact OD1-NH1 2.79Å; K423-R445 PolarHBondContact O-NH2 2.66Å; S424-R445 VanDerWaalsContact C-NH2 3.25Å; S424-R445 PolarHBondContact O-NH2 3.19Å; D426-R445 VanDerWaalsContact O-CZ 3.25Å; D426-R445 PolarHBondContact O-NH1 2.74Å; D426-R445 PolarHBondContact O-NH2 2.67Å; L441-R445 WeakPolarHBondContact O-CB 3.29Å; L441-R445 PolarHBondContact O-N 3.01Å; I442-R445 WeakPolarHBondContact O-CB 3.39Å; I442-R445 PolarHBondContact O-N 3.31Å; I442-R445 VanDerWaalsContact O-N 3.12Å; R445-A447 PolarHBondContact O-N 2.92Å; R445-K448 WeakPolarHBondContact O-CB 3.19Å; R445-K448 PolarHBondContact O-N 3.38Å; R445-A449 WeakPolarHBondContact O-CB 3.23Å; R445-A449 PolarHBondContact O-N 3.38Å
446N93.2Very high90Very high5 Ų562.1 Ų62.13%0.02733%0.332CS..Hα-helixtrans-59-48.2178.6-69.6-3.1000111.2I388 I442 L443 K448 A449 K450 T476I388-N446 WeakPolarHBondContact CD1-OD1 3.39Å; I442-N446 WeakPolarHBondContact O-CB 3.49Å; I442-N446 PolarHBondContact O-N 2.97Å; I442-N446 PolarHBondContact O-OD1 3.32Å; L443-N446 PolarHBondContact O-N 3.03Å; N446-K448 PolarHBondContact O-N 3.33Å; N446-A449 PolarHBondContact O-N 3.47Å; N446-K450 WeakPolarHBondContact O-CG 3.3Å; N446-K450 PolarHBondContact O-N 2.81Å; N446-T476 HydrophobicContact CB-CG2 3.96Å; N446-T476 WeakPolarHBondContact CB-OG1 3.18Å
447A93.1Very high90Very high53 Ų5359.8 Ų59.844%0.43831%0.31SS..Hα-helixtrans-58.7-43.817500000112.5L443 R445 K450 L451L443-A447 PolarHBondContact O-N 3.45Å; R445-A447 PolarHBondContact O-N 2.92Å; A447-K450 PolarHBondContact O-N 3.34Å; A447-L451 WeakPolarHBondContact O-CG 3.26Å; A447-L451 PolarHBondContact O-N 2.87Å; A447-L451 VanDerWaalsContact O-N 3.15Å
448K92.4Very high89.8Confident152 Ų15259.6 Ų59.666%0.66131%0.313SS*.Hα-helixtrans-62.6-42174.9-175.7-177.1176.2-173.20112K444 R445 N446 L451 S452K444-K448 PolarHBondContact O-N 3.49Å; R445-K448 WeakPolarHBondContact O-CB 3.19Å; R445-K448 PolarHBondContact O-N 3.38Å; N446-K448 PolarHBondContact O-N 3.33Å; K448-L451 PolarHBondContact O-N 2.61Å; K448-S452 PolarHBondContact O-N 2.85Å; K448-S452 PolarHBondContact O-OG 3.29Å
449A92.1Very high89.8Confident14 Ų1464.5 Ų64.512%0.11633%0.332CS..Hα-helixtrans-62.5-46.8178.500000111.5I388 R445 N446 L451 S452 V453I388-A449 HydrophobicContact CD1-CB 4.04Å; I388-A449 HydrophobicContact CG1-CB 3.74Å; R445-A449 WeakPolarHBondContact O-CB 3.23Å; R445-A449 PolarHBondContact O-N 3.38Å; N446-A449 PolarHBondContact O-N 3.47Å; A449-L451 PolarHBondContact O-N 3.05Å; A449-S452 PolarHBondContact O-N 3.42Å; A449-V453 WeakPolarHBondContact O-CG2 3.46Å; A449-V453 PolarHBondContact O-N 3.27Å
450K93.6Very high89.3Confident55 Ų5563.2 Ų63.224%0.23933%0.327CS..Hα-helixtrans-58.2-44.4175.9-67.6-170.3-178.9-151.70112.5N446 A447 S452 V453 G454 V474 T476 E494N446-K450 WeakPolarHBondContact O-CG 3.3Å; N446-K450 PolarHBondContact O-N 2.81Å; A447-K450 PolarHBondContact O-N 3.34Å; K450-S452 PolarHBondContact O-N 3.12Å; K450-V453 PolarHBondContact O-N 2.91Å; K450-G454 PolarHBondContact O-N 2.79Å; K450-V474 HydrophobicContact CB-CG1 4.4Å; K450-V474 WeakPolarHBondContact CE-O 3.42Å; K450-V474 HydrophobicContact CG-CB 4.31Å; K450-V474 HydrophobicContact CG-CG1 3.96Å; K450-V474 PolarHBondContact NZ-O 3.43Å; K450-T476 HydrophobicContact CD-CG2 4.47Å; K450-T476 VanDerWaalsContact CE-OG1 3.22Å; K450-T476 WeakPolarHBondContact CE-OG1 3.46Å; K450-T476 HydrophobicContact CG-CG2 3.87Å; K450-E494 VanDerWaalsContact CE-OE2 3.24Å; K450-E494 WeakPolarHBondContact CE-OE2 3.31Å; K450-E494 IonicContact NZ-OE1 3.23Å; K450-E494 PolarHBondContact NZ-OE1 3.45Å; K450-E494 IonicContact NZ-OE2 2.65Å; K450-E494 PolarHBondContact NZ-OE2 2.87Å
451L92.4Very high88.6Confident122 Ų12265.8 Ų65.864%0.63933%0.333SS*.Hα-helixtrans-64-37.2176.9-71171.4000112.8A447 K448 A449 K455A447-L451 WeakPolarHBondContact O-CG 3.26Å; A447-L451 PolarHBondContact O-N 2.87Å; A447-L451 VanDerWaalsContact O-N 3.15Å; K448-L451 PolarHBondContact O-N 2.61Å; A449-L451 PolarHBondContact O-N 3.05Å; L451-K455 VanDerWaalsContact O-CG 3.29Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.2Å; L451-K455 VanDerWaalsContact O-N 3.16Å
452S91.6Very high87.9Confident44 Ų4470.2 Ų70.231%0.30835%0.349SS..Hα-helixtrans-69.7-46.8175.1-64.10000112.1K448 A449 K450 G454 K455 E456K448-S452 PolarHBondContact O-N 2.85Å; K448-S452 PolarHBondContact O-OG 3.29Å; A449-S452 PolarHBondContact O-N 3.42Å; K450-S452 PolarHBondContact O-N 3.12Å; S452-G454 VanDerWaalsContact C-N 3.35Å; S452-G454 PolarHBondContact O-N 3.35Å; S452-K455 WeakPolarHBondContact O-CB 3.26Å; S452-K455 PolarHBondContact O-N 2.91Å; S452-K455 VanDerWaalsContact O-N 3.11Å; S452-E456 PolarHBondContact O-N 2.93Å
453V90.8Very high87.4Confident0 Ų070.3 Ų70.30%035%0.35CS..Hα-helixtrans-60.7-43.3177.5170.60000111.2A391 W398 I419 A449 K450 K455 E456 L457 V474A391-V453 HydrophobicContact CB-CG2 3.7Å; W398-V453 HydrophobicContact CH2-CG1 3.94Å; W398-V453 HydrophobicContact CZ2-CG1 4.15Å; I419-V453 HydrophobicContact CB-CG1 4.08Å; I419-V453 HydrophobicContact CG1-CG1 4.17Å; I419-V453 HydrophobicContact CG2-CG1 3.83Å; A449-V453 WeakPolarHBondContact O-CG2 3.46Å; A449-V453 PolarHBondContact O-N 3.27Å; K450-V453 PolarHBondContact O-N 2.91Å; V453-K455 VanDerWaalsContact C-N 3.31Å; V453-K455 PolarHBondContact O-N 3.01Å; V453-E456 PolarHBondContact O-N 2.88Å; V453-L457 HydrophobicContact CG1-CD1 4.21Å; V453-L457 WeakPolarHBondContact O-CG 3.34Å; V453-L457 PolarHBondContact O-N 2.72Å; V453-V474 HydrophobicContact CB-CG1 4.17Å; V453-V474 HydrophobicContact CB-CG2 4.48Å; V453-V474 HydrophobicContact CG1-CG1 3.88Å; V453-V474 HydrophobicContact CG1-CG2 3.79Å
454G88.2Confident86.8Confident22 Ų2269.5 Ų69.523%0.22734%0.343CS..Hα-helixtrans-62-34.417400000113.6K450 S452 N458K450-G454 PolarHBondContact O-N 2.79Å; S452-G454 VanDerWaalsContact C-N 3.35Å; S452-G454 PolarHBondContact O-N 3.35Å; G454-N458 WeakPolarHBondContact O-CB 3.12Å; G454-N458 VanDerWaalsContact O-CG 3.3Å; G454-N458 PolarHBondContact O-N 3.48Å; G454-N458 VanDerWaalsContact O-N 3.1Å; G454-N458 PolarHBondContact O-ND2 3.2Å
455K88.4Confident86.4Confident138 Ų13864.9 Ų64.960%0.632%0.324SS*.Hα-helixtrans-69.1-35.3173.8-77.7172.6-179.3-177.30113L451 S452 V453L451-K455 VanDerWaalsContact O-CG 3.29Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.2Å; L451-K455 VanDerWaalsContact O-N 3.16Å; S452-K455 WeakPolarHBondContact O-CB 3.26Å; S452-K455 PolarHBondContact O-N 2.91Å; S452-K455 VanDerWaalsContact O-N 3.11Å; V453-K455 VanDerWaalsContact C-N 3.31Å; V453-K455 PolarHBondContact O-N 3.01Å
456E87.5Confident86Confident57 Ų5763.8 Ų63.827%0.26632%0.32SS..Hα-helixtrans-75.2-43.1175.9-59.9-48.6128.500111.7A392 W398 S452 V453 N458 K459A392-E456 HydrophobicContact CB-CG 4.06Å; W398-E456 HydrophobicContact CZ2-CB 4.49Å; S452-E456 PolarHBondContact O-N 2.93Å; V453-E456 PolarHBondContact O-N 2.88Å; E456-N458 PolarHBondContact O-N 3.14Å; E456-K459 WeakPolarHBondContact O-CB 3.07Å; E456-K459 PolarHBondContact O-N 2.7Å; E456-K459 WeakPolarHBondContact OE1-CE 3.32Å; E456-K459 IonicContact OE1-NZ 3.59Å; E456-K459 PolarHBondContact OE1-NZ 2.74Å; E456-K459 WeakPolarHBondContact OE2-CE 3.12Å; E456-K459 IonicContact OE2-NZ 3.98Å; E456-K459 PolarHBondContact OE2-NZ 3.33Å
457L84.4Confident85.6Confident16 Ų1663.7 Ų63.78%0.08432%0.32CS..Hα-helixtrans-50.8-42.4170.2-80.8169.9000112.1W398 I419 V453 K459 L460 F472 V474W398-L457 HydrophobicContact CH2-CD2 3.88Å; W398-L457 HydrophobicContact CH2-CG 3.83Å; W398-L457 HydrophobicContact CZ3-CD2 3.55Å; W398-L457 HydrophobicContact CZ3-CG 4.04Å; I419-L457 HydrophobicContact CD1-CD2 4.35Å; I419-L457 HydrophobicContact CG1-CD1 3.99Å; I419-L457 HydrophobicContact CG1-CD2 4.38Å; V453-L457 HydrophobicContact CG1-CD1 4.21Å; V453-L457 WeakPolarHBondContact O-CG 3.34Å; V453-L457 PolarHBondContact O-N 2.72Å; L457-K459 PolarHBondContact O-N 3.1Å; L457-K459 VanDerWaalsContact O-N 3.17Å; L457-L460 WeakPolarHBondContact O-CB 3.07Å; L457-L460 PolarHBondContact O-N 3.47Å; L457-F472 HydrophobicContact CD1-CB 4.42Å; L457-F472 HydrophobicContact CD2-CD1 3.89Å; L457-F472 HydrophobicContact CD2-CE1 4.19Å; L457-V474 HydrophobicContact CD1-CG2 4.15Å
458N82.1Confident85.1Confident97 Ų9762 Ų6252%0.51931%0.305SS..THydrogen-bonded Turntrans-68.4-6.9178.6-80.5-34.8000115.2G454 E456 K464G454-N458 WeakPolarHBondContact O-CB 3.12Å; G454-N458 VanDerWaalsContact O-CG 3.3Å; G454-N458 PolarHBondContact O-N 3.48Å; G454-N458 VanDerWaalsContact O-N 3.1Å; G454-N458 PolarHBondContact O-ND2 3.2Å; E456-N458 PolarHBondContact O-N 3.14Å; N458-K464 PolarHBondContact OD1-NZ 3.46Å
459K83.9Confident84.4Confident126 Ų12659.6 Ų59.655%0.54830%0.299SS..THydrogen-bonded Turntrans-97.7-3.9170.8-56.8173.4-159.8166.80113E456 L457 D461E456-K459 WeakPolarHBondContact O-CB 3.07Å; E456-K459 PolarHBondContact O-N 2.7Å; E456-K459 WeakPolarHBondContact OE1-CE 3.32Å; E456-K459 IonicContact OE1-NZ 3.59Å; E456-K459 PolarHBondContact OE1-NZ 2.74Å; E456-K459 WeakPolarHBondContact OE2-CE 3.12Å; E456-K459 IonicContact OE2-NZ 3.98Å; E456-K459 PolarHBondContact OE2-NZ 3.33Å; L457-K459 PolarHBondContact O-N 3.1Å; L457-K459 VanDerWaalsContact O-N 3.17Å; K459-D461 VanDerWaalsContact C-N 3.3Å; K459-D461 PolarHBondContact O-N 3.07Å
460L78.7Confident83.8Confident29 Ų2965.3 Ų65.315%0.15232%0.323CS..  trans-9355.2-173.8-59.7-179.8000111.5W398 K402 L457 K462 I463 K464W398-L460 HydrophobicContact CD2-CD1 4.23Å; W398-L460 HydrophobicContact CE3-CD1 3.67Å; W398-L460 HydrophobicContact CZ3-CD1 4.15Å; K402-L460 HydrophobicContact CD-CD2 4.48Å; L457-L460 WeakPolarHBondContact O-CB 3.07Å; L457-L460 PolarHBondContact O-N 3.47Å; L460-K462 PolarHBondContact O-N 3.35Å; L460-I463 HydrophobicContact CB-CB 4.38Å; L460-I463 HydrophobicContact CB-CD1 3.87Å; L460-I463 HydrophobicContact CB-CG1 4.17Å; L460-I463 HydrophobicContact CD1-CD1 3.75Å; L460-I463 HydrophobicContact CG-CD1 4.36Å; L460-I463 WeakPolarHBondContact O-CB 3.47Å; L460-I463 PolarHBondContact O-N 3.47Å; L460-K464 PolarHBondContact O-N 2.67Å
461D74.3Confident83.4Confident112 Ų11262.9 Ų62.960%0.59931%0.313SS*.Hα-helixtrans-50.3-35.1-175.6-57.1-34.1000113.5K459 I463 K464 K465K459-D461 VanDerWaalsContact C-N 3.3Å; K459-D461 PolarHBondContact O-N 3.07Å; D461-I463 VanDerWaalsContact C-N 3.28Å; D461-I463 PolarHBondContact O-N 2.94Å; D461-K464 PolarHBondContact O-N 2.88Å; D461-K465 PolarHBondContact O-N 2.93Å
462K73.7Confident83.2Confident153 Ų15358.8 Ų58.867%0.66529%0.29SS*.Hα-helixtrans-60.7-34.2176.1-66.1-163173.6-157.40113.2L460 H466L460-K462 PolarHBondContact O-N 3.35Å; K462-H466 PolarHBondContact O-CD2 2.85Å
463I80.3Confident83.2Confident4 Ų460.8 Ų60.82%0.02130%0.295CS..Hα-helixtrans-76.5-39.6176.6-57.7178.5000109.6L401 K402 A405 L460 D461 K465 H466 F467 F472L401-I463 HydrophobicContact CB-CD1 4.38Å; L401-I463 HydrophobicContact CD2-CD1 3.82Å; L401-I463 HydrophobicContact CG-CD1 3.86Å; K402-I463 HydrophobicContact CG-CD1 4.08Å; K402-I463 HydrophobicContact CG-CG1 4.42Å; A405-I463 HydrophobicContact CB-CB 4.46Å; A405-I463 HydrophobicContact CB-CG1 4.12Å; A405-I463 HydrophobicContact CB-CG2 4.19Å; L460-I463 HydrophobicContact CB-CB 4.38Å; L460-I463 HydrophobicContact CB-CD1 3.87Å; L460-I463 HydrophobicContact CB-CG1 4.17Å; L460-I463 HydrophobicContact CD1-CD1 3.75Å; L460-I463 HydrophobicContact CG-CD1 4.36Å; L460-I463 WeakPolarHBondContact O-CB 3.47Å; L460-I463 PolarHBondContact O-N 3.47Å; D461-I463 VanDerWaalsContact C-N 3.28Å; D461-I463 PolarHBondContact O-N 2.94Å; I463-K465 PolarHBondContact O-N 2.8Å; I463-K465 VanDerWaalsContact O-N 3.09Å; I463-H466 PolarHBondContact O-N 2.9Å; I463-F467 HydrophobicContact CG2-CD2 3.81Å; I463-F467 HydrophobicContact CG2-CE2 4.38Å; I463-F467 PolarHBondContact O-N 3.05Å; I463-F472 HydrophobicContact CG2-CE1 4.29Å; I463-F472 HydrophobicContact CG2-CZ 3.77Å
464K78.9Confident83.4Confident50 Ų5062.1 Ų62.122%0.21730%0.303CS..Hα-helixtrans-62.7-13.9177.2-62.3-160.6177-1550114.4N458 L460 D461 H466 D469N458-K464 PolarHBondContact OD1-NZ 3.46Å; L460-K464 PolarHBondContact O-N 2.67Å; D461-K464 PolarHBondContact O-N 2.88Å; K464-H466 VanDerWaalsContact C-N 3.29Å; K464-H466 PolarHBondContact O-N 3.37Å; K464-D469 WeakPolarHBondContact CD-OD1 3.21Å; K464-D469 WeakPolarHBondContact CE-OD1 3.31Å; K464-D469 IonicContact NZ-OD1 2.68Å; K464-D469 PolarHBondContact NZ-OD1 3.08Å; K464-D469 IonicContact NZ-OD2 3.51Å; K464-D469 PolarHBondContact NZ-OD2 3.47Å
465K82.8Confident83.8Confident70 Ų7061.6 Ų61.630%0.30429%0.294SS..THydrogen-bonded Turntrans-62-34.6167.1-68.2-165.4171.1-161.20113.5D461 I463 D634 D637 R641D461-K465 PolarHBondContact O-N 2.93Å; I463-K465 PolarHBondContact O-N 2.8Å; I463-K465 VanDerWaalsContact O-N 3.09Å; K465-D634 IonicContact NZ-OD1 3.46Å; K465-D634 PolarHBondContact NZ-OD1 2.97Å; K465-D637 HydrophobicContact CB-CB 4.11Å; K465-D637 HydrophobicContact CD-CB 4.29Å; K465-R641 VanDerWaalsContact O-CD 3.28Å; K465-R641 WeakPolarHBondContact O-CD 3.37Å; K465-R641 PolarHBondContact O-NE 2.87Å; K465-R641 VanDerWaalsContact O-NE 3.14Å
466H84.6Confident84.1Confident20 Ų2055.2 Ų55.29%0.09327%0.267CS..THydrogen-bonded Turntrans-104.7-9.1-172-46.8-63.1000113.6N410 K462 I463 K464 D637N410-H466 PolarHBondContact ND2-ND1 2.66Å; N410-H466 VanDerWaalsContact ND2-ND1 3.14Å; K462-H466 PolarHBondContact O-CD2 2.85Å; I463-H466 PolarHBondContact O-N 2.9Å; K464-H466 VanDerWaalsContact C-N 3.29Å; K464-H466 PolarHBondContact O-N 3.37Å; H466-D637 IonicContact CE1-OD1 2.88Å; H466-D637 PolarHBondContact CE1-OD1 3.38Å; H466-D637 IonicContact CE1-OD2 2.75Å; H466-D637 PolarHBondContact CE1-OD2 2.83Å; H466-D637 IonicContact ND1-OD1 3.66Å; H466-D637 PolarHBondContact ND1-OD1 3.42Å; H466-D637 VanDerWaalsContact ND1-OD1 3.13Å
467F84.9Confident84.5Confident4 Ų452.5 Ų52.52%0.01825%0.254CS..SBendtrans-134.3154.4-174.4-67.8-77000112A405 I408 C414 I417 I463 C471 F472 R641A405-F467 HydrophobicContact CB-CE2 4.35Å; I408-F467 HydrophobicContact CD1-CE2 4.2Å; I408-F467 HydrophobicContact CD1-CZ 3.74Å; I408-F467 HydrophobicContact CG1-CE2 4.17Å; I408-F467 HydrophobicContact CG1-CZ 3.75Å; C414-F467 HydrophobicContact CB-CE1 4.04Å; C414-F467 HydrophobicContact CB-CZ 4.26Å; C414-F467 WeakPolarHBondContact O-CE1 3.18Å; I417-F467 HydrophobicContact CD1-CD1 3.83Å; I417-F467 HydrophobicContact CD1-CD2 3.9Å; I417-F467 HydrophobicContact CD1-CE1 3.64Å; I417-F467 HydrophobicContact CD1-CE2 3.72Å; I417-F467 HydrophobicContact CD1-CG 3.96Å; I417-F467 HydrophobicContact CD1-CZ 3.59Å; I417-F467 HydrophobicContact CG1-CE1 4.31Å; I463-F467 HydrophobicContact CG2-CD2 3.81Å; I463-F467 HydrophobicContact CG2-CE2 4.38Å; I463-F467 PolarHBondContact O-N 3.05Å; F467-C471 HydrophobicContact CB-CB 4.23Å; F467-C471 HydrophobicContact CD1-CB 4.09Å; F467-F472 HydrophobicContact CB-CE2 3.65Å; F467-F472 HydrophobicContact CB-CZ 3.79Å; F467-F472 HydrophobicContact CD2-CZ 4.3Å; F467-F472 HydrophobicContact CG-CE2 4.4Å; F467-F472 HydrophobicContact CG-CZ 4.08Å; F467-R641 PolarHBondContact O-NH1 2.95Å
468S81Confident84.9Confident18 Ų1851.8 Ų51.813%0.12625%0.25CS..  trans-87.3158.7165.155.60000109.7E470 C471 D647S468-E470 PolarHBondContact O-N 2.98Å; S468-C471 VanDerWaalsContact O-CB 3.26Å; S468-C471 WeakPolarHBondContact O-CB 3.32Å; S468-C471 PolarHBondContact O-N 3.46Å; S468-C471 PolarHBondContact OG-SG 2.98Å; S468-C471 VanDerWaalsContact OG-SG 3.33Å; S468-D647 WeakPolarHBondContact CB-OD2 3.48Å; S468-D647 PolarHBondContact OG-OD2 2.98Å
469D78.6Confident85.5Confident100 Ų10048 Ų4854%0.53523%0.232SC..G310 helixtrans-63.4-26.9178.7-79-28.1000112.2K464 C471 F472K464-D469 WeakPolarHBondContact CD-OD1 3.21Å; K464-D469 WeakPolarHBondContact CE-OD1 3.31Å; K464-D469 IonicContact NZ-OD1 2.68Å; K464-D469 PolarHBondContact NZ-OD1 3.08Å; K464-D469 IonicContact NZ-OD2 3.51Å; K464-D469 PolarHBondContact NZ-OD2 3.47Å; D469-C471 PolarHBondContact O-N 2.66Å; D469-F472 PolarHBondContact O-N 3.18Å
470E79.3Confident85.8Confident134 Ų13447.9 Ų47.963%0.62623%0.228SC*.G310 helixtrans-65.1-18173.5-66161.7-114.900113.7S468 F472 K649S468-E470 PolarHBondContact O-N 2.98Å; E470-F472 PolarHBondContact O-N 2.87Å; E470-K649 IonicContact OE1-NZ 2.65Å; E470-K649 PolarHBondContact OE1-NZ 3.14Å; E470-K649 WeakPolarHBondContact OE2-CE 3.38Å; E470-K649 IonicContact OE2-NZ 2.73Å; E470-K649 PolarHBondContact OE2-NZ 2.62Å
471C84.5Confident86.4Confident4 Ų446.5 Ų46.53%0.02722%0.221CC..G310 helixtrans-68.1-21.2175.1-66.90000113R415 I417 F467 S468 D469R415-C471 PolarHBondContact O-SG 2.66Å; I417-C471 PolarHBondContact N-O 2.97Å; F467-C471 HydrophobicContact CB-CB 4.23Å; F467-C471 HydrophobicContact CD1-CB 4.09Å; S468-C471 VanDerWaalsContact O-CB 3.26Å; S468-C471 WeakPolarHBondContact O-CB 3.32Å; S468-C471 PolarHBondContact O-N 3.46Å; S468-C471 PolarHBondContact OG-SG 2.98Å; S468-C471 VanDerWaalsContact OG-SG 3.33Å; D469-C471 PolarHBondContact O-N 2.66Å
472F88.9Confident87.3Confident36 Ų3642.2 Ų42.216%0.15820%0.197CC..EExtended strand (participates in β ladder)trans-101.2127.4-168.2-63.1-82.8000113.3I417 L457 I463 F467 D469 E470I417-F472 HydrophobicContact CB-CD1 3.89Å; I417-F472 HydrophobicContact CB-CE1 3.86Å; I417-F472 HydrophobicContact CD1-CD1 4.49Å; I417-F472 HydrophobicContact CD1-CE1 3.62Å; I417-F472 HydrophobicContact CD1-CZ 3.89Å; I417-F472 HydrophobicContact CG1-CE1 4.32Å; I417-F472 HydrophobicContact CG2-CD1 3.96Å; I417-F472 HydrophobicContact CG2-CE1 3.89Å; I417-F472 WeakPolarHBondContact O-CA 3.43Å; L457-F472 HydrophobicContact CD1-CB 4.42Å; L457-F472 HydrophobicContact CD2-CD1 3.89Å; L457-F472 HydrophobicContact CD2-CE1 4.19Å; I463-F472 HydrophobicContact CG2-CE1 4.29Å; I463-F472 HydrophobicContact CG2-CZ 3.77Å; F467-F472 HydrophobicContact CB-CE2 3.65Å; F467-F472 HydrophobicContact CB-CZ 3.79Å; F467-F472 HydrophobicContact CD2-CZ 4.3Å; F467-F472 HydrophobicContact CG-CE2 4.4Å; F467-F472 HydrophobicContact CG-CZ 4.08Å; D469-F472 PolarHBondContact O-N 3.18Å; E470-F472 PolarHBondContact O-N 2.87Å
473Q92.1Very high88.1Confident86 Ų8638.7 Ų38.740%0.40218%0.182SC..EExtended strand (participates in β ladder)trans-131154171.5-57.6-168.413.700110.9I417 H418 I419 F475I417-Q473 PolarHBondContact O-N 3.09Å; I417-Q473 VanDerWaalsContact O-N 3.08Å; H418-Q473 WeakPolarHBondContact CA-O 3.42Å; I419-Q473 PolarHBondContact N-O 2.76Å; Q473-F475 HydrophobicContact CB-CE2 3.72Å; Q473-F475 HydrophobicContact CB-CZ 4.24Å
474V94.1Very high88.4Confident28 Ų2846.2 Ų46.217%0.1721%0.21CC..EExtended strand (participates in β ladder)trans-128.5122.3179.6-169.70000110.3I419 K450 V453 L457I419-V474 HydrophobicContact CB-CG1 4.32Å; I419-V474 HydrophobicContact CB-CG2 4.32Å; I419-V474 HydrophobicContact CG1-CG2 4.44Å; I419-V474 WeakPolarHBondContact O-CA 3.39Å; K450-V474 HydrophobicContact CB-CG1 4.4Å; K450-V474 WeakPolarHBondContact CE-O 3.42Å; K450-V474 HydrophobicContact CG-CB 4.31Å; K450-V474 HydrophobicContact CG-CG1 3.96Å; K450-V474 PolarHBondContact NZ-O 3.43Å; V453-V474 HydrophobicContact CB-CG1 4.17Å; V453-V474 HydrophobicContact CB-CG2 4.48Å; V453-V474 HydrophobicContact CG1-CG1 3.88Å; V453-V474 HydrophobicContact CG1-CG2 3.79Å; L457-V474 HydrophobicContact CD1-CG2 4.15Å
475F95.7Very high88.8Confident12 Ų1249.7 Ų49.75%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-113.2149.9179.5-61.7-90000110.3H418 I419 C421 Q473 V477 E494 K497 L498H418-F475 HydrophobicContact CB-CD2 4.07Å; H418-F475 HydrophobicContact CB-CE2 3.97Å; H418-F475 AromaticContact CG-CE2 3.65Å; H418-F475 AromaticContact ND1-CE2 3.63Å; I419-F475 PolarHBondContact O-N 2.78Å; C421-F475 WeakPolarHBondContact CB-O 3.09Å; C421-F475 PolarHBondContact N-O 2.85Å; Q473-F475 HydrophobicContact CB-CE2 3.72Å; Q473-F475 HydrophobicContact CB-CZ 4.24Å; F475-V477 HydrophobicContact CB-CG1 4.09Å; F475-E494 WeakPolarHBondContact CA-OE2 3.49Å; F475-K497 HydrophobicContact CD1-CB 4.32Å; F475-K497 HydrophobicContact CE1-CB 3.85Å; F475-L498 HydrophobicContact CD1-CD2 4.05Å; F475-L498 HydrophobicContact CD1-CG 4.25Å; F475-L498 HydrophobicContact CD2-CD2 3.8Å; F475-L498 HydrophobicContact CE1-CD2 4.11Å; F475-L498 HydrophobicContact CE2-CD2 3.85Å; F475-L498 HydrophobicContact CG-CD2 3.9Å; F475-L498 HydrophobicContact CG-CG 4.35Å; F475-L498 HydrophobicContact CZ-CD2 4.01Å
476T95.1Very high88.8Confident3 Ų354.4 Ų54.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-128.5106.6178.443.40000109.1I388 C421 N446 K450 E494I388-T476 HydrophobicContact CD1-CG2 3.96Å; C421-T476 HydrophobicContact CB-CG2 3.93Å; C421-T476 CarbonylContact O-C 3.15Å; C421-T476 WeakPolarHBondContact O-CA 3.26Å; N446-T476 HydrophobicContact CB-CG2 3.96Å; N446-T476 WeakPolarHBondContact CB-OG1 3.18Å; K450-T476 HydrophobicContact CD-CG2 4.47Å; K450-T476 VanDerWaalsContact CE-OG1 3.22Å; K450-T476 WeakPolarHBondContact CE-OG1 3.46Å; K450-T476 HydrophobicContact CG-CG2 3.87Å; T476-E494 PolarHBondContact N-OE2 2.96Å; T476-E494 PolarHBondContact OG1-OE2 2.88Å
477V95.9Very high88.6Confident0 Ų054.8 Ų54.80%024%0.243CC..  trans-127.8149.1-160.2-54.30000114.5L182 V420 C421 T422 K423 S424 F475 T493 E494 I495 L498L182-V477 HydrophobicContact CD1-CG2 3.99Å; V420-V477 HydrophobicContact CG1-CB 4.43Å; V420-V477 HydrophobicContact CG1-CG1 4.03Å; V420-V477 HydrophobicContact CG1-CG2 3.46Å; V420-V477 VanDerWaalsContact CG1-CG2 3.46Å; C421-V477 PolarHBondContact O-N 2.87Å; T422-V477 CarbonylContact C-O 3.49Å; T422-V477 WeakPolarHBondContact CA-O 3.49Å; T422-V477 HydrophobicContact CG2-CG2 3.89Å; K423-V477 PolarHBondContact N-O 3.09Å; K423-V477 VanDerWaalsContact N-O 3.13Å; S424-V477 PolarHBondContact N-O 3.34Å; S424-V477 VanDerWaalsContact N-O 3.08Å; S424-V477 PolarHBondContact OG-O 3.19Å; F475-V477 HydrophobicContact CB-CG1 4.09Å; V477-T493 VanDerWaalsContact CA-O 3.24Å; V477-T493 WeakPolarHBondContact CA-O 3.26Å; V477-T493 WeakPolarHBondContact CB-O 3.37Å; V477-T493 WeakPolarHBondContact CG1-O 3.34Å; V477-E494 HydrophobicContact CG1-CB 4.32Å; V477-I495 HydrophobicContact CB-CD1 4.49Å; V477-I495 HydrophobicContact CB-CG1 4.02Å; V477-I495 HydrophobicContact CG1-CG1 4.21Å; V477-L498 HydrophobicContact CG1-CD1 4.14Å
478S94.5Very high88.5Confident1 Ų154.7 Ų54.71%0.00724%0.243CC..  trans-131.1103.9170.1-1790000110.6S424 D425 R480 E481 F482S424-S478 PolarHBondContact OG-N 2.76Å; D425-S478 WeakPolarHBondContact OD1-CB 3.36Å; D425-S478 PolarHBondContact OD1-OG 3.39Å; S478-R480 PolarHBondContact O-N 3.32Å; S478-R480 PolarHBondContact OG-N 2.87Å; S478-E481 PolarHBondContact OG-N 3.18Å; S478-F482 WeakPolarHBondContact O-CB 3.35Å; S478-F482 PolarHBondContact O-N 3.37Å
479S93.4Very high88.8Confident19 Ų1955.5 Ų55.513%0.13325%0.248CC..Hα-helixtrans-59.4-31.2168.2-55.30000112.2S181 L182 F483S181-S479 VanDerWaalsContact C-OG 3.26Å; S181-S479 WeakPolarHBondContact O-CB 3.44Å; S181-S479 PolarHBondContact O-OG 2.96Å; L182-S479 WeakPolarHBondContact CA-OG 3.44Å; L182-S479 PolarHBondContact N-OG 3.28Å; S479-F483 VanDerWaalsContact O-CD2 3.25Å; S479-F483 WeakPolarHBondContact O-CD2 3.3Å
480R90.7Very high89.1Confident123 Ų12352 Ų5246%0.46423%0.231SC..Hα-helixtrans-67.8-52.8-179.6171.1172.4146.7178.1-5.1110.8D425 S478 F483 R484D425-R480 VanDerWaalsContact OD2-CD 3.27Å; D425-R480 WeakPolarHBondContact OD2-CD 3.38Å; D425-R480 IonicContact OD2-CZ 2.96Å; D425-R480 IonicContact OD2-NE 2.65Å; S478-R480 PolarHBondContact O-N 3.32Å; S478-R480 PolarHBondContact OG-N 2.87Å; R480-F483 PolarHBondContact O-N 3.4Å; R480-R484 HydrophobicContact CG-CG 4.46Å; R480-R484 WeakPolarHBondContact O-CB 3.22Å; R480-R484 WeakPolarHBondContact O-CG 3.13Å; R480-R484 PolarHBondContact O-N 2.96Å
481E91.6Very high89.5Confident0 Ų051.2 Ų51.20%023%0.228CC..Hα-helixtrans-78.4-19.6-177.7-67-53.3121.300113.4D425 S478 F483 R484 K485 R486 D487 L488 T493D425-E481 HydrophobicContact CB-CG 3.78Å; S478-E481 PolarHBondContact OG-N 3.18Å; E481-F483 VanDerWaalsContact C-N 3.32Å; E481-F483 PolarHBondContact O-N 3.19Å; E481-R484 PolarHBondContact O-N 2.69Å; E481-K485 VanDerWaalsContact O-CA 3.29Å; E481-K485 WeakPolarHBondContact O-CA 3.34Å; E481-K485 PolarHBondContact O-N 3.17Å; E481-R486 WeakPolarHBondContact OE2-CA 3.49Å; E481-R486 VanDerWaalsContact OE2-CB 3.27Å; E481-R486 WeakPolarHBondContact OE2-CB 3.24Å; E481-R486 PolarHBondContact OE2-N 3.05Å; E481-D487 PolarHBondContact OE2-N 2.92Å; E481-L488 HydrophobicContact CB-CB 4.05Å; E481-L488 HydrophobicContact CB-CD1 4.28Å; E481-L488 HydrophobicContact CB-CG 4.34Å; E481-T493 HydrophobicContact CB-CG2 4.25Å
482F93.3Very high89.6Confident22 Ų2252.7 Ų52.710%0.09624%0.235CC..Hα-helixtrans-60.9-41.9169.3-179.7-101.3000111.9A185 K188 S478 K485 P490 T493 I495 P496A185-F482 HydrophobicContact CB-CD1 4.13Å; A185-F482 WeakPolarHBondContact O-CE1 3.41Å; K188-F482 HydrophobicContact CG-CE1 4.32Å; K188-F482 HydrophobicContact CG-CZ 4.31Å; S478-F482 WeakPolarHBondContact O-CB 3.35Å; S478-F482 PolarHBondContact O-N 3.37Å; F482-K485 WeakPolarHBondContact O-CE 3.47Å; F482-P490 HydrophobicContact CD2-CB 4.28Å; F482-P490 HydrophobicContact CE2-CB 4.34Å; F482-T493 HydrophobicContact CB-CG2 4.25Å; F482-I495 HydrophobicContact CB-CD1 3.9Å; F482-I495 HydrophobicContact CD1-CG2 4.38Å; F482-I495 HydrophobicContact CD2-CB 3.82Å; F482-I495 HydrophobicContact CD2-CG2 3.93Å; F482-I495 HydrophobicContact CE1-CG2 4.34Å; F482-I495 HydrophobicContact CE2-CB 4.14Å; F482-I495 HydrophobicContact CE2-CG2 3.89Å; F482-I495 HydrophobicContact CG-CB 4.25Å; F482-I495 HydrophobicContact CG-CD1 4.11Å; F482-I495 HydrophobicContact CG-CG2 4.19Å; F482-I495 HydrophobicContact CZ-CG2 4.11Å; F482-P496 HydrophobicContact CE2-CG 4.27Å
483F89.5Confident89.8Confident79 Ų7951 Ų5135%0.34623%0.228SC..Hα-helixtrans-82.1-37.2174.7-72.1-61.9000113.6A185 K188 K190 S479 R480 E481A185-F483 HydrophobicContact CB-CE2 3.87Å; A185-F483 HydrophobicContact CB-CZ 4.4Å; K188-F483 WeakPolarHBondContact O-CE1 3.28Å; K190-F483 HydrophobicContact CB-CE1 4.02Å; K190-F483 HydrophobicContact CB-CZ 4.02Å; K190-F483 HydrophobicContact CG-CZ 4.49Å; S479-F483 VanDerWaalsContact O-CD2 3.25Å; S479-F483 WeakPolarHBondContact O-CD2 3.3Å; R480-F483 PolarHBondContact O-N 3.4Å; E481-F483 VanDerWaalsContact C-N 3.32Å; E481-F483 PolarHBondContact O-N 3.19Å
484R87.9Confident89.9Confident162 Ų16247.8 Ų47.861%0.61121%0.213SC*.Hα-helixtrans-85.3-32-174.9-69.2-176-178.1-162.2-1.5114.6R480 E481 R486R480-R484 HydrophobicContact CG-CG 4.46Å; R480-R484 WeakPolarHBondContact O-CB 3.22Å; R480-R484 WeakPolarHBondContact O-CG 3.13Å; R480-R484 PolarHBondContact O-N 2.96Å; E481-R484 PolarHBondContact O-N 2.69Å; R484-R486 PolarHBondContact O-N 3.03Å; R484-R486 VanDerWaalsContact O-N 3.09Å
485K87.1Confident90Very high122 Ų12246.5 Ų46.553%0.5321%0.205SC..  trans5228.3-178.9-50.8-179.4-172.6-178.80113.5E481 F482 P490E481-K485 VanDerWaalsContact O-CA 3.29Å; E481-K485 WeakPolarHBondContact O-CA 3.34Å; E481-K485 PolarHBondContact O-N 3.17Å; F482-K485 WeakPolarHBondContact O-CE 3.47Å; K485-P490 HydrophobicContact CD-CG 3.99Å; K485-P490 HydrophobicContact CG-CG 4.28Å
486R82.9Confident90Very high170 Ų17047.6 Ų47.664%0.64221%0.213SC*.SBendtrans-78.9-54.5-173.9-177.7-165151.2140.13109.7K435 E481 R484K435-R486 VanDerWaalsContact CD-O 3.26Å; K435-R486 WeakPolarHBondContact CD-O 3.48Å; K435-R486 WeakPolarHBondContact CE-O 3.18Å; K435-R486 PolarHBondContact NZ-O 2.78Å; E481-R486 WeakPolarHBondContact OE2-CA 3.49Å; E481-R486 VanDerWaalsContact OE2-CB 3.27Å; E481-R486 WeakPolarHBondContact OE2-CB 3.24Å; E481-R486 PolarHBondContact OE2-N 3.05Å; R484-R486 PolarHBondContact O-N 3.03Å; R484-R486 VanDerWaalsContact O-N 3.09Å
487D80.6Confident90Very high27 Ų2751.8 Ų51.814%0.14423%0.231CC..SBendtrans-115.8-17.8-168.9-55.1-56.1000113.1T438 E481T438-D487 HydrophobicContact CG2-CB 4.16Å; E481-D487 PolarHBondContact OE2-N 2.92Å
488L82.9Confident90Very high2 Ų251.8 Ų51.81%0.0123%0.231CC..SBendtrans-122.3152.9172.1-62.2178.9000111.6Q439 I442 E481 D492 T493Q439-L488 HydrophobicContact CG-CD2 4.18Å; I442-L488 HydrophobicContact CB-CD2 4.19Å; I442-L488 HydrophobicContact CD1-CD2 3.97Å; I442-L488 HydrophobicContact CD1-CG 4.32Å; I442-L488 HydrophobicContact CG2-CD1 4.16Å; I442-L488 HydrophobicContact CG2-CD2 3.83Å; E481-L488 HydrophobicContact CB-CB 4.05Å; E481-L488 HydrophobicContact CB-CD1 4.28Å; E481-L488 HydrophobicContact CB-CG 4.34Å; L488-D492 HydrophobicContact CB-CB 4.15Å; L488-D492 HydrophobicContact CD2-CB 4.15Å; L488-T493 HydrophobicContact CB-CG2 4.04Å; L488-T493 HydrophobicContact CD1-CG2 4.1Å
489S85.7Confident90Very high35 Ų3552.4 Ų52.425%0.24523%0.234CC..  trans-74.2156.3161.369.40000110.5E491 D492 T493S489-E491 PolarHBondContact O-N 3.2Å; S489-D492 WeakPolarHBondContact CB-OD2 3.31Å; S489-D492 PolarHBondContact N-OD2 3.15Å; S489-D492 PolarHBondContact O-N 2.68Å; S489-D492 VanDerWaalsContact O-N 3.13Å; S489-D492 WeakPolarHBondContact OG-CB 3.14Å; S489-D492 PolarHBondContact OG-N 2.96Å; S489-D492 VanDerWaalsContact OG-N 3.09Å; S489-D492 PolarHBondContact OG-OD2 2.84Å; S489-T493 WeakPolarHBondContact O-CG2 3.33Å; S489-T493 PolarHBondContact O-N 2.69Å
490P85.2Confident90Very high26 Ų2657.3 Ų57.317%0.16926%0.255CS..THydrogen-bonded Turntrans-51.4-38.8172.1-26.835.4000112.7F482 K485 T493 P496F482-P490 HydrophobicContact CD2-CB 4.28Å; F482-P490 HydrophobicContact CE2-CB 4.34Å; K485-P490 HydrophobicContact CD-CG 3.99Å; K485-P490 HydrophobicContact CG-CG 4.28Å; P490-T493 PolarHBondContact O-N 2.98Å; P490-T493 PolarHBondContact O-OG1 3.01Å; P490-P496 HydrophobicContact CB-CG 4.42Å; P490-P496 WeakPolarHBondContact O-CD 3.5Å; P490-P496 WeakPolarHBondContact O-CG 3.39Å
491E87.9Confident90.2Very high119 Ų11952.7 Ų52.756%0.55624%0.238SC*.THydrogen-bonded Turntrans-65.5-41.3179.9-64.763.8-139.700112S489 T493 E494S489-E491 PolarHBondContact O-N 3.2Å; E491-T493 VanDerWaalsContact C-N 3.26Å; E491-T493 PolarHBondContact O-N 3.09Å; E491-E494 PolarHBondContact O-N 2.52Å; E491-E494 VanDerWaalsContact O-N 3.13Å
492D87.6Confident90.2Very high35 Ų3552.7 Ų52.719%0.18724%0.238CC..THydrogen-bonded Turntrans-66.7-24.7175.4-66.6-48.2000113Q439 L443 L488 S489 E494Q439-D492 PolarHBondContact NE2-OD2 3.47Å; L443-D492 HydrophobicContact CD2-CB 4.18Å; L488-D492 HydrophobicContact CB-CB 4.15Å; L488-D492 HydrophobicContact CD2-CB 4.15Å; S489-D492 WeakPolarHBondContact CB-OD2 3.31Å; S489-D492 PolarHBondContact N-OD2 3.15Å; S489-D492 PolarHBondContact O-N 2.68Å; S489-D492 VanDerWaalsContact O-N 3.13Å; S489-D492 WeakPolarHBondContact OG-CB 3.14Å; S489-D492 PolarHBondContact OG-N 2.96Å; S489-D492 VanDerWaalsContact OG-N 3.09Å; S489-D492 PolarHBondContact OG-OD2 2.84Å; D492-E494 PolarHBondContact O-N 2.65Å
493T91.3Very high90Very high0 Ų054.2 Ų54.20%025%0.246CC..THydrogen-bonded Turntrans-74-8.3173.874.70000113.5V477 E481 F482 L488 S489 P490 E491 I495V477-T493 VanDerWaalsContact CA-O 3.24Å; V477-T493 WeakPolarHBondContact CA-O 3.26Å; V477-T493 WeakPolarHBondContact CB-O 3.37Å; V477-T493 WeakPolarHBondContact CG1-O 3.34Å; E481-T493 HydrophobicContact CB-CG2 4.25Å; F482-T493 HydrophobicContact CB-CG2 4.25Å; L488-T493 HydrophobicContact CB-CG2 4.04Å; L488-T493 HydrophobicContact CD1-CG2 4.1Å; S489-T493 WeakPolarHBondContact O-CG2 3.33Å; S489-T493 PolarHBondContact O-N 2.69Å; P490-T493 PolarHBondContact O-N 2.98Å; P490-T493 PolarHBondContact O-OG1 3.01Å; E491-T493 VanDerWaalsContact C-N 3.26Å; E491-T493 PolarHBondContact O-N 3.09Å; T493-I495 PolarHBondContact O-N 2.79Å
494E94.9Very high89.9Confident19 Ų1955.5 Ų55.59%0.08926%0.256CS..  trans55.6-1.9-175.7-56-162.6126.400117.1K450 F475 T476 V477 E491 D492 P496 K497 L498K450-E494 VanDerWaalsContact CE-OE2 3.24Å; K450-E494 WeakPolarHBondContact CE-OE2 3.31Å; K450-E494 IonicContact NZ-OE1 3.23Å; K450-E494 PolarHBondContact NZ-OE1 3.45Å; K450-E494 IonicContact NZ-OE2 2.65Å; K450-E494 PolarHBondContact NZ-OE2 2.87Å; F475-E494 WeakPolarHBondContact CA-OE2 3.49Å; T476-E494 PolarHBondContact N-OE2 2.96Å; T476-E494 PolarHBondContact OG1-OE2 2.88Å; V477-E494 HydrophobicContact CG1-CB 4.32Å; E491-E494 PolarHBondContact O-N 2.52Å; E491-E494 VanDerWaalsContact O-N 3.13Å; D492-E494 PolarHBondContact O-N 2.65Å; E494-P496 VanDerWaalsContact C-CD 3.46Å; E494-P496 VanDerWaalsContact C-N 3.29Å; E494-K497 HydrophobicContact CB-CD 4.06Å; E494-K497 HydrophobicContact CB-CG 4.42Å; E494-K497 HydrophobicContact CG-CD 4.09Å; E494-K497 WeakPolarHBondContact O-CA 3.37Å; E494-K497 VanDerWaalsContact O-CB 3.29Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 3.3Å; E494-K497 IonicContact OE1-NZ 3.03Å; E494-K497 PolarHBondContact OE1-NZ 3.36Å; E494-L498 PolarHBondContact O-N 3.24Å
495I95.7Very high89.9Confident0 Ų048.4 Ų48.40%023%0.23CC..Hα-helixtrans-56.9-36.5172.7-63.9-168.7000111.9A185 V186 V477 F482 T493 K497 L498 Q499A185-I495 HydrophobicContact CB-CD1 3.63Å; V186-I495 HydrophobicContact CG2-CG2 4.04Å; V477-I495 HydrophobicContact CB-CD1 4.49Å; V477-I495 HydrophobicContact CB-CG1 4.02Å; V477-I495 HydrophobicContact CG1-CG1 4.21Å; F482-I495 HydrophobicContact CB-CD1 3.9Å; F482-I495 HydrophobicContact CD1-CG2 4.38Å; F482-I495 HydrophobicContact CD2-CB 3.82Å; F482-I495 HydrophobicContact CD2-CG2 3.93Å; F482-I495 HydrophobicContact CE1-CG2 4.34Å; F482-I495 HydrophobicContact CE2-CB 4.14Å; F482-I495 HydrophobicContact CE2-CG2 3.89Å; F482-I495 HydrophobicContact CG-CB 4.25Å; F482-I495 HydrophobicContact CG-CD1 4.11Å; F482-I495 HydrophobicContact CG-CG2 4.19Å; F482-I495 HydrophobicContact CZ-CG2 4.11Å; T493-I495 PolarHBondContact O-N 2.79Å; I495-K497 PolarHBondContact O-N 3.05Å; I495-L498 PolarHBondContact O-N 3.05Å; I495-L498 VanDerWaalsContact O-N 3.1Å; I495-Q499 PolarHBondContact O-N 2.86Å
496P95.7Very high89.7Confident36 Ų3642.9 Ų42.923%0.23421%0.207CC..Hα-helixtrans-57-27.8169.3-29.338000114.9F482 P490 E494 Q499 E500F482-P496 HydrophobicContact CE2-CG 4.27Å; P490-P496 HydrophobicContact CB-CG 4.42Å; P490-P496 WeakPolarHBondContact O-CD 3.5Å; P490-P496 WeakPolarHBondContact O-CG 3.39Å; E494-P496 VanDerWaalsContact C-CD 3.46Å; E494-P496 VanDerWaalsContact C-N 3.29Å; P496-Q499 PolarHBondContact O-N 3.21Å; P496-E500 WeakPolarHBondContact O-CB 3.3Å; P496-E500 PolarHBondContact O-N 3.46Å
497K95.5Very high89.5Confident91 Ų9138.2 Ų38.240%0.39619%0.194SC..Hα-helixtrans-77.3-32.2177.1-50.8-179.4-170.9175.90111.8F475 E494 I495 F501F475-K497 HydrophobicContact CD1-CB 4.32Å; F475-K497 HydrophobicContact CE1-CB 3.85Å; E494-K497 HydrophobicContact CB-CD 4.06Å; E494-K497 HydrophobicContact CB-CG 4.42Å; E494-K497 HydrophobicContact CG-CD 4.09Å; E494-K497 WeakPolarHBondContact O-CA 3.37Å; E494-K497 VanDerWaalsContact O-CB 3.29Å; E494-K497 WeakPolarHBondContact O-CB 3.48Å; E494-K497 PolarHBondContact O-N 3.3Å; E494-K497 IonicContact OE1-NZ 3.03Å; E494-K497 PolarHBondContact OE1-NZ 3.36Å; I495-K497 PolarHBondContact O-N 3.05Å; K497-F501 WeakPolarHBondContact O-CB 3.25Å; K497-F501 PolarHBondContact O-N 2.93Å
498L95.8Very high89.2Confident0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-71-37169.9-66.5175.5000111.1L182 V186 W383 V420 F475 V477 E494 I495 F501 L502L182-L498 HydrophobicContact CD1-CD1 3.95Å; V186-L498 HydrophobicContact CG2-CB 4.11Å; V186-L498 HydrophobicContact CG2-CD1 4.23Å; W383-L498 HydrophobicContact CH2-CB 4.27Å; W383-L498 HydrophobicContact CH2-CD2 4.49Å; W383-L498 HydrophobicContact CZ2-CB 4.44Å; W383-L498 HydrophobicContact CZ2-CD2 4.08Å; V420-L498 HydrophobicContact CG1-CD1 4.33Å; F475-L498 HydrophobicContact CD1-CD2 4.05Å; F475-L498 HydrophobicContact CD1-CG 4.25Å; F475-L498 HydrophobicContact CD2-CD2 3.8Å; F475-L498 HydrophobicContact CE1-CD2 4.11Å; F475-L498 HydrophobicContact CE2-CD2 3.85Å; F475-L498 HydrophobicContact CG-CD2 3.9Å; F475-L498 HydrophobicContact CG-CG 4.35Å; F475-L498 HydrophobicContact CZ-CD2 4.01Å; V477-L498 HydrophobicContact CG1-CD1 4.14Å; E494-L498 PolarHBondContact O-N 3.24Å; I495-L498 PolarHBondContact O-N 3.05Å; I495-L498 VanDerWaalsContact O-N 3.1Å; L498-F501 PolarHBondContact O-N 2.96Å; L498-L502 WeakPolarHBondContact O-CG 3.39Å; L498-L502 PolarHBondContact O-N 2.82Å
499Q95.2Very high89.1Confident14 Ų1439.8 Ų39.87%0.06520%0.203CC..Hα-helixtrans-63.5-48.6172-75.6170.1-9.400111.7A185 V186 F349 I495 P496 F501 L502 Q503A185-Q499 PolarHBondContact O-NE2 3.03Å; V186-Q499 HydrophobicContact CG1-CG 4.11Å; V186-Q499 WeakPolarHBondContact O-CG 3.39Å; V186-Q499 PolarHBondContact O-NE2 3.42Å; F349-Q499 HydrophobicContact CD1-CB 4.29Å; F349-Q499 HydrophobicContact CD1-CG 4.47Å; F349-Q499 HydrophobicContact CE1-CB 3.64Å; F349-Q499 HydrophobicContact CE1-CG 3.97Å; F349-Q499 HydrophobicContact CE2-CG 4.05Å; F349-Q499 HydrophobicContact CZ-CB 3.8Å; F349-Q499 HydrophobicContact CZ-CG 3.72Å; I495-Q499 PolarHBondContact O-N 2.86Å; P496-Q499 PolarHBondContact O-N 3.21Å; Q499-F501 VanDerWaalsContact C-N 3.28Å; Q499-F501 PolarHBondContact O-N 3.27Å; Q499-L502 PolarHBondContact O-N 3.18Å; Q499-Q503 WeakPolarHBondContact O-CB 3.45Å; Q499-Q503 PolarHBondContact O-N 3.08Å
500E93.8Very high88.7Confident121 Ų12140.9 Ų40.957%0.56521%0.211SC*.Hα-helixtrans-54.6-44172.1178.3177.3-156.400111.1P496 Q503 N504P496-E500 WeakPolarHBondContact O-CB 3.3Å; P496-E500 PolarHBondContact O-N 3.46Å; E500-Q503 PolarHBondContact O-N 2.83Å; E500-N504 PolarHBondContact O-N 2.67Å; E500-N504 PolarHBondContact O-ND2 3.16Å
501F93.2Very high88.5Confident26 Ų2641.7 Ų41.711%0.11421%0.212CC..Hα-helixtrans-63.4-45.4176173.8-93.5000113.4T381 H416 H418 K497 L498 Q499 Q503 N504 L505T381-F501 HydrophobicContact CG2-CE1 3.75Å; T381-F501 HydrophobicContact CG2-CZ 3.81Å; T381-F501 WeakPolarHBondContact OG1-CZ 3.3Å; H416-F501 HydrophobicContact CB-CE2 4.36Å; H416-F501 HydrophobicContact CB-CZ 4.12Å; H416-F501 AromaticContact CD2-CE2 3.83Å; H416-F501 AromaticContact CD2-CZ 3.79Å; H416-F501 AromaticContact CG-CE2 4Å; H418-F501 AromaticContact CE1-CD1 3.66Å; H418-F501 AromaticContact CE1-CD2 3.6Å; H418-F501 AromaticContact CE1-CE1 3.63Å; H418-F501 AromaticContact CE1-CE2 3.54Å; H418-F501 AromaticContact CE1-CG 3.65Å; H418-F501 AromaticContact CE1-CZ 3.55Å; H418-F501 AromaticContact NE2-CE2 3.87Å; K497-F501 WeakPolarHBondContact O-CB 3.25Å; K497-F501 PolarHBondContact O-N 2.93Å; L498-F501 PolarHBondContact O-N 2.96Å; Q499-F501 VanDerWaalsContact C-N 3.28Å; Q499-F501 PolarHBondContact O-N 3.27Å; F501-Q503 VanDerWaalsContact C-N 3.31Å; F501-Q503 PolarHBondContact O-N 2.89Å; F501-N504 PolarHBondContact O-N 2.73Å; F501-L505 HydrophobicContact CD1-CD1 4.29Å; F501-L505 HydrophobicContact CE1-CD1 3.46Å; F501-L505 VanDerWaalsContact CE1-CD1 3.46Å; F501-L505 HydrophobicContact CE1-CG 3.99Å; F501-L505 HydrophobicContact CZ-CD1 3.75Å; F501-L505 HydrophobicContact CZ-CD2 4.22Å; F501-L505 HydrophobicContact CZ-CG 3.99Å; F501-L505 PolarHBondContact O-N 2.75Å
502L92.6Very high88.3Confident0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-64.4-36.8175.5-66.2-169.5000111.9V169 V186 F349 V353 L355 W383 L498 Q499 N504 L505 N506V169-L502 HydrophobicContact CG2-CD2 4.04Å; V186-L502 HydrophobicContact CG1-CD1 3.5Å; V186-L502 HydrophobicContact CG1-CG 4.4Å; F349-L502 HydrophobicContact CB-CB 4.3Å; F349-L502 HydrophobicContact CB-CD1 4.11Å; F349-L502 HydrophobicContact CD1-CB 4.45Å; V353-L502 HydrophobicContact CG1-CD2 4.12Å; L355-L502 HydrophobicContact CD1-CD1 4.25Å; L355-L502 HydrophobicContact CD2-CD1 3.91Å; L355-L502 HydrophobicContact CD2-CD2 4.09Å; W383-L502 HydrophobicContact CH2-CD1 4.24Å; W383-L502 HydrophobicContact CH2-CD2 4.25Å; W383-L502 HydrophobicContact CH2-CG 4.33Å; W383-L502 HydrophobicContact CZ2-CD2 3.81Å; W383-L502 HydrophobicContact CZ2-CG 4.24Å; L498-L502 WeakPolarHBondContact O-CG 3.39Å; L498-L502 PolarHBondContact O-N 2.82Å; Q499-L502 PolarHBondContact O-N 3.18Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 2.86Å; L502-L505 HydrophobicContact CD2-CD1 4.35Å; L502-L505 WeakPolarHBondContact O-CB 3.49Å; L502-L505 PolarHBondContact O-N 2.84Å; L502-L505 VanDerWaalsContact O-N 3.09Å; L502-N506 PolarHBondContact O-N 3.11Å
503Q89.8Confident88.2Confident54 Ų5436.2 Ų36.225%0.25219%0.186SC..Hα-helixtrans-66.7-35.3176.9-159169.30.800111.5N120 F349 Q499 E500 F501 L505 N506 D507N120-Q503 PolarHBondContact OD1-NE2 2.92Å; F349-Q503 HydrophobicContact CD1-CB 4.5Å; Q499-Q503 WeakPolarHBondContact O-CB 3.45Å; Q499-Q503 PolarHBondContact O-N 3.08Å; E500-Q503 PolarHBondContact O-N 2.83Å; F501-Q503 VanDerWaalsContact C-N 3.31Å; F501-Q503 PolarHBondContact O-N 2.89Å; Q503-L505 VanDerWaalsContact C-N 3.34Å; Q503-N506 PolarHBondContact O-N 2.85Å; Q503-D507 PolarHBondContact O-N 2.96Å
504N87.3Confident87.9Confident106 Ų10638.8 Ų38.857%0.56720%0.2SC*.Hα-helixtrans-70.9-21.3170-74.3-67.2000113.9E500 F501 L502E500-N504 PolarHBondContact O-N 2.67Å; E500-N504 PolarHBondContact O-ND2 3.16Å; F501-N504 PolarHBondContact O-N 2.73Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 2.86Å
505L86.6Confident87.6Confident13 Ų1338.7 Ų38.77%0.06820%0.199CC..Hα-helixtrans-79.4-31.9168.3-71.5-177.5000112K165 E167 V169 V353 F501 L502 Q503K165-L505 VanDerWaalsContact CE-O 3.29Å; K165-L505 WeakPolarHBondContact CE-O 3.5Å; E167-L505 HydrophobicContact CB-CB 4.42Å; E167-L505 HydrophobicContact CB-CD1 4.47Å; E167-L505 HydrophobicContact CG-CB 4.34Å; E167-L505 HydrophobicContact CG-CD2 4.41Å; V169-L505 HydrophobicContact CG2-CD1 4.04Å; V353-L505 HydrophobicContact CG2-CB 3.57Å; V353-L505 HydrophobicContact CG2-CD1 4.22Å; F501-L505 HydrophobicContact CD1-CD1 4.29Å; F501-L505 HydrophobicContact CE1-CD1 3.46Å; F501-L505 VanDerWaalsContact CE1-CD1 3.46Å; F501-L505 HydrophobicContact CE1-CG 3.99Å; F501-L505 HydrophobicContact CZ-CD1 3.75Å; F501-L505 HydrophobicContact CZ-CD2 4.22Å; F501-L505 HydrophobicContact CZ-CG 3.99Å; F501-L505 PolarHBondContact O-N 2.75Å; L502-L505 HydrophobicContact CD2-CD1 4.35Å; L502-L505 WeakPolarHBondContact O-CB 3.49Å; L502-L505 PolarHBondContact O-N 2.84Å; L502-L505 VanDerWaalsContact O-N 3.09Å; Q503-L505 VanDerWaalsContact C-N 3.34Å
506N83.1Confident87.4Confident7 Ų738.7 Ų38.74%0.03720%0.199CC..Hα-helixtrans-76-19.4175.4-79.1-15.5000114.3P348 F349 L350 Q351 H352 V353 L502 Q503 C508P348-N506 PolarHBondContact O-ND2 2.85Å; F349-N506 VanDerWaalsContact CA-ND2 3.34Å; F349-N506 WeakPolarHBondContact CA-ND2 3.5Å; F349-N506 PolarHBondContact O-ND2 3.41Å; L350-N506 PolarHBondContact N-ND2 2.92Å; Q351-N506 HydrophobicContact CB-CB 4.47Å; Q351-N506 PolarHBondContact N-ND2 3.36Å; H352-N506 WeakPolarHBondContact CA-OD1 3.42Å; H352-N506 PolarHBondContact N-OD1 2.95Å; V353-N506 WeakPolarHBondContact CB-OD1 3.38Å; V353-N506 WeakPolarHBondContact CG2-OD1 3.5Å; V353-N506 PolarHBondContact N-OD1 3.46Å; L502-N506 PolarHBondContact O-N 3.11Å; Q503-N506 PolarHBondContact O-N 2.85Å; N506-C508 PolarHBondContact O-N 2.73Å
507D79.1Confident87Confident72 Ų7237.9 Ų37.939%0.38519%0.194SC..  trans-47.8109172.8178.41.5000110.2K165 Q503 H509K165-D507 PolarHBondContact NZ-O 3.44Å; Q503-D507 PolarHBondContact O-N 2.96Å; D507-H509 WeakPolarHBondContact OD1-CB 3.39Å; D507-H509 PolarHBondContact OD1-N 3.3Å
508C74.6Confident86.8Confident21 Ų2133.9 Ų33.914%0.14218%0.179CC..  trans-102.89.7-176.667.60000112.5N506 S510 E511 T512N506-C508 PolarHBondContact O-N 2.73Å; C508-S510 PolarHBondContact O-N 3.46Å; C508-E511 PolarHBondContact O-N 3Å; C508-T512 WeakPolarHBondContact O-CB 3.34Å; C508-T512 PolarHBondContact O-N 2.73Å; C508-T512 PolarHBondContact O-OG1 2.99Å
509H80.3Confident86.6Confident40 Ų4033.9 Ų33.919%0.18518%0.179CC..Hα-helixtrans-51.3-44.2-177.2176.893.4000112.1E126 D507 E511 T512 L513 L808E126-H509 IonicContact OE1-CE1 2.67Å; E126-H509 IonicContact OE1-CG 2.73Å; E126-H509 IonicContact OE1-ND1 3.2Å; E126-H509 PolarHBondContact OE1-ND1 2.72Å; E126-H509 VanDerWaalsContact OE2-CA 3.24Å; E126-H509 WeakPolarHBondContact OE2-CA 3.25Å; E126-H509 WeakPolarHBondContact OE2-CB 3.43Å; E126-H509 IonicContact OE2-CG 3.55Å; E126-H509 IonicContact OE2-ND1 2.75Å; D507-H509 WeakPolarHBondContact OD1-CB 3.39Å; D507-H509 PolarHBondContact OD1-N 3.3Å; H509-E511 PolarHBondContact O-N 3.48Å; H509-T512 PolarHBondContact O-N 3.12Å; H509-L513 VanDerWaalsContact O-CB 3.26Å; H509-L513 WeakPolarHBondContact O-CB 3.48Å; H509-L513 PolarHBondContact O-N 3.15Å; H509-L808 PolarHBondContact CE1-O 3.37Å; H509-L808 VanDerWaalsContact CE1-O 3.3Å
510S77.9Confident86.5Confident59 Ų5933.4 Ų33.441%0.41318%0.177SC..Hα-helixtrans-65.1-41.8-179.4810000112.2C508 L513 N514C508-S510 PolarHBondContact O-N 3.46Å; S510-L513 PolarHBondContact O-N 3.28Å; S510-N514 WeakPolarHBondContact O-CB 3.45Å; S510-N514 PolarHBondContact O-N 2.89Å; S510-N514 PolarHBondContact O-ND2 2.81Å; S510-N514 PolarHBondContact O-OD1 2.75Å
511E80.5Confident86.3Confident43 Ų4327.8 Ų27.820%0.20115%0.152CC..Hα-helixtrans-71-38.1178.7-68.283.4169.800112.1K165 C508 H509 N514 Y515K165-E511 HydrophobicContact CB-CG 4.25Å; K165-E511 HydrophobicContact CD-CG 4.35Å; K165-E511 VanDerWaalsContact CD-OE1 3.23Å; K165-E511 WeakPolarHBondContact CD-OE1 3.45Å; K165-E511 WeakPolarHBondContact CE-OE1 3.17Å; K165-E511 IonicContact NZ-OE1 3.29Å; K165-E511 PolarHBondContact NZ-OE1 3.18Å; K165-E511 IonicContact NZ-OE2 2.96Å; K165-E511 PolarHBondContact NZ-OE2 3.02Å; C508-E511 PolarHBondContact O-N 3Å; H509-E511 PolarHBondContact O-N 3.48Å; E511-N514 PolarHBondContact O-N 3.12Å; E511-Y515 PolarHBondContact O-N 3.23Å
512T84.2Confident86.2Confident1 Ų126.9 Ų26.91%0.00615%0.148CC..Hα-helixtrans-61.9-49.6171.3-66.30000111.1L130 C508 H509 N514 Y515 V516 L808L130-T512 HydrophobicContact CB-CG2 4.06Å; L130-T512 HydrophobicContact CD1-CG2 4.45Å; C508-T512 WeakPolarHBondContact O-CB 3.34Å; C508-T512 PolarHBondContact O-N 2.73Å; C508-T512 PolarHBondContact O-OG1 2.99Å; H509-T512 PolarHBondContact O-N 3.12Å; T512-N514 VanDerWaalsContact C-N 3.28Å; T512-N514 PolarHBondContact O-N 3.26Å; T512-Y515 PolarHBondContact O-N 3.36Å; T512-V516 HydrophobicContact CG2-CG2 4.48Å; T512-V516 WeakPolarHBondContact O-CB 3.34Å; T512-V516 VanDerWaalsContact O-CG2 3.31Å; T512-V516 WeakPolarHBondContact O-CG2 3.26Å; T512-V516 PolarHBondContact O-N 2.97Å; T512-L808 HydrophobicContact CG2-CD1 3.89Å; T512-L808 HydrophobicContact CG2-CD2 4.01Å
513L85.5Confident86.2Confident37 Ų3726.9 Ų26.919%0.19415%0.148CC..Hα-helixtrans-62.1-35.1177.1178.760.5000112.4H509 S510 S517 L808 R809H509-L513 VanDerWaalsContact O-CB 3.26Å; H509-L513 WeakPolarHBondContact O-CB 3.48Å; H509-L513 PolarHBondContact O-N 3.15Å; S510-L513 PolarHBondContact O-N 3.28Å; L513-S517 WeakPolarHBondContact O-CB 3.44Å; L513-S517 PolarHBondContact O-N 2.7Å; L513-S517 PolarHBondContact O-OG 3.15Å; L513-L808 HydrophobicContact CD1-CB 4.18Å; L513-R809 HydrophobicContact CD1-CG 3.85Å
514N84.8Confident86.2Confident55 Ų5524.3 Ų24.329%0.29414%0.136SC..Hα-helixtrans-67.1-47.7174.2-66.3-23.9000111.5S510 E511 T512 S517 G518 I690S510-N514 WeakPolarHBondContact O-CB 3.45Å; S510-N514 PolarHBondContact O-N 2.89Å; S510-N514 PolarHBondContact O-ND2 2.81Å; S510-N514 PolarHBondContact O-OD1 2.75Å; E511-N514 PolarHBondContact O-N 3.12Å; T512-N514 VanDerWaalsContact C-N 3.28Å; T512-N514 PolarHBondContact O-N 3.26Å; N514-S517 PolarHBondContact O-N 3.41Å; N514-G518 PolarHBondContact O-N 2.69Å; N514-I690 HydrophobicContact CB-CD1 4.09Å; N514-I690 VanDerWaalsContact OD1-CD1 3.27Å; N514-I690 WeakPolarHBondContact OD1-CD1 3.46Å
515Y88.9Confident86.2Confident16 Ų1619.8 Ų19.86%0.06311%0.112CC..Hα-helixtrans-58.9-49.7176.7-174.8-85.8000111.2L130 V133 R134 L161 E162 E511 T512 S517 G518 A519L130-Y515 HydrophobicContact CD1-CD1 3.47Å; L130-Y515 VanDerWaalsContact CD1-CD1 3.47Å; L130-Y515 HydrophobicContact CD1-CD2 4.46Å; L130-Y515 HydrophobicContact CD1-CE1 4.16Å; L130-Y515 HydrophobicContact CD1-CG 3.66Å; V133-Y515 HydrophobicContact CB-CE1 4.29Å; V133-Y515 HydrophobicContact CG1-CD1 4.23Å; V133-Y515 HydrophobicContact CG1-CE1 3.94Å; R134-Y515 WeakPolarHBondContact CA-OH 2.96Å; L161-Y515 HydrophobicContact CB-CD2 3.64Å; L161-Y515 HydrophobicContact CB-CE2 3.39Å; L161-Y515 HydrophobicContact CD1-CE2 4.2Å; L161-Y515 HydrophobicContact CG-CE2 4.44Å; L161-Y515 WeakPolarHBondContact O-CD2 3.03Å; E162-Y515 HydrophobicContact CG-CD2 4.23Å; E162-Y515 HydrophobicContact CG-CE2 3.63Å; E511-Y515 PolarHBondContact O-N 3.23Å; T512-Y515 PolarHBondContact O-N 3.36Å; Y515-S517 PolarHBondContact O-N 3.05Å; Y515-G518 PolarHBondContact O-N 3.12Å; Y515-A519 WeakPolarHBondContact O-CB 3.41Å; Y515-A519 PolarHBondContact O-N 3.34Å
516V90.4Very high86.3Confident0 Ų019.2 Ų19.20%011%0.109CC..Hα-helixtrans-66.9-36.6-178.9175.60000111.8V133 T512 H520 V801 R805 L808V133-V516 HydrophobicContact CB-CG2 4.23Å; V133-V516 HydrophobicContact CG1-CG2 4.39Å; V133-V516 HydrophobicContact CG2-CG1 4.41Å; V133-V516 HydrophobicContact CG2-CG2 3.92Å; T512-V516 HydrophobicContact CG2-CG2 4.48Å; T512-V516 WeakPolarHBondContact O-CB 3.34Å; T512-V516 VanDerWaalsContact O-CG2 3.31Å; T512-V516 WeakPolarHBondContact O-CG2 3.26Å; T512-V516 PolarHBondContact O-N 2.97Å; V516-H520 WeakPolarHBondContact O-CB 3.21Å; V516-H520 PolarHBondContact O-N 2.98Å; V516-V801 HydrophobicContact CG1-CG1 4.13Å; V516-R805 HydrophobicContact CG1-CB 3.8Å; V516-R805 HydrophobicContact CG1-CG 4.34Å; V516-L808 HydrophobicContact CB-CD1 4.01Å; V516-L808 HydrophobicContact CG1-CD1 4.12Å; V516-L808 HydrophobicContact CG2-CD1 3.83Å
517S88.9Confident86.4Confident19 Ų1920.6 Ų20.613%0.13312%0.115CC..Hα-helixtrans-70.2-35.5173.4-64.90000112.9L513 N514 Y515 H520 G521 R805L513-S517 WeakPolarHBondContact O-CB 3.44Å; L513-S517 PolarHBondContact O-N 2.7Å; L513-S517 PolarHBondContact O-OG 3.15Å; N514-S517 PolarHBondContact O-N 3.41Å; Y515-S517 PolarHBondContact O-N 3.05Å; S517-H520 WeakPolarHBondContact O-CB 3.23Å; S517-H520 PolarHBondContact O-N 3.24Å; S517-G521 PolarHBondContact O-N 2.96Å; S517-R805 PolarHBondContact OG-NE 3.24Å; S517-R805 VanDerWaalsContact OG-NE 3.13Å
518G89.9Confident86.6Confident8 Ų817.2 Ų17.28%0.08210%0.097CC..Hα-helixtrans-66-45.4172.800000112.2L161 N514 Y515 H520 G521 I522L161-G518 VanDerWaalsContact CD2-C 3.45Å; N514-G518 PolarHBondContact O-N 2.69Å; Y515-G518 PolarHBondContact O-N 3.12Å; G518-H520 VanDerWaalsContact C-N 3.33Å; G518-H520 PolarHBondContact O-N 3.03Å; G518-G521 PolarHBondContact O-N 2.77Å; G518-G521 VanDerWaalsContact O-N 3.12Å; G518-I522 WeakPolarHBondContact O-CG1 3.5Å; G518-I522 PolarHBondContact O-N 2.88Å
519A92.4Very high86.9Confident0 Ų017 Ų170%010%0.097CC..Hα-helixtrans-56.6-46.2173.400000111.6V133 M137 L161 Y515 G521 I522 L523 V801V133-A519 HydrophobicContact CG1-CB 3.55Å; M137-A519 HydrophobicContact CG-CB 3.77Å; M137-A519 HydrophobicContact SD-CB 3.69Å; L161-A519 HydrophobicContact CD1-CB 4.16Å; Y515-A519 WeakPolarHBondContact O-CB 3.41Å; Y515-A519 PolarHBondContact O-N 3.34Å; A519-G521 VanDerWaalsContact C-N 3.32Å; A519-G521 PolarHBondContact O-N 2.88Å; A519-I522 PolarHBondContact O-N 3.01Å; A519-L523 WeakPolarHBondContact O-CB 3.42Å; A519-L523 WeakPolarHBondContact O-CG 3.09Å; A519-L523 PolarHBondContact O-N 2.99Å; A519-V801 HydrophobicContact CB-CG1 4.22Å
520H92.7Very high86.8Confident3 Ų318.2 Ų18.21%0.01411%0.105CC..Hα-helixtrans-57.4-42.1173.7-171.7-62000112.7V516 S517 G518 L523 S524 V801 R805V516-H520 WeakPolarHBondContact O-CB 3.21Å; V516-H520 PolarHBondContact O-N 2.98Å; S517-H520 WeakPolarHBondContact O-CB 3.23Å; S517-H520 PolarHBondContact O-N 3.24Å; G518-H520 VanDerWaalsContact C-N 3.33Å; G518-H520 PolarHBondContact O-N 3.03Å; H520-L523 PolarHBondContact O-N 3.44Å; H520-S524 PolarHBondContact ND1-OG 3.35Å; H520-S524 VanDerWaalsContact O-CB 3.31Å; H520-S524 WeakPolarHBondContact O-CB 3.39Å; H520-S524 PolarHBondContact O-N 3.13Å; H520-S524 PolarHBondContact O-OG 3.21Å; H520-V801 HydrophobicContact CB-CG1 4.09Å; H520-R805 WeakPolarHBondContact CD2-CD 3.49Å; H520-R805 PolarHBondContact CE1-NH1 3.25Å; H520-R805 PolarHBondContact NE2-NH1 2.81Å
521G90.5Very high86.6Confident4 Ų420.8 Ų20.84%0.04111%0.113CC..Hα-helixtrans-64.8-38.3177.500000113.8S517 G518 A519 L525 S680 S683S517-G521 PolarHBondContact O-N 2.96Å; G518-G521 PolarHBondContact O-N 2.77Å; G518-G521 VanDerWaalsContact O-N 3.12Å; A519-G521 VanDerWaalsContact C-N 3.32Å; A519-G521 PolarHBondContact O-N 2.88Å; G521-L525 PolarHBondContact O-N 3.21Å; G521-S680 PolarHBondContact O-OG 3.18Å; G521-S683 VanDerWaalsContact CA-CB 3.49Å
522I90.6Very high86Confident7 Ų721.3 Ų21.34%0.03611%0.113CC..Hα-helixtrans-70.3-43.3175.4-65.8172.6000110.6M137 L154 K157 I158 L161 G518 A519 S524 L525 I526M137-I522 HydrophobicContact CE-CB 4.22Å; M137-I522 HydrophobicContact CE-CG2 3.91Å; L154-I522 HydrophobicContact CD2-CG2 4.13Å; K157-I522 HydrophobicContact CB-CD1 3.85Å; K157-I522 HydrophobicContact CB-CG1 4.35Å; I158-I522 HydrophobicContact CG1-CD1 3.96Å; I158-I522 HydrophobicContact CG1-CG2 4.18Å; L161-I522 HydrophobicContact CD1-CD1 4.1Å; L161-I522 HydrophobicContact CD2-CD1 3.87Å; L161-I522 HydrophobicContact CG-CD1 4.04Å; G518-I522 WeakPolarHBondContact O-CG1 3.5Å; G518-I522 PolarHBondContact O-N 2.88Å; A519-I522 PolarHBondContact O-N 3.01Å; I522-S524 VanDerWaalsContact C-N 3.33Å; I522-S524 PolarHBondContact O-N 3.39Å; I522-L525 WeakPolarHBondContact O-CB 3.3Å; I522-L525 PolarHBondContact O-N 3.08Å; I522-I526 HydrophobicContact CG2-CD1 4.01Å; I522-I526 WeakPolarHBondContact O-CG1 3.22Å; I522-I526 PolarHBondContact O-N 2.8Å
523L91.5Very high84.8Confident0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-61.2-41174.3-76.7162.1000112.1M137 I140 A519 H520 L525 I526 H527 V794 Q797 L798 V801M137-L523 HydrophobicContact SD-CD1 4.18Å; M137-L523 HydrophobicContact SD-CG 4.29Å; I140-L523 HydrophobicContact CD1-CD2 3.48Å; I140-L523 VanDerWaalsContact CD1-CD2 3.48Å; I140-L523 HydrophobicContact CD1-CG 4.37Å; A519-L523 WeakPolarHBondContact O-CB 3.42Å; A519-L523 WeakPolarHBondContact O-CG 3.09Å; A519-L523 PolarHBondContact O-N 2.99Å; H520-L523 PolarHBondContact O-N 3.44Å; L523-L525 VanDerWaalsContact C-N 3.32Å; L523-L525 PolarHBondContact O-N 3.3Å; L523-I526 PolarHBondContact O-N 2.69Å; L523-H527 WeakPolarHBondContact O-CB 3.28Å; L523-H527 PolarHBondContact O-N 2.98Å; L523-V794 HydrophobicContact CD2-CB 3.63Å; L523-V794 HydrophobicContact CD2-CG1 4.28Å; L523-V794 HydrophobicContact CD2-CG2 3.77Å; L523-Q797 HydrophobicContact CD2-CB 3.77Å; L523-L798 HydrophobicContact CB-CB 4.15Å; L523-L798 HydrophobicContact CB-CD1 3.77Å; L523-L798 HydrophobicContact CB-CG 4.5Å; L523-V801 HydrophobicContact CD1-CB 3.66Å; L523-V801 HydrophobicContact CD1-CG1 3.98Å; L523-V801 HydrophobicContact CD1-CG2 3.56Å
524S89.8Confident83.5Confident0 Ų036.5 Ų36.50%018%0.18CC..Hα-helixtrans-66.7-33.2176.4-56.90000112.2H520 I522 G528 I679H520-S524 PolarHBondContact ND1-OG 3.35Å; H520-S524 VanDerWaalsContact O-CB 3.31Å; H520-S524 WeakPolarHBondContact O-CB 3.39Å; H520-S524 PolarHBondContact O-N 3.13Å; H520-S524 PolarHBondContact O-OG 3.21Å; I522-S524 VanDerWaalsContact C-N 3.33Å; I522-S524 PolarHBondContact O-N 3.39Å; S524-G528 WeakPolarHBondContact O-CA 3.4Å; S524-G528 PolarHBondContact O-N 3.35Å; S524-I679 WeakPolarHBondContact OG-CG2 3.45Å
525L88.3Confident82.7Confident10 Ų1037.2 Ų37.25%0.05218%0.184CC..Hα-helixtrans-65.4-51.2173.4-17653.2000111.6L154 G521 I522 L523 G528 A529 S680 L782L154-L525 HydrophobicContact CD2-CD2 3.86Å; L154-L525 HydrophobicContact CD2-CG 4.44Å; G521-L525 PolarHBondContact O-N 3.21Å; I522-L525 WeakPolarHBondContact O-CB 3.3Å; I522-L525 PolarHBondContact O-N 3.08Å; L523-L525 VanDerWaalsContact C-N 3.32Å; L523-L525 PolarHBondContact O-N 3.3Å; L525-G528 PolarHBondContact O-N 3.29Å; L525-A529 PolarHBondContact O-N 2.77Å; L525-S680 WeakPolarHBondContact CB-OG 3.41Å; L525-L782 HydrophobicContact CD2-CB 4.49Å
526I88Confident81.9Confident1 Ų141.7 Ų41.71%0.00521%0.209CC..Hα-helixtrans-63-50.3-177.7-65.2168000110.4I140 L154 I522 L523 A529 N530 L791 P792 V794I140-I526 HydrophobicContact CG2-CD1 4.08Å; L154-I526 HydrophobicContact CD1-CD1 4.29Å; L154-I526 HydrophobicContact CD1-CG1 3.93Å; L154-I526 HydrophobicContact CD2-CD1 4.36Å; L154-I526 HydrophobicContact CD2-CG1 4.04Å; I522-I526 HydrophobicContact CG2-CD1 4.01Å; I522-I526 WeakPolarHBondContact O-CG1 3.22Å; I522-I526 PolarHBondContact O-N 2.8Å; L523-I526 PolarHBondContact O-N 2.69Å; I526-A529 PolarHBondContact O-N 3.41Å; I526-N530 PolarHBondContact O-N 2.67Å; I526-L791 HydrophobicContact CG2-CB 4.21Å; I526-L791 HydrophobicContact CG2-CD1 4.5Å; I526-L791 HydrophobicContact CG2-CD2 4.46Å; I526-P792 HydrophobicContact CG2-CG 4.41Å; I526-P792 WeakPolarHBondContact CG2-O 3.31Å; I526-V794 HydrophobicContact CB-CG2 3.9Å; I526-V794 HydrophobicContact CG2-CB 4.49Å; I526-V794 HydrophobicContact CG2-CG1 3.96Å; I526-V794 HydrophobicContact CG2-CG2 3.68Å
527H86.6Confident81.2Confident37 Ų3747.7 Ų47.717%0.17123%0.232CC..Hα-helixtrans-67.4-37.9178.8-167.759.1000112.1L523 A529 N530 L531 D793 V794 L798L523-H527 WeakPolarHBondContact O-CB 3.28Å; L523-H527 PolarHBondContact O-N 2.98Å; H527-A529 VanDerWaalsContact C-N 3.28Å; H527-A529 PolarHBondContact O-N 3.17Å; H527-N530 PolarHBondContact O-N 3.49Å; H527-L531 WeakPolarHBondContact O-CG 3.26Å; H527-L531 PolarHBondContact O-N 2.6Å; H527-D793 IonicContact ND1-OD1 3.66Å; H527-V794 HydrophobicContact CB-CG2 4.07Å; H527-L798 HydrophobicContact CB-CD2 4.03Å
528G82.8Confident80.7Confident1 Ų148 Ų481%0.0123%0.232CC..Hα-helixtrans-68.9-18.9176.100000114.9S524 L525 Q677S524-G528 WeakPolarHBondContact O-CA 3.4Å; S524-G528 PolarHBondContact O-N 3.35Å; L525-G528 PolarHBondContact O-N 3.29Å; G528-Q677 PolarHBondContact O-NE2 3.3Å
529A80.5Confident80.3Confident16 Ų1653.3 Ų53.313%0.13225%0.253CS..Hα-helixtrans-77.5-46.6168.800000111.2L525 I526 H527 L531 R532 L791L525-A529 PolarHBondContact O-N 2.77Å; I526-A529 PolarHBondContact O-N 3.41Å; H527-A529 VanDerWaalsContact C-N 3.28Å; H527-A529 PolarHBondContact O-N 3.17Å; A529-L531 PolarHBondContact O-N 3.31Å; A529-R532 VanDerWaalsContact O-CB 3.29Å; A529-R532 WeakPolarHBondContact O-CB 3.46Å; A529-R532 WeakPolarHBondContact O-CD 3.49Å; A529-R532 WeakPolarHBondContact O-CG 3.27Å; A529-R532 PolarHBondContact O-N 3Å; A529-L791 HydrophobicContact CB-CD1 3.54Å
530N77.6Confident80Confident66 Ų6658.4 Ų58.435%0.35328%0.276SS..Hα-helixtrans-64.8-19.6-177.3-81.6-10.7000115.1I526 H527 L791 P792I526-N530 PolarHBondContact O-N 2.67Å; H527-N530 PolarHBondContact O-N 3.49Å; N530-L791 PolarHBondContact ND2-O 3.45Å; N530-P792 PolarHBondContact ND2-O 3.08Å
531L74.9Confident79.6Confident112 Ų11258.3 Ų58.359%0.58628%0.276SS*.THydrogen-bonded Turntrans-89.34.4178.4-65.9174.4000114.5H527 A529 L676H527-L531 WeakPolarHBondContact O-CG 3.26Å; H527-L531 PolarHBondContact O-N 2.6Å; A529-L531 PolarHBondContact O-N 3.31Å; L531-L676 HydrophobicContact CD1-CD1 3.8Å
532R66.3Low79.4Confident54 Ų5459.4 Ų59.420%0.20428%0.28CS..  trans-69.8147.7-168.5-80.8175.2158.9-107.1-23.7115.8A529 S783 L784 T786 D787A529-R532 VanDerWaalsContact O-CB 3.29Å; A529-R532 WeakPolarHBondContact O-CB 3.46Å; A529-R532 WeakPolarHBondContact O-CD 3.49Å; A529-R532 WeakPolarHBondContact O-CG 3.27Å; A529-R532 PolarHBondContact O-N 3Å; R532-S783 PolarHBondContact NH2-O 3.09Å; R532-S783 VanDerWaalsContact NH2-O 3.08Å; R532-L784 PolarHBondContact NH1-O 3.38Å; R532-L784 PolarHBondContact NH2-O 2.84Å; R532-T786 WeakPolarHBondContact CD-O 3.29Å; R532-T786 PolarHBondContact NE-O 2.96Å; R532-T786 PolarHBondContact NH1-O 3Å; R532-D787 IonicContact NH1-OD1 3.83Å; R532-D787 PolarHBondContact NH1-OD1 2.6Å
533K59.8Low79.3Confident184 Ų18461.8 Ų61.880%0.830%0.3SS*.  trans-138.2148.8151.5-63.2-179.9-176.71740106.8D535K533-D535 PolarHBondContact O-N 3.3Å
534E58.3Low79.2Confident173 Ų17362.8 Ų62.881%0.80831%0.309SS*.  trans-63.4121.2172.5-72-169.791.600110.4
535D68Low79.2Confident71 Ų7162.9 Ų62.938%0.3831%0.309SS..  trans-132.3137.4169-172.5-27.5000107.7K533 R537 I538K533-D535 PolarHBondContact O-N 3.3Å; D535-R537 HydrophobicContact CB-CB 4.45Å; D535-R537 PolarHBondContact O-N 2.88Å; D535-R537 VanDerWaalsContact O-N 3.13Å; D535-R537 WeakPolarHBondContact OD1-CG 3.32Å; D535-R537 PolarHBondContact OD1-N 3.5Å; D535-R537 IonicContact OD1-NE 2.77Å; D535-R537 WeakPolarHBondContact OD2-CD 3.45Å; D535-R537 IonicContact OD2-CZ 3.12Å; D535-R537 IonicContact OD2-NE 2.69Å; D535-R537 PolarHBondContact OD2-NE 3.34Å; D535-I538 WeakPolarHBondContact O-CB 3.33Å; D535-I538 PolarHBondContact O-N 3.47Å
536D72.6Confident79.3Confident109 Ų10965.7 Ų65.758%0.58332%0.322SS*.Hα-helixtrans-58.3-22.4175.3-73-44.9000112.7I538 K539 E540D536-I538 PolarHBondContact O-N 2.92Å; D536-K539 WeakPolarHBondContact O-CA 3.42Å; D536-K539 VanDerWaalsContact O-CB 3.3Å; D536-K539 WeakPolarHBondContact O-CB 3.22Å; D536-K539 PolarHBondContact O-N 2.95Å; D536-K539 WeakPolarHBondContact OD1-CD 3.35Å; D536-K539 WeakPolarHBondContact OD1-CE 3.21Å; D536-K539 IonicContact OD1-NZ 3.15Å; D536-K539 PolarHBondContact OD1-NZ 3.36Å; D536-E540 PolarHBondContact O-N 3.29Å; D536-E540 VanDerWaalsContact O-N 3.17Å
537R75.6Confident79.4Confident127 Ų12772.3 Ų72.348%0.47935%0.351SS..Hα-helixtrans-52.5-39.7168.5-68.2178-146-129.3-8.9113.4D535 K539 E540 V541 D673D535-R537 HydrophobicContact CB-CB 4.45Å; D535-R537 PolarHBondContact O-N 2.88Å; D535-R537 VanDerWaalsContact O-N 3.13Å; D535-R537 WeakPolarHBondContact OD1-CG 3.32Å; D535-R537 PolarHBondContact OD1-N 3.5Å; D535-R537 IonicContact OD1-NE 2.77Å; D535-R537 WeakPolarHBondContact OD2-CD 3.45Å; D535-R537 IonicContact OD2-CZ 3.12Å; D535-R537 IonicContact OD2-NE 2.69Å; D535-R537 PolarHBondContact OD2-NE 3.34Å; R537-K539 PolarHBondContact O-N 3.19Å; R537-E540 WeakPolarHBondContact O-CA 3.49Å; R537-E540 WeakPolarHBondContact O-CB 3.45Å; R537-E540 PolarHBondContact O-N 3.4Å; R537-V541 VanDerWaalsContact O-CG2 3.29Å; R537-V541 WeakPolarHBondContact O-CG2 3.5Å; R537-V541 PolarHBondContact O-N 3.19Å; R537-D673 WeakPolarHBondContact CD-OD2 3.29Å; R537-D673 IonicContact CZ-OD2 2.89Å; R537-D673 IonicContact NE-OD2 2.65Å; R537-D673 IonicContact NH1-OD2 3.89Å; R537-D673 PolarHBondContact NH1-OD2 3.07Å
538I77.4Confident79.6Confident25 Ų2572.1 Ų72.113%0.12835%0.351CS..Hα-helixtrans-61.9-32.9-179-62.1178000109.8D535 D536 V541 F542 V674 L784D535-I538 WeakPolarHBondContact O-CB 3.33Å; D535-I538 PolarHBondContact O-N 3.47Å; D536-I538 PolarHBondContact O-N 2.92Å; I538-V541 PolarHBondContact O-N 3.36Å; I538-F542 WeakPolarHBondContact O-CB 3.26Å; I538-F542 PolarHBondContact O-N 2.74Å; I538-V674 HydrophobicContact CG1-CG1 4.41Å; I538-L784 HydrophobicContact CG2-CB 4.16Å; I538-L784 HydrophobicContact CG2-CD2 4.27Å; I538-L784 VanDerWaalsContact CG2-O 3.25Å; I538-L784 WeakPolarHBondContact CG2-O 3.41Å
539K82.4Confident80.1Confident120 Ų12072.2 Ų72.252%0.52235%0.351SS..Hα-helixtrans-72.3-38.5175.4-51.9168.2-168162.90111.2D536 R537 A543D536-K539 WeakPolarHBondContact O-CA 3.42Å; D536-K539 VanDerWaalsContact O-CB 3.3Å; D536-K539 WeakPolarHBondContact O-CB 3.22Å; D536-K539 PolarHBondContact O-N 2.95Å; D536-K539 WeakPolarHBondContact OD1-CD 3.35Å; D536-K539 WeakPolarHBondContact OD1-CE 3.21Å; D536-K539 IonicContact OD1-NZ 3.15Å; D536-K539 PolarHBondContact OD1-NZ 3.36Å; R537-K539 PolarHBondContact O-N 3.19Å; K539-A543 WeakPolarHBondContact O-CB 3.44Å; K539-A543 PolarHBondContact O-N 3.34Å
540E85.3Confident80.6Confident106 Ų10675.7 Ų75.750%0.49537%0.371SS..Hα-helixtrans-62.5-43170.7-66.8-162.4178.600112.6D536 R537 A544 K670 Y671D536-E540 PolarHBondContact O-N 3.29Å; D536-E540 VanDerWaalsContact O-N 3.17Å; R537-E540 WeakPolarHBondContact O-CA 3.49Å; R537-E540 WeakPolarHBondContact O-CB 3.45Å; R537-E540 PolarHBondContact O-N 3.4Å; E540-A544 WeakPolarHBondContact O-CB 3.4Å; E540-A544 PolarHBondContact O-N 3.13Å; E540-K670 IonicContact OE2-NZ 3.8Å; E540-K670 PolarHBondContact OE2-NZ 2.53Å; E540-Y671 HydrophobicContact CB-CE1 4.5Å; E540-Y671 WeakPolarHBondContact CB-OH 3.34Å; E540-Y671 PolarHBondContact OE2-OH 3.16Å
541V85.6Confident81.2Confident2 Ų277.4 Ų77.41%0.01238%0.38CS..Hα-helixtrans-63.5-48.2177.9178.10000109.9R537 I538 A543 A544 L545 Y671 V674 L678 L784R537-V541 VanDerWaalsContact O-CG2 3.29Å; R537-V541 WeakPolarHBondContact O-CG2 3.5Å; R537-V541 PolarHBondContact O-N 3.19Å; I538-V541 PolarHBondContact O-N 3.36Å; V541-A543 PolarHBondContact O-N 2.87Å; V541-A544 PolarHBondContact O-N 2.8Å; V541-L545 HydrophobicContact CG1-CD1 4.14Å; V541-L545 HydrophobicContact CG1-CG 4.45Å; V541-L545 WeakPolarHBondContact O-CG 3.34Å; V541-L545 PolarHBondContact O-N 3.28Å; V541-Y671 HydrophobicContact CB-CE2 4.44Å; V541-Y671 HydrophobicContact CG2-CD1 3.57Å; V541-Y671 HydrophobicContact CG2-CD2 3.73Å; V541-Y671 HydrophobicContact CG2-CE1 3.66Å; V541-Y671 HydrophobicContact CG2-CE2 3.78Å; V541-Y671 HydrophobicContact CG2-CG 3.58Å; V541-V674 HydrophobicContact CG1-CG2 4.35Å; V541-V674 HydrophobicContact CG2-CG2 3.96Å; V541-L678 HydrophobicContact CG1-CD2 4Å; V541-L784 HydrophobicContact CB-CD1 4.38Å; V541-L784 HydrophobicContact CG1-CD1 3.85Å; V541-L784 HydrophobicContact CG1-CD2 4.31Å
542F85.9Confident82Confident27 Ų2774.9 Ų74.912%0.11837%0.365CS..Hα-helixtrans-56.2-52.6178.3-176.6-95.1000111.7I538 A544 L545 E546 I780 E781 L784 K785I538-F542 WeakPolarHBondContact O-CB 3.26Å; I538-F542 PolarHBondContact O-N 2.74Å; F542-A544 VanDerWaalsContact C-N 3.28Å; F542-A544 PolarHBondContact O-N 3.05Å; F542-L545 PolarHBondContact O-N 3.22Å; F542-E546 HydrophobicContact CD1-CG 4.3Å; F542-E546 HydrophobicContact CE1-CG 3.75Å; F542-E546 WeakPolarHBondContact CE1-OE2 3.46Å; F542-E546 HydrophobicContact CE2-CG 4.33Å; F542-E546 HydrophobicContact CZ-CG 3.73Å; F542-E546 WeakPolarHBondContact CZ-OE1 2.93Å; F542-E546 PolarHBondContact O-N 3.11Å; F542-I780 HydrophobicContact CD2-CG2 3.58Å; F542-I780 HydrophobicContact CE2-CG2 3.62Å; F542-E781 HydrophobicContact CE2-CG 3.71Å; F542-E781 HydrophobicContact CZ-CG 4.01Å; F542-L784 HydrophobicContact CB-CD1 3.88Å; F542-L784 HydrophobicContact CD2-CB 4.04Å; F542-L784 HydrophobicContact CD2-CD1 4.05Å; F542-L784 HydrophobicContact CG-CD1 4.49Å; F542-K785 HydrophobicContact CE2-CD 4.33Å; F542-K785 VanDerWaalsContact CE2-CE 3.43Å; F542-K785 HydrophobicContact CE2-CG 4.48Å; F542-K785 VanDerWaalsContact CZ-NZ 3.3Å
543A88.6Confident83.1Confident56 Ų5672.8 Ų72.846%0.46336%0.358SS..Hα-helixtrans-63.1-31.8179.100000113.1K539 V541 K547K539-A543 WeakPolarHBondContact O-CB 3.44Å; K539-A543 PolarHBondContact O-N 3.34Å; V541-A543 PolarHBondContact O-N 2.87Å; A543-K547 VanDerWaalsContact O-CB 3.22Å; A543-K547 WeakPolarHBondContact O-CB 3.46Å; A543-K547 PolarHBondContact O-N 2.98Å
544A88.9Confident84.7Confident22 Ų2270.4 Ų70.418%0.18235%0.348CS..Hα-helixtrans-69.5-42.1174.300000112.3E540 V541 F542 N548 L667E540-A544 WeakPolarHBondContact O-CB 3.4Å; E540-A544 PolarHBondContact O-N 3.13Å; V541-A544 PolarHBondContact O-N 2.8Å; F542-A544 VanDerWaalsContact C-N 3.28Å; F542-A544 PolarHBondContact O-N 3.05Å; A544-N548 PolarHBondContact O-N 2.8Å; A544-L667 HydrophobicContact CB-CD2 3.89Å
545L89.4Confident86.2Confident2 Ų264.9 Ų64.91%0.0133%0.328CS..Hα-helixtrans-69.6-43.2178.5-66.2179.5000112.3V541 F542 K547 N548 L549 L663 L667 L678 I780 L784V541-L545 HydrophobicContact CG1-CD1 4.14Å; V541-L545 HydrophobicContact CG1-CG 4.45Å; V541-L545 WeakPolarHBondContact O-CG 3.34Å; V541-L545 PolarHBondContact O-N 3.28Å; F542-L545 PolarHBondContact O-N 3.22Å; L545-K547 VanDerWaalsContact C-N 3.33Å; L545-K547 PolarHBondContact O-N 3.32Å; L545-N548 PolarHBondContact O-N 3.23Å; L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 PolarHBondContact O-N 2.96Å; L545-L663 HydrophobicContact CD2-CD2 3.68Å; L545-L663 HydrophobicContact CD2-CG 4.34Å; L545-L667 HydrophobicContact CD2-CD1 4.07Å; L545-L678 HydrophobicContact CD1-CD2 4.3Å; L545-I780 HydrophobicContact CB-CD1 3.99Å; L545-I780 HydrophobicContact CB-CG1 4.2Å; L545-I780 HydrophobicContact CB-CG2 4.06Å; L545-I780 HydrophobicContact CD1-CG1 4.33Å; L545-I780 HydrophobicContact CD1-CG2 4.14Å; L545-L784 HydrophobicContact CD1-CD1 3.93Å
546E90.3Very high87.3Confident68 Ų6861.7 Ų61.732%0.31831%0.311SS..Hα-helixtrans-60.7-41.7174.5-75.2-160.2130.200112.3F542 L549 T550F542-E546 HydrophobicContact CD1-CG 4.3Å; F542-E546 HydrophobicContact CE1-CG 3.75Å; F542-E546 WeakPolarHBondContact CE1-OE2 3.46Å; F542-E546 HydrophobicContact CE2-CG 4.33Å; F542-E546 HydrophobicContact CZ-CG 3.73Å; F542-E546 WeakPolarHBondContact CZ-OE1 2.93Å; F542-E546 PolarHBondContact O-N 3.11Å; E546-L549 PolarHBondContact O-N 3.04Å; E546-T550 WeakPolarHBondContact O-CB 3.34Å; E546-T550 PolarHBondContact O-N 3.39Å; E546-T550 PolarHBondContact O-OG1 3.06Å
547K91Very high88.2Confident140 Ų14062 Ų6261%0.60931%0.307SS*.Hα-helixtrans-61.9-43.5175.8-178.8-178.6176.6-174.60111.3A543 L545 T550 L551A543-K547 VanDerWaalsContact O-CB 3.22Å; A543-K547 WeakPolarHBondContact O-CB 3.46Å; A543-K547 PolarHBondContact O-N 2.98Å; L545-K547 VanDerWaalsContact C-N 3.33Å; L545-K547 PolarHBondContact O-N 3.32Å; K547-T550 PolarHBondContact O-N 3.01Å; K547-L551 HydrophobicContact CG-CD1 4.22Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.35Å
548N90.4Very high89Confident33 Ų3360.1 Ų60.118%0.17631%0.307CS..Hα-helixtrans-65.7-45.3175.9-804000111.9A544 L545 T550 L551 Q552 I662 L667A544-N548 PolarHBondContact O-N 2.8Å; L545-N548 PolarHBondContact O-N 3.23Å; N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 3.36Å; N548-L551 PolarHBondContact O-N 3.16Å; N548-Q552 WeakPolarHBondContact O-CG 3.46Å; N548-Q552 PolarHBondContact O-N 3.06Å; N548-I662 HydrophobicContact CB-CB 4.21Å; N548-I662 PolarHBondContact ND2-O 2.58Å; N548-L667 VanDerWaalsContact ND2-CD1 3.3Å; N548-L667 WeakPolarHBondContact ND2-CD1 3.48Å
549L92.4Very high89.6Confident4 Ų462 Ų622%0.02132%0.315CS..Hα-helixtrans-56.5-44.8175.2179.359.1000111.4L545 E546 L551 Q552 T553 I662 L772 M776 R777 I780L545-L549 WeakPolarHBondContact O-CB 3.38Å; L545-L549 PolarHBondContact O-N 2.96Å; E546-L549 PolarHBondContact O-N 3.04Å; L549-L551 PolarHBondContact O-N 3.17Å; L549-Q552 PolarHBondContact O-N 3.05Å; L549-T553 VanDerWaalsContact O-CB 3.26Å; L549-T553 WeakPolarHBondContact O-CB 3.37Å; L549-T553 PolarHBondContact O-N 2.73Å; L549-T553 PolarHBondContact O-OG1 3.33Å; L549-I662 HydrophobicContact CB-CG2 4.01Å; L549-I662 HydrophobicContact CD1-CG2 4.13Å; L549-L772 HydrophobicContact CD1-CD2 3.85Å; L549-M776 HydrophobicContact CD1-CB 3.66Å; L549-M776 HydrophobicContact CD1-CG 4.18Å; L549-M776 HydrophobicContact CD2-CB 3.85Å; L549-M776 HydrophobicContact CG-CB 4.41Å; L549-R777 HydrophobicContact CD2-CB 4.33Å; L549-I780 HydrophobicContact CD2-CD1 3.98Å
550T92.1Very high90Very high89 Ų8956.5 Ų56.555%0.54629%0.291SS..Hα-helixtrans-62-43.7176.8-56.10000111.9E546 K547 N548 K554E546-T550 WeakPolarHBondContact O-CB 3.34Å; E546-T550 PolarHBondContact O-N 3.39Å; E546-T550 PolarHBondContact O-OG1 3.06Å; K547-T550 PolarHBondContact O-N 3.01Å; N548-T550 VanDerWaalsContact C-N 3.3Å; N548-T550 PolarHBondContact O-N 3.36Å; T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.29Å; T550-K554 PolarHBondContact O-N 3.02Å; T550-K554 VanDerWaalsContact O-N 3.09Å
551L90.9Very high90.4Very high102 Ų10254.9 Ų54.953%0.53429%0.285SS..Hα-helixtrans-67.4-44.3178.6-72.7169.3000112.2K547 N548 L549 K554 S555K547-L551 HydrophobicContact CG-CD1 4.22Å; K547-L551 VanDerWaalsContact O-CG 3.29Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.35Å; N548-L551 PolarHBondContact O-N 3.16Å; L549-L551 PolarHBondContact O-N 3.17Å; L551-K554 PolarHBondContact O-N 3.38Å; L551-S555 PolarHBondContact O-N 2.94Å
552Q90.1Very high90.7Very high59 Ų5960.3 Ų60.328%0.27631%0.308SS..Hα-helixtrans-65.3-49.5177.7-66.9-64.14.400111.3N548 L549 K554 S555 I556 F660 S661 I662N548-Q552 WeakPolarHBondContact O-CG 3.46Å; N548-Q552 PolarHBondContact O-N 3.06Å; L549-Q552 PolarHBondContact O-N 3.05Å; Q552-K554 VanDerWaalsContact C-N 3.27Å; Q552-K554 PolarHBondContact O-N 2.68Å; Q552-S555 WeakPolarHBondContact O-CA 3.42Å; Q552-S555 VanDerWaalsContact O-CB 3.27Å; Q552-S555 WeakPolarHBondContact O-CB 3.43Å; Q552-S555 PolarHBondContact O-N 3.34Å; Q552-I556 VanDerWaalsContact O-CG1 3.29Å; Q552-I556 WeakPolarHBondContact O-CG1 3.49Å; Q552-I556 PolarHBondContact O-N 3.28Å; Q552-F660 HydrophobicContact CB-CB 4.48Å; Q552-S661 WeakPolarHBondContact CG-O 3.22Å; Q552-S661 PolarHBondContact NE2-O 2.9Å; Q552-I662 HydrophobicContact CG-CG2 4.39Å
553T91.1Very high90.9Very high10 Ų1060 Ų606%0.06131%0.307CS..Hα-helixtrans-58-39.9178.7-53.20000111.5L549 K557 L769 L772 E773L549-T553 VanDerWaalsContact O-CB 3.26Å; L549-T553 WeakPolarHBondContact O-CB 3.37Å; L549-T553 PolarHBondContact O-N 2.73Å; L549-T553 PolarHBondContact O-OG1 3.33Å; T553-K557 WeakPolarHBondContact O-CB 3.37Å; T553-K557 PolarHBondContact O-N 2.85Å; T553-L769 HydrophobicContact CG2-CD2 3.92Å; T553-L772 WeakPolarHBondContact OG1-CD2 3.34Å; T553-E773 HydrophobicContact CG2-CB 4.47Å
554K91.6Very high91.2Very high134 Ų13459 Ų5958%0.58329%0.292SS*.Hα-helixtrans-64.7-39.1172.8-174.2175.4-178.1177.10112.8T550 L551 Q552 N558T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.29Å; T550-K554 PolarHBondContact O-N 3.02Å; T550-K554 VanDerWaalsContact O-N 3.09Å; L551-K554 PolarHBondContact O-N 3.38Å; Q552-K554 VanDerWaalsContact C-N 3.27Å; Q552-K554 PolarHBondContact O-N 2.68Å; K554-N558 PolarHBondContact O-N 3.47Å; K554-N558 PolarHBondContact O-ND2 3.35Å
555S90.7Very high91.5Very high57 Ų5764 Ų6440%0.39931%0.31SS..Hα-helixtrans-63.2-50.7175.2-164.30000111.5L551 Q552 K557 N558 E559L551-S555 PolarHBondContact O-N 2.94Å; Q552-S555 WeakPolarHBondContact O-CA 3.42Å; Q552-S555 VanDerWaalsContact O-CB 3.27Å; Q552-S555 WeakPolarHBondContact O-CB 3.43Å; Q552-S555 PolarHBondContact O-N 3.34Å; S555-K557 VanDerWaalsContact C-N 3.34Å; S555-K557 PolarHBondContact O-N 3.02Å; S555-N558 WeakPolarHBondContact O-CB 3.42Å; S555-N558 PolarHBondContact O-N 2.91Å; S555-N558 VanDerWaalsContact O-N 3.11Å; S555-E559 PolarHBondContact O-N 2.9Å; S555-E559 VanDerWaalsContact O-N 3.14Å
556I90.6Very high91.8Very high3 Ų366.3 Ų66.32%0.01532%0.324CS..Hα-helixtrans-55.5-48.5176.8-62.8168.1000110.5Q552 N558 E559 M560 V656 F660 L769 L772Q552-I556 VanDerWaalsContact O-CG1 3.29Å; Q552-I556 WeakPolarHBondContact O-CG1 3.49Å; Q552-I556 PolarHBondContact O-N 3.28Å; I556-N558 VanDerWaalsContact C-N 3.33Å; I556-N558 PolarHBondContact O-N 3.38Å; I556-E559 PolarHBondContact O-N 3.03Å; I556-M560 HydrophobicContact CG2-CE 3.49Å; I556-M560 VanDerWaalsContact CG2-CE 3.49Å; I556-M560 HydrophobicContact CG2-SD 4Å; I556-M560 WeakPolarHBondContact O-CG 3.44Å; I556-M560 PolarHBondContact O-N 3.31Å; I556-V656 HydrophobicContact CB-CG1 3.91Å; I556-V656 HydrophobicContact CG1-CG1 3.7Å; I556-V656 HydrophobicContact CG2-CG1 3.77Å; I556-F660 HydrophobicContact CD1-CB 3.79Å; I556-F660 HydrophobicContact CD1-CD1 4.15Å; I556-F660 HydrophobicContact CD1-CG 4.06Å; I556-F660 HydrophobicContact CG1-CB 4.41Å; I556-L769 HydrophobicContact CB-CD2 4.05Å; I556-L769 HydrophobicContact CG2-CD2 3.67Å; I556-L772 HydrophobicContact CD1-CD1 3.45Å; I556-L772 VanDerWaalsContact CD1-CD1 3.45Å; I556-L772 HydrophobicContact CD1-CD2 4.35Å
557K92.8Very high92.1Very high117 Ų11763.1 Ų63.151%0.50931%0.309SS..Hα-helixtrans-59.5-41177.6-174.3168.5-173164.80112.4T553 S555 M560 M561 L769T553-K557 WeakPolarHBondContact O-CB 3.37Å; T553-K557 PolarHBondContact O-N 2.85Å; S555-K557 VanDerWaalsContact C-N 3.34Å; S555-K557 PolarHBondContact O-N 3.02Å; K557-M560 PolarHBondContact O-N 3.07Å; K557-M561 HydrophobicContact CG-CG 4.47Å; K557-M561 WeakPolarHBondContact O-CB 3.35Å; K557-M561 VanDerWaalsContact O-CG 3.28Å; K557-M561 WeakPolarHBondContact O-CG 3.34Å; K557-M561 PolarHBondContact O-N 2.9Å; K557-L769 HydrophobicContact CB-CD1 3.79Å; K557-L769 HydrophobicContact CB-CD2 4.01Å; K557-L769 HydrophobicContact CD-CD1 4.04Å; K557-L769 HydrophobicContact CG-CD1 3.77Å
558N91.4Very high92.4Very high87 Ų8760.6 Ų60.647%0.46530%0.3SS..Hα-helixtrans-63.9-42178.3-71.7-25.3000112.3K554 S555 I556 M561 K562K554-N558 PolarHBondContact O-N 3.47Å; K554-N558 PolarHBondContact O-ND2 3.35Å; S555-N558 WeakPolarHBondContact O-CB 3.42Å; S555-N558 PolarHBondContact O-N 2.91Å; S555-N558 VanDerWaalsContact O-N 3.11Å; I556-N558 VanDerWaalsContact C-N 3.33Å; I556-N558 PolarHBondContact O-N 3.38Å; N558-M561 PolarHBondContact O-N 3.14Å; N558-K562 WeakPolarHBondContact O-CG 3.23Å; N558-K562 PolarHBondContact O-N 2.83Å
559E90.3Very high92.7Very high65 Ų6564.3 Ų64.330%0.30432%0.316SS..Hα-helixtrans-68.5-43.1176.6-61.2-49.9133.400111.9S555 I556 M561 K562 I563 V656S555-E559 PolarHBondContact O-N 2.9Å; S555-E559 VanDerWaalsContact O-N 3.14Å; I556-E559 PolarHBondContact O-N 3.03Å; E559-M561 VanDerWaalsContact C-N 3.31Å; E559-M561 PolarHBondContact O-N 2.81Å; E559-K562 WeakPolarHBondContact O-CB 3.33Å; E559-K562 PolarHBondContact O-N 2.9Å; E559-K562 VanDerWaalsContact O-N 3.08Å; E559-K562 WeakPolarHBondContact OE1-CE 3.44Å; E559-K562 IonicContact OE1-NZ 2.67Å; E559-K562 PolarHBondContact OE1-NZ 3.25Å; E559-K562 WeakPolarHBondContact OE2-CD 3.46Å; E559-K562 WeakPolarHBondContact OE2-CE 3.41Å; E559-K562 IonicContact OE2-NZ 2.92Å; E559-K562 PolarHBondContact OE2-NZ 3.39Å; E559-I563 WeakPolarHBondContact O-CG1 3.44Å; E559-I563 PolarHBondContact O-N 2.9Å; E559-I563 VanDerWaalsContact O-N 3.14Å; E559-V656 HydrophobicContact CB-CG2 3.91Å; E559-V656 HydrophobicContact CG-CG2 4.04Å
560M91Very high92.9Very high4 Ų468.5 Ų68.52%0.0233%0.332CS..Hα-helixtrans-56.2-44.1173.4-74.4179-178.100112I556 K557 K562 I563 F564 F653 M765 V768 L769I556-M560 HydrophobicContact CG2-CE 3.49Å; I556-M560 VanDerWaalsContact CG2-CE 3.49Å; I556-M560 HydrophobicContact CG2-SD 4Å; I556-M560 WeakPolarHBondContact O-CG 3.44Å; I556-M560 PolarHBondContact O-N 3.31Å; K557-M560 PolarHBondContact O-N 3.07Å; M560-K562 VanDerWaalsContact C-N 3.29Å; M560-K562 PolarHBondContact O-N 3.22Å; M560-I563 WeakPolarHBondContact O-CB 3.4Å; M560-I563 PolarHBondContact O-N 3.37Å; M560-I563 VanDerWaalsContact O-N 3.15Å; M560-F564 PolarHBondContact O-N 3.08Å; M560-F653 HydrophobicContact CE-CD1 3.86Å; M560-F653 HydrophobicContact CE-CE1 3.8Å; M560-F653 HydrophobicContact CG-CE1 4.04Å; M560-F653 HydrophobicContact CG-CZ 4.21Å; M560-F653 HydrophobicContact SD-CE1 4.15Å; M560-M765 HydrophobicContact CB-CB 4.45Å; M560-M765 HydrophobicContact CB-CE 4.25Å; M560-M765 HydrophobicContact CB-CG 3.97Å; M560-M765 HydrophobicContact CB-SD 3.89Å; M560-M765 HydrophobicContact CG-CG 4.19Å; M560-M765 WeakPolarHBondContact O-CE 3.4Å; M560-M765 HydrophobicContact SD-CB 3.96Å; M560-M765 HydrophobicContact SD-CG 4.04Å; M560-V768 HydrophobicContact CE-CB 4.29Å; M560-V768 HydrophobicContact CE-CG1 3.64Å; M560-L769 HydrophobicContact SD-CD1 4.21Å; M560-L769 HydrophobicContact SD-CD2 4.37Å; M560-L769 HydrophobicContact SD-CG 4.02Å
561M92.7Very high93.2Very high72 Ų7264.3 Ų64.336%0.35531%0.306SS..Hα-helixtrans-67.6-22.2177.1-71.4-54.1-53.200114.4K557 N558 E559 F564 K565K557-M561 HydrophobicContact CG-CG 4.47Å; K557-M561 WeakPolarHBondContact O-CB 3.35Å; K557-M561 VanDerWaalsContact O-CG 3.28Å; K557-M561 WeakPolarHBondContact O-CG 3.34Å; K557-M561 PolarHBondContact O-N 2.9Å; N558-M561 PolarHBondContact O-N 3.14Å; E559-M561 VanDerWaalsContact C-N 3.31Å; E559-M561 PolarHBondContact O-N 2.81Å; M561-F564 HydrophobicContact CE-CD1 4.46Å; M561-K565 WeakPolarHBondContact O-CG 3.49Å
562K92.6Very high93.5Very high116 Ų11662.3 Ų62.350%0.50429%0.294SS..Hα-helixtrans-70.9-48.7168.2-64.8175.9-158.2166.50110.2N558 E559 M560 F564 K565 V566N558-K562 WeakPolarHBondContact O-CG 3.23Å; N558-K562 PolarHBondContact O-N 2.83Å; E559-K562 WeakPolarHBondContact O-CB 3.33Å; E559-K562 PolarHBondContact O-N 2.9Å; E559-K562 VanDerWaalsContact O-N 3.08Å; E559-K562 WeakPolarHBondContact OE1-CE 3.44Å; E559-K562 IonicContact OE1-NZ 2.67Å; E559-K562 PolarHBondContact OE1-NZ 3.25Å; E559-K562 WeakPolarHBondContact OE2-CD 3.46Å; E559-K562 WeakPolarHBondContact OE2-CE 3.41Å; E559-K562 IonicContact OE2-NZ 2.92Å; E559-K562 PolarHBondContact OE2-NZ 3.39Å; M560-K562 VanDerWaalsContact C-N 3.29Å; M560-K562 PolarHBondContact O-N 3.22Å; K562-F564 VanDerWaalsContact C-N 3.3Å; K562-F564 PolarHBondContact O-N 2.89Å; K562-K565 PolarHBondContact O-N 2.92Å; K562-V566 PolarHBondContact O-N 3.31Å
563I90.6Very high93.8Very high21 Ų2164.5 Ų64.511%0.10830%0.302CS..Hα-helixtrans-58.9-43.4-179.8-60.9163000110.3E559 M560 K565 V566 F567 T643 P652 F653 M765E559-I563 WeakPolarHBondContact O-CG1 3.44Å; E559-I563 PolarHBondContact O-N 2.9Å; E559-I563 VanDerWaalsContact O-N 3.14Å; M560-I563 WeakPolarHBondContact O-CB 3.4Å; M560-I563 PolarHBondContact O-N 3.37Å; M560-I563 VanDerWaalsContact O-N 3.15Å; I563-K565 PolarHBondContact O-N 3.5Å; I563-V566 PolarHBondContact O-N 2.98Å; I563-F567 HydrophobicContact CG2-CD2 3.74Å; I563-F567 HydrophobicContact CG2-CE2 3.54Å; I563-F567 WeakPolarHBondContact O-CD2 3.37Å; I563-F567 PolarHBondContact O-N 3.47Å; I563-T643 HydrophobicContact CG2-CG2 3.8Å; I563-P652 HydrophobicContact CD1-CB 3.6Å; I563-P652 HydrophobicContact CG1-CB 4.33Å; I563-F653 HydrophobicContact CB-CE2 4.47Å; I563-F653 HydrophobicContact CD1-CD2 3.82Å; I563-F653 HydrophobicContact CD1-CE2 3.96Å; I563-F653 HydrophobicContact CG2-CE2 3.97Å; I563-M765 HydrophobicContact CB-CE 4.45Å
564F94.3Very high94.1Very high33 Ų3364 Ų6415%0.14530%0.299CS..Hα-helixtrans-51.6-51.7175.6-170.2-88.1000112.5M560 M561 K562 V566 F567 E568 M758 L761 D762 M765M560-F564 PolarHBondContact O-N 3.08Å; M561-F564 HydrophobicContact CE-CD1 4.46Å; K562-F564 VanDerWaalsContact C-N 3.3Å; K562-F564 PolarHBondContact O-N 2.89Å; F564-V566 VanDerWaalsContact C-N 3.32Å; F564-V566 PolarHBondContact O-N 3.37Å; F564-F567 PolarHBondContact O-N 2.93Å; F564-E568 PolarHBondContact O-N 2.77Å; F564-M758 HydrophobicContact CD1-CE 3.73Å; F564-M758 HydrophobicContact CD2-CE 3.66Å; F564-M758 HydrophobicContact CE1-CE 3.48Å; F564-M758 VanDerWaalsContact CE1-CE 3.48Å; F564-M758 HydrophobicContact CE2-CE 3.39Å; F564-M758 HydrophobicContact CG-CE 3.83Å; F564-M758 HydrophobicContact CZ-CB 4.44Å; F564-M758 HydrophobicContact CZ-CE 3.31Å; F564-M758 WeakPolarHBondContact O-CE 3.1Å; F564-L761 HydrophobicContact CD2-CD2 4.36Å; F564-L761 HydrophobicContact CD2-CG 4.44Å; F564-D762 HydrophobicContact CE2-CB 3.89Å; F564-M765 HydrophobicContact CB-CE 3.89Å; F564-M765 HydrophobicContact CB-SD 4.07Å; F564-M765 HydrophobicContact CD2-CE 4.24Å; F564-M765 HydrophobicContact CD2-SD 3.92Å; F564-M765 HydrophobicContact CG-SD 4.47Å
565K95.9Very high94.4Very high127 Ų12757.6 Ų57.655%0.55227%0.272SS*.Hα-helixtrans-63.3-37-179.4-69.2174.8-179.7-174.50112.5M561 K562 I563 E568 E569M561-K565 WeakPolarHBondContact O-CG 3.49Å; K562-K565 PolarHBondContact O-N 2.92Å; I563-K565 PolarHBondContact O-N 3.5Å; K565-E568 PolarHBondContact O-N 3.13Å; K565-E569 WeakPolarHBondContact O-CB 3.24Å; K565-E569 PolarHBondContact O-N 2.93Å
566V95.8Very high94.7Very high52 Ų5258.5 Ų58.532%0.31527%0.269SS..Hα-helixtrans-64.3-43.9175.1-179.20000110.5K562 I563 F564 E569 R570 E639K562-V566 PolarHBondContact O-N 3.31Å; I563-V566 PolarHBondContact O-N 2.98Å; F564-V566 VanDerWaalsContact C-N 3.32Å; F564-V566 PolarHBondContact O-N 3.37Å; V566-E569 PolarHBondContact O-N 3.05Å; V566-R570 HydrophobicContact CG1-CG 4.15Å; V566-R570 WeakPolarHBondContact O-CB 3.19Å; V566-R570 WeakPolarHBondContact O-CG 3.47Å; V566-R570 PolarHBondContact O-N 3.14Å; V566-E639 HydrophobicContact CG1-CG 3.82Å; V566-E639 VanDerWaalsContact CG1-OE2 3.26Å; V566-E639 WeakPolarHBondContact CG1-OE2 3.36Å
567F96.1Very high95Very high0 Ų065.3 Ų65.30%030%0.295CS..Hα-helixtrans-63.2-42174-80.9-72000113I563 F564 R570 L571 I636 E639 F640 T643 M757 M758 L761I563-F567 HydrophobicContact CG2-CD2 3.74Å; I563-F567 HydrophobicContact CG2-CE2 3.54Å; I563-F567 WeakPolarHBondContact O-CD2 3.37Å; I563-F567 PolarHBondContact O-N 3.47Å; F564-F567 PolarHBondContact O-N 2.93Å; F567-R570 PolarHBondContact O-N 3.34Å; F567-L571 VanDerWaalsContact O-CB 3.3Å; F567-L571 WeakPolarHBondContact O-CB 3.19Å; F567-L571 WeakPolarHBondContact O-CG 3.46Å; F567-L571 PolarHBondContact O-N 3.13Å; F567-I636 HydrophobicContact CD1-CB 4.31Å; F567-I636 HydrophobicContact CD1-CG2 4Å; F567-I636 HydrophobicContact CE1-CB 4.22Å; F567-I636 HydrophobicContact CE1-CG2 4.41Å; F567-E639 HydrophobicContact CE1-CB 4.16Å; F567-E639 HydrophobicContact CE1-CG 4.26Å; F567-E639 HydrophobicContact CE2-CG 4.47Å; F567-E639 HydrophobicContact CZ-CB 4.27Å; F567-E639 HydrophobicContact CZ-CG 4.08Å; F567-F640 HydrophobicContact CE1-CB 4.19Å; F567-F640 AromaticContact CE1-CD2 3.86Å; F567-F640 HydrophobicContact CE1-CD2 3.86Å; F567-F640 HydrophobicContact CZ-CB 4.39Å; F567-F640 HydrophobicContact CZ-CD2 4.08Å; F567-T643 HydrophobicContact CE2-CG2 4.01Å; F567-T643 WeakPolarHBondContact CE2-OG1 3.37Å; F567-T643 HydrophobicContact CZ-CG2 4.38Å; F567-M757 HydrophobicContact CD1-CE 4.17Å; F567-M757 HydrophobicContact CE1-CE 4.49Å; F567-M758 HydrophobicContact CB-CE 4.35Å; F567-M758 HydrophobicContact CB-SD 4Å; F567-L761 HydrophobicContact CB-CD2 3.94Å; F567-L761 HydrophobicContact CD2-CD2 3.77Å; F567-L761 HydrophobicContact CG-CD2 3.97Å
568E97.3Very high95.2Very high88 Ų8859.7 Ų59.741%0.41127%0.271SS..Hα-helixtrans-58.9-48.9176.9-176.8171.8-144.500111.9F564 K565 L571 Q572 M758F564-E568 PolarHBondContact O-N 2.77Å; K565-E568 PolarHBondContact O-N 3.13Å; E568-L571 PolarHBondContact O-N 3.07Å; E568-Q572 PolarHBondContact O-N 2.8Å; E568-M758 HydrophobicContact CB-CE 3.96Å; E568-M758 HydrophobicContact CB-SD 4.45Å
569E97.2Very high95.4Very high111 Ų11157.3 Ų57.352%0.51926%0.256SS..Hα-helixtrans-61-44.4175.6-86.2-163.5-132.300113.1K565 V566 K573K565-E569 WeakPolarHBondContact O-CB 3.24Å; K565-E569 PolarHBondContact O-N 2.93Å; V566-E569 PolarHBondContact O-N 3.05Å; E569-K573 WeakPolarHBondContact O-CD 3.07Å; E569-K573 WeakPolarHBondContact O-CE 3.16Å; E569-K573 VanDerWaalsContact O-CG 3.23Å; E569-K573 WeakPolarHBondContact O-CG 3.21Å; E569-K573 PolarHBondContact O-N 2.63Å; E569-K573 IonicContact OE2-NZ 2.68Å; E569-K573 PolarHBondContact OE2-NZ 3.25Å
570R96.9Very high95.6Very high92 Ų9260.5 Ų60.535%0.34728%0.275SS..Hα-helixtrans-64.9-47.4180-68.6-81.5-166.4168.86.2110.1V566 F567 K573 G574 S635 I636 E639V566-R570 HydrophobicContact CG1-CG 4.15Å; V566-R570 WeakPolarHBondContact O-CB 3.19Å; V566-R570 WeakPolarHBondContact O-CG 3.47Å; V566-R570 PolarHBondContact O-N 3.14Å; F567-R570 PolarHBondContact O-N 3.34Å; R570-K573 WeakPolarHBondContact O-CB 3.42Å; R570-K573 PolarHBondContact O-N 2.93Å; R570-G574 PolarHBondContact O-N 3.46Å; R570-S635 WeakPolarHBondContact CD-O 3.29Å; R570-S635 WeakPolarHBondContact O-CB 3.42Å; R570-S635 PolarHBondContact O-OG 2.88Å; R570-I636 HydrophobicContact CB-CG2 3.92Å; R570-E639 IonicContact CZ-OE2 2.76Å; R570-E639 VanDerWaalsContact CZ-OE2 3.23Å; R570-E639 IonicContact NE-OE2 2.77Å; R570-E639 PolarHBondContact NE-OE2 2.86Å; R570-E639 IonicContact NH2-OE2 2.73Å; R570-E639 PolarHBondContact NH2-OE2 2.99Å
571L96.7Very high95.8Very high0 Ų061.7 Ų61.70%028%0.284CS..Hα-helixtrans-64.4-38.9177.8-74.6167.9000112.3F567 E568 K573 G574 V575 I636 L707 K754 M757 M758F567-L571 VanDerWaalsContact O-CB 3.3Å; F567-L571 WeakPolarHBondContact O-CB 3.19Å; F567-L571 WeakPolarHBondContact O-CG 3.46Å; F567-L571 PolarHBondContact O-N 3.13Å; E568-L571 PolarHBondContact O-N 3.07Å; L571-K573 VanDerWaalsContact C-N 3.3Å; L571-K573 PolarHBondContact O-N 3.32Å; L571-G574 CarbonylContact O-C 3.6Å; L571-G574 WeakPolarHBondContact O-CA 3.2Å; L571-G574 PolarHBondContact O-N 3.22Å; L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.22Å; L571-I636 HydrophobicContact CD2-CD1 4.45Å; L571-I636 HydrophobicContact CD2-CG2 3.66Å; L571-I636 HydrophobicContact CG-CG2 3.69Å; L571-L707 HydrophobicContact CD2-CD1 4.34Å; L571-L707 HydrophobicContact CD2-CD2 4.1Å; L571-K754 HydrophobicContact CB-CB 4.34Å; L571-K754 HydrophobicContact CB-CD 3.92Å; L571-K754 HydrophobicContact CB-CG 3.92Å; L571-K754 HydrophobicContact CD1-CG 4.38Å; L571-M757 HydrophobicContact CD1-CE 4.37Å; L571-M757 HydrophobicContact CD1-CG 4.31Å; L571-M757 HydrophobicContact CD1-SD 3.8Å; L571-M757 HydrophobicContact CD2-SD 4.06Å; L571-M757 HydrophobicContact CG-SD 4.49Å; L571-M758 HydrophobicContact CD1-CG 4.05Å; L571-M758 HydrophobicContact CD1-SD 3.56Å; L571-M758 VanDerWaalsContact CD1-SD 3.56Å
572Q97.9Very high95.8Very high61 Ų6160.1 Ų60.129%0.28528%0.275SS..Hα-helixtrans-61-42.1173.9-164.669.454.200111.2E568 G574 V575 E576 E751E568-Q572 PolarHBondContact O-N 2.8Å; Q572-G574 VanDerWaalsContact C-N 3.25Å; Q572-G574 PolarHBondContact O-N 2.93Å; Q572-V575 PolarHBondContact O-N 2.93Å; Q572-E576 PolarHBondContact NE2-OE1 2.94Å; Q572-E576 PolarHBondContact O-N 3.12Å; Q572-E751 PolarHBondContact NE2-OE2 2.88Å; Q572-E751 VanDerWaalsContact NE2-OE2 3.09Å
573K96.9Very high95.8Very high104 Ų10456 Ų5645%0.45226%0.264SS..Hα-helixtrans-62.9-33.3174.7-64.4157.3-162.7166.30111.1E569 R570 L571 R577E569-K573 WeakPolarHBondContact O-CD 3.07Å; E569-K573 WeakPolarHBondContact O-CE 3.16Å; E569-K573 VanDerWaalsContact O-CG 3.23Å; E569-K573 WeakPolarHBondContact O-CG 3.21Å; E569-K573 PolarHBondContact O-N 2.63Å; E569-K573 IonicContact OE2-NZ 2.68Å; E569-K573 PolarHBondContact OE2-NZ 3.25Å; R570-K573 WeakPolarHBondContact O-CB 3.42Å; R570-K573 PolarHBondContact O-N 2.93Å; L571-K573 VanDerWaalsContact C-N 3.3Å; L571-K573 PolarHBondContact O-N 3.32Å; K573-R577 WeakPolarHBondContact O-CB 2.82Å; K573-R577 WeakPolarHBondContact O-CD 3.09Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.82Å
574G97.1Very high95.9Very high0 Ų060.8 Ų60.80%029%0.29CS..Hα-helixtrans-69.1-41.5170.600000114.3R570 L571 Q572 R577 S578 P631 S635R570-G574 PolarHBondContact O-N 3.46Å; L571-G574 CarbonylContact O-C 3.6Å; L571-G574 WeakPolarHBondContact O-CA 3.2Å; L571-G574 PolarHBondContact O-N 3.22Å; Q572-G574 VanDerWaalsContact C-N 3.25Å; Q572-G574 PolarHBondContact O-N 2.93Å; G574-R577 WeakPolarHBondContact O-CB 3.27Å; G574-R577 PolarHBondContact O-N 2.76Å; G574-S578 WeakPolarHBondContact O-CB 3.01Å; G574-S578 PolarHBondContact O-N 3.24Å; G574-S578 PolarHBondContact O-OG 3.08Å; G574-P631 WeakPolarHBondContact CA-O 3.39Å; G574-S635 WeakPolarHBondContact CA-OG 3.38Å
575V97.9Very high95.7Very high0 Ų060.4 Ų60.40%029%0.29CS..Hα-helixtrans-62.3-48.5176.9169.10000110.3L571 Q572 R577 S578 K579 L632 F750 K754L571-V575 WeakPolarHBondContact O-CG2 3.44Å; L571-V575 PolarHBondContact O-N 3.22Å; Q572-V575 PolarHBondContact O-N 2.93Å; V575-R577 VanDerWaalsContact C-N 3.32Å; V575-R577 PolarHBondContact O-N 2.97Å; V575-S578 WeakPolarHBondContact O-CB 3.45Å; V575-S578 PolarHBondContact O-N 2.85Å; V575-S578 VanDerWaalsContact O-N 3.09Å; V575-K579 HydrophobicContact CG1-CD 3.89Å; V575-K579 HydrophobicContact CG1-CG 4.38Å; V575-K579 VanDerWaalsContact CG1-NZ 3.29Å; V575-K579 WeakPolarHBondContact O-CG 3.33Å; V575-K579 PolarHBondContact O-N 2.97Å; V575-L632 HydrophobicContact CB-CD2 4.35Å; V575-L632 HydrophobicContact CG2-CD2 3.59Å; V575-F750 HydrophobicContact CG1-CB 4.07Å; V575-F750 HydrophobicContact CG2-CB 4.34Å; V575-F750 WeakPolarHBondContact CG2-O 3.43Å; V575-K754 HydrophobicContact CG2-CB 3.8Å; V575-K754 HydrophobicContact CG2-CD 3.98Å
576E97.6Very high95.6Very high75 Ų7554.6 Ų54.635%0.3526%0.264SS..Hα-helixtrans-66.1-34.5177.4-60.2-40.6123.100112.2Q572 S578 K579 N580Q572-E576 PolarHBondContact NE2-OE1 2.94Å; Q572-E576 PolarHBondContact O-N 3.12Å; E576-S578 VanDerWaalsContact C-N 3.35Å; E576-K579 IonicContact OE1-NZ 3.79Å; E576-K579 PolarHBondContact OE1-NZ 2.97Å; E576-K579 VanDerWaalsContact OE2-CD 3.32Å; E576-K579 WeakPolarHBondContact OE2-CD 3.35Å; E576-K579 IonicContact OE2-NZ 3.23Å; E576-N580 WeakPolarHBondContact O-CB 3.29Å; E576-N580 PolarHBondContact O-N 2.8Å; E576-N580 VanDerWaalsContact O-N 3.15Å; E576-N580 PolarHBondContact O-ND2 2.63Å
577R96.2Very high95.3Very high146 Ų14655.8 Ų55.855%0.55127%0.272SS*.Hα-helixtrans-62.3-41.4169.9-76.3168.1179.4-170.6-0.7111.7K573 G574 V575 N580 S581 P631K573-R577 WeakPolarHBondContact O-CB 2.82Å; K573-R577 WeakPolarHBondContact O-CD 3.09Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.82Å; G574-R577 WeakPolarHBondContact O-CB 3.27Å; G574-R577 PolarHBondContact O-N 2.76Å; V575-R577 VanDerWaalsContact C-N 3.32Å; V575-R577 PolarHBondContact O-N 2.97Å; R577-N580 PolarHBondContact O-N 3.2Å; R577-S581 VanDerWaalsContact O-CB 3.24Å; R577-S581 WeakPolarHBondContact O-CB 3.22Å; R577-S581 PolarHBondContact O-N 3.1Å; R577-S581 PolarHBondContact O-OG 3.39Å; R577-P631 HydrophobicContact CB-CB 4.09Å
578S96.2Very high94.9Very high0 Ų059.8 Ų59.80%030%0.3CS..Hα-helixtrans-66.1-49.7178.8-53.30000111.5G574 V575 E576 N580 S581 Y582 P631 F750G574-S578 WeakPolarHBondContact O-CB 3.01Å; G574-S578 PolarHBondContact O-N 3.24Å; G574-S578 PolarHBondContact O-OG 3.08Å; V575-S578 WeakPolarHBondContact O-CB 3.45Å; V575-S578 PolarHBondContact O-N 2.85Å; V575-S578 VanDerWaalsContact O-N 3.09Å; E576-S578 VanDerWaalsContact C-N 3.35Å; S578-N580 PolarHBondContact O-N 3.49Å; S578-N580 VanDerWaalsContact O-N 3.14Å; S578-S581 PolarHBondContact O-N 2.96Å; S578-S581 VanDerWaalsContact O-N 3.1Å; S578-Y582 PolarHBondContact O-N 3.18Å; S578-P631 WeakPolarHBondContact OG-CB 3.2Å; S578-F750 VanDerWaalsContact CB-CD2 3.44Å
579K95.8Very high94.5Very high36 Ų3656.1 Ų56.116%0.15728%0.283CS..Hα-helixtrans-54.3-31.7174.8-72.3168.4-178.2163.60113.1V575 E576 Y582 F750 E751V575-K579 HydrophobicContact CG1-CD 3.89Å; V575-K579 HydrophobicContact CG1-CG 4.38Å; V575-K579 VanDerWaalsContact CG1-NZ 3.29Å; V575-K579 WeakPolarHBondContact O-CG 3.33Å; V575-K579 PolarHBondContact O-N 2.97Å; E576-K579 IonicContact OE1-NZ 3.79Å; E576-K579 PolarHBondContact OE1-NZ 2.97Å; E576-K579 VanDerWaalsContact OE2-CD 3.32Å; E576-K579 WeakPolarHBondContact OE2-CD 3.35Å; E576-K579 IonicContact OE2-NZ 3.23Å; K579-Y582 VanDerWaalsContact O-CD1 3.25Å; K579-Y582 WeakPolarHBondContact O-CD1 3.28Å; K579-Y582 VanDerWaalsContact O-CE1 3.3Å; K579-Y582 WeakPolarHBondContact O-CE1 3.49Å; K579-F750 HydrophobicContact CG-CD2 4.21Å; K579-E751 IonicContact NZ-OE2 2.76Å; K579-E751 PolarHBondContact NZ-OE2 2.73Å
580N94.8Very high94Very high132 Ų13250.8 Ų50.871%0.70626%0.259SS*.Hα-helixtrans-95-14.8179.1-73.2-66000115.1E576 R577 S578E576-N580 WeakPolarHBondContact O-CB 3.29Å; E576-N580 PolarHBondContact O-N 2.8Å; E576-N580 VanDerWaalsContact O-N 3.15Å; E576-N580 PolarHBondContact O-ND2 2.63Å; R577-N580 PolarHBondContact O-N 3.2Å; S578-N580 PolarHBondContact O-N 3.49Å; S578-N580 VanDerWaalsContact O-N 3.14Å
581S95Very high93.6Very high30 Ų3050 Ų5021%0.2126%0.256CS..Hα-helixtrans-117.5-13.1-174.5640000115.6R577 S578 G583 N584 I585R577-S581 VanDerWaalsContact O-CB 3.24Å; R577-S581 WeakPolarHBondContact O-CB 3.22Å; R577-S581 PolarHBondContact O-N 3.1Å; R577-S581 PolarHBondContact O-OG 3.39Å; S578-S581 PolarHBondContact O-N 2.96Å; S578-S581 VanDerWaalsContact O-N 3.1Å; S581-G583 PolarHBondContact O-N 3.04Å; S581-G583 VanDerWaalsContact O-N 3.08Å; S581-N584 PolarHBondContact O-N 3.14Å; S581-I585 WeakPolarHBondContact O-CG1 3.5Å; S581-I585 PolarHBondContact O-N 3.16Å
582Y93.4Very high92.8Very high39 Ų3951.7 Ų51.715%0.15327%0.267CS..Hα-helixtrans-49.1-39.8-179.277.6-79.8000113.4S578 K579 N584 I585 L586 V742 H743 K746S578-Y582 PolarHBondContact O-N 3.18Å; K579-Y582 VanDerWaalsContact O-CD1 3.25Å; K579-Y582 WeakPolarHBondContact O-CD1 3.28Å; K579-Y582 VanDerWaalsContact O-CE1 3.3Å; K579-Y582 WeakPolarHBondContact O-CE1 3.49Å; Y582-N584 PolarHBondContact O-N 2.64Å; Y582-I585 PolarHBondContact O-N 2.83Å; Y582-L586 HydrophobicContact CD2-CD1 4.27Å; Y582-L586 WeakPolarHBondContact O-CB 3.39Å; Y582-L586 WeakPolarHBondContact O-CG 3.37Å; Y582-L586 PolarHBondContact O-N 3.45Å; Y582-V742 HydrophobicContact CD2-CG1 3.65Å; Y582-V742 HydrophobicContact CG-CG1 4.18Å; Y582-H743 HydrophobicContact CE2-CB 4.41Å; Y582-H743 AromaticContact CZ-ND1 3.98Å; Y582-H743 PolarHBondContact OH-ND1 3.17Å; Y582-K746 HydrophobicContact CD1-CD 3.82Å; Y582-K746 HydrophobicContact CE1-CD 3.32Å; Y582-K746 HydrophobicContact CE2-CD 4.29Å; Y582-K746 HydrophobicContact CG-CD 4.49Å; Y582-K746 PolarHBondContact OH-NZ 2.96Å
583G92.1Very high91.3Very high28 Ų2860.9 Ų60.929%0.28930%0.299SS..Hα-helixtrans-63.5-40.1179.300000113S581 T587S581-G583 PolarHBondContact O-N 3.04Å; S581-G583 VanDerWaalsContact O-N 3.08Å; G583-T587 VanDerWaalsContact O-CB 3.29Å; G583-T587 WeakPolarHBondContact O-CB 3.4Å; G583-T587 PolarHBondContact O-N 3.47Å; G583-T587 PolarHBondContact O-OG1 2.83Å
584N92.2Very high89.6Confident122 Ų12265.7 Ų65.765%0.65232%0.32SS*.Hα-helixtrans-70.2-39175.1-69.6-35.4000111.4S581 Y582 T587 S588S581-N584 PolarHBondContact O-N 3.14Å; Y582-N584 PolarHBondContact O-N 2.64Å; N584-T587 PolarHBondContact O-N 3.01Å; N584-S588 WeakPolarHBondContact O-CB 3.46Å; N584-S588 PolarHBondContact O-N 2.74Å; N584-S588 PolarHBondContact O-OG 3.48Å
585I92Very high87.9Confident26 Ų2671 Ų7113%0.13334%0.34CS..Hα-helixtrans-62-51.3176.9-66.6168.2000110.2S581 Y582 S588 T589 N627 L628 P631S581-I585 WeakPolarHBondContact O-CG1 3.5Å; S581-I585 PolarHBondContact O-N 3.16Å; Y582-I585 PolarHBondContact O-N 2.83Å; I585-S588 PolarHBondContact O-N 3.22Å; I585-S588 PolarHBondContact O-OG 2.92Å; I585-T589 WeakPolarHBondContact O-CB 3.3Å; I585-T589 PolarHBondContact O-N 3.25Å; I585-T589 PolarHBondContact O-OG1 3.49Å; I585-N627 HydrophobicContact CG2-CB 3.89Å; I585-N627 WeakPolarHBondContact CG2-O 3.43Å; I585-L628 HydrophobicContact CG2-CD2 4.38Å; I585-P631 HydrophobicContact CD1-CG 3.53Å
586L92.1Very high86.2Confident4 Ų475.5 Ų75.52%0.02136%0.364CS..Hα-helixtrans-60.9-47.5175.1-71.2-178000111.3Y582 S588 T589 L590 L628 I738 E739 V742Y582-L586 HydrophobicContact CD2-CD1 4.27Å; Y582-L586 WeakPolarHBondContact O-CB 3.39Å; Y582-L586 WeakPolarHBondContact O-CG 3.37Å; Y582-L586 PolarHBondContact O-N 3.45Å; L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 3.33Å; L586-T589 PolarHBondContact O-N 3.01Å; L586-L590 HydrophobicContact CB-CD1 4.25Å; L586-L590 HydrophobicContact CD2-CD1 4.35Å; L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.26Å; L586-L590 WeakPolarHBondContact O-CG 3.29Å; L586-L590 PolarHBondContact O-N 3.33Å; L586-L628 HydrophobicContact CD2-CD2 4.1Å; L586-L628 HydrophobicContact CG-CD2 4.29Å; L586-I738 HydrophobicContact CD2-CG2 3.89Å; L586-E739 HydrophobicContact CD1-CG 4.24Å; L586-V742 HydrophobicContact CD1-CB 3.84Å; L586-V742 HydrophobicContact CD1-CG1 3.99Å; L586-V742 HydrophobicContact CD1-CG2 4.12Å
587T90.8Very high84.6Confident78 Ų7873.8 Ų73.848%0.47937%0.367SS..Hα-helixtrans-53.5-46176.5-59.50000111.3G583 N584 T589 Y591G583-T587 VanDerWaalsContact O-CB 3.29Å; G583-T587 WeakPolarHBondContact O-CB 3.4Å; G583-T587 PolarHBondContact O-N 3.47Å; G583-T587 PolarHBondContact O-OG1 2.83Å; N584-T587 PolarHBondContact O-N 3.01Å; T587-T589 VanDerWaalsContact C-N 3.29Å; T587-T589 PolarHBondContact O-N 2.93Å; T587-Y591 WeakPolarHBondContact O-CB 3.2Å; T587-Y591 PolarHBondContact O-N 3.34Å
588S88Confident83.1Confident84 Ų8474.8 Ų74.859%0.58737%0.37SS*.Hα-helixtrans-68.9-24.217976.90000114.4N584 I585 L586N584-S588 WeakPolarHBondContact O-CB 3.46Å; N584-S588 PolarHBondContact O-N 2.74Å; N584-S588 PolarHBondContact O-OG 3.48Å; I585-S588 PolarHBondContact O-N 3.22Å; I585-S588 PolarHBondContact O-OG 2.92Å; L586-S588 VanDerWaalsContact C-N 3.27Å; L586-S588 PolarHBondContact O-N 3.33Å
589T87.4Confident82Confident10 Ų1076.1 Ų76.16%0.06138%0.384CS..Hα-helixtrans-90-40.3-178.8-53.30000111.7I585 L586 T587 F600 M622 I624 N627I585-T589 WeakPolarHBondContact O-CB 3.3Å; I585-T589 PolarHBondContact O-N 3.25Å; I585-T589 PolarHBondContact O-OG1 3.49Å; L586-T589 PolarHBondContact O-N 3.01Å; T587-T589 VanDerWaalsContact C-N 3.29Å; T587-T589 PolarHBondContact O-N 2.93Å; T589-F600 WeakPolarHBondContact O-CZ 3.37Å; T589-M622 HydrophobicContact CG2-CG 4.03Å; T589-M622 HydrophobicContact CG2-SD 4.1Å; T589-I624 HydrophobicContact CG2-CG1 4.05Å; T589-N627 PolarHBondContact OG1-ND2 2.94Å
590L88.1Confident81.3Confident0 Ų074.6 Ų74.60%038%0.377CS..Hα-helixtrans-94.3-18.9-172.1-62.8-179.8000114L586 P592 F600 L604 R735 I738 E739L586-L590 HydrophobicContact CB-CD1 4.25Å; L586-L590 HydrophobicContact CD2-CD1 4.35Å; L586-L590 VanDerWaalsContact O-CB 3.32Å; L586-L590 WeakPolarHBondContact O-CB 3.26Å; L586-L590 WeakPolarHBondContact O-CG 3.29Å; L586-L590 PolarHBondContact O-N 3.33Å; L590-P592 VanDerWaalsContact C-CD 3.47Å; L590-F600 WeakPolarHBondContact O-CE1 3.31Å; L590-L604 HydrophobicContact CD2-CD1 3.73Å; L590-L604 HydrophobicContact CD2-CD2 4.08Å; L590-R735 HydrophobicContact CB-CG 4.26Å; L590-R735 VanDerWaalsContact O-CZ 3.31Å; L590-R735 PolarHBondContact O-NE 2.71Å; L590-R735 PolarHBondContact O-NH2 2.83Å; L590-I738 HydrophobicContact CD1-CB 4.29Å; L590-I738 HydrophobicContact CD1-CG2 3.98Å; L590-I738 HydrophobicContact CD2-CD1 4.08Å; L590-E739 HydrophobicContact CD1-CG 3.83Å
591Y87.8Confident80.7Confident76 Ų7671 Ų7130%0.29836%0.356SS..SBendtrans-130.562.1-179.6-52.2-97.7000112T587 R593 E739T587-Y591 WeakPolarHBondContact O-CB 3.2Å; T587-Y591 PolarHBondContact O-N 3.34Å; Y591-R593 PolarHBondContact O-N 3.43Å; Y591-E739 WeakPolarHBondContact CE2-OE1 3.4Å; Y591-E739 VanDerWaalsContact CZ-OE1 3.29Å; Y591-E739 PolarHBondContact OH-OE1 3.36Å
592P79.4Confident79.9Confident35 Ų3573.8 Ų73.823%0.22736%0.364CS..  trans-65.4117.6179.426.8-34.3000111.8L590 K594 R595 F600L590-P592 VanDerWaalsContact C-CD 3.47Å; P592-K594 PolarHBondContact O-N 2.85Å; P592-R595 HydrophobicContact CG-CB 4.3Å; P592-R595 HydrophobicContact CG-CG 4.4Å; P592-R595 PolarHBondContact O-N 3.07Å; P592-F600 HydrophobicContact CG-CD2 3.53Å; P592-F600 HydrophobicContact CG-CE2 3.68Å; P592-F600 HydrophobicContact CG-CG 3.99Å; P592-F600 HydrophobicContact CG-CZ 4.26Å
593R66.1Low79.3Confident254 Ų25472.8 Ų72.896%0.95836%0.361SS*.THydrogen-bonded Turntrans-58.84.5-173.5-64.8-176.6175.3-179-2.3117.4Y591Y591-R593 PolarHBondContact O-N 3.43Å
594K62.2Low79Confident205 Ų20571.4 Ų71.489%0.89135%0.347SS*.THydrogen-bonded Turntrans-148.228.2-172.6-66.7-165.4175-169.90114.8P592P592-K594 PolarHBondContact O-N 2.85Å
595R60.3Low78.7Confident111 Ų11168.4 Ų68.442%0.41933%0.328SS..SBendtrans-121.1145.8172.9-74.1-177.2167.7139.1-2.7110.5P592 F600P592-R595 HydrophobicContact CG-CB 4.3Å; P592-R595 HydrophobicContact CG-CG 4.4Å; P592-R595 PolarHBondContact O-N 3.07Å; R595-F600 HydrophobicContact CB-CB 4.18Å
596D63.2Low78.2Confident94 Ų9470.8 Ų70.850%0.50334%0.338SS..  trans-58.4138.9163.6-179.85.7000108.7R598 G599 F600D596-R598 PolarHBondContact O-N 3.19Å; D596-R598 PolarHBondContact OD1-N 3.03Å; D596-R598 IonicContact OD2-NE 2.67Å; D596-R598 PolarHBondContact OD2-NE 3.25Å; D596-G599 PolarHBondContact O-N 2.89Å; D596-F600 WeakPolarHBondContact O-CB 3.1Å; D596-F600 PolarHBondContact O-N 3.4Å
597G62.8Low77.8Confident39 Ų3970.6 Ų70.640%0.40234%0.337SS..Hα-helixtrans-58.2-31.2173.600000112.7H601G597-H601 WeakPolarHBondContact O-CB 3.47Å; G597-H601 PolarHBondContact O-N 3.47Å
598R65.8Low77.7Confident168 Ų16867 Ų6763%0.63432%0.315SS*.Hα-helixtrans-70-51.2176.2-66-173.2-73.8-172.8-5112.5D596 F600 H601 K602D596-R598 PolarHBondContact O-N 3.19Å; D596-R598 PolarHBondContact OD1-N 3.03Å; D596-R598 IonicContact OD2-NE 2.67Å; D596-R598 PolarHBondContact OD2-NE 3.25Å; R598-F600 PolarHBondContact O-N 3.18Å; R598-H601 WeakPolarHBondContact O-CB 3.27Å; R598-H601 PolarHBondContact O-N 2.73Å; R598-K602 PolarHBondContact O-N 2.9Å
599G72.2Confident77.4Confident27 Ų2767.3 Ų67.328%0.27831%0.307SS..Hα-helixtrans-61.7-41.2175.700000112.5D596 H601 K602 Q603D596-G599 PolarHBondContact O-N 2.89Å; G599-H601 PolarHBondContact O-N 2.97Å; G599-K602 PolarHBondContact O-N 2.8Å; G599-Q603 PolarHBondContact O-N 3.03Å; G599-Q603 VanDerWaalsContact O-N 3.13Å
600F81.4Confident77.1Confident4 Ų468.5 Ų68.52%0.01831%0.313CS..Hα-helixtrans-68.1-32.2175.5-174.4-104.3000113.3T589 L590 P592 R595 D596 R598 Q603 L604 M622 L731T589-F600 WeakPolarHBondContact O-CZ 3.37Å; L590-F600 WeakPolarHBondContact O-CE1 3.31Å; P592-F600 HydrophobicContact CG-CD2 3.53Å; P592-F600 HydrophobicContact CG-CE2 3.68Å; P592-F600 HydrophobicContact CG-CG 3.99Å; P592-F600 HydrophobicContact CG-CZ 4.26Å; R595-F600 HydrophobicContact CB-CB 4.18Å; D596-F600 WeakPolarHBondContact O-CB 3.1Å; D596-F600 PolarHBondContact O-N 3.4Å; R598-F600 PolarHBondContact O-N 3.18Å; F600-Q603 PolarHBondContact O-N 3.11Å; F600-L604 HydrophobicContact CE1-CB 4.11Å; F600-L604 HydrophobicContact CE1-CD2 4.13Å; F600-L604 HydrophobicContact CZ-CB 4.17Å; F600-L604 PolarHBondContact O-N 3.37Å; F600-M622 HydrophobicContact CE2-CE 4.27Å; F600-M622 HydrophobicContact CE2-SD 3.84Å; F600-M622 HydrophobicContact CZ-SD 4.19Å; F600-L731 HydrophobicContact CD1-CD1 3.95Å; F600-L731 HydrophobicContact CE1-CD1 4.13Å
601H82.9Confident76.9Confident58 Ų5874.4 Ų74.427%0.26934%0.34SS..Hα-helixtrans-60.9-47.3173.1173.6-115.2000112.2G597 R598 G599 Q603 L604 K605 T730 L731G597-H601 WeakPolarHBondContact O-CB 3.47Å; G597-H601 PolarHBondContact O-N 3.47Å; R598-H601 WeakPolarHBondContact O-CB 3.27Å; R598-H601 PolarHBondContact O-N 2.73Å; G599-H601 PolarHBondContact O-N 2.97Å; H601-Q603 VanDerWaalsContact C-N 3.31Å; H601-Q603 PolarHBondContact O-N 3.2Å; H601-L604 PolarHBondContact O-N 2.84Å; H601-K605 WeakPolarHBondContact O-CB 3.39Å; H601-K605 PolarHBondContact O-N 3Å; H601-T730 WeakPolarHBondContact NE2-CG2 3.4Å; H601-L731 HydrophobicContact CB-CB 4.32Å; H601-L731 HydrophobicContact CB-CD1 4.37Å; H601-L731 HydrophobicContact CB-CD2 4.37Å
602K77.7Confident76.8Confident87 Ų8770.8 Ų70.838%0.37833%0.326SS..Hα-helixtrans-56-46.5172.7-69.5-173.4174.7-175.50110.8D253 S254 R598 G599 K605 K606D253-K602 HydrophobicContact CB-CD 4.38Å; S254-K602 PolarHBondContact OG-NZ 3.38Å; R598-K602 PolarHBondContact O-N 2.9Å; G599-K602 PolarHBondContact O-N 2.8Å; K602-K605 PolarHBondContact O-N 3.14Å; K602-K606 WeakPolarHBondContact O-CB 3.41Å; K602-K606 PolarHBondContact O-N 3.32Å
603Q80.8Confident76.9Confident18 Ų1870.4 Ų70.48%0.08432%0.323CS..Hα-helixtrans-64.8-42-179.3-161-174.212.200113.9G599 F600 H601 A607 C614 M622G599-Q603 PolarHBondContact O-N 3.03Å; G599-Q603 VanDerWaalsContact O-N 3.13Å; F600-Q603 PolarHBondContact O-N 3.11Å; H601-Q603 VanDerWaalsContact C-N 3.31Å; H601-Q603 PolarHBondContact O-N 3.2Å; Q603-A607 WeakPolarHBondContact O-CB 3.41Å; Q603-A607 PolarHBondContact O-N 3.38Å; Q603-C614 HydrophobicContact CG-CB 4.29Å; Q603-M622 HydrophobicContact CG-CE 4.02Å; Q603-M622 WeakPolarHBondContact O-CE 3.23Å
604L86.6Confident77.4Confident0 Ų058.5 Ų58.50%028%0.279CS..Hα-helixtrans-70.6-40.3178.3-176.160.2000111.5L590 F600 H601 A607 V608 M622 I624 L731 M734 R735 I738L590-L604 HydrophobicContact CD2-CD1 3.73Å; L590-L604 HydrophobicContact CD2-CD2 4.08Å; F600-L604 HydrophobicContact CE1-CB 4.11Å; F600-L604 HydrophobicContact CE1-CD2 4.13Å; F600-L604 HydrophobicContact CZ-CB 4.17Å; F600-L604 PolarHBondContact O-N 3.37Å; H601-L604 PolarHBondContact O-N 2.84Å; L604-A607 WeakPolarHBondContact O-CB 3.5Å; L604-A607 PolarHBondContact O-N 3.13Å; L604-A607 VanDerWaalsContact O-N 3.16Å; L604-V608 PolarHBondContact O-N 3.13Å; L604-M622 HydrophobicContact CB-CE 4.27Å; L604-M622 HydrophobicContact CD1-CE 3.98Å; L604-I624 HydrophobicContact CD1-CD1 4.26Å; L604-L731 HydrophobicContact CD2-CD1 3.97Å; L604-M734 HydrophobicContact CB-CE 4.29Å; L604-M734 HydrophobicContact CD2-CB 4.12Å; L604-M734 HydrophobicContact CD2-CE 4.25Å; L604-M734 HydrophobicContact CG-CE 4.19Å; L604-R735 HydrophobicContact CD2-CG 3.99Å; L604-I738 HydrophobicContact CD1-CD1 4.08Å
605K85.3Confident77.8Confident58 Ų5851.5 Ų51.525%0.25225%0.247SC..Hα-helixtrans-58.8-50.7174.6-179.4155-177.6153.30111.3H601 K602 A607 V608 E609 M734H601-K605 WeakPolarHBondContact O-CB 3.39Å; H601-K605 PolarHBondContact O-N 3Å; K602-K605 PolarHBondContact O-N 3.14Å; K605-A607 PolarHBondContact O-N 3.03Å; K605-V608 WeakPolarHBondContact O-CG2 3.5Å; K605-V608 PolarHBondContact O-N 3.29Å; K605-V608 VanDerWaalsContact O-N 3.13Å; K605-E609 WeakPolarHBondContact CE-OE1 3.48Å; K605-E609 HydrophobicContact CG-CG 4.39Å; K605-E609 IonicContact NZ-OE1 3.59Å; K605-E609 WeakPolarHBondContact O-CG 3.42Å; K605-E609 PolarHBondContact O-N 2.98Å; K605-M734 HydrophobicContact CB-CE 4.12Å; K605-M734 HydrophobicContact CB-SD 4.19Å
606K80.9Confident77.9Confident76 Ų7647.9 Ų47.933%0.3324%0.238SC..Hα-helixtrans-60.7-30.1176-171.6165.3-172.8170.80113E257 K602 N610E257-K606 IonicContact OE1-NZ 2.7Å; E257-K606 PolarHBondContact OE1-NZ 3.25Å; K602-K606 WeakPolarHBondContact O-CB 3.41Å; K602-K606 PolarHBondContact O-N 3.32Å; K606-N610 WeakPolarHBondContact O-CB 3.46Å; K606-N610 PolarHBondContact O-N 3Å; K606-N610 PolarHBondContact O-ND2 3.11Å; K606-N610 VanDerWaalsContact O-ND2 3.08Å
607A85Confident77.5Confident0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-70.3-43.3174.300000112.4Q603 L604 K605 N610 E611 G612 V613 C614 M622Q603-A607 WeakPolarHBondContact O-CB 3.41Å; Q603-A607 PolarHBondContact O-N 3.38Å; L604-A607 WeakPolarHBondContact O-CB 3.5Å; L604-A607 PolarHBondContact O-N 3.13Å; L604-A607 VanDerWaalsContact O-N 3.16Å; K605-A607 PolarHBondContact O-N 3.03Å; A607-N610 CarbonylContact O-C 3.58Å; A607-N610 WeakPolarHBondContact O-CA 3.36Å; A607-N610 PolarHBondContact O-N 3.33Å; A607-N610 VanDerWaalsContact O-N 3.11Å; A607-E611 PolarHBondContact O-N 2.76Å; A607-G612 CarbonylContact O-C 3.54Å; A607-G612 VanDerWaalsContact O-CA 3.28Å; A607-G612 WeakPolarHBondContact O-CA 3.34Å; A607-G612 PolarHBondContact O-N 3Å; A607-V613 PolarHBondContact O-N 3.27Å; A607-C614 HydrophobicContact CB-CB 3.72Å; A607-M622 HydrophobicContact CB-CE 3.61Å
608V88.1Confident77.1Confident4 Ų453.3 Ų53.32%0.02425%0.246CC..Hα-helixtrans-73.9-29.3179.4-57.60000112.5L604 K605 N610 Y719 A722 A723 M734 I738L604-V608 PolarHBondContact O-N 3.13Å; K605-V608 WeakPolarHBondContact O-CG2 3.5Å; K605-V608 PolarHBondContact O-N 3.29Å; K605-V608 VanDerWaalsContact O-N 3.13Å; V608-N610 PolarHBondContact O-N 3.38Å; V608-Y719 HydrophobicContact CB-CD1 4.3Å; V608-Y719 HydrophobicContact CG1-CD1 3.96Å; V608-A722 HydrophobicContact CB-CB 4.02Å; V608-A722 HydrophobicContact CG1-CB 3.82Å; V608-A722 HydrophobicContact CG2-CB 4.1Å; V608-A723 HydrophobicContact CG2-CB 4Å; V608-M734 HydrophobicContact CG2-SD 3.9Å; V608-I738 HydrophobicContact CG1-CD1 3.99Å
609E81.8Confident76.9Confident89 Ų8948.3 Ų48.342%0.41625%0.247SC..THydrogen-bonded Turntrans-69.6-9.3168.3-67.9170.3160.700113.2K366 K605 A723K366-E609 PolarHBondContact NZ-O 3.21Å; K605-E609 WeakPolarHBondContact CE-OE1 3.48Å; K605-E609 HydrophobicContact CG-CG 4.39Å; K605-E609 IonicContact NZ-OE1 3.59Å; K605-E609 WeakPolarHBondContact O-CG 3.42Å; K605-E609 PolarHBondContact O-N 2.98Å; E609-A723 HydrophobicContact CG-CB 4.12Å
610N80.3Confident76.6Confident36 Ų3653.3 Ų53.319%0.19326%0.257CS..THydrogen-bonded Turntrans-130.342.3-178.2-63.7-15.2000111.5K366 K606 A607 V608 G612 V613K366-N610 WeakPolarHBondContact CD-OD1 3.43Å; K366-N610 WeakPolarHBondContact CE-OD1 3.47Å; K366-N610 PolarHBondContact NZ-OD1 3.34Å; K606-N610 WeakPolarHBondContact O-CB 3.46Å; K606-N610 PolarHBondContact O-N 3Å; K606-N610 PolarHBondContact O-ND2 3.11Å; K606-N610 VanDerWaalsContact O-ND2 3.08Å; A607-N610 CarbonylContact O-C 3.58Å; A607-N610 WeakPolarHBondContact O-CA 3.36Å; A607-N610 PolarHBondContact O-N 3.33Å; A607-N610 VanDerWaalsContact O-N 3.11Å; V608-N610 PolarHBondContact O-N 3.38Å; N610-G612 PolarHBondContact O-N 3.36Å; N610-V613 WeakPolarHBondContact CB-O 3.36Å; N610-V613 PolarHBondContact ND2-O 3.38Å; N610-V613 PolarHBondContact O-N 2.87Å
611E84.6Confident76.3Confident123 Ų12354.5 Ų54.558%0.57526%0.263SS*.THydrogen-bonded Turntrans57.529.6168.9-50.3-179.2169.700114.5A607 N625 Y719A607-E611 PolarHBondContact O-N 2.76Å; E611-N625 PolarHBondContact O-ND2 2.94Å; E611-Y719 WeakPolarHBondContact O-CE2 3.47Å
612G84.8Confident76.3Confident0 Ų052.3 Ų52.30%025%0.253CS..THydrogen-bonded Turntrans94.27.2-179.400000115.4A607 N610 N623 I624 Y719A607-G612 CarbonylContact O-C 3.54Å; A607-G612 VanDerWaalsContact O-CA 3.28Å; A607-G612 WeakPolarHBondContact O-CA 3.34Å; A607-G612 PolarHBondContact O-N 3Å; N610-G612 PolarHBondContact O-N 3.36Å; G612-N623 WeakPolarHBondContact O-CA 3.32Å; G612-I624 PolarHBondContact O-N 3.11Å; G612-Y719 VanDerWaalsContact CA-CZ 3.43Å
613V82.6Confident76.7Confident27 Ų2749.2 Ų49.216%0.16424%0.24CC..EExtended strand (participates in β ladder)trans-123.6118.7-172.6-170.20000113A607 N610 E621 M622A607-V613 PolarHBondContact O-N 3.27Å; N610-V613 WeakPolarHBondContact CB-O 3.36Å; N610-V613 PolarHBondContact ND2-O 3.38Å; N610-V613 PolarHBondContact O-N 2.87Å; V613-E621 HydrophobicContact CG1-CG 4.5Å; V613-M622 CarbonylContact C-O 3.54Å; V613-M622 WeakPolarHBondContact CA-O 3.45Å
614C77.1Confident77.2Confident4 Ų448.4 Ų48.43%0.02724%0.237CC..EExtended strand (participates in β ladder)trans-131.5112.1171.7178.50000111.7Q603 A607 P616 M622Q603-C614 HydrophobicContact CG-CB 4.29Å; A607-C614 HydrophobicContact CB-CB 3.72Å; C614-P616 WeakPolarHBondContact O-CD 3.33Å; C614-M622 PolarHBondContact N-O 3.47Å; C614-M622 PolarHBondContact O-N 3.02Å
615R69.9Low77.5Confident58 Ų5849.3 Ų49.322%0.21924%0.241CC..  trans-90.4109.7164.7-177.5173-70.3-165.52.5109.5N361 E621N361-R615 WeakPolarHBondContact O-CD 3.43Å; N361-R615 PolarHBondContact O-NH1 3.14Å; R615-E621 HydrophobicContact CB-CG 4.21Å; R615-E621 IonicContact CZ-OE2 3.32Å; R615-E621 VanDerWaalsContact CZ-OE2 3.29Å; R615-E621 IonicContact NE-OE2 3.13Å; R615-E621 PolarHBondContact NE-OE2 2.84Å; R615-E621 IonicContact NH2-OE2 2.63Å; R615-E621 PolarHBondContact NH2-OE2 3Å
616P63.3Low77.6Confident36 Ų3649 Ų4923%0.23424%0.241CC..  trans-74.3155.1171.433.4-34.3000110.1C614 K618C614-P616 WeakPolarHBondContact O-CD 3.33Å; P616-K618 WeakPolarHBondContact CG-O 3.44Å; P616-K618 PolarHBondContact O-N 2.95Å
617K54.7Low78.1Confident99 Ų9947.5 Ų47.543%0.4324%0.237SC..SBendtrans-61.8-27.5174.8-72.9177.5172.2-179.70113E256E256-K617 PolarHBondContact O-NZ 3.11Å; E256-K617 WeakPolarHBondContact OE2-CD 3.37Å; E256-K617 WeakPolarHBondContact OE2-CE 3.49Å; E256-K617 IonicContact OE2-NZ 2.66Å; E256-K617 PolarHBondContact OE2-NZ 3.2Å
618K54.3Low78.5Confident147 Ų14747.5 Ų47.564%0.63924%0.237SC*.SBendtrans-125.9122.4177.8-66.2157.3-178.4155.50109.6E256 P616E256-K618 WeakPolarHBondContact OE1-CE 3.43Å; E256-K618 IonicContact OE1-NZ 2.73Å; E256-K618 PolarHBondContact OE1-NZ 2.68Å; P616-K618 WeakPolarHBondContact CG-O 3.44Å; P616-K618 PolarHBondContact O-N 2.95Å
619G60.3Low78.8Confident63 Ų6347.4 Ų47.465%0.64924%0.237SC*.SBendtrans91.2-174.4174.400000115.6
620R66.5Low79.3Confident133 Ų13345 Ų4550%0.50223%0.23SC..PPolyproline II helixtrans-73.9135-165.8-168.2173.5175.2-128.6-11.1113.7
621E75.4Confident80Confident29 Ų2943.8 Ų43.814%0.13622%0.224CC..PPolyproline II helixtrans-52.1137.1169.1-174179.2126.700112.1V613 R615 N623V613-E621 HydrophobicContact CG1-CG 4.5Å; R615-E621 HydrophobicContact CB-CG 4.21Å; R615-E621 IonicContact CZ-OE2 3.32Å; R615-E621 VanDerWaalsContact CZ-OE2 3.29Å; R615-E621 IonicContact NE-OE2 3.13Å; R615-E621 PolarHBondContact NE-OE2 2.84Å; R615-E621 IonicContact NH2-OE2 2.63Å; R615-E621 PolarHBondContact NH2-OE2 3Å; E621-N623 PolarHBondContact OE1-ND2 2.83Å
622M81.9Confident80.4Confident11 Ų1138 Ų385%0.05420%0.196CC..EExtended strand (participates in β ladder)trans-103.5121.8170.2-178161.673.300108.6T589 F600 Q603 L604 A607 V613 C614T589-M622 HydrophobicContact CG2-CG 4.03Å; T589-M622 HydrophobicContact CG2-SD 4.1Å; F600-M622 HydrophobicContact CE2-CE 4.27Å; F600-M622 HydrophobicContact CE2-SD 3.84Å; F600-M622 HydrophobicContact CZ-SD 4.19Å; Q603-M622 HydrophobicContact CG-CE 4.02Å; Q603-M622 WeakPolarHBondContact O-CE 3.23Å; L604-M622 HydrophobicContact CB-CE 4.27Å; L604-M622 HydrophobicContact CD1-CE 3.98Å; A607-M622 HydrophobicContact CB-CE 3.61Å; V613-M622 CarbonylContact C-O 3.54Å; V613-M622 WeakPolarHBondContact CA-O 3.45Å; C614-M622 PolarHBondContact N-O 3.47Å; C614-M622 PolarHBondContact O-N 3.02Å
623N86.8Confident80.8Confident22 Ų2239 Ų3912%0.11820%0.203CC..EExtended strand (participates in β ladder)trans-138.296.3-177.4-169.6-40.5000108.9G612 E621 M626 N627G612-N623 WeakPolarHBondContact O-CA 3.32Å; E621-N623 PolarHBondContact OE1-ND2 2.83Å; N623-M626 HydrophobicContact CB-CB 4.21Å; N623-M626 HydrophobicContact CB-CG 4.45Å; N623-M626 VanDerWaalsContact CG-CG 3.47Å; N623-M626 WeakPolarHBondContact OD1-CB 3.16Å; N623-M626 VanDerWaalsContact OD1-CG 3.23Å; N623-M626 WeakPolarHBondContact OD1-CG 3.49Å; N623-M626 PolarHBondContact OD1-N 2.85Å; N623-N627 WeakPolarHBondContact O-CB 3.44Å; N623-N627 VanDerWaalsContact O-CG 3.29Å; N623-N627 PolarHBondContact O-N 3.46Å
624I91.4Very high81.3Confident1 Ų140.3 Ų40.31%0.00521%0.209CC..Hα-helixtrans-66.6-41.4-171.8-60.7171.1000110.2T589 L604 G612 N627 L628 M715 Y719 I738T589-I624 HydrophobicContact CG2-CG1 4.05Å; L604-I624 HydrophobicContact CD1-CD1 4.26Å; G612-I624 PolarHBondContact O-N 3.11Å; I624-N627 PolarHBondContact O-N 2.88Å; I624-L628 HydrophobicContact CG2-CD1 4.02Å; I624-L628 HydrophobicContact CG2-CG 4.46Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 3.44Å; I624-M715 HydrophobicContact CG2-CE 4.28Å; I624-Y719 WeakPolarHBondContact CB-OH 3.45Å; I624-Y719 HydrophobicContact CD1-CE1 4.04Å; I624-Y719 HydrophobicContact CG2-CE1 4.49Å; I624-Y719 WeakPolarHBondContact CG2-OH 3.38Å; I624-I738 HydrophobicContact CD1-CD1 4.25Å
625N92.2Very high82.1Confident19 Ų1940.7 Ų40.710%0.10221%0.211CC..Hα-helixtrans-61-49179.1-56.6-26.7000111.3E611 N627 L628 T629 Y719E611-N625 PolarHBondContact O-ND2 2.94Å; N625-N627 PolarHBondContact O-N 3.09Å; N625-L628 PolarHBondContact O-N 2.97Å; N625-T629 VanDerWaalsContact O-CB 3.3Å; N625-T629 WeakPolarHBondContact O-CB 3.4Å; N625-T629 PolarHBondContact O-N 3.04Å; N625-T629 PolarHBondContact O-OG1 3.09Å; N625-Y719 WeakPolarHBondContact OD1-CE2 3.42Å; N625-Y719 PolarHBondContact OD1-OH 3.49Å
626M88.1Confident83.3Confident51 Ų5138 Ų3825%0.25120%0.201SC..Hα-helixtrans-68-35178.7-65.5-71.1-85.400112.2S406 Q407 N623 T629 S630 A708S406-M626 WeakPolarHBondContact OG-CE 3.13Å; Q407-M626 HydrophobicContact CG-CE 4.38Å; N623-M626 HydrophobicContact CB-CB 4.21Å; N623-M626 HydrophobicContact CB-CG 4.45Å; N623-M626 VanDerWaalsContact CG-CG 3.47Å; N623-M626 WeakPolarHBondContact OD1-CB 3.16Å; N623-M626 VanDerWaalsContact OD1-CG 3.23Å; N623-M626 WeakPolarHBondContact OD1-CG 3.49Å; N623-M626 PolarHBondContact OD1-N 2.85Å; M626-T629 PolarHBondContact O-N 3.27Å; M626-S630 PolarHBondContact O-N 3.04Å; M626-A708 HydrophobicContact SD-CB 3.73Å
627N90.6Very high84.7Confident45 Ų4536.5 Ų36.524%0.24119%0.191CC..Hα-helixtrans-64.1-44.4173.9-78.6-1.9000112I585 T589 N623 I624 N625 T629 S630I585-N627 HydrophobicContact CG2-CB 3.89Å; I585-N627 WeakPolarHBondContact CG2-O 3.43Å; T589-N627 PolarHBondContact OG1-ND2 2.94Å; N623-N627 WeakPolarHBondContact O-CB 3.44Å; N623-N627 VanDerWaalsContact O-CG 3.29Å; N623-N627 PolarHBondContact O-N 3.46Å; I624-N627 PolarHBondContact O-N 2.88Å; N625-N627 PolarHBondContact O-N 3.09Å; N627-T629 VanDerWaalsContact C-N 3.34Å; N627-S630 PolarHBondContact O-N 3.06Å
628L93.9Very high86.3Confident1 Ų137.4 Ų37.41%0.00520%0.197CC..Hα-helixtrans-68.6-32.3175.4-72.9173.4000112.5I585 L586 I624 N625 P631 I711 M715 V742 F750I585-L628 HydrophobicContact CG2-CD2 4.38Å; L586-L628 HydrophobicContact CD2-CD2 4.1Å; L586-L628 HydrophobicContact CG-CD2 4.29Å; I624-L628 HydrophobicContact CG2-CD1 4.02Å; I624-L628 HydrophobicContact CG2-CG 4.46Å; I624-L628 WeakPolarHBondContact O-CG 3.48Å; I624-L628 PolarHBondContact O-N 3.44Å; N625-L628 PolarHBondContact O-N 2.97Å; L628-P631 WeakPolarHBondContact O-CD 3.38Å; L628-I711 HydrophobicContact CB-CG2 3.94Å; L628-I711 HydrophobicContact CD1-CG2 4.35Å; L628-M715 HydrophobicContact CD1-CE 4.3Å; L628-M715 HydrophobicContact CD1-CG 4.32Å; L628-M715 HydrophobicContact CD1-SD 4.02Å; L628-V742 HydrophobicContact CD1-CG2 3.97Å; L628-V742 HydrophobicContact CD2-CG1 4.1Å; L628-F750 HydrophobicContact CD2-CZ 4.49Å
629T93.9Very high88.1Confident2 Ų232.3 Ų32.31%0.01218%0.176CC..Hα-helixtrans-75.3-25178.1-550000112.7N625 M626 N627 P631 L632 T633 L707 A708 I711N625-T629 VanDerWaalsContact O-CB 3.3Å; N625-T629 WeakPolarHBondContact O-CB 3.4Å; N625-T629 PolarHBondContact O-N 3.04Å; N625-T629 PolarHBondContact O-OG1 3.09Å; M626-T629 PolarHBondContact O-N 3.27Å; N627-T629 VanDerWaalsContact C-N 3.34Å; T629-P631 VanDerWaalsContact C-CD 3.5Å; T629-P631 VanDerWaalsContact O-N 3.17Å; T629-L632 WeakPolarHBondContact O-CA 3.46Å; T629-L632 WeakPolarHBondContact O-CB 3.43Å; T629-L632 PolarHBondContact O-N 2.96Å; T629-T633 HydrophobicContact CG2-CG2 4.01Å; T629-T633 PolarHBondContact O-N 2.93Å; T629-L707 HydrophobicContact CG2-CB 3.82Å; T629-A708 HydrophobicContact CG2-CB 4.14Å; T629-A708 WeakPolarHBondContact OG1-CA 3.45Å; T629-I711 WeakPolarHBondContact OG1-CG1 2.94Å
630S92.1Very high89.6Confident38 Ų3829.3 Ų29.327%0.26615%0.145SC..Hα-helixtrans-48.7-46.4-171.21340000114.5M626 N627 L632 T633 D634M626-S630 PolarHBondContact O-N 3.04Å; N627-S630 PolarHBondContact O-N 3.06Å; S630-L632 PolarHBondContact O-N 2.76Å; S630-T633 PolarHBondContact O-N 3.49Å; S630-T633 PolarHBondContact O-OG1 2.96Å; S630-T633 VanDerWaalsContact O-OG1 3.13Å; S630-D634 WeakPolarHBondContact O-CB 3.11Å; S630-D634 PolarHBondContact O-N 2.61Å; S630-D634 PolarHBondContact OG-OD2 3.42Å
631P94.7Very high90.7Very high11 Ų1126.1 Ų26.17%0.07113%0.133CC..Hα-helixtrans-69.3-19-178-14.928.8000114G574 R577 S578 I585 L628 T629G574-P631 WeakPolarHBondContact CA-O 3.39Å; R577-P631 HydrophobicContact CB-CB 4.09Å; S578-P631 WeakPolarHBondContact OG-CB 3.2Å; I585-P631 HydrophobicContact CD1-CG 3.53Å; L628-P631 WeakPolarHBondContact O-CD 3.38Å; T629-P631 VanDerWaalsContact C-CD 3.5Å; T629-P631 VanDerWaalsContact O-N 3.17Å
632L94.3Very high91.3Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-74.6-55.1169.1-66166.4000110.2V575 T629 S630 D634 S635 L707 F750 A753V575-L632 HydrophobicContact CB-CD2 4.35Å; V575-L632 HydrophobicContact CG2-CD2 3.59Å; T629-L632 WeakPolarHBondContact O-CA 3.46Å; T629-L632 WeakPolarHBondContact O-CB 3.43Å; T629-L632 PolarHBondContact O-N 2.96Å; S630-L632 PolarHBondContact O-N 2.76Å; L632-D634 PolarHBondContact O-N 2.93Å; L632-S635 WeakPolarHBondContact O-CB 3.35Å; L632-S635 PolarHBondContact O-N 3.47Å; L632-S635 VanDerWaalsContact O-N 3.08Å; L632-S635 PolarHBondContact O-OG 2.79Å; L632-L707 HydrophobicContact CB-CD1 4.21Å; L632-L707 HydrophobicContact CD1-CD2 4.4Å; L632-F750 HydrophobicContact CD1-CD1 4.08Å; L632-A753 HydrophobicContact CD1-CB 4.11Å
633T92.8Very high91.6Very high21 Ų2127.3 Ų27.313%0.12914%0.143CC..Hα-helixtrans-62.8-44179.450.50000111.8T629 S630 S635 I636 D637 Y704 L707T629-T633 HydrophobicContact CG2-CG2 4.01Å; T629-T633 PolarHBondContact O-N 2.93Å; S630-T633 PolarHBondContact O-N 3.49Å; S630-T633 PolarHBondContact O-OG1 2.96Å; S630-T633 VanDerWaalsContact O-OG1 3.13Å; T633-S635 PolarHBondContact O-N 3.39Å; T633-I636 VanDerWaalsContact O-CG1 3.31Å; T633-I636 WeakPolarHBondContact O-CG1 3.3Å; T633-I636 PolarHBondContact O-N 2.82Å; T633-D637 VanDerWaalsContact C-OD2 3.24Å; T633-D637 WeakPolarHBondContact O-CB 3.45Å; T633-D637 PolarHBondContact O-N 3.46Å; T633-D637 VanDerWaalsContact O-OD2 3.08Å; T633-Y704 WeakPolarHBondContact CB-OH 3.27Å; T633-Y704 HydrophobicContact CG2-CE1 4.33Å; T633-Y704 HydrophobicContact CG2-CE2 4.11Å; T633-Y704 WeakPolarHBondContact CG2-OH 3.19Å; T633-L707 HydrophobicContact CG2-CD1 3.85Å
634D92.4Very high91.7Very high56 Ų5626.7 Ų26.730%0.29914%0.139SC..Hα-helixtrans-57.6-19.1175.7-76.8-54.1000113K465 S630 L632K465-D634 IonicContact NZ-OD1 3.46Å; K465-D634 PolarHBondContact NZ-OD1 2.97Å; S630-D634 WeakPolarHBondContact O-CB 3.11Å; S630-D634 PolarHBondContact O-N 2.61Å; S630-D634 PolarHBondContact OG-OD2 3.42Å; L632-D634 PolarHBondContact O-N 2.93Å
635S94.8Very high91.3Very high11 Ų1127.9 Ų27.98%0.07715%0.147CC..Hα-helixtrans-86.4-24.9176.179.10000114.2R570 G574 L632 T633R570-S635 WeakPolarHBondContact CD-O 3.29Å; R570-S635 WeakPolarHBondContact O-CB 3.42Å; R570-S635 PolarHBondContact O-OG 2.88Å; G574-S635 WeakPolarHBondContact CA-OG 3.38Å; L632-S635 WeakPolarHBondContact O-CB 3.35Å; L632-S635 PolarHBondContact O-N 3.47Å; L632-S635 VanDerWaalsContact O-N 3.08Å; L632-S635 PolarHBondContact O-OG 2.79Å; T633-S635 PolarHBondContact O-N 3.39Å
636I94.3Very high90.8Very high1 Ų128 Ų281%0.00515%0.147CC..Hα-helixtrans-112.2-17.7-176.458163.3000114.3F567 R570 L571 T633 E638 E639 F640 Y704 L707 M757F567-I636 HydrophobicContact CD1-CB 4.31Å; F567-I636 HydrophobicContact CD1-CG2 4Å; F567-I636 HydrophobicContact CE1-CB 4.22Å; F567-I636 HydrophobicContact CE1-CG2 4.41Å; R570-I636 HydrophobicContact CB-CG2 3.92Å; L571-I636 HydrophobicContact CD2-CD1 4.45Å; L571-I636 HydrophobicContact CD2-CG2 3.66Å; L571-I636 HydrophobicContact CG-CG2 3.69Å; T633-I636 VanDerWaalsContact O-CG1 3.31Å; T633-I636 WeakPolarHBondContact O-CG1 3.3Å; T633-I636 PolarHBondContact O-N 2.82Å; I636-E638 VanDerWaalsContact C-N 3.31Å; I636-E638 PolarHBondContact O-N 3.18Å; I636-E638 VanDerWaalsContact O-N 3.12Å; I636-E639 CarbonylContact O-C 3.57Å; I636-E639 WeakPolarHBondContact O-CA 3.24Å; I636-E639 WeakPolarHBondContact O-CB 3.17Å; I636-E639 PolarHBondContact O-N 2.73Å; I636-F640 PolarHBondContact O-N 3.4Å; I636-Y704 HydrophobicContact CD1-CD2 4.17Å; I636-Y704 HydrophobicContact CD1-CE2 4.18Å; I636-L707 HydrophobicContact CD1-CD1 3.76Å; I636-M757 HydrophobicContact CD1-CE 3.59Å; I636-M757 HydrophobicContact CD1-SD 3.77Å
637D92.3Very high89.8Confident5 Ų527.4 Ų27.43%0.02715%0.145CC..Hα-helixtrans-54.2-42-162.1-90.4-42.6000115.1N410 K465 H466 T633 R641 Y704N410-D637 WeakPolarHBondContact ND2-CA 3.45Å; N410-D637 PolarHBondContact ND2-O 3.06Å; N410-D637 PolarHBondContact ND2-OD1 3.06Å; K465-D637 HydrophobicContact CB-CB 4.11Å; K465-D637 HydrophobicContact CD-CB 4.29Å; H466-D637 IonicContact CE1-OD1 2.88Å; H466-D637 PolarHBondContact CE1-OD1 3.38Å; H466-D637 IonicContact CE1-OD2 2.75Å; H466-D637 PolarHBondContact CE1-OD2 2.83Å; H466-D637 IonicContact ND1-OD1 3.66Å; H466-D637 PolarHBondContact ND1-OD1 3.42Å; H466-D637 VanDerWaalsContact ND1-OD1 3.13Å; T633-D637 VanDerWaalsContact C-OD2 3.24Å; T633-D637 WeakPolarHBondContact O-CB 3.45Å; T633-D637 PolarHBondContact O-N 3.46Å; T633-D637 VanDerWaalsContact O-OD2 3.08Å; D637-R641 WeakPolarHBondContact O-CB 3.35Å; D637-R641 PolarHBondContact O-N 2.82Å; D637-Y704 WeakPolarHBondContact OD1-CE2 3.47Å; D637-Y704 PolarHBondContact OD1-OH 2.8Å
638E89.5Confident88.4Confident118 Ų11827 Ų2755%0.55115%0.151SC*.Hα-helixtrans-68.4-43.4177.5-177.6170.6-141.200111.6I636 F640 R641 T642I636-E638 VanDerWaalsContact C-N 3.31Å; I636-E638 PolarHBondContact O-N 3.18Å; I636-E638 VanDerWaalsContact O-N 3.12Å; E638-F640 VanDerWaalsContact C-N 3.33Å; E638-F640 PolarHBondContact O-N 3.33Å; E638-R641 PolarHBondContact O-N 2.76Å; E638-T642 WeakPolarHBondContact O-CG2 3.28Å; E638-T642 PolarHBondContact O-N 2.85Å; E638-T642 PolarHBondContact O-OG1 2.78Å
639E91.4Very high86.9Confident41 Ų4130.9 Ų30.919%0.19217%0.168CC..Hα-helixtrans-66.2-34.7177.3-155.773.7-103.200111.9V566 F567 R570 I636 T642 T643V566-E639 HydrophobicContact CG1-CG 3.82Å; V566-E639 VanDerWaalsContact CG1-OE2 3.26Å; V566-E639 WeakPolarHBondContact CG1-OE2 3.36Å; F567-E639 HydrophobicContact CE1-CB 4.16Å; F567-E639 HydrophobicContact CE1-CG 4.26Å; F567-E639 HydrophobicContact CE2-CG 4.47Å; F567-E639 HydrophobicContact CZ-CB 4.27Å; F567-E639 HydrophobicContact CZ-CG 4.08Å; R570-E639 IonicContact CZ-OE2 2.76Å; R570-E639 VanDerWaalsContact CZ-OE2 3.23Å; R570-E639 IonicContact NE-OE2 2.77Å; R570-E639 PolarHBondContact NE-OE2 2.86Å; R570-E639 IonicContact NH2-OE2 2.73Å; R570-E639 PolarHBondContact NH2-OE2 2.99Å; I636-E639 CarbonylContact O-C 3.57Å; I636-E639 WeakPolarHBondContact O-CA 3.24Å; I636-E639 WeakPolarHBondContact O-CB 3.17Å; I636-E639 PolarHBondContact O-N 2.73Å; E639-T642 WeakPolarHBondContact CA-OG1 3.39Å; E639-T642 PolarHBondContact O-OG1 3.03Å; E639-T643 WeakPolarHBondContact O-CB 3.35Å; E639-T643 PolarHBondContact O-N 2.78Å; E639-T643 PolarHBondContact O-OG1 2.95Å
640F92.4Very high85.2Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-70.2-41.3175.9-156.9-82.3000111.2N410 F567 I636 E638 T643 F644 K700 V703 Y704 M757N410-F640 HydrophobicContact CB-CD1 3.8Å; N410-F640 HydrophobicContact CB-CE1 4.44Å; N410-F640 HydrophobicContact CB-CG 4.5Å; N410-F640 WeakPolarHBondContact O-CE1 3.33Å; F567-F640 HydrophobicContact CE1-CB 4.19Å; F567-F640 AromaticContact CE1-CD2 3.86Å; F567-F640 HydrophobicContact CE1-CD2 3.86Å; F567-F640 HydrophobicContact CZ-CB 4.39Å; F567-F640 HydrophobicContact CZ-CD2 4.08Å; I636-F640 PolarHBondContact O-N 3.4Å; E638-F640 VanDerWaalsContact C-N 3.33Å; E638-F640 PolarHBondContact O-N 3.33Å; F640-T643 PolarHBondContact O-N 2.68Å; F640-F644 HydrophobicContact CD1-CD2 4.08Å; F640-F644 HydrophobicContact CD2-CD2 4.13Å; F640-F644 HydrophobicContact CD2-CE2 4.29Å; F640-F644 HydrophobicContact CE1-CB 4.3Å; F640-F644 AromaticContact CE1-CD2 3.76Å; F640-F644 HydrophobicContact CE1-CD2 3.76Å; F640-F644 HydrophobicContact CE1-CG 4.41Å; F640-F644 AromaticContact CE2-CD2 3.82Å; F640-F644 HydrophobicContact CE2-CD2 3.82Å; F640-F644 AromaticContact CE2-CE2 3.83Å; F640-F644 HydrophobicContact CE2-CE2 3.83Å; F640-F644 HydrophobicContact CG-CD2 4.26Å; F640-F644 AromaticContact CZ-CD2 3.62Å; F640-F644 HydrophobicContact CZ-CD2 3.62Å; F640-F644 AromaticContact CZ-CE2 3.96Å; F640-F644 HydrophobicContact CZ-CE2 3.96Å; F640-F644 HydrophobicContact CZ-CG 4.49Å; F640-F644 PolarHBondContact O-N 3.05Å; F640-K700 HydrophobicContact CE1-CB 4.16Å; F640-K700 HydrophobicContact CE1-CD 4.46Å; F640-K700 HydrophobicContact CE1-CG 4.23Å; F640-K700 HydrophobicContact CZ-CB 3.92Å; F640-K700 HydrophobicContact CZ-CG 4.44Å; F640-V703 HydrophobicContact CE2-CG1 4.14Å; F640-Y704 HydrophobicContact CD1-CD2 4.03Å; F640-Y704 HydrophobicContact CD2-CD2 4.08Å; F640-Y704 HydrophobicContact CE1-CD2 4.26Å; F640-Y704 HydrophobicContact CE1-CG 4.46Å; F640-Y704 HydrophobicContact CE2-CD2 4.31Å; F640-Y704 AromaticContact CG-CD2 3.94Å; F640-Y704 HydrophobicContact CG-CD2 3.94Å; F640-Y704 HydrophobicContact CZ-CD2 4.4Å; F640-Y704 HydrophobicContact CZ-CG 4.5Å; F640-M757 HydrophobicContact CD2-CE 4.05Å; F640-M757 HydrophobicContact CE2-CE 4.04Å
641R88.9Confident84.1Confident65 Ų6533.1 Ų33.125%0.24518%0.184CC..Hα-helixtrans-66.5-39.4175.6-175.2178.558.3107.114.6112.5N410 K465 F467 D637 E638 P645N410-R641 WeakPolarHBondContact OD1-CB 3.47Å; K465-R641 VanDerWaalsContact O-CD 3.28Å; K465-R641 WeakPolarHBondContact O-CD 3.37Å; K465-R641 PolarHBondContact O-NE 2.87Å; K465-R641 VanDerWaalsContact O-NE 3.14Å; F467-R641 PolarHBondContact O-NH1 2.95Å; D637-R641 WeakPolarHBondContact O-CB 3.35Å; D637-R641 PolarHBondContact O-N 2.82Å; E638-R641 PolarHBondContact O-N 2.76Å; R641-P645 WeakPolarHBondContact O-CA 3.35Å; R641-P645 WeakPolarHBondContact O-CB 3.4Å
642T88.1Confident83.1Confident62 Ų6235.6 Ų35.638%0.3820%0.2SC..Hα-helixtrans-70-41.4174.352.80000111.7E638 E639 G651 P652E638-T642 WeakPolarHBondContact O-CG2 3.28Å; E638-T642 PolarHBondContact O-N 2.85Å; E638-T642 PolarHBondContact O-OG1 2.78Å; E639-T642 WeakPolarHBondContact CA-OG1 3.39Å; E639-T642 PolarHBondContact O-OG1 3.03Å; T642-G651 VanDerWaalsContact O-CA 3.24Å; T642-G651 WeakPolarHBondContact O-CA 3.34Å; T642-P652 WeakPolarHBondContact O-CD 3.42Å
643T89.3Confident82Confident3 Ų335.7 Ų35.72%0.01820%0.201CC..Hα-helixtrans-66.7-45.8-179.9-60.30000112.5I563 F567 E639 F640 F653I563-T643 HydrophobicContact CG2-CG2 3.8Å; F567-T643 HydrophobicContact CE2-CG2 4.01Å; F567-T643 WeakPolarHBondContact CE2-OG1 3.37Å; F567-T643 HydrophobicContact CZ-CG2 4.38Å; E639-T643 WeakPolarHBondContact O-CB 3.35Å; E639-T643 PolarHBondContact O-N 2.78Å; E639-T643 PolarHBondContact O-OG1 2.95Å; F640-T643 PolarHBondContact O-N 2.68Å; T643-F653 HydrophobicContact CG2-CD2 3.47Å; T643-F653 VanDerWaalsContact CG2-CD2 3.47Å; T643-F653 HydrophobicContact CG2-CE2 3.84Å
644F88.3Confident81.1Confident10 Ų1036.8 Ų36.84%0.04420%0.204CC..SBendtrans-129.264.8-173.7-50-78.5000112.8F640 F653 I696 K700 L761 L764F640-F644 HydrophobicContact CD1-CD2 4.08Å; F640-F644 HydrophobicContact CD2-CD2 4.13Å; F640-F644 HydrophobicContact CD2-CE2 4.29Å; F640-F644 HydrophobicContact CE1-CB 4.3Å; F640-F644 AromaticContact CE1-CD2 3.76Å; F640-F644 HydrophobicContact CE1-CD2 3.76Å; F640-F644 HydrophobicContact CE1-CG 4.41Å; F640-F644 AromaticContact CE2-CD2 3.82Å; F640-F644 HydrophobicContact CE2-CD2 3.82Å; F640-F644 AromaticContact CE2-CE2 3.83Å; F640-F644 HydrophobicContact CE2-CE2 3.83Å; F640-F644 HydrophobicContact CG-CD2 4.26Å; F640-F644 AromaticContact CZ-CD2 3.62Å; F640-F644 HydrophobicContact CZ-CD2 3.62Å; F640-F644 AromaticContact CZ-CE2 3.96Å; F640-F644 HydrophobicContact CZ-CE2 3.96Å; F640-F644 HydrophobicContact CZ-CG 4.49Å; F640-F644 PolarHBondContact O-N 3.05Å; F644-F653 HydrophobicContact CD1-CB 4.37Å; F644-F653 HydrophobicContact CD1-CD2 4.31Å; F644-F653 HydrophobicContact CD1-CG 4.35Å; F644-F653 HydrophobicContact CE1-CB 4.15Å; F644-F653 HydrophobicContact CE1-CD1 4.08Å; F644-F653 AromaticContact CE1-CD2 3.51Å; F644-F653 HydrophobicContact CE1-CD2 3.51Å; F644-F653 HydrophobicContact CE1-CE1 4.3Å; F644-F653 AromaticContact CE1-CE2 3.74Å; F644-F653 HydrophobicContact CE1-CE2 3.74Å; F644-F653 AromaticContact CE1-CG 3.67Å; F644-F653 HydrophobicContact CE1-CG 3.67Å; F644-F653 HydrophobicContact CE1-CZ 4.12Å; F644-F653 AromaticContact CZ-CD2 3.78Å; F644-F653 HydrophobicContact CZ-CD2 3.78Å; F644-F653 AromaticContact CZ-CE2 3.57Å; F644-F653 HydrophobicContact CZ-CE2 3.57Å; F644-F653 HydrophobicContact CZ-CG 4.36Å; F644-F653 HydrophobicContact CZ-CZ 4.01Å; F644-I696 HydrophobicContact CD1-CG2 3.82Å; F644-I696 HydrophobicContact CE1-CG2 3.96Å; F644-K700 HydrophobicContact CB-CB 4.43Å; F644-K700 HydrophobicContact CB-CD 3.66Å; F644-K700 HydrophobicContact CD1-CB 4.46Å; F644-K700 HydrophobicContact CG-CB 4.27Å; F644-K700 HydrophobicContact CG-CD 4.39Å; F644-L761 HydrophobicContact CE2-CD1 4.4Å; F644-L761 HydrophobicContact CZ-CD1 3.96Å; F644-L764 HydrophobicContact CE1-CD2 4.22Å; F644-L764 HydrophobicContact CZ-CD2 4.28Å
645P83.6Confident80.5Confident26 Ų2635.6 Ų35.617%0.16921%0.205CC..  trans-68.1141.9-17628-36.1000113.1R641 K649R641-P645 WeakPolarHBondContact O-CA 3.35Å; R641-P645 WeakPolarHBondContact O-CB 3.4Å; P645-K649 WeakPolarHBondContact CG-O 3.31Å
646N81.7Confident79.8Confident20 Ų2036.9 Ų36.911%0.10721%0.212CC..SBendtrans-84.5-30.5176.6-65.4-3.6000112.7G409 C414 R415 G648 K700G409-N646 PolarHBondContact O-ND2 2.89Å; C414-N646 PolarHBondContact N-ND2 2.85Å; C414-N646 WeakPolarHBondContact O-CB 3.38Å; C414-N646 PolarHBondContact O-ND2 2.93Å; R415-N646 HydrophobicContact CG-CB 4.48Å; R415-N646 VanDerWaalsContact CG-O 3.31Å; R415-N646 WeakPolarHBondContact CG-O 3.39Å; N646-G648 PolarHBondContact O-N 3.38Å; N646-K700 VanDerWaalsContact OD1-CE 3.22Å; N646-K700 WeakPolarHBondContact OD1-CE 3.4Å; N646-K700 PolarHBondContact OD1-NZ 3.26Å
647D66.7Low79.1Confident39 Ų3936.8 Ų36.821%0.20921%0.211CC..SBendtrans-74.827.9-17069.9-7.1000114.8S468 K649S468-D647 WeakPolarHBondContact CB-OD2 3.48Å; S468-D647 PolarHBondContact OG-OD2 2.98Å; D647-K649 PolarHBondContact O-N 2.94Å; D647-K649 VanDerWaalsContact O-N 3.07Å; D647-K649 WeakPolarHBondContact OD1-CB 3.44Å; D647-K649 WeakPolarHBondContact OD1-CD 3.24Å; D647-K649 WeakPolarHBondContact OD1-CG 3.47Å; D647-K649 WeakPolarHBondContact OD2-CD 3.45Å; D647-K649 WeakPolarHBondContact OD2-CE 3.25Å; D647-K649 IonicContact OD2-NZ 2.63Å; D647-K649 PolarHBondContact OD2-NZ 3.5Å
648G61.6Low78.6Confident36 Ų3641 Ų4137%0.37123%0.228SC..SBendtrans76.4-16.6176.800000115.3N646 K654N646-G648 PolarHBondContact O-N 3.38Å; G648-K654 PolarHBondContact O-NZ 2.89Å
649K61.2Low78.2Confident84 Ų8438.2 Ų38.237%0.36523%0.23SC..  trans-63.7157.4-179.5-66172.5-172.3142.40112.4E470 P645 D647 G651E470-K649 IonicContact OE1-NZ 2.65Å; E470-K649 PolarHBondContact OE1-NZ 3.14Å; E470-K649 WeakPolarHBondContact OE2-CE 3.38Å; E470-K649 IonicContact OE2-NZ 2.73Å; E470-K649 PolarHBondContact OE2-NZ 2.62Å; P645-K649 WeakPolarHBondContact CG-O 3.31Å; D647-K649 PolarHBondContact O-N 2.94Å; D647-K649 VanDerWaalsContact O-N 3.07Å; D647-K649 WeakPolarHBondContact OD1-CB 3.44Å; D647-K649 WeakPolarHBondContact OD1-CD 3.24Å; D647-K649 WeakPolarHBondContact OD1-CG 3.47Å; D647-K649 WeakPolarHBondContact OD2-CD 3.45Å; D647-K649 WeakPolarHBondContact OD2-CE 3.25Å; D647-K649 IonicContact OD2-NZ 2.63Å; D647-K649 PolarHBondContact OD2-NZ 3.5Å; K649-G651 PolarHBondContact O-N 3.49Å
650C59Low77.9Confident81 Ų8136.4 Ų36.455%0.54722%0.222SC..  trans-87.990.7177.2-66.50000110.8K654C650-K654 HydrophobicContact CB-CG 4.28Å
651G68.3Low77.6Confident6 Ų638.2 Ų38.26%0.06223%0.234CC..  trans-68.9163.3163.100000111.5T642 K649 F653 K654 G655T642-G651 VanDerWaalsContact O-CA 3.24Å; T642-G651 WeakPolarHBondContact O-CA 3.34Å; K649-G651 PolarHBondContact O-N 3.49Å; G651-F653 PolarHBondContact O-N 3.39Å; G651-F653 VanDerWaalsContact O-N 3.13Å; G651-K654 CarbonylContact O-C 3.59Å; G651-K654 WeakPolarHBondContact O-CA 3.4Å; G651-K654 PolarHBondContact O-N 2.77Å; G651-G655 PolarHBondContact O-N 3.44Å
652P73.9Confident77.4Confident62 Ų6235.1 Ų35.140%0.40322%0.223SC..Hα-helixtrans-39.3-52.4-174.6-35.935.5000116.6I563 T642 G655 V656I563-P652 HydrophobicContact CD1-CB 3.6Å; I563-P652 HydrophobicContact CG1-CB 4.33Å; T642-P652 WeakPolarHBondContact O-CD 3.42Å; P652-G655 PolarHBondContact O-N 3.24Å; P652-V656 VanDerWaalsContact O-CB 3.32Å; P652-V656 WeakPolarHBondContact O-CB 3.33Å; P652-V656 VanDerWaalsContact O-CG2 3.23Å; P652-V656 WeakPolarHBondContact O-CG2 3.43Å; P652-V656 PolarHBondContact O-N 3.25Å
653F72.5Confident77.1Confident3 Ų332.8 Ų32.81%0.01321%0.208CC..Hα-helixtrans-59.2-50.7176.5-93.7-101.4000112.3M560 I563 T643 F644 G651 V656 I657 I696 L761 M765M560-F653 HydrophobicContact CE-CD1 3.86Å; M560-F653 HydrophobicContact CE-CE1 3.8Å; M560-F653 HydrophobicContact CG-CE1 4.04Å; M560-F653 HydrophobicContact CG-CZ 4.21Å; M560-F653 HydrophobicContact SD-CE1 4.15Å; I563-F653 HydrophobicContact CB-CE2 4.47Å; I563-F653 HydrophobicContact CD1-CD2 3.82Å; I563-F653 HydrophobicContact CD1-CE2 3.96Å; I563-F653 HydrophobicContact CG2-CE2 3.97Å; T643-F653 HydrophobicContact CG2-CD2 3.47Å; T643-F653 VanDerWaalsContact CG2-CD2 3.47Å; T643-F653 HydrophobicContact CG2-CE2 3.84Å; F644-F653 HydrophobicContact CD1-CB 4.37Å; F644-F653 HydrophobicContact CD1-CD2 4.31Å; F644-F653 HydrophobicContact CD1-CG 4.35Å; F644-F653 HydrophobicContact CE1-CB 4.15Å; F644-F653 HydrophobicContact CE1-CD1 4.08Å; F644-F653 AromaticContact CE1-CD2 3.51Å; F644-F653 HydrophobicContact CE1-CD2 3.51Å; F644-F653 HydrophobicContact CE1-CE1 4.3Å; F644-F653 AromaticContact CE1-CE2 3.74Å; F644-F653 HydrophobicContact CE1-CE2 3.74Å; F644-F653 AromaticContact CE1-CG 3.67Å; F644-F653 HydrophobicContact CE1-CG 3.67Å; F644-F653 HydrophobicContact CE1-CZ 4.12Å; F644-F653 AromaticContact CZ-CD2 3.78Å; F644-F653 HydrophobicContact CZ-CD2 3.78Å; F644-F653 AromaticContact CZ-CE2 3.57Å; F644-F653 HydrophobicContact CZ-CE2 3.57Å; F644-F653 HydrophobicContact CZ-CG 4.36Å; F644-F653 HydrophobicContact CZ-CZ 4.01Å; G651-F653 PolarHBondContact O-N 3.39Å; G651-F653 VanDerWaalsContact O-N 3.13Å; F653-V656 PolarHBondContact O-N 2.78Å; F653-I657 WeakPolarHBondContact O-CD1 3.3Å; F653-I657 VanDerWaalsContact O-CG1 3.28Å; F653-I657 WeakPolarHBondContact O-CG1 3.4Å; F653-I657 PolarHBondContact O-N 3.39Å; F653-I696 HydrophobicContact CD1-CD1 4.28Å; F653-L761 HydrophobicContact CZ-CD1 4.34Å; F653-M765 HydrophobicContact CE1-CG 4.06Å; F653-M765 HydrophobicContact CE2-CE 3.94Å; F653-M765 HydrophobicContact CZ-CE 3.54Å; F653-M765 HydrophobicContact CZ-CG 3.69Å; F653-M765 HydrophobicContact CZ-SD 4.47Å
654K74.1Confident76.4Confident44 Ų4434.9 Ų34.919%0.19122%0.221CC..Hα-helixtrans-64-43-179.5176.8170.3175.7-170.40111.3G648 C650 G651 I657 Y658 N693G648-K654 PolarHBondContact O-NZ 2.89Å; C650-K654 HydrophobicContact CB-CG 4.28Å; G651-K654 CarbonylContact O-C 3.59Å; G651-K654 WeakPolarHBondContact O-CA 3.4Å; G651-K654 PolarHBondContact O-N 2.77Å; K654-I657 PolarHBondContact O-N 3.3Å; K654-Y658 HydrophobicContact CD-CD2 4.33Å; K654-Y658 HydrophobicContact CD-CE2 4.14Å; K654-Y658 HydrophobicContact CG-CD2 3.61Å; K654-Y658 HydrophobicContact CG-CE2 3.81Å; K654-Y658 WeakPolarHBondContact O-CD2 3.49Å; K654-Y658 PolarHBondContact O-N 2.73Å; K654-N693 VanDerWaalsContact CG-OD1 3.3Å; K654-N693 WeakPolarHBondContact CG-OD1 3.29Å
655G78.6Confident76Confident31 Ų3142.5 Ų42.532%0.3225%0.254SS..Hα-helixtrans-64.2-42178.800000112.8G651 P652 I657 G659G651-G655 PolarHBondContact O-N 3.44Å; P652-G655 PolarHBondContact O-N 3.24Å; G655-I657 VanDerWaalsContact C-N 3.32Å; G655-I657 PolarHBondContact O-N 2.93Å; G655-G659 WeakPolarHBondContact O-CA 3.07Å; G655-G659 PolarHBondContact O-N 2.64Å
656V79.8Confident75.7Confident37 Ų3748.3 Ų48.322%0.22428%0.279CS..Hα-helixtrans-65.2-35.6174.6167.50000111.6I556 E559 P652 F653 F660I556-V656 HydrophobicContact CB-CG1 3.91Å; I556-V656 HydrophobicContact CG1-CG1 3.7Å; I556-V656 HydrophobicContact CG2-CG1 3.77Å; E559-V656 HydrophobicContact CB-CG2 3.91Å; E559-V656 HydrophobicContact CG-CG2 4.04Å; P652-V656 VanDerWaalsContact O-CB 3.32Å; P652-V656 WeakPolarHBondContact O-CB 3.33Å; P652-V656 VanDerWaalsContact O-CG2 3.23Å; P652-V656 WeakPolarHBondContact O-CG2 3.43Å; P652-V656 PolarHBondContact O-N 3.25Å; F653-V656 PolarHBondContact O-N 2.78Å; V656-F660 PolarHBondContact O-N 2.69Å
657I80.8Confident75.5Confident0 Ų048.4 Ų48.40%028%0.279CS..Hα-helixtrans-76.2-43.4178.6-68.4165.1000112.4F653 K654 G655 G659 F660 K689 L692 I696 V768F653-I657 WeakPolarHBondContact O-CD1 3.3Å; F653-I657 VanDerWaalsContact O-CG1 3.28Å; F653-I657 WeakPolarHBondContact O-CG1 3.4Å; F653-I657 PolarHBondContact O-N 3.39Å; K654-I657 PolarHBondContact O-N 3.3Å; G655-I657 VanDerWaalsContact C-N 3.32Å; G655-I657 PolarHBondContact O-N 2.93Å; I657-G659 VanDerWaalsContact C-N 3.25Å; I657-G659 PolarHBondContact O-N 3.05Å; I657-F660 HydrophobicContact CG2-CE1 4.48Å; I657-F660 WeakPolarHBondContact O-CD1 3.34Å; I657-K689 HydrophobicContact CG2-CB 4.4Å; I657-K689 HydrophobicContact CG2-CG 4.27Å; I657-L692 HydrophobicContact CG2-CB 4.32Å; I657-L692 HydrophobicContact CG2-CD1 4.24Å; I657-I696 HydrophobicContact CD1-CD1 3.16Å; I657-V768 HydrophobicContact CD1-CG1 3.94Å
658Y81Confident76.2Confident94 Ų9449.9 Ų49.937%0.36928%0.284SS..Hα-helixtrans-72.1-21.9173.4-80.3-79.2000112.9K654 K689 N693K654-Y658 HydrophobicContact CD-CD2 4.33Å; K654-Y658 HydrophobicContact CD-CE2 4.14Å; K654-Y658 HydrophobicContact CG-CD2 3.61Å; K654-Y658 HydrophobicContact CG-CE2 3.81Å; K654-Y658 WeakPolarHBondContact O-CD2 3.49Å; K654-Y658 PolarHBondContact O-N 2.73Å; Y658-K689 HydrophobicContact CD1-CB 4.4Å; Y658-K689 HydrophobicContact CD1-CD 4.34Å; Y658-K689 HydrophobicContact CE1-CB 4.21Å; Y658-N693 WeakPolarHBondContact CE2-ND2 3.28Å
659G80.8Confident77.1Confident59 Ų5954.7 Ų54.761%0.60830%0.296SS*.Hα-helixtrans-84.2-13.7178.800000115.3G655 I657G655-G659 WeakPolarHBondContact O-CA 3.07Å; G655-G659 PolarHBondContact O-N 2.64Å; I657-G659 VanDerWaalsContact C-N 3.25Å; I657-G659 PolarHBondContact O-N 3.05Å
660F84.9Confident78.1Confident3 Ų356.3 Ų56.31%0.01330%0.303CS..  trans-74.6140.7172.697.1-102.8000110.1Q552 I556 V656 I657 E685 L688 K689 L772Q552-F660 HydrophobicContact CB-CB 4.48Å; I556-F660 HydrophobicContact CD1-CB 3.79Å; I556-F660 HydrophobicContact CD1-CD1 4.15Å; I556-F660 HydrophobicContact CD1-CG 4.06Å; I556-F660 HydrophobicContact CG1-CB 4.41Å; V656-F660 PolarHBondContact O-N 2.69Å; I657-F660 HydrophobicContact CG2-CE1 4.48Å; I657-F660 WeakPolarHBondContact O-CD1 3.34Å; F660-E685 HydrophobicContact CD2-CG 4.47Å; F660-E685 HydrophobicContact CE2-CG 3.6Å; F660-E685 HydrophobicContact CZ-CG 3.86Å; F660-L688 HydrophobicContact CZ-CD2 4Å; F660-K689 HydrophobicContact CD1-CG 4.4Å; F660-K689 HydrophobicContact CE1-CD 4.48Å; F660-K689 HydrophobicContact CE1-CG 3.69Å; F660-K689 HydrophobicContact CZ-CG 4.17Å; F660-K689 WeakPolarHBondContact O-CE 3.46Å; F660-K689 PolarHBondContact O-NZ 3.5Å; F660-L772 HydrophobicContact CD1-CD1 3.65Å; F660-L772 HydrophobicContact CE1-CD1 3.48Å; F660-L772 VanDerWaalsContact CE1-CD1 3.48Å; F660-L772 HydrophobicContact CE1-CG 4.29Å; F660-L772 HydrophobicContact CE2-CD1 4.34Å; F660-L772 HydrophobicContact CG-CD1 4.23Å; F660-L772 HydrophobicContact CZ-CD1 3.86Å; F660-L772 HydrophobicContact CZ-CG 4.2Å
661S86.6Confident79.1Confident38 Ų3853 Ų5327%0.26628%0.28SS..  trans-152.3139161.9-170.80000110Q552 L663 E685Q552-S661 WeakPolarHBondContact CG-O 3.22Å; Q552-S661 PolarHBondContact NE2-O 2.9Å; S661-L663 PolarHBondContact OG-N 3.21Å; S661-E685 VanDerWaalsContact CA-OE1 3.29Å; S661-E685 WeakPolarHBondContact CA-OE1 3.39Å; S661-E685 WeakPolarHBondContact CA-OE2 3.4Å; S661-E685 WeakPolarHBondContact CB-OE1 3.47Å; S661-E685 VanDerWaalsContact OG-CD 3.28Å; S661-E685 PolarHBondContact OG-OE1 3.25Å; S661-E685 PolarHBondContact OG-OE2 2.78Å; S661-E685 VanDerWaalsContact OG-OE2 3.08Å
662I85.7Confident79.7Confident0 Ų059.6 Ų59.60%031%0.307CS..SBendtrans-92-18.3175.463.6165.7000112.1N548 L549 Q552 V681 E685 M776 I780N548-I662 HydrophobicContact CB-CB 4.21Å; N548-I662 PolarHBondContact ND2-O 2.58Å; L549-I662 HydrophobicContact CB-CG2 4.01Å; L549-I662 HydrophobicContact CD1-CG2 4.13Å; Q552-I662 HydrophobicContact CG-CG2 4.39Å; I662-V681 HydrophobicContact CD1-CG1 3.69Å; I662-V681 HydrophobicContact CG1-CG1 4.27Å; I662-E685 WeakPolarHBondContact CG1-OE2 3.41Å; I662-E685 PolarHBondContact N-OE2 3.15Å; I662-M776 HydrophobicContact CD1-CE 3.54Å; I662-M776 HydrophobicContact CG1-CE 4.09Å; I662-I780 HydrophobicContact CD1-CD1 3.7Å; I662-I780 HydrophobicContact CD1-CG1 4Å
663L80.3Confident79.8Confident12 Ų1260.6 Ų60.66%0.06331%0.309CS..  trans-98.487.3-179.8-72.8167000111.8L545 S661 L678 V681 E682L545-L663 HydrophobicContact CD2-CD2 3.68Å; L545-L663 HydrophobicContact CD2-CG 4.34Å; S661-L663 PolarHBondContact OG-N 3.21Å; L663-L678 VanDerWaalsContact CD1-O 3.28Å; L663-L678 WeakPolarHBondContact CD1-O 3.41Å; L663-L678 HydrophobicContact CD2-CB 4.16Å; L663-L678 HydrophobicContact CD2-CD2 3.67Å; L663-L678 HydrophobicContact CD2-CG 4.37Å; L663-V681 HydrophobicContact CD1-CB 4.13Å; L663-V681 HydrophobicContact CD1-CG1 3.95Å; L663-V681 HydrophobicContact CG-CG1 4.33Å; L663-E682 HydrophobicContact CD1-CB 3.62Å
664T75.8Confident80Confident48 Ų4861 Ų6129%0.29431%0.311SS..  trans-67.5153.7170.970.20000111.1E666 L667 K668T664-E666 PolarHBondContact O-N 2.97Å; T664-L667 PolarHBondContact O-N 3.15Å; T664-L667 VanDerWaalsContact O-N 3.08Å; T664-L667 WeakPolarHBondContact OG1-CG 3.39Å; T664-L667 PolarHBondContact OG1-N 3.31Å; T664-K668 PolarHBondContact O-N 3.32Å
665K78.3Confident80.5Confident170 Ų17064.6 Ų64.674%0.73933%0.329SS*.Hα-helixtrans-55.8-40174.9-65-174.8177.9-175.10111.8L667 K668 E669K665-L667 VanDerWaalsContact C-N 3.29Å; K665-L667 PolarHBondContact O-N 3.09Å; K665-K668 PolarHBondContact O-N 3.45Å; K665-K668 VanDerWaalsContact O-N 3.15Å; K665-E669 WeakPolarHBondContact O-CB 3.34Å; K665-E669 WeakPolarHBondContact O-CG 3.14Å; K665-E669 PolarHBondContact O-N 3.02Å
666E78.3Confident80.7Confident148 Ų14865 Ų6569%0.69232%0.323SS*.Hα-helixtrans-56.5-39.1176.4-58.5158171.400112.5T664 K670T664-E666 PolarHBondContact O-N 2.97Å; E666-K670 WeakPolarHBondContact O-CB 3.44Å; E666-K670 PolarHBondContact O-N 3.47Å
667L78.5Confident80.9Confident22 Ų2264.2 Ų64.212%0.11532%0.317CS..Hα-helixtrans-69.4-43.6176-71.2173.2000111.7A544 L545 N548 T664 K665 E669 K670 Y671A544-L667 HydrophobicContact CB-CD2 3.89Å; L545-L667 HydrophobicContact CD2-CD1 4.07Å; N548-L667 VanDerWaalsContact ND2-CD1 3.3Å; N548-L667 WeakPolarHBondContact ND2-CD1 3.48Å; T664-L667 PolarHBondContact O-N 3.15Å; T664-L667 VanDerWaalsContact O-N 3.08Å; T664-L667 WeakPolarHBondContact OG1-CG 3.39Å; T664-L667 PolarHBondContact OG1-N 3.31Å; K665-L667 VanDerWaalsContact C-N 3.29Å; K665-L667 PolarHBondContact O-N 3.09Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 3.27Å; L667-K670 PolarHBondContact O-N 3.29Å; L667-Y671 HydrophobicContact CB-CD2 4.48Å; L667-Y671 HydrophobicContact CD2-CD2 4.05Å; L667-Y671 HydrophobicContact CD2-CE2 3.63Å; L667-Y671 WeakPolarHBondContact O-CB 3.36Å; L667-Y671 WeakPolarHBondContact O-CD2 3.34Å; L667-Y671 PolarHBondContact O-N 2.96Å
668K79.8Confident81.1Confident70 Ų7064.6 Ų64.630%0.30432%0.319SS..Hα-helixtrans-64.5-34.6176-59.1-167.2-172.5-173.90112.2T664 K665 K672 E682T664-K668 PolarHBondContact O-N 3.32Å; K665-K668 PolarHBondContact O-N 3.45Å; K665-K668 VanDerWaalsContact O-N 3.15Å; K668-K672 WeakPolarHBondContact O-CG 3.39Å; K668-E682 IonicContact NZ-OE1 3.28Å; K668-E682 PolarHBondContact NZ-OE1 3.33Å; K668-E682 IonicContact NZ-OE2 2.8Å; K668-E682 PolarHBondContact NZ-OE2 3.37Å
669E81.8Confident81.3Confident136 Ų13661.7 Ų61.764%0.63631%0.31SS*.Hα-helixtrans-75.1-36.5176.4-73.6173.7-157.200112.7K665 L667K665-E669 WeakPolarHBondContact O-CB 3.34Å; K665-E669 WeakPolarHBondContact O-CG 3.14Å; K665-E669 PolarHBondContact O-N 3.02Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 3.27Å
670K81.4Confident81.6Confident118 Ų11859 Ų5951%0.51328%0.282SS..Hα-helixtrans-68.9-39.7175.5-173.7-174.2169.8-158.90112.3E540 E666 L667E540-K670 IonicContact OE2-NZ 3.8Å; E540-K670 PolarHBondContact OE2-NZ 2.53Å; E666-K670 WeakPolarHBondContact O-CB 3.44Å; E666-K670 PolarHBondContact O-N 3.47Å; L667-K670 PolarHBondContact O-N 3.29Å
671Y81.1Confident81.8Confident13 Ų1359 Ų595%0.05128%0.282CS..  trans-11951.2-164.1-58.5-61.2000113.8E540 V541 L667 D673 V674E540-Y671 HydrophobicContact CB-CE1 4.5Å; E540-Y671 WeakPolarHBondContact CB-OH 3.34Å; E540-Y671 PolarHBondContact OE2-OH 3.16Å; V541-Y671 HydrophobicContact CB-CE2 4.44Å; V541-Y671 HydrophobicContact CG2-CD1 3.57Å; V541-Y671 HydrophobicContact CG2-CD2 3.73Å; V541-Y671 HydrophobicContact CG2-CE1 3.66Å; V541-Y671 HydrophobicContact CG2-CE2 3.78Å; V541-Y671 HydrophobicContact CG2-CG 3.58Å; L667-Y671 HydrophobicContact CB-CD2 4.48Å; L667-Y671 HydrophobicContact CD2-CD2 4.05Å; L667-Y671 HydrophobicContact CD2-CE2 3.63Å; L667-Y671 WeakPolarHBondContact O-CB 3.36Å; L667-Y671 WeakPolarHBondContact O-CD2 3.34Å; L667-Y671 PolarHBondContact O-N 2.96Å; Y671-D673 VanDerWaalsContact C-OD1 3.24Å; Y671-D673 VanDerWaalsContact CA-OD1 3.3Å; Y671-D673 WeakPolarHBondContact CA-OD1 3.37Å; Y671-D673 PolarHBondContact O-N 3.13Å; Y671-V674 WeakPolarHBondContact O-CG2 3.47Å; Y671-V674 PolarHBondContact O-N 3.2Å
672K79.3Confident81.9Confident144 Ų14459.9 Ų59.963%0.62628%0.282SS*.G310 helixtrans-64.9-20.1176.8-62.7-170.8178.3-1690113.8K668 V674 E675K668-K672 WeakPolarHBondContact O-CG 3.39Å; K672-V674 PolarHBondContact O-N 2.71Å; K672-E675 PolarHBondContact O-N 3.34Å
673D76Confident81.9Confident83 Ų8360.2 Ų60.244%0.44428%0.284SS..G310 helixtrans-67.4-13.8174.141.9-0.9000113.8R537 Y671R537-D673 WeakPolarHBondContact CD-OD2 3.29Å; R537-D673 IonicContact CZ-OD2 2.89Å; R537-D673 IonicContact NE-OD2 2.65Å; R537-D673 IonicContact NH1-OD2 3.89Å; R537-D673 PolarHBondContact NH1-OD2 3.07Å; Y671-D673 VanDerWaalsContact C-OD1 3.24Å; Y671-D673 VanDerWaalsContact CA-OD1 3.3Å; Y671-D673 WeakPolarHBondContact CA-OD1 3.37Å; Y671-D673 PolarHBondContact O-N 3.13Å
674V78.3Confident82.3Confident12 Ų1260.3 Ų60.37%0.07328%0.284CS..G310 helixtrans-126.233.1173.4-65.70000113I538 V541 Y671 K672 L676 Q677 L678I538-V674 HydrophobicContact CG1-CG1 4.41Å; V541-V674 HydrophobicContact CG1-CG2 4.35Å; V541-V674 HydrophobicContact CG2-CG2 3.96Å; Y671-V674 WeakPolarHBondContact O-CG2 3.47Å; Y671-V674 PolarHBondContact O-N 3.2Å; K672-V674 PolarHBondContact O-N 2.71Å; V674-L676 VanDerWaalsContact C-N 3.32Å; V674-L676 PolarHBondContact O-N 3.43Å; V674-Q677 HydrophobicContact CB-CB 4.42Å; V674-Q677 PolarHBondContact O-N 2.64Å; V674-Q677 VanDerWaalsContact O-N 3.15Å; V674-Q677 PolarHBondContact O-OE1 3.46Å; V674-L678 HydrophobicContact CG2-CD1 4.36Å; V674-L678 HydrophobicContact CG2-CG 4.24Å; V674-L678 WeakPolarHBondContact O-CG 3.35Å; V674-L678 PolarHBondContact O-N 3.19Å; V674-L678 VanDerWaalsContact O-N 3.08Å
675E83.6Confident83Confident119 Ų11958.2 Ų58.256%0.55627%0.271SS*.Hα-helixtrans-55.4-40.5-175-179.4160.8-139.800113.5K672 Q677 L678 I679K672-E675 PolarHBondContact O-N 3.34Å; E675-Q677 PolarHBondContact O-N 3.01Å; E675-L678 PolarHBondContact O-N 3.35Å; E675-I679 HydrophobicContact CG-CD1 3.8Å; E675-I679 HydrophobicContact CG-CG1 4.41Å; E675-I679 WeakPolarHBondContact O-CB 3.46Å; E675-I679 VanDerWaalsContact O-CG1 3.26Å; E675-I679 WeakPolarHBondContact O-CG1 3.49Å; E675-I679 PolarHBondContact O-N 2.92Å
676L82.8Confident83.3Confident39 Ų3953.9 Ų53.920%0.20425%0.253CS..Hα-helixtrans-63.5-40.4178.3-67.9171.9000112.9L531 V674 I679 S680 L798L531-L676 HydrophobicContact CD1-CD1 3.8Å; V674-L676 VanDerWaalsContact C-N 3.32Å; V674-L676 PolarHBondContact O-N 3.43Å; L676-I679 PolarHBondContact O-N 2.63Å; L676-S680 PolarHBondContact O-N 2.86Å; L676-L798 HydrophobicContact CD2-CD2 3.93Å
677Q83.8Confident83.6Confident21 Ų2149.3 Ų49.310%0.09823%0.23CC..Hα-helixtrans-69.5-38.3178.7-60.681.1-2.100110.2G528 V674 E675 S680 V681 S783 L784G528-Q677 PolarHBondContact O-NE2 3.3Å; V674-Q677 HydrophobicContact CB-CB 4.42Å; V674-Q677 PolarHBondContact O-N 2.64Å; V674-Q677 VanDerWaalsContact O-N 3.15Å; V674-Q677 PolarHBondContact O-OE1 3.46Å; E675-Q677 PolarHBondContact O-N 3.01Å; Q677-S680 PolarHBondContact O-N 2.75Å; Q677-V681 WeakPolarHBondContact O-CG2 3.35Å; Q677-V681 PolarHBondContact O-N 2.68Å; Q677-V681 VanDerWaalsContact O-N 3.17Å; Q677-S783 WeakPolarHBondContact CG-O 3.37Å; Q677-L784 HydrophobicContact CB-CD2 4.01Å; Q677-L784 HydrophobicContact CG-CD2 4.46Å
678L85.7Confident84.1Confident7 Ų748.5 Ų48.54%0.03723%0.226CC..Hα-helixtrans-67.5-37.6172.9-58.2179.2000112.2V541 L545 L663 V674 E675 S680 V681 E682V541-L678 HydrophobicContact CG1-CD2 4Å; L545-L678 HydrophobicContact CD1-CD2 4.3Å; L663-L678 VanDerWaalsContact CD1-O 3.28Å; L663-L678 WeakPolarHBondContact CD1-O 3.41Å; L663-L678 HydrophobicContact CD2-CB 4.16Å; L663-L678 HydrophobicContact CD2-CD2 3.67Å; L663-L678 HydrophobicContact CD2-CG 4.37Å; V674-L678 HydrophobicContact CG2-CD1 4.36Å; V674-L678 HydrophobicContact CG2-CG 4.24Å; V674-L678 WeakPolarHBondContact O-CG 3.35Å; V674-L678 PolarHBondContact O-N 3.19Å; V674-L678 VanDerWaalsContact O-N 3.08Å; E675-L678 PolarHBondContact O-N 3.35Å; L678-S680 VanDerWaalsContact C-N 3.34Å; L678-V681 PolarHBondContact O-N 3.01Å; L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 3.03Å
679I85.4Confident84.5Confident33 Ų3345.5 Ų45.517%0.16921%0.213CC..Hα-helixtrans-64.1-37.8174.3-75.7168.2000111.7S524 E675 L676 E682 S683S524-I679 WeakPolarHBondContact OG-CG2 3.45Å; E675-I679 HydrophobicContact CG-CD1 3.8Å; E675-I679 HydrophobicContact CG-CG1 4.41Å; E675-I679 WeakPolarHBondContact O-CB 3.46Å; E675-I679 VanDerWaalsContact O-CG1 3.26Å; E675-I679 WeakPolarHBondContact O-CG1 3.49Å; E675-I679 PolarHBondContact O-N 2.92Å; L676-I679 PolarHBondContact O-N 2.63Å; I679-E682 PolarHBondContact O-N 3.5Å; I679-S683 WeakPolarHBondContact O-CB 3.39Å; I679-S683 PolarHBondContact O-N 2.76Å; I679-S683 PolarHBondContact O-OG 3.23Å
680S86.8Confident84.6Confident4 Ų441.2 Ų41.23%0.02819%0.194CC..Hα-helixtrans-61.8-50.2174.3-170.70000111.1G521 L525 L676 Q677 L678 E682 S683 E684G521-S680 PolarHBondContact O-OG 3.18Å; L525-S680 WeakPolarHBondContact CB-OG 3.41Å; L676-S680 PolarHBondContact O-N 2.86Å; Q677-S680 PolarHBondContact O-N 2.75Å; L678-S680 VanDerWaalsContact C-N 3.34Å; S680-E682 VanDerWaalsContact C-N 3.35Å; S680-E682 PolarHBondContact O-N 3.11Å; S680-S683 PolarHBondContact O-N 2.84Å; S680-S683 VanDerWaalsContact O-N 3.16Å; S680-E684 PolarHBondContact O-N 3.33Å
681V88.1Confident84.7Confident1 Ų138.8 Ų38.81%0.00619%0.192CC..Hα-helixtrans-61.5-39177.4174.90000112.1I662 L663 Q677 L678 E684 E685 M776 I780I662-V681 HydrophobicContact CD1-CG1 3.69Å; I662-V681 HydrophobicContact CG1-CG1 4.27Å; L663-V681 HydrophobicContact CD1-CB 4.13Å; L663-V681 HydrophobicContact CD1-CG1 3.95Å; L663-V681 HydrophobicContact CG-CG1 4.33Å; Q677-V681 WeakPolarHBondContact O-CG2 3.35Å; Q677-V681 PolarHBondContact O-N 2.68Å; Q677-V681 VanDerWaalsContact O-N 3.17Å; L678-V681 PolarHBondContact O-N 3.01Å; V681-E684 PolarHBondContact O-N 3.35Å; V681-E685 WeakPolarHBondContact O-CB 3.39Å; V681-E685 PolarHBondContact O-N 3.03Å; V681-M776 HydrophobicContact CG1-CE 3.87Å; V681-I780 HydrophobicContact CG1-CG1 4.37Å
682E88.5Confident85.1Confident57 Ų5738.3 Ų38.327%0.26619%0.19SC..Hα-helixtrans-63.8-40174.5177.5164.7-13300112.6L663 K668 L678 I679 S680 E684 E685 E686L663-E682 HydrophobicContact CD1-CB 3.62Å; K668-E682 IonicContact NZ-OE1 3.28Å; K668-E682 PolarHBondContact NZ-OE1 3.33Å; K668-E682 IonicContact NZ-OE2 2.8Å; K668-E682 PolarHBondContact NZ-OE2 3.37Å; L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 3.03Å; I679-E682 PolarHBondContact O-N 3.5Å; S680-E682 VanDerWaalsContact C-N 3.35Å; S680-E682 PolarHBondContact O-N 3.11Å; E682-E684 VanDerWaalsContact C-N 3.35Å; E682-E685 WeakPolarHBondContact O-CB 3.44Å; E682-E685 PolarHBondContact O-N 2.75Å; E682-E686 PolarHBondContact O-N 2.88Å; E682-E686 VanDerWaalsContact O-N 3.11Å
683S86.1Confident85.3Confident8 Ų832.1 Ų32.16%0.05616%0.164CC..Hα-helixtrans-70.7-34-178.9-55.30000111.6G521 I679 S680 R687G521-S683 VanDerWaalsContact CA-CB 3.49Å; I679-S683 WeakPolarHBondContact O-CB 3.39Å; I679-S683 PolarHBondContact O-N 2.76Å; I679-S683 PolarHBondContact O-OG 3.23Å; S680-S683 PolarHBondContact O-N 2.84Å; S680-S683 VanDerWaalsContact O-N 3.16Å; S683-R687 WeakPolarHBondContact O-CB 3.11Å; S683-R687 PolarHBondContact O-N 2.79Å; S683-R687 VanDerWaalsContact O-N 3.16Å
684E88.2Confident85.6Confident14 Ų1433.6 Ų33.67%0.06517%0.166CC..Hα-helixtrans-70.2-39.2169.7-164.970.5-10100111.9K157 S680 V681 E682 E686 R687 L688 T775 S779K157-E684 WeakPolarHBondContact CE-OE2 3.32Å; K157-E684 IonicContact NZ-OE2 3.55Å; K157-E684 PolarHBondContact NZ-OE2 3.19Å; S680-E684 PolarHBondContact O-N 3.33Å; V681-E684 PolarHBondContact O-N 3.35Å; E682-E684 VanDerWaalsContact C-N 3.35Å; E684-E686 PolarHBondContact O-N 3.44Å; E684-R687 VanDerWaalsContact CD-NH2 3.26Å; E684-R687 PolarHBondContact O-N 3.21Å; E684-R687 IonicContact OE1-CZ 3.08Å; E684-R687 IonicContact OE1-NE 2.7Å; E684-R687 PolarHBondContact OE1-NE 3.48Å; E684-R687 IonicContact OE1-NH2 2.93Å; E684-R687 PolarHBondContact OE1-NH2 2.88Å; E684-R687 IonicContact OE2-CZ 3.24Å; E684-R687 IonicContact OE2-NE 3.64Å; E684-R687 IonicContact OE2-NH2 3.78Å; E684-R687 PolarHBondContact OE2-NH2 2.98Å; E684-L688 VanDerWaalsContact O-CB 3.22Å; E684-L688 WeakPolarHBondContact O-CB 3.39Å; E684-L688 PolarHBondContact O-N 3.02Å; E684-T775 HydrophobicContact CG-CG2 4.09Å; E684-S779 WeakPolarHBondContact CB-OG 3.44Å
685E90.4Very high85.9Confident3 Ų335.2 Ų35.21%0.01418%0.178CC..Hα-helixtrans-56.6-47177.4-167.5-174.9105.300111.6F660 S661 I662 V681 E682 K689 M776F660-E685 HydrophobicContact CD2-CG 4.47Å; F660-E685 HydrophobicContact CE2-CG 3.6Å; F660-E685 HydrophobicContact CZ-CG 3.86Å; S661-E685 VanDerWaalsContact CA-OE1 3.29Å; S661-E685 WeakPolarHBondContact CA-OE1 3.39Å; S661-E685 WeakPolarHBondContact CA-OE2 3.4Å; S661-E685 WeakPolarHBondContact CB-OE1 3.47Å; S661-E685 VanDerWaalsContact OG-CD 3.28Å; S661-E685 PolarHBondContact OG-OE1 3.25Å; S661-E685 PolarHBondContact OG-OE2 2.78Å; S661-E685 VanDerWaalsContact OG-OE2 3.08Å; I662-E685 WeakPolarHBondContact CG1-OE2 3.41Å; I662-E685 PolarHBondContact N-OE2 3.15Å; V681-E685 WeakPolarHBondContact O-CB 3.39Å; V681-E685 PolarHBondContact O-N 3.03Å; E682-E685 WeakPolarHBondContact O-CB 3.44Å; E682-E685 PolarHBondContact O-N 2.75Å; E685-K689 VanDerWaalsContact O-CG 3.31Å; E685-K689 WeakPolarHBondContact O-CG 3.39Å; E685-K689 PolarHBondContact O-N 2.83Å; E685-K689 IonicContact OE1-NZ 3.34Å; E685-K689 PolarHBondContact OE1-NZ 2.74Å; E685-M776 HydrophobicContact CB-CE 3.86Å; E685-M776 HydrophobicContact CB-SD 4.36Å; E685-M776 HydrophobicContact CG-CE 4.27Å
686E86.5Confident86.2Confident79 Ų7930.1 Ų30.137%0.36915%0.154SC..Hα-helixtrans-68.8-41.8175.8-69.5-56.1132.300112.8E682 E684 L688 K689 I690E682-E686 PolarHBondContact O-N 2.88Å; E682-E686 VanDerWaalsContact O-N 3.11Å; E684-E686 PolarHBondContact O-N 3.44Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 3.33Å; E686-K689 WeakPolarHBondContact O-CB 3.46Å; E686-K689 PolarHBondContact O-N 3.32Å; E686-K689 WeakPolarHBondContact OE1-CD 3.45Å; E686-K689 IonicContact OE1-NZ 3.45Å; E686-K689 PolarHBondContact OE1-NZ 3.36Å; E686-I690 VanDerWaalsContact O-CD1 3.32Å; E686-I690 WeakPolarHBondContact O-CD1 3.47Å; E686-I690 WeakPolarHBondContact O-CG1 3.47Å; E686-I690 PolarHBondContact O-N 3.36Å; E686-I690 VanDerWaalsContact O-N 3.1Å
687R84.8Confident86.2Confident53 Ų5332 Ų3220%0.216%0.159CC..Hα-helixtrans-58.9-42.7175.9-174168.775.7156.9-8.2111.6K157 N160 S683 E684 I690 S691K157-R687 PolarHBondContact O-NH1 3.46Å; N160-R687 PolarHBondContact O-NH1 2.74Å; N160-R687 VanDerWaalsContact O-NH1 3.11Å; S683-R687 WeakPolarHBondContact O-CB 3.11Å; S683-R687 PolarHBondContact O-N 2.79Å; S683-R687 VanDerWaalsContact O-N 3.16Å; E684-R687 VanDerWaalsContact CD-NH2 3.26Å; E684-R687 PolarHBondContact O-N 3.21Å; E684-R687 IonicContact OE1-CZ 3.08Å; E684-R687 IonicContact OE1-NE 2.7Å; E684-R687 PolarHBondContact OE1-NE 3.48Å; E684-R687 IonicContact OE1-NH2 2.93Å; E684-R687 PolarHBondContact OE1-NH2 2.88Å; E684-R687 IonicContact OE2-CZ 3.24Å; E684-R687 IonicContact OE2-NE 3.64Å; E684-R687 IonicContact OE2-NH2 3.78Å; E684-R687 PolarHBondContact OE2-NH2 2.98Å; R687-I690 PolarHBondContact O-N 2.89Å; R687-S691 WeakPolarHBondContact O-CB 3.46Å; R687-S691 PolarHBondContact O-N 3.03Å
688L88.1Confident86.3Confident5 Ų538.4 Ų38.43%0.02619%0.187CC..Hα-helixtrans-62.9-46.1175.5174.865.9000111.6F660 E684 E686 I690 S691 L692 T771 L772 T775 M776F660-L688 HydrophobicContact CZ-CD2 4Å; E684-L688 VanDerWaalsContact O-CB 3.22Å; E684-L688 WeakPolarHBondContact O-CB 3.39Å; E684-L688 PolarHBondContact O-N 3.02Å; E686-L688 VanDerWaalsContact C-N 3.29Å; E686-L688 PolarHBondContact O-N 3.33Å; L688-I690 VanDerWaalsContact C-N 3.27Å; L688-I690 PolarHBondContact O-N 3.12Å; L688-S691 PolarHBondContact O-N 2.92Å; L688-L692 HydrophobicContact CD1-CD1 3.85Å; L688-L692 HydrophobicContact CD1-CD2 4.22Å; L688-L692 HydrophobicContact CD1-CG 3.78Å; L688-L692 HydrophobicContact CG-CD1 3.85Å; L688-L692 HydrophobicContact CG-CG 4.2Å; L688-L692 WeakPolarHBondContact O-CB 3.05Å; L688-L692 VanDerWaalsContact O-CG 3.29Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 3.46Å; L688-T771 HydrophobicContact CD1-CG2 4.01Å; L688-L772 HydrophobicContact CD2-CB 4.38Å; L688-L772 HydrophobicContact CD2-CG 4.16Å; L688-T775 HydrophobicContact CD1-CG2 4.37Å; L688-M776 HydrophobicContact CD2-CG 3.46Å; L688-M776 VanDerWaalsContact CD2-CG 3.46Å; L688-M776 HydrophobicContact CD2-SD 3.48Å; L688-M776 WeakPolarHBondContact CD2-SD 3.03Å
689K88Confident86.4Confident6 Ų641.2 Ų41.23%0.02620%0.197CC..Hα-helixtrans-54.2-43.7175.3-73.9167.1-171.2166.20111.7I657 Y658 F660 E685 E686 N693I657-K689 HydrophobicContact CG2-CB 4.4Å; I657-K689 HydrophobicContact CG2-CG 4.27Å; Y658-K689 HydrophobicContact CD1-CB 4.4Å; Y658-K689 HydrophobicContact CD1-CD 4.34Å; Y658-K689 HydrophobicContact CE1-CB 4.21Å; F660-K689 HydrophobicContact CD1-CG 4.4Å; F660-K689 HydrophobicContact CE1-CD 4.48Å; F660-K689 HydrophobicContact CE1-CG 3.69Å; F660-K689 HydrophobicContact CZ-CG 4.17Å; F660-K689 WeakPolarHBondContact O-CE 3.46Å; F660-K689 PolarHBondContact O-NZ 3.5Å; E685-K689 VanDerWaalsContact O-CG 3.31Å; E685-K689 WeakPolarHBondContact O-CG 3.39Å; E685-K689 PolarHBondContact O-N 2.83Å; E685-K689 IonicContact OE1-NZ 3.34Å; E685-K689 PolarHBondContact OE1-NZ 2.74Å; E686-K689 WeakPolarHBondContact O-CB 3.46Å; E686-K689 PolarHBondContact O-N 3.32Å; E686-K689 WeakPolarHBondContact OE1-CD 3.45Å; E686-K689 IonicContact OE1-NZ 3.45Å; E686-K689 PolarHBondContact OE1-NZ 3.36Å; K689-N693 WeakPolarHBondContact O-CB 3.44Å; K689-N693 PolarHBondContact O-N 3.36Å; K689-N693 PolarHBondContact O-ND2 2.94Å
690I83.3Confident86.7Confident46 Ų4639.8 Ų39.824%0.23619%0.189CC..Hα-helixtrans-66.1-48.8177.9-62.5152.7000111N514 E686 R687 L688 N693 K694N514-I690 HydrophobicContact CB-CD1 4.09Å; N514-I690 VanDerWaalsContact OD1-CD1 3.27Å; N514-I690 WeakPolarHBondContact OD1-CD1 3.46Å; E686-I690 VanDerWaalsContact O-CD1 3.32Å; E686-I690 WeakPolarHBondContact O-CD1 3.47Å; E686-I690 WeakPolarHBondContact O-CG1 3.47Å; E686-I690 PolarHBondContact O-N 3.36Å; E686-I690 VanDerWaalsContact O-N 3.1Å; R687-I690 PolarHBondContact O-N 2.89Å; L688-I690 VanDerWaalsContact C-N 3.27Å; L688-I690 PolarHBondContact O-N 3.12Å; I690-N693 PolarHBondContact O-N 3Å; I690-K694 PolarHBondContact O-N 3.01Å
691S84.8Confident86.8Confident68 Ų6840.3 Ų40.348%0.47619%0.191SC..Hα-helixtrans-59.7-48.5-179.8-174.90000112.4R687 L688 N693 K694 S695R687-S691 WeakPolarHBondContact O-CB 3.46Å; R687-S691 PolarHBondContact O-N 3.03Å; L688-S691 PolarHBondContact O-N 2.92Å; S691-N693 VanDerWaalsContact C-N 3.3Å; S691-N693 PolarHBondContact O-N 2.76Å; S691-K694 PolarHBondContact O-N 3.28Å; S691-K694 VanDerWaalsContact O-N 3.15Å; S691-S695 PolarHBondContact O-N 2.94Å
692L88.4Confident87Confident3 Ų343.9 Ų43.92%0.01621%0.213CC..Hα-helixtrans-58.3-41.5175.8-69.3175.4000111.6I657 L688 S695 I696 V768 T771 L772I657-L692 HydrophobicContact CG2-CB 4.32Å; I657-L692 HydrophobicContact CG2-CD1 4.24Å; L688-L692 HydrophobicContact CD1-CD1 3.85Å; L688-L692 HydrophobicContact CD1-CD2 4.22Å; L688-L692 HydrophobicContact CD1-CG 3.78Å; L688-L692 HydrophobicContact CG-CD1 3.85Å; L688-L692 HydrophobicContact CG-CG 4.2Å; L688-L692 WeakPolarHBondContact O-CB 3.05Å; L688-L692 VanDerWaalsContact O-CG 3.29Å; L688-L692 WeakPolarHBondContact O-CG 3.33Å; L688-L692 PolarHBondContact O-N 3.46Å; L692-S695 PolarHBondContact O-N 2.84Å; L692-I696 WeakPolarHBondContact O-CB 3.25Å; L692-I696 WeakPolarHBondContact O-CD1 3.27Å; L692-I696 VanDerWaalsContact O-CG1 3.26Å; L692-I696 WeakPolarHBondContact O-CG1 3.44Å; L692-I696 PolarHBondContact O-N 2.8Å; L692-V768 HydrophobicContact CD1-CG1 4.42Å; L692-V768 HydrophobicContact CD2-CB 4.48Å; L692-V768 HydrophobicContact CD2-CG1 4.19Å; L692-V768 HydrophobicContact CD2-CG2 4.47Å; L692-T771 HydrophobicContact CD2-CG2 3.86Å; L692-L772 HydrophobicContact CD1-CB 4.17Å; L692-L772 HydrophobicContact CD1-CD1 4.18Å
693N84.3Confident87.2Confident13 Ų1341.3 Ų41.37%0.0720%0.201CC..Hα-helixtrans-66.6-37.6176.9-86.3-90.9000112.9K654 Y658 K689 I690 S691 R697K654-N693 VanDerWaalsContact CG-OD1 3.3Å; K654-N693 WeakPolarHBondContact CG-OD1 3.29Å; Y658-N693 WeakPolarHBondContact CE2-ND2 3.28Å; K689-N693 WeakPolarHBondContact O-CB 3.44Å; K689-N693 PolarHBondContact O-N 3.36Å; K689-N693 PolarHBondContact O-ND2 2.94Å; I690-N693 PolarHBondContact O-N 3Å; S691-N693 VanDerWaalsContact C-N 3.3Å; S691-N693 PolarHBondContact O-N 2.76Å; N693-R697 WeakPolarHBondContact O-CB 3.32Å; N693-R697 WeakPolarHBondContact O-CG 3.47Å; N693-R697 PolarHBondContact O-N 3.27Å
694K82.1Confident87.6Confident114 Ų11441.4 Ų41.450%0.49620%0.2SC..Hα-helixtrans-65.1-41.4173.2-165.6169.8-175.4171.80111E164 I690 S691 K698E164-K694 PolarHBondContact O-NZ 2.77Å; I690-K694 PolarHBondContact O-N 3.01Å; S691-K694 PolarHBondContact O-N 3.28Å; S691-K694 VanDerWaalsContact O-N 3.15Å; K694-K698 PolarHBondContact O-N 2.93Å; K694-K698 VanDerWaalsContact O-N 3.14Å
695S85.2Confident87.8Confident47 Ų4744.7 Ų44.733%0.32921%0.212SC..Hα-helixtrans-63.3-47.9175.5-1740000112.7S691 L692 R697 K698 R699S691-S695 PolarHBondContact O-N 2.94Å; L692-S695 PolarHBondContact O-N 2.84Å; S695-R697 PolarHBondContact O-N 2.87Å; S695-K698 PolarHBondContact O-N 3.43Å; S695-R699 WeakPolarHBondContact O-CB 3.39Å; S695-R699 WeakPolarHBondContact O-CG 3.48Å; S695-R699 PolarHBondContact O-N 3.21Å
696I88.8Confident88Confident11 Ų1144.7 Ų44.76%0.05621%0.212CC..Hα-helixtrans-62.2-43.9178.5-71.1162.1000111.4F644 F653 I657 L692 K698 R699 K700 L764 V768F644-I696 HydrophobicContact CD1-CG2 3.82Å; F644-I696 HydrophobicContact CE1-CG2 3.96Å; F653-I696 HydrophobicContact CD1-CD1 4.28Å; I657-I696 HydrophobicContact CD1-CD1 3.16Å; L692-I696 WeakPolarHBondContact O-CB 3.25Å; L692-I696 WeakPolarHBondContact O-CD1 3.27Å; L692-I696 VanDerWaalsContact O-CG1 3.26Å; L692-I696 WeakPolarHBondContact O-CG1 3.44Å; L692-I696 PolarHBondContact O-N 2.8Å; I696-K698 PolarHBondContact O-N 3.41Å; I696-R699 PolarHBondContact O-N 3.47Å; I696-K700 WeakPolarHBondContact O-CB 3.46Å; I696-K700 PolarHBondContact O-N 3.21Å; I696-L764 HydrophobicContact CG1-CD1 4.06Å; I696-V768 HydrophobicContact CD1-CG1 4.33Å; I696-V768 HydrophobicContact CD1-CG2 3.8Å; I696-V768 HydrophobicContact CG1-CG2 3.68Å
697R83.6Confident88.4Confident79 Ų7941 Ų4130%0.29820%0.195SC..Hα-helixtrans-56.2-49.2174.7-84176.7171.6174.8-6112.2E413 N693 S695 R699 K700E413-R697 HydrophobicContact CG-CB 4.31Å; N693-R697 WeakPolarHBondContact O-CB 3.32Å; N693-R697 WeakPolarHBondContact O-CG 3.47Å; N693-R697 PolarHBondContact O-N 3.27Å; S695-R697 PolarHBondContact O-N 2.87Å; R697-R699 PolarHBondContact O-N 3.13Å; R697-K700 WeakPolarHBondContact O-CG 3.44Å
698K84.8Confident88.8Confident156 Ų15639.6 Ų39.668%0.67820%0.195SC*.Hα-helixtrans-61.4-44.6176.1-171.9175.4-177.4178.10111.8K694 S695 I696 K701K694-K698 PolarHBondContact O-N 2.93Å; K694-K698 VanDerWaalsContact O-N 3.14Å; S695-K698 PolarHBondContact O-N 3.43Å; I696-K698 PolarHBondContact O-N 3.41Å; K698-K701 WeakPolarHBondContact O-CB 3.45Å
699R88.8Confident89Confident66 Ų6645.5 Ų45.525%0.24922%0.221CC..Hα-helixtrans-80-27.5-172.9-71.3-179.868.3170.44.9115S695 I696 R697 K701 T702 V703 N763 L764 D767S695-R699 WeakPolarHBondContact O-CB 3.39Å; S695-R699 WeakPolarHBondContact O-CG 3.48Å; S695-R699 PolarHBondContact O-N 3.21Å; I696-R699 PolarHBondContact O-N 3.47Å; R697-R699 PolarHBondContact O-N 3.13Å; R699-K701 PolarHBondContact O-N 3.41Å; R699-T702 WeakPolarHBondContact O-CB 3.49Å; R699-T702 PolarHBondContact O-N 2.97Å; R699-V703 PolarHBondContact O-N 3.45Å; R699-N763 VanDerWaalsContact NH2-C 3.35Å; R699-N763 PolarHBondContact NH2-O 3.5Å; R699-L764 HydrophobicContact CB-CD1 3.78Å; R699-L764 HydrophobicContact CB-CD2 4.48Å; R699-L764 HydrophobicContact CG-CD1 4.42Å; R699-D767 IonicContact CZ-OD2 3.87Å; R699-D767 IonicContact NH1-OD2 2.6Å; R699-D767 PolarHBondContact NH1-OD2 3.33Å; R699-D767 IonicContact NH2-OD2 3.53Å; R699-D767 PolarHBondContact NH2-OD2 2.78Å
700K90.8Very high89.4Confident3 Ų345.6 Ų45.61%0.01322%0.222CC..Hα-helixtrans-57.6-32.5175.289.4-171.9-179.485.10111.6G409 N410 G412 F640 F644 N646 I696 R697 V703 Y704G409-K700 PolarHBondContact O-NZ 3.46Å; N410-K700 PolarHBondContact O-NZ 2.75Å; G412-K700 WeakPolarHBondContact O-CE 3.46Å; G412-K700 PolarHBondContact O-NZ 3.32Å; F640-K700 HydrophobicContact CE1-CB 4.16Å; F640-K700 HydrophobicContact CE1-CD 4.46Å; F640-K700 HydrophobicContact CE1-CG 4.23Å; F640-K700 HydrophobicContact CZ-CB 3.92Å; F640-K700 HydrophobicContact CZ-CG 4.44Å; F644-K700 HydrophobicContact CB-CB 4.43Å; F644-K700 HydrophobicContact CB-CD 3.66Å; F644-K700 HydrophobicContact CD1-CB 4.46Å; F644-K700 HydrophobicContact CG-CB 4.27Å; F644-K700 HydrophobicContact CG-CD 4.39Å; N646-K700 VanDerWaalsContact OD1-CE 3.22Å; N646-K700 WeakPolarHBondContact OD1-CE 3.4Å; N646-K700 PolarHBondContact OD1-NZ 3.26Å; I696-K700 WeakPolarHBondContact O-CB 3.46Å; I696-K700 PolarHBondContact O-N 3.21Å; R697-K700 WeakPolarHBondContact O-CG 3.44Å; K700-V703 PolarHBondContact O-N 3.44Å; K700-Y704 WeakPolarHBondContact O-CB 3.19Å; K700-Y704 PolarHBondContact O-N 3.17Å
701K90.1Very high90Very high15 Ų1543.4 Ų43.47%0.06521%0.211CC..Hα-helixtrans-56.2-51.1173.3-62.3173.6168.51670110.4G377 D378 E413 K698 R699 R705G377-K701 WeakPolarHBondContact O-CE 3Å; G377-K701 PolarHBondContact O-NZ 3.19Å; D378-K701 IonicContact OD1-NZ 3.71Å; D378-K701 PolarHBondContact OD1-NZ 2.93Å; E413-K701 WeakPolarHBondContact OE1-CE 3.33Å; E413-K701 IonicContact OE1-NZ 3.86Å; E413-K701 PolarHBondContact OE1-NZ 3.47Å; K698-K701 WeakPolarHBondContact O-CB 3.45Å; R699-K701 PolarHBondContact O-N 3.41Å; K701-R705 WeakPolarHBondContact O-CB 3.26Å; K701-R705 WeakPolarHBondContact O-CD 3.27Å; K701-R705 WeakPolarHBondContact O-CG 3.32Å; K701-R705 PolarHBondContact O-N 3.11Å
702T91Very high90.4Very high76 Ų7640.7 Ų40.747%0.46619%0.193SC..Hα-helixtrans-61.4-48.3177.3-49.10000111.6R699 Y704 R705 S706R699-T702 WeakPolarHBondContact O-CB 3.49Å; R699-T702 PolarHBondContact O-N 2.97Å; T702-Y704 PolarHBondContact O-N 3.4Å; T702-R705 PolarHBondContact O-N 3.1Å; T702-S706 WeakPolarHBondContact O-CB 3.31Å; T702-S706 PolarHBondContact O-N 2.92Å
703V94.5Very high90.6Very high2 Ų245.9 Ų45.91%0.01222%0.217CC..Hα-helixtrans-54.6-54.7178.2-179.60000110.5F640 R699 K700 S706 M757 H760 L761 L764F640-V703 HydrophobicContact CE2-CG1 4.14Å; R699-V703 PolarHBondContact O-N 3.45Å; K700-V703 PolarHBondContact O-N 3.44Å; V703-S706 PolarHBondContact O-N 3.27Å; V703-S706 PolarHBondContact O-OG 3.04Å; V703-M757 HydrophobicContact CG1-CE 3.93Å; V703-M757 HydrophobicContact CG1-CG 3.89Å; V703-H760 HydrophobicContact CB-CB 4.48Å; V703-H760 HydrophobicContact CG2-CB 4.01Å; V703-L761 HydrophobicContact CG1-CB 4.13Å; V703-L764 HydrophobicContact CG2-CD2 4.21Å
704Y94.3Very high91.2Very high11 Ų1147.3 Ų47.34%0.04323%0.226CC..Hα-helixtrans-68.7-42.2-176.8-176.1-88.4000113.3S406 N410 G411 T633 I636 D637 F640 K700 T702 S706S406-Y704 WeakPolarHBondContact O-CE1 3.47Å; N410-Y704 HydrophobicContact CB-CD1 4.42Å; N410-Y704 HydrophobicContact CB-CD2 3.72Å; N410-Y704 HydrophobicContact CB-CE1 4.25Å; N410-Y704 HydrophobicContact CB-CE2 3.51Å; N410-Y704 HydrophobicContact CB-CG 4.18Å; G411-Y704 VanDerWaalsContact CA-CD1 3.4Å; T633-Y704 WeakPolarHBondContact CB-OH 3.27Å; T633-Y704 HydrophobicContact CG2-CE1 4.33Å; T633-Y704 HydrophobicContact CG2-CE2 4.11Å; T633-Y704 WeakPolarHBondContact CG2-OH 3.19Å; I636-Y704 HydrophobicContact CD1-CD2 4.17Å; I636-Y704 HydrophobicContact CD1-CE2 4.18Å; D637-Y704 WeakPolarHBondContact OD1-CE2 3.47Å; D637-Y704 PolarHBondContact OD1-OH 2.8Å; F640-Y704 HydrophobicContact CD1-CD2 4.03Å; F640-Y704 HydrophobicContact CD2-CD2 4.08Å; F640-Y704 HydrophobicContact CE1-CD2 4.26Å; F640-Y704 HydrophobicContact CE1-CG 4.46Å; F640-Y704 HydrophobicContact CE2-CD2 4.31Å; F640-Y704 AromaticContact CG-CD2 3.94Å; F640-Y704 HydrophobicContact CG-CD2 3.94Å; F640-Y704 HydrophobicContact CZ-CD2 4.4Å; F640-Y704 HydrophobicContact CZ-CG 4.5Å; K700-Y704 WeakPolarHBondContact O-CB 3.19Å; K700-Y704 PolarHBondContact O-N 3.17Å; T702-Y704 PolarHBondContact O-N 3.4Å; Y704-S706 VanDerWaalsContact C-N 3.25Å; Y704-S706 PolarHBondContact O-N 3.37Å
705R91.3Very high91.8Very high82 Ų8241.9 Ų41.931%0.30920%0.203SC..Hα-helixtrans-68.3-24.1-179.7-69.2168.1-174.2-145.6-14.3113Q407 G411 K701 T702 L707 A708 K709Q407-R705 PolarHBondContact O-NH2 2.93Å; Q407-R705 VanDerWaalsContact O-NH2 3.12Å; G411-R705 VanDerWaalsContact O-CZ 3.23Å; G411-R705 PolarHBondContact O-NE 2.93Å; G411-R705 PolarHBondContact O-NH2 3.37Å; K701-R705 WeakPolarHBondContact O-CB 3.26Å; K701-R705 WeakPolarHBondContact O-CD 3.27Å; K701-R705 WeakPolarHBondContact O-CG 3.32Å; K701-R705 PolarHBondContact O-N 3.11Å; T702-R705 PolarHBondContact O-N 3.1Å; R705-L707 PolarHBondContact O-N 3.06Å; R705-A708 PolarHBondContact O-N 3.31Å; R705-K709 PolarHBondContact O-N 3.25Å
706S95.1Very high92.2Very high4 Ų442.3 Ų42.33%0.02820%0.2CC..Hα-helixtrans-57.5-31.8-178.171.50000113.6T702 V703 Y704 K709 T710 M757 H760T702-S706 WeakPolarHBondContact O-CB 3.31Å; T702-S706 PolarHBondContact O-N 2.92Å; V703-S706 PolarHBondContact O-N 3.27Å; V703-S706 PolarHBondContact O-OG 3.04Å; Y704-S706 VanDerWaalsContact C-N 3.25Å; Y704-S706 PolarHBondContact O-N 3.37Å; S706-K709 PolarHBondContact O-N 3.29Å; S706-T710 WeakPolarHBondContact O-CB 3.44Å; S706-T710 PolarHBondContact O-N 3.02Å; S706-T710 PolarHBondContact O-OG1 3.25Å; S706-M757 VanDerWaalsContact OG-CA 3.3Å; S706-M757 WeakPolarHBondContact OG-CA 3.46Å; S706-M757 WeakPolarHBondContact OG-CB 3.25Å; S706-H760 VanDerWaalsContact CB-CD2 3.48Å; S706-H760 WeakPolarHBondContact CB-CD2 3.48Å
707L95.3Very high92.3Very high0 Ų046.1 Ų46.10%022%0.22CC..Hα-helixtrans-56-61.5173-65.5176.7000110.8L571 T629 L632 T633 I636 R705 K709 T710 I711 A753 M757L571-L707 HydrophobicContact CD2-CD1 4.34Å; L571-L707 HydrophobicContact CD2-CD2 4.1Å; T629-L707 HydrophobicContact CG2-CB 3.82Å; L632-L707 HydrophobicContact CB-CD1 4.21Å; L632-L707 HydrophobicContact CD1-CD2 4.4Å; T633-L707 HydrophobicContact CG2-CD1 3.85Å; I636-L707 HydrophobicContact CD1-CD1 3.76Å; R705-L707 PolarHBondContact O-N 3.06Å; L707-K709 VanDerWaalsContact C-N 3.29Å; L707-K709 PolarHBondContact O-N 2.72Å; L707-T710 PolarHBondContact O-N 3.09Å; L707-I711 WeakPolarHBondContact O-CG1 3.29Å; L707-I711 PolarHBondContact O-N 3.2Å; L707-I711 VanDerWaalsContact O-N 3.16Å; L707-A753 HydrophobicContact CD2-CB 4.41Å; L707-A753 WeakPolarHBondContact CD2-O 3.49Å; L707-M757 HydrophobicContact CD1-SD 3.7Å; L707-M757 HydrophobicContact CD2-CB 3.81Å; L707-M757 HydrophobicContact CD2-CG 4.39Å; L707-M757 HydrophobicContact CD2-SD 3.82Å; L707-M757 HydrophobicContact CG-CB 4.24Å; L707-M757 HydrophobicContact CG-CG 4.46Å; L707-M757 HydrophobicContact CG-SD 3.68Å
708A91.9Very high92.9Very high25 Ų2542.4 Ų42.421%0.20721%0.207CC..Hα-helixtrans-64.7-33.8-177.300000112.6M626 T629 R705 G712M626-A708 HydrophobicContact SD-CB 3.73Å; T629-A708 HydrophobicContact CG2-CB 4.14Å; T629-A708 WeakPolarHBondContact OG1-CA 3.45Å; R705-A708 PolarHBondContact O-N 3.31Å; A708-G712 PolarHBondContact O-N 3.33Å
709K92.8Very high93.3Very high129 Ų12935 Ų3556%0.56117%0.174SC*.Hα-helixtrans-62.3-52.9174.6-177.3-178162.7178.90111.3R705 S706 L707 I711 G712 E713R705-K709 PolarHBondContact O-N 3.25Å; S706-K709 PolarHBondContact O-N 3.29Å; L707-K709 VanDerWaalsContact C-N 3.29Å; L707-K709 PolarHBondContact O-N 2.72Å; K709-I711 VanDerWaalsContact C-N 3.29Å; K709-I711 PolarHBondContact O-N 3.03Å; K709-G712 WeakPolarHBondContact O-CA 3.48Å; K709-G712 PolarHBondContact O-N 3.35Å; K709-E713 WeakPolarHBondContact CE-OE1 3.43Å; K709-E713 WeakPolarHBondContact CE-OE2 3.5Å; K709-E713 HydrophobicContact CG-CG 4.39Å; K709-E713 IonicContact NZ-OE1 2.71Å; K709-E713 PolarHBondContact NZ-OE1 2.82Å; K709-E713 WeakPolarHBondContact O-CG 3.2Å; K709-E713 PolarHBondContact O-N 3.11Å
710T96.4Very high93.4Very high8 Ų835.9 Ų35.95%0.04918%0.184CC..Hα-helixtrans-61.6-37.9-177.9-48.40000111.7S706 L707 T714 E752 A753 V756S706-T710 WeakPolarHBondContact O-CB 3.44Å; S706-T710 PolarHBondContact O-N 3.02Å; S706-T710 PolarHBondContact O-OG1 3.25Å; L707-T710 PolarHBondContact O-N 3.09Å; T710-T714 WeakPolarHBondContact O-CB 3.39Å; T710-T714 PolarHBondContact O-N 3.1Å; T710-T714 PolarHBondContact O-OG1 3.11Å; T710-E752 HydrophobicContact CG2-CG 4.25Å; T710-A753 HydrophobicContact CG2-CB 4.21Å; T710-V756 HydrophobicContact CG2-CG2 4.24Å
711I95.4Very high93.5Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-63.6-45.8173.1-60.6-59.6000110.9L628 T629 L707 K709 T714 M715 M749 F750 A753L628-I711 HydrophobicContact CB-CG2 3.94Å; L628-I711 HydrophobicContact CD1-CG2 4.35Å; T629-I711 WeakPolarHBondContact OG1-CG1 2.94Å; L707-I711 WeakPolarHBondContact O-CG1 3.29Å; L707-I711 PolarHBondContact O-N 3.2Å; L707-I711 VanDerWaalsContact O-N 3.16Å; K709-I711 VanDerWaalsContact C-N 3.29Å; K709-I711 PolarHBondContact O-N 3.03Å; I711-T714 PolarHBondContact O-N 3.08Å; I711-M715 HydrophobicContact CG2-CG 4.42Å; I711-M715 WeakPolarHBondContact O-CB 2.91Å; I711-M715 WeakPolarHBondContact O-CG 3.35Å; I711-M715 PolarHBondContact O-N 2.89Å; I711-M749 HydrophobicContact CD1-CG 3.45Å; I711-M749 VanDerWaalsContact CD1-CG 3.45Å; I711-M749 HydrophobicContact CD1-SD 4.08Å; I711-M749 HydrophobicContact CG2-SD 4.37Å; I711-F750 HydrophobicContact CD1-CD1 3.72Å; I711-F750 HydrophobicContact CD1-CE1 4Å; I711-A753 HydrophobicContact CD1-CB 3.87Å; I711-A753 HydrophobicContact CG1-CB 4.25Å
712G92.9Very high93.6Very high11 Ų1140.3 Ų40.311%0.11320%0.203CC..Hα-helixtrans-60.1-48.1176.600000113.1A708 K709 T714 M715 Q716A708-G712 PolarHBondContact O-N 3.33Å; K709-G712 WeakPolarHBondContact O-CA 3.48Å; K709-G712 PolarHBondContact O-N 3.35Å; G712-T714 VanDerWaalsContact C-N 3.33Å; G712-T714 PolarHBondContact O-N 2.87Å; G712-M715 CarbonylContact O-C 3.13Å; G712-M715 WeakPolarHBondContact O-CA 3.5Å; G712-M715 PolarHBondContact O-N 2.8Å; G712-Q716 PolarHBondContact O-N 3.33Å
713E94.1Very high93.4Very high111 Ų11138 Ų3852%0.51919%0.192SC..Hα-helixtrans-58.4-43.9176.2-70.6170.8141.600111.4K709 M715 Q716K709-E713 WeakPolarHBondContact CE-OE1 3.43Å; K709-E713 WeakPolarHBondContact CE-OE2 3.5Å; K709-E713 HydrophobicContact CG-CG 4.39Å; K709-E713 IonicContact NZ-OE1 2.71Å; K709-E713 PolarHBondContact NZ-OE1 2.82Å; K709-E713 WeakPolarHBondContact O-CG 3.2Å; K709-E713 PolarHBondContact O-N 3.11Å; E713-M715 PolarHBondContact O-N 2.72Å; E713-Q716 PolarHBondContact O-N 3.13Å
714T95.4Very high93.2Very high43 Ų4341.4 Ų41.426%0.26422%0.22SC..Hα-helixtrans-66.5-24.5175.9-49.50000112.6T710 I711 G712 H741 M749T710-T714 WeakPolarHBondContact O-CB 3.39Å; T710-T714 PolarHBondContact O-N 3.1Å; T710-T714 PolarHBondContact O-OG1 3.11Å; I711-T714 PolarHBondContact O-N 3.08Å; G712-T714 VanDerWaalsContact C-N 3.33Å; G712-T714 PolarHBondContact O-N 2.87Å; T714-H741 PolarHBondContact O-NE2 3.47Å; T714-M749 HydrophobicContact CG2-CB 3.98Å; T714-M749 HydrophobicContact CG2-CE 3.58Å; T714-M749 HydrophobicContact CG2-CG 3.96Å
715M95.4Very high92.9Very high0 Ų041.8 Ų41.80%022%0.224CC..Hα-helixtrans-89.7-15.6179-73.2-66.2-64.700114.1I624 L628 I711 G712 E713 D717 C718 Y719 I738 V742 M749I624-M715 HydrophobicContact CG2-CE 4.28Å; L628-M715 HydrophobicContact CD1-CE 4.3Å; L628-M715 HydrophobicContact CD1-CG 4.32Å; L628-M715 HydrophobicContact CD1-SD 4.02Å; I711-M715 HydrophobicContact CG2-CG 4.42Å; I711-M715 WeakPolarHBondContact O-CB 2.91Å; I711-M715 WeakPolarHBondContact O-CG 3.35Å; I711-M715 PolarHBondContact O-N 2.89Å; G712-M715 CarbonylContact O-C 3.13Å; G712-M715 WeakPolarHBondContact O-CA 3.5Å; G712-M715 PolarHBondContact O-N 2.8Å; E713-M715 PolarHBondContact O-N 2.72Å; M715-D717 VanDerWaalsContact C-N 3.31Å; M715-D717 PolarHBondContact O-N 3.42Å; M715-C718 HydrophobicContact CE-CB 4.38Å; M715-C718 WeakPolarHBondContact O-CA 3.48Å; M715-C718 WeakPolarHBondContact O-CB 3.16Å; M715-C718 PolarHBondContact O-N 3.28Å; M715-Y719 HydrophobicContact CB-CD2 4.05Å; M715-Y719 HydrophobicContact CB-CE1 4.46Å; M715-Y719 HydrophobicContact CB-CE2 3.36Å; M715-Y719 HydrophobicContact CE-CE1 3.71Å; M715-Y719 HydrophobicContact CG-CE2 4.39Å; M715-Y719 WeakPolarHBondContact O-CD2 2.87Å; M715-Y719 PolarHBondContact O-N 3.32Å; M715-Y719 VanDerWaalsContact O-N 3.08Å; M715-I738 HydrophobicContact CE-CG2 4.2Å; M715-V742 HydrophobicContact CE-CG2 3.89Å; M715-V742 HydrophobicContact SD-CG2 3.52Å; M715-V742 VanDerWaalsContact SD-CG2 3.52Å; M715-M749 HydrophobicContact CG-CE 3.91Å; M715-M749 HydrophobicContact SD-CE 3.54Å; M715-M749 VanDerWaalsContact SD-CE 3.54Å
716Q93.1Very high92.5Very high56 Ų5643.2 Ų43.226%0.26224%0.242SC..Hα-helixtrans-56.3-44.3-170.9-171.35935.600113.2G712 E713 C718 Y719 N720G712-Q716 PolarHBondContact O-N 3.33Å; E713-Q716 PolarHBondContact O-N 3.13Å; Q716-C718 PolarHBondContact O-N 3.19Å; Q716-Y719 PolarHBondContact O-N 3.15Å; Q716-Y719 VanDerWaalsContact O-N 3.09Å; Q716-N720 PolarHBondContact NE2-OD1 3.27Å; Q716-N720 PolarHBondContact O-N 3.08Å; Q716-N720 PolarHBondContact O-ND2 3.25Å; Q716-N720 PolarHBondContact O-OD1 3.18Å
717D92.4Very high91.8Very high92 Ų9245.9 Ų45.949%0.49227%0.271SS..Hα-helixtrans-61-31.2178.8-127.843.3000112.8M715 K721M715-D717 VanDerWaalsContact C-N 3.31Å; M715-D717 PolarHBondContact O-N 3.42Å; D717-K721 WeakPolarHBondContact O-CD 3.31Å; D717-K721 WeakPolarHBondContact O-CE 3.4Å; D717-K721 WeakPolarHBondContact O-CG 3.44Å; D717-K721 PolarHBondContact O-N 3.29Å; D717-K721 IonicContact OD2-NZ 2.74Å; D717-K721 PolarHBondContact OD2-NZ 3.37Å
718C94.8Very high91Very high1 Ų157.9 Ų57.91%0.00732%0.316CS..Hα-helixtrans-74.7-40.9174.4-177.50000111.9M715 Q716 K721 A722 T737 I738 H741M715-C718 HydrophobicContact CE-CB 4.38Å; M715-C718 WeakPolarHBondContact O-CA 3.48Å; M715-C718 WeakPolarHBondContact O-CB 3.16Å; M715-C718 PolarHBondContact O-N 3.28Å; Q716-C718 PolarHBondContact O-N 3.19Å; C718-K721 PolarHBondContact O-N 3.24Å; C718-A722 VanDerWaalsContact O-CB 3.31Å; C718-A722 WeakPolarHBondContact O-CB 3.37Å; C718-A722 PolarHBondContact O-N 3.24Å; C718-T737 PolarHBondContact SG-O 2.85Å; C718-I738 WeakPolarHBondContact SG-CA 3.29Å; C718-H741 HydrophobicContact CB-CB 3.88Å
719Y94.4Very high90.6Very high0 Ų058.6 Ų58.60%033%0.325CS..Hα-helixtrans-65.2-42177.3-61.2-39.8000111.5V608 E611 G612 I624 N625 M715 Q716 K721 A722 A723V608-Y719 HydrophobicContact CB-CD1 4.3Å; V608-Y719 HydrophobicContact CG1-CD1 3.96Å; E611-Y719 WeakPolarHBondContact O-CE2 3.47Å; G612-Y719 VanDerWaalsContact CA-CZ 3.43Å; I624-Y719 WeakPolarHBondContact CB-OH 3.45Å; I624-Y719 HydrophobicContact CD1-CE1 4.04Å; I624-Y719 HydrophobicContact CG2-CE1 4.49Å; I624-Y719 WeakPolarHBondContact CG2-OH 3.38Å; N625-Y719 WeakPolarHBondContact OD1-CE2 3.42Å; N625-Y719 PolarHBondContact OD1-OH 3.49Å; M715-Y719 HydrophobicContact CB-CD2 4.05Å; M715-Y719 HydrophobicContact CB-CE1 4.46Å; M715-Y719 HydrophobicContact CB-CE2 3.36Å; M715-Y719 HydrophobicContact CE-CE1 3.71Å; M715-Y719 HydrophobicContact CG-CE2 4.39Å; M715-Y719 WeakPolarHBondContact O-CD2 2.87Å; M715-Y719 PolarHBondContact O-N 3.32Å; M715-Y719 VanDerWaalsContact O-N 3.08Å; Q716-Y719 PolarHBondContact O-N 3.15Å; Q716-Y719 VanDerWaalsContact O-N 3.09Å; Y719-K721 PolarHBondContact O-N 3.37Å; Y719-A722 PolarHBondContact O-N 3.43Å; Y719-A723 WeakPolarHBondContact O-CB 3.48Å; Y719-A723 PolarHBondContact O-N 3.2Å
720N90.6Very high90.3Very high85 Ų8553 Ų5346%0.45530%0.302SS..Hα-helixtrans-56.6-46.5173.1-63.6-15.5000111.7Q716 A724Q716-N720 PolarHBondContact NE2-OD1 3.27Å; Q716-N720 PolarHBondContact O-N 3.08Å; Q716-N720 PolarHBondContact O-ND2 3.25Å; Q716-N720 PolarHBondContact O-OD1 3.18Å; N720-A724 PolarHBondContact O-N 2.95Å
721K92.6Very high89.9Confident110 Ų11054.1 Ų54.148%0.47831%0.308SS..Hα-helixtrans-68.1-39.7178.3-69.4161.3-161.4158.40112.6D717 C718 Y719 A724 T737D717-K721 WeakPolarHBondContact O-CD 3.31Å; D717-K721 WeakPolarHBondContact O-CE 3.4Å; D717-K721 WeakPolarHBondContact O-CG 3.44Å; D717-K721 PolarHBondContact O-N 3.29Å; D717-K721 IonicContact OD2-NZ 2.74Å; D717-K721 PolarHBondContact OD2-NZ 3.37Å; C718-K721 PolarHBondContact O-N 3.24Å; Y719-K721 PolarHBondContact O-N 3.37Å; K721-A724 PolarHBondContact O-N 2.78Å; K721-T737 HydrophobicContact CB-CG2 3.89Å
722A91.8Very high89.7Confident0 Ų057.3 Ų57.30%032%0.322CS..Hα-helixtrans-69.1-41.917800000112.1V608 C718 Y719 A724 C725 M734 T737V608-A722 HydrophobicContact CB-CB 4.02Å; V608-A722 HydrophobicContact CG1-CB 3.82Å; V608-A722 HydrophobicContact CG2-CB 4.1Å; C718-A722 VanDerWaalsContact O-CB 3.31Å; C718-A722 WeakPolarHBondContact O-CB 3.37Å; C718-A722 PolarHBondContact O-N 3.24Å; Y719-A722 PolarHBondContact O-N 3.43Å; A722-A724 PolarHBondContact O-N 3.49Å; A722-C725 WeakPolarHBondContact O-CB 3.44Å; A722-C725 PolarHBondContact O-N 3.3Å; A722-C725 PolarHBondContact O-SG 2.99Å; A722-M734 HydrophobicContact CB-CB 4.37Å; A722-M734 HydrophobicContact CB-CG 4.18Å; A722-M734 WeakPolarHBondContact O-CG 3.42Å; A722-T737 HydrophobicContact CB-CG2 4.28Å
723A88.1Confident89.6Confident28 Ų2860 Ų6023%0.23133%0.334CS..Hα-helixtrans-62.1-32.2177.100000112.7V608 E609 Y719 C725V608-A723 HydrophobicContact CG2-CB 4Å; E609-A723 HydrophobicContact CG-CB 4.12Å; Y719-A723 WeakPolarHBondContact O-CB 3.48Å; Y719-A723 PolarHBondContact O-N 3.2Å; A723-C725 PolarHBondContact O-N 3.42Å
724A89Confident89.6Confident74 Ų7454.7 Ų54.761%0.61231%0.31SS*.THydrogen-bonded Turntrans-72.1-6.8174.600000114.5N720 K721 A722 T726N720-A724 PolarHBondContact O-N 2.95Å; K721-A724 PolarHBondContact O-N 2.78Å; A722-A724 PolarHBondContact O-N 3.49Å; A724-T726 PolarHBondContact O-N 2.99Å
725C87.4Confident89.5Confident18 Ų1854.3 Ų54.312%0.12230%0.303CS..  trans-68.3130.6177.4-68.10000111.4A722 A723 T730 N733 M734A722-C725 WeakPolarHBondContact O-CB 3.44Å; A722-C725 PolarHBondContact O-N 3.3Å; A722-C725 PolarHBondContact O-SG 2.99Å; A723-C725 PolarHBondContact O-N 3.42Å; C725-T730 HydrophobicContact CB-CG2 3.89Å; C725-T730 WeakPolarHBondContact O-CG2 3.22Å; C725-N733 HydrophobicContact CB-CB 4.35Å; C725-M734 HydrophobicContact CB-CG 3.97Å
726T83.1Confident89.5Confident112 Ų11258.4 Ų58.469%0.68732%0.323SS*.  trans-141.3160.8-179.256.70000112.1A724 T730A724-T726 PolarHBondContact O-N 2.99Å; T726-T730 WeakPolarHBondContact CA-OG1 3.41Å; T726-T730 PolarHBondContact O-OG1 3Å
727G80Confident89.6Confident61 Ų6157.6 Ų57.663%0.62932%0.321SS*.SBendtrans84.2-166176.400000115.1G729 T730G727-G729 PolarHBondContact O-N 3.5Å; G727-T730 PolarHBondContact N-OG1 2.88Å; G727-T730 PolarHBondContact O-N 3.1Å; G727-T730 PolarHBondContact O-OG1 2.86Å
728R79.6Confident89.7Confident252 Ų25253.2 Ų53.295%0.95130%0.298SS*.THydrogen-bonded Turntrans-66.3126.5-178.4-172.5-179.9-67.4-174.40.1109.8
729G83.6Confident89.8Confident39 Ų3955.9 Ų55.940%0.40231%0.31SS..THydrogen-bonded Turntrans98-4.4-17800000115.4G727 L731 Q732 N733G727-G729 PolarHBondContact O-N 3.5Å; G729-L731 VanDerWaalsContact C-N 3.29Å; G729-L731 PolarHBondContact O-N 3.09Å; G729-Q732 WeakPolarHBondContact O-CA 3.48Å; G729-Q732 PolarHBondContact O-N 2.92Å; G729-N733 PolarHBondContact O-N 3.37Å; G729-N733 VanDerWaalsContact O-N 3.08Å; G729-N733 PolarHBondContact O-OD1 2.85Å
730T86.8Confident89.8Confident12 Ų1261.1 Ų61.17%0.07434%0.338CS..Hα-helixtrans-43.1-45.5-175.5-63.60000114.9H601 C725 T726 G727 Q732 N733 M734H601-T730 WeakPolarHBondContact NE2-CG2 3.4Å; C725-T730 HydrophobicContact CB-CG2 3.89Å; C725-T730 WeakPolarHBondContact O-CG2 3.22Å; T726-T730 WeakPolarHBondContact CA-OG1 3.41Å; T726-T730 PolarHBondContact O-OG1 3Å; G727-T730 PolarHBondContact N-OG1 2.88Å; G727-T730 PolarHBondContact O-N 3.1Å; G727-T730 PolarHBondContact O-OG1 2.86Å; T730-Q732 VanDerWaalsContact C-N 3.32Å; T730-Q732 PolarHBondContact O-N 3.2Å; T730-N733 PolarHBondContact O-N 2.81Å; T730-M734 HydrophobicContact CG2-CE 4.2Å; T730-M734 HydrophobicContact CG2-CG 4.38Å; T730-M734 HydrophobicContact CG2-SD 4.43Å; T730-M734 WeakPolarHBondContact O-CG 3.15Å; T730-M734 PolarHBondContact O-N 2.63Å
731L87.4Confident90.1Very high31 Ų3159.3 Ų59.316%0.16233%0.327CS..Hα-helixtrans-55.7-44176.2174.257.6000113F600 H601 L604 G729 R735F600-L731 HydrophobicContact CD1-CD1 3.95Å; F600-L731 HydrophobicContact CE1-CD1 4.13Å; H601-L731 HydrophobicContact CB-CB 4.32Å; H601-L731 HydrophobicContact CB-CD1 4.37Å; H601-L731 HydrophobicContact CB-CD2 4.37Å; L604-L731 HydrophobicContact CD2-CD1 3.97Å; G729-L731 VanDerWaalsContact C-N 3.29Å; G729-L731 PolarHBondContact O-N 3.09Å; L731-R735 WeakPolarHBondContact O-CD 3.18Å; L731-R735 VanDerWaalsContact O-CG 3.27Å; L731-R735 WeakPolarHBondContact O-CG 3.36Å; L731-R735 PolarHBondContact O-N 3.47Å
732Q90.3Very high90.2Very high67 Ų6754.1 Ų54.131%0.31330%0.304SS..Hα-helixtrans-74.6-40.9-178.5-169.95824.100110.9G729 T730 M734 R735 E736G729-Q732 WeakPolarHBondContact O-CA 3.48Å; G729-Q732 PolarHBondContact O-N 2.92Å; T730-Q732 VanDerWaalsContact C-N 3.32Å; T730-Q732 PolarHBondContact O-N 3.2Å; Q732-M734 VanDerWaalsContact C-N 3.32Å; Q732-M734 PolarHBondContact O-N 3.44Å; Q732-R735 WeakPolarHBondContact O-CB 3.43Å; Q732-R735 PolarHBondContact O-N 2.89Å; Q732-R735 VanDerWaalsContact O-N 3.14Å; Q732-E736 VanDerWaalsContact CG-OE1 3.25Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.39Å; Q732-E736 PolarHBondContact NE2-OE1 2.81Å; Q732-E736 WeakPolarHBondContact O-CG 3.26Å; Q732-E736 PolarHBondContact O-N 3.48Å
733N91.6Very high90.4Very high67 Ų6759 Ų5936%0.35833%0.327SS..Hα-helixtrans-59.6-41.5175.4-58.19000111.7C725 G729 T730 T737C725-N733 HydrophobicContact CB-CB 4.35Å; G729-N733 PolarHBondContact O-N 3.37Å; G729-N733 VanDerWaalsContact O-N 3.08Å; G729-N733 PolarHBondContact O-OD1 2.85Å; T730-N733 PolarHBondContact O-N 2.81Å; N733-T737 WeakPolarHBondContact O-CB 3.29Å; N733-T737 PolarHBondContact O-N 2.86Å; N733-T737 PolarHBondContact O-OG1 3.24Å
734M93.5Very high90.8Very high1 Ų160.7 Ų60.71%0.00535%0.347CS..Hα-helixtrans-62.6-43.3174.9-73.7-168.4-61.700112.3L604 K605 V608 A722 C725 T730 Q732 T737 I738L604-M734 HydrophobicContact CB-CE 4.29Å; L604-M734 HydrophobicContact CD2-CB 4.12Å; L604-M734 HydrophobicContact CD2-CE 4.25Å; L604-M734 HydrophobicContact CG-CE 4.19Å; K605-M734 HydrophobicContact CB-CE 4.12Å; K605-M734 HydrophobicContact CB-SD 4.19Å; V608-M734 HydrophobicContact CG2-SD 3.9Å; A722-M734 HydrophobicContact CB-CB 4.37Å; A722-M734 HydrophobicContact CB-CG 4.18Å; A722-M734 WeakPolarHBondContact O-CG 3.42Å; C725-M734 HydrophobicContact CB-CG 3.97Å; T730-M734 HydrophobicContact CG2-CE 4.2Å; T730-M734 HydrophobicContact CG2-CG 4.38Å; T730-M734 HydrophobicContact CG2-SD 4.43Å; T730-M734 WeakPolarHBondContact O-CG 3.15Å; T730-M734 PolarHBondContact O-N 2.63Å; Q732-M734 VanDerWaalsContact C-N 3.32Å; Q732-M734 PolarHBondContact O-N 3.44Å; M734-T737 PolarHBondContact O-N 3.49Å; M734-I738 WeakPolarHBondContact O-CD1 3.43Å; M734-I738 VanDerWaalsContact O-CG1 3.32Å; M734-I738 WeakPolarHBondContact O-CG1 3.5Å; M734-I738 PolarHBondContact O-N 2.77Å; M734-I738 VanDerWaalsContact O-N 3.14Å
735R94Very high91Very high35 Ų3557.9 Ų57.913%0.13232%0.323CS..Hα-helixtrans-61.8-52.3177.2-73.3165.4159.2165-0.2111.6L590 L604 L731 Q732 T737 I738 E739L590-R735 HydrophobicContact CB-CG 4.26Å; L590-R735 VanDerWaalsContact O-CZ 3.31Å; L590-R735 PolarHBondContact O-NE 2.71Å; L590-R735 PolarHBondContact O-NH2 2.83Å; L604-R735 HydrophobicContact CD2-CG 3.99Å; L731-R735 WeakPolarHBondContact O-CD 3.18Å; L731-R735 VanDerWaalsContact O-CG 3.27Å; L731-R735 WeakPolarHBondContact O-CG 3.36Å; L731-R735 PolarHBondContact O-N 3.47Å; Q732-R735 WeakPolarHBondContact O-CB 3.43Å; Q732-R735 PolarHBondContact O-N 2.89Å; Q732-R735 VanDerWaalsContact O-N 3.14Å; R735-T737 VanDerWaalsContact C-N 3.28Å; R735-T737 PolarHBondContact O-N 2.78Å; R735-I738 PolarHBondContact O-N 3.37Å; R735-I738 VanDerWaalsContact O-N 3.1Å; R735-E739 WeakPolarHBondContact O-CB 3.32Å; R735-E739 WeakPolarHBondContact O-CG 3.46Å; R735-E739 PolarHBondContact O-N 2.63Å
736E94.4Very high91.3Very high86 Ų8658.9 Ų58.940%0.40233%0.325SS..Hα-helixtrans-62.9-34.9179.8-71.8172.3-165.900111.8Q732 N740Q732-E736 VanDerWaalsContact CG-OE1 3.25Å; Q732-E736 WeakPolarHBondContact CG-OE1 3.39Å; Q732-E736 PolarHBondContact NE2-OE1 2.81Å; Q732-E736 WeakPolarHBondContact O-CG 3.26Å; Q732-E736 PolarHBondContact O-N 3.48Å; E736-N740 WeakPolarHBondContact O-CB 3.48Å; E736-N740 PolarHBondContact O-N 3.39Å; E736-N740 PolarHBondContact O-ND2 3.08Å
737T95.6Very high91.7Very high39 Ų3958.3 Ų58.324%0.23932%0.318CS..Hα-helixtrans-60.6-47.2172.5-58.50000111.2C718 K721 A722 N733 M734 R735 H741C718-T737 PolarHBondContact SG-O 2.85Å; K721-T737 HydrophobicContact CB-CG2 3.89Å; A722-T737 HydrophobicContact CB-CG2 4.28Å; N733-T737 WeakPolarHBondContact O-CB 3.29Å; N733-T737 PolarHBondContact O-N 2.86Å; N733-T737 PolarHBondContact O-OG1 3.24Å; M734-T737 PolarHBondContact O-N 3.49Å; R735-T737 VanDerWaalsContact C-N 3.28Å; R735-T737 PolarHBondContact O-N 2.78Å; T737-H741 VanDerWaalsContact O-CB 3.26Å; T737-H741 WeakPolarHBondContact O-CB 3.21Å; T737-H741 PolarHBondContact O-N 3.46Å
738I95.3Very high92.5Very high0 Ų060 Ų600%032%0.316CS..Hα-helixtrans-66-45.9178.1-66164000111.8L586 L590 L604 V608 I624 M715 C718 M734 R735 V742L586-I738 HydrophobicContact CD2-CG2 3.89Å; L590-I738 HydrophobicContact CD1-CB 4.29Å; L590-I738 HydrophobicContact CD1-CG2 3.98Å; L590-I738 HydrophobicContact CD2-CD1 4.08Å; L604-I738 HydrophobicContact CD1-CD1 4.08Å; V608-I738 HydrophobicContact CG1-CD1 3.99Å; I624-I738 HydrophobicContact CD1-CD1 4.25Å; M715-I738 HydrophobicContact CE-CG2 4.2Å; C718-I738 WeakPolarHBondContact SG-CA 3.29Å; M734-I738 WeakPolarHBondContact O-CD1 3.43Å; M734-I738 VanDerWaalsContact O-CG1 3.32Å; M734-I738 WeakPolarHBondContact O-CG1 3.5Å; M734-I738 PolarHBondContact O-N 2.77Å; M734-I738 VanDerWaalsContact O-N 3.14Å; R735-I738 PolarHBondContact O-N 3.37Å; R735-I738 VanDerWaalsContact O-N 3.1Å; I738-V742 VanDerWaalsContact O-CG2 3.31Å; I738-V742 WeakPolarHBondContact O-CG2 3.46Å; I738-V742 PolarHBondContact O-N 2.79Å
739E95.8Very high93.3Very high57 Ų5748 Ų4827%0.26627%0.271SS..Hα-helixtrans-65.7-45.5-178.6-72.2168.4-136.700112.1L586 L590 Y591 R735 H743L586-E739 HydrophobicContact CD1-CG 4.24Å; L590-E739 HydrophobicContact CD1-CG 3.83Å; Y591-E739 WeakPolarHBondContact CE2-OE1 3.4Å; Y591-E739 VanDerWaalsContact CZ-OE1 3.29Å; Y591-E739 PolarHBondContact OH-OE1 3.36Å; R735-E739 WeakPolarHBondContact O-CB 3.32Å; R735-E739 WeakPolarHBondContact O-CG 3.46Å; R735-E739 PolarHBondContact O-N 2.63Å; E739-H743 WeakPolarHBondContact O-CB 3.5Å; E739-H743 PolarHBondContact O-N 3.21Å
740N96Very high93.9Very high110 Ų11046.2 Ų46.259%0.58825%0.252SS*.Hα-helixtrans-66.9-42.1178.1-72.4-45.7000111.9E736 H743 G744E736-N740 WeakPolarHBondContact O-CB 3.48Å; E736-N740 PolarHBondContact O-N 3.39Å; E736-N740 PolarHBondContact O-ND2 3.08Å; N740-H743 PolarHBondContact O-N 3.05Å; N740-G744 PolarHBondContact O-N 3.41Å
741H96.3Very high94.4Very high47 Ų4748.2 Ų48.222%0.21826%0.261CS..Hα-helixtrans-61.4-50177.5-175.787000111.7T714 C718 T737 G744 S745T714-H741 PolarHBondContact O-NE2 3.47Å; C718-H741 HydrophobicContact CB-CB 3.88Å; T737-H741 VanDerWaalsContact O-CB 3.26Å; T737-H741 WeakPolarHBondContact O-CB 3.21Å; T737-H741 PolarHBondContact O-N 3.46Å; H741-G744 PolarHBondContact O-N 3.34Å; H741-S745 VanDerWaalsContact O-CB 3.3Å; H741-S745 WeakPolarHBondContact O-CB 3.42Å; H741-S745 PolarHBondContact O-N 3.32Å; H741-S745 PolarHBondContact O-OG 2.64Å
742V95.5Very high94.9Very high0 Ų050 Ų500%027%0.268CS..Hα-helixtrans-67-37.4177.8178.90000111.1Y582 L586 L628 M715 I738 G744 S745 K746Y582-V742 HydrophobicContact CD2-CG1 3.65Å; Y582-V742 HydrophobicContact CG-CG1 4.18Å; L586-V742 HydrophobicContact CD1-CB 3.84Å; L586-V742 HydrophobicContact CD1-CG1 3.99Å; L586-V742 HydrophobicContact CD1-CG2 4.12Å; L628-V742 HydrophobicContact CD1-CG2 3.97Å; L628-V742 HydrophobicContact CD2-CG1 4.1Å; M715-V742 HydrophobicContact CE-CG2 3.89Å; M715-V742 HydrophobicContact SD-CG2 3.52Å; M715-V742 VanDerWaalsContact SD-CG2 3.52Å; I738-V742 VanDerWaalsContact O-CG2 3.31Å; I738-V742 WeakPolarHBondContact O-CG2 3.46Å; I738-V742 PolarHBondContact O-N 2.79Å; V742-G744 PolarHBondContact O-N 3.2Å; V742-S745 PolarHBondContact O-N 2.66Å; V742-K746 VanDerWaalsContact O-CB 3.26Å; V742-K746 WeakPolarHBondContact O-CB 3.29Å; V742-K746 PolarHBondContact O-N 2.78Å
743H95.6Very high95.2Very high104 Ų10446.9 Ų46.948%0.48125%0.253SS..Hα-helixtrans-61.7-42.9177.2179.867.5000112.6Y582 E739 N740 K746Y582-H743 HydrophobicContact CE2-CB 4.41Å; Y582-H743 AromaticContact CZ-ND1 3.98Å; Y582-H743 PolarHBondContact OH-ND1 3.17Å; E739-H743 WeakPolarHBondContact O-CB 3.5Å; E739-H743 PolarHBondContact O-N 3.21Å; N740-H743 PolarHBondContact O-N 3.05Å; H743-K746 WeakPolarHBondContact O-CE 3.46Å; H743-K746 WeakPolarHBondContact O-CG 3.34Å
744G95.2Very high95.5Very high62 Ų6244.7 Ų44.764%0.63924%0.241SC*.Hα-helixtrans-72.2-37.9176.200000113.5N740 H741 V742N740-G744 PolarHBondContact O-N 3.41Å; H741-G744 PolarHBondContact O-N 3.34Å; V742-G744 PolarHBondContact O-N 3.2Å
745S95Very high95.8Very high16 Ų1649.4 Ų49.411%0.11226%0.261CS..Hα-helixtrans-91.9-17.1-173.761.20000115.5H741 V742 N747 T748 M749H741-S745 VanDerWaalsContact O-CB 3.3Å; H741-S745 WeakPolarHBondContact O-CB 3.42Å; H741-S745 PolarHBondContact O-N 3.32Å; H741-S745 PolarHBondContact O-OG 2.64Å; V742-S745 PolarHBondContact O-N 2.66Å; S745-N747 PolarHBondContact O-N 2.78Å; S745-T748 PolarHBondContact O-N 3.33Å; S745-T748 PolarHBondContact O-OG1 3.21Å; S745-M749 VanDerWaalsContact O-CB 3.25Å; S745-M749 WeakPolarHBondContact O-CB 3.43Å; S745-M749 PolarHBondContact O-N 2.62Å; S745-M749 VanDerWaalsContact OG-CE 3.27Å; S745-M749 WeakPolarHBondContact OG-CE 3.32Å
746K92.6Very high96Very high39 Ų3949.3 Ų49.317%0.1727%0.265CS..Hα-helixtrans-46-35.6-174.361.8-174.9178169.80115.6Y582 V742 H743 F750Y582-K746 HydrophobicContact CD1-CD 3.82Å; Y582-K746 HydrophobicContact CE1-CD 3.32Å; Y582-K746 HydrophobicContact CE2-CD 4.29Å; Y582-K746 HydrophobicContact CG-CD 4.49Å; Y582-K746 PolarHBondContact OH-NZ 2.96Å; V742-K746 VanDerWaalsContact O-CB 3.26Å; V742-K746 WeakPolarHBondContact O-CB 3.29Å; V742-K746 PolarHBondContact O-N 2.78Å; H743-K746 WeakPolarHBondContact O-CE 3.46Å; H743-K746 WeakPolarHBondContact O-CG 3.34Å; K746-F750 HydrophobicContact CB-CD2 4.19Å; K746-F750 HydrophobicContact CB-CE2 3.88Å; K746-F750 WeakPolarHBondContact O-CD2 3.49Å
747N91.7Very high96.1Very high100 Ų10045.2 Ų45.254%0.53525%0.245SC..Hα-helixtrans-73-36.1-177-71.2-16.6000112.2S745 E751S745-N747 PolarHBondContact O-N 2.78Å; N747-E751 WeakPolarHBondContact O-CB 3.35Å
748T95.8Very high96.2Very high96 Ų9643.9 Ų43.959%0.58924%0.237SC*.Hα-helixtrans-89.7-44.4177.750.40000111.4S745 F750 E751 E752S745-T748 PolarHBondContact O-N 3.33Å; S745-T748 PolarHBondContact O-OG1 3.21Å; T748-F750 PolarHBondContact O-N 3.42Å; T748-E751 PolarHBondContact O-N 2.96Å; T748-E752 VanDerWaalsContact O-CB 3.29Å; T748-E752 WeakPolarHBondContact O-CB 3.5Å; T748-E752 PolarHBondContact O-N 2.69Å
749M96.6Very high96.3Very high1 Ų148 Ų481%0.00526%0.258CS..Hα-helixtrans-51.5-52.8-178.7176.6-173.7-77.200113I711 T714 M715 S745 A753I711-M749 HydrophobicContact CD1-CG 3.45Å; I711-M749 VanDerWaalsContact CD1-CG 3.45Å; I711-M749 HydrophobicContact CD1-SD 4.08Å; I711-M749 HydrophobicContact CG2-SD 4.37Å; T714-M749 HydrophobicContact CG2-CB 3.98Å; T714-M749 HydrophobicContact CG2-CE 3.58Å; T714-M749 HydrophobicContact CG2-CG 3.96Å; M715-M749 HydrophobicContact CG-CE 3.91Å; M715-M749 HydrophobicContact SD-CE 3.54Å; M715-M749 VanDerWaalsContact SD-CE 3.54Å; S745-M749 VanDerWaalsContact O-CB 3.25Å; S745-M749 WeakPolarHBondContact O-CB 3.43Å; S745-M749 PolarHBondContact O-N 2.62Å; S745-M749 VanDerWaalsContact OG-CE 3.27Å; S745-M749 WeakPolarHBondContact OG-CE 3.32Å; M749-A753 WeakPolarHBondContact O-CB 3.45Å; M749-A753 PolarHBondContact O-N 3.29Å; M749-A753 VanDerWaalsContact O-N 3.1Å
750F97.6Very high96.3Very high1 Ų148.4 Ų48.40%0.00426%0.26CS..Hα-helixtrans-75.2-33.7-177.3-60.6-51.1000112.6V575 S578 K579 L628 L632 I711 K746 T748 K754V575-F750 HydrophobicContact CG1-CB 4.07Å; V575-F750 HydrophobicContact CG2-CB 4.34Å; V575-F750 WeakPolarHBondContact CG2-O 3.43Å; S578-F750 VanDerWaalsContact CB-CD2 3.44Å; K579-F750 HydrophobicContact CG-CD2 4.21Å; L628-F750 HydrophobicContact CD2-CZ 4.49Å; L632-F750 HydrophobicContact CD1-CD1 4.08Å; I711-F750 HydrophobicContact CD1-CD1 3.72Å; I711-F750 HydrophobicContact CD1-CE1 4Å; K746-F750 HydrophobicContact CB-CD2 4.19Å; K746-F750 HydrophobicContact CB-CE2 3.88Å; K746-F750 WeakPolarHBondContact O-CD2 3.49Å; T748-F750 PolarHBondContact O-N 3.42Å; F750-K754 PolarHBondContact O-N 3.02Å; F750-K754 VanDerWaalsContact O-N 3.08Å
751E97.4Very high96.3Very high54 Ų5443.2 Ų43.225%0.25223%0.233SC..Hα-helixtrans-72.7-37.7178.7-162.866.3-122.800111.5Q572 K579 N747 T748 K754 K755Q572-E751 PolarHBondContact NE2-OE2 2.88Å; Q572-E751 VanDerWaalsContact NE2-OE2 3.09Å; K579-E751 IonicContact NZ-OE2 2.76Å; K579-E751 PolarHBondContact NZ-OE2 2.73Å; N747-E751 WeakPolarHBondContact O-CB 3.35Å; T748-E751 PolarHBondContact O-N 2.96Å; E751-K754 WeakPolarHBondContact O-CB 3.43Å; E751-K754 PolarHBondContact O-N 2.8Å; E751-K754 WeakPolarHBondContact OE1-CD 3.44Å; E751-K754 IonicContact OE1-NZ 3.07Å; E751-K754 PolarHBondContact OE1-NZ 2.84Å; E751-K755 WeakPolarHBondContact O-CB 3.12Å; E751-K755 PolarHBondContact O-N 2.84Å
752E97.5Very high96.2Very high69 Ų6944 Ų4432%0.32224%0.238SC..Hα-helixtrans-68.2-41.1173.7-167.959.2-137.600111.1T710 T748 K754 K755 V756T710-E752 HydrophobicContact CG2-CG 4.25Å; T748-E752 VanDerWaalsContact O-CB 3.29Å; T748-E752 WeakPolarHBondContact O-CB 3.5Å; T748-E752 PolarHBondContact O-N 2.69Å; E752-K754 VanDerWaalsContact C-N 3.33Å; E752-K754 PolarHBondContact O-N 2.73Å; E752-K755 PolarHBondContact O-N 2.81Å; E752-K755 VanDerWaalsContact O-N 3.13Å; E752-K755 IonicContact OE1-NZ 3.13Å; E752-K755 PolarHBondContact OE1-NZ 2.75Å; E752-K755 IonicContact OE2-NZ 3.85Å; E752-K755 PolarHBondContact OE2-NZ 2.89Å; E752-V756 HydrophobicContact CG-CG2 4.27Å; E752-V756 WeakPolarHBondContact O-CB 3.47Å; E752-V756 WeakPolarHBondContact O-CG2 3.2Å; E752-V756 PolarHBondContact O-N 2.68Å; E752-V756 WeakPolarHBondContact OE1-CG2 3.37Å
753A97.3Very high96.2Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-58.3-43.2172.500000112.3L632 L707 T710 I711 M749 M757L632-A753 HydrophobicContact CD1-CB 4.11Å; L707-A753 HydrophobicContact CD2-CB 4.41Å; L707-A753 WeakPolarHBondContact CD2-O 3.49Å; T710-A753 HydrophobicContact CG2-CB 4.21Å; I711-A753 HydrophobicContact CD1-CB 3.87Å; I711-A753 HydrophobicContact CG1-CB 4.25Å; M749-A753 WeakPolarHBondContact O-CB 3.45Å; M749-A753 PolarHBondContact O-N 3.29Å; M749-A753 VanDerWaalsContact O-N 3.1Å; A753-M757 PolarHBondContact O-N 2.81Å; A753-M757 VanDerWaalsContact O-N 3.14Å
754K98Very high96.1Very high21 Ų2142.9 Ų42.99%0.09124%0.236CC..Hα-helixtrans-58.2-51.9170.3160.2175.9164.3-1140111.1L571 V575 F750 E751 E752 V756 M757 M758L571-K754 HydrophobicContact CB-CB 4.34Å; L571-K754 HydrophobicContact CB-CD 3.92Å; L571-K754 HydrophobicContact CB-CG 3.92Å; L571-K754 HydrophobicContact CD1-CG 4.38Å; V575-K754 HydrophobicContact CG2-CB 3.8Å; V575-K754 HydrophobicContact CG2-CD 3.98Å; F750-K754 PolarHBondContact O-N 3.02Å; F750-K754 VanDerWaalsContact O-N 3.08Å; E751-K754 WeakPolarHBondContact O-CB 3.43Å; E751-K754 PolarHBondContact O-N 2.8Å; E751-K754 WeakPolarHBondContact OE1-CD 3.44Å; E751-K754 IonicContact OE1-NZ 3.07Å; E751-K754 PolarHBondContact OE1-NZ 2.84Å; E752-K754 VanDerWaalsContact C-N 3.33Å; E752-K754 PolarHBondContact O-N 2.73Å; K754-V756 PolarHBondContact O-N 3.15Å; K754-M757 PolarHBondContact O-N 2.72Å; K754-M758 HydrophobicContact CG-CG 4.33Å; K754-M758 WeakPolarHBondContact O-CG 3.35Å; K754-M758 PolarHBondContact O-N 3.11Å
755K98Very high96Very high100 Ų10040.1 Ų40.144%0.43521%0.206SC..Hα-helixtrans-59-45.8-177.9167.6167159.6-88.20112.5E751 E752 M758 N759E751-K755 WeakPolarHBondContact O-CB 3.12Å; E751-K755 PolarHBondContact O-N 2.84Å; E752-K755 PolarHBondContact O-N 2.81Å; E752-K755 VanDerWaalsContact O-N 3.13Å; E752-K755 IonicContact OE1-NZ 3.13Å; E752-K755 PolarHBondContact OE1-NZ 2.75Å; E752-K755 IonicContact OE2-NZ 3.85Å; E752-K755 PolarHBondContact OE2-NZ 2.89Å; K755-M758 PolarHBondContact O-N 2.86Å; K755-N759 WeakPolarHBondContact O-CB 3.39Å; K755-N759 PolarHBondContact O-N 3.23Å; K755-N759 PolarHBondContact O-OD1 3.21Å
756V98.1Very high95.9Very high34 Ų3442.7 Ų42.721%0.20622%0.221CC..Hα-helixtrans-63-43.2176.8174.10000111.2T710 E752 K754 N759 H760T710-V756 HydrophobicContact CG2-CG2 4.24Å; E752-V756 HydrophobicContact CG-CG2 4.27Å; E752-V756 WeakPolarHBondContact O-CB 3.47Å; E752-V756 WeakPolarHBondContact O-CG2 3.2Å; E752-V756 PolarHBondContact O-N 2.68Å; E752-V756 WeakPolarHBondContact OE1-CG2 3.37Å; K754-V756 PolarHBondContact O-N 3.15Å; V756-N759 PolarHBondContact O-N 2.87Å; V756-H760 PolarHBondContact O-CD2 3.16Å; V756-H760 PolarHBondContact O-N 2.8Å
757M97.4Very high95.9Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-62.5-45.4174.2179.7178.7167.600112.3F567 L571 I636 F640 V703 S706 L707 A753 K754 N759 H760 L761F567-M757 HydrophobicContact CD1-CE 4.17Å; F567-M757 HydrophobicContact CE1-CE 4.49Å; L571-M757 HydrophobicContact CD1-CE 4.37Å; L571-M757 HydrophobicContact CD1-CG 4.31Å; L571-M757 HydrophobicContact CD1-SD 3.8Å; L571-M757 HydrophobicContact CD2-SD 4.06Å; L571-M757 HydrophobicContact CG-SD 4.49Å; I636-M757 HydrophobicContact CD1-CE 3.59Å; I636-M757 HydrophobicContact CD1-SD 3.77Å; F640-M757 HydrophobicContact CD2-CE 4.05Å; F640-M757 HydrophobicContact CE2-CE 4.04Å; V703-M757 HydrophobicContact CG1-CE 3.93Å; V703-M757 HydrophobicContact CG1-CG 3.89Å; S706-M757 VanDerWaalsContact OG-CA 3.3Å; S706-M757 WeakPolarHBondContact OG-CA 3.46Å; S706-M757 WeakPolarHBondContact OG-CB 3.25Å; L707-M757 HydrophobicContact CD1-SD 3.7Å; L707-M757 HydrophobicContact CD2-CB 3.81Å; L707-M757 HydrophobicContact CD2-CG 4.39Å; L707-M757 HydrophobicContact CD2-SD 3.82Å; L707-M757 HydrophobicContact CG-CB 4.24Å; L707-M757 HydrophobicContact CG-CG 4.46Å; L707-M757 HydrophobicContact CG-SD 3.68Å; A753-M757 PolarHBondContact O-N 2.81Å; A753-M757 VanDerWaalsContact O-N 3.14Å; K754-M757 PolarHBondContact O-N 2.72Å; M757-N759 VanDerWaalsContact C-N 3.34Å; M757-N759 PolarHBondContact O-N 2.91Å; M757-H760 PolarHBondContact O-N 3.05Å; M757-L761 PolarHBondContact O-N 3.11Å
758M97.7Very high95.9Very high11 Ų1139.1 Ų39.15%0.05420%0.204CC..Hα-helixtrans-63.7-39.3179.1-68.5-53.7-5800111.8F564 F567 E568 L571 K754 K755 L761 D762F564-M758 HydrophobicContact CD1-CE 3.73Å; F564-M758 HydrophobicContact CD2-CE 3.66Å; F564-M758 HydrophobicContact CE1-CE 3.48Å; F564-M758 VanDerWaalsContact CE1-CE 3.48Å; F564-M758 HydrophobicContact CE2-CE 3.39Å; F564-M758 HydrophobicContact CG-CE 3.83Å; F564-M758 HydrophobicContact CZ-CB 4.44Å; F564-M758 HydrophobicContact CZ-CE 3.31Å; F564-M758 WeakPolarHBondContact O-CE 3.1Å; F567-M758 HydrophobicContact CB-CE 4.35Å; F567-M758 HydrophobicContact CB-SD 4Å; E568-M758 HydrophobicContact CB-CE 3.96Å; E568-M758 HydrophobicContact CB-SD 4.45Å; L571-M758 HydrophobicContact CD1-CG 4.05Å; L571-M758 HydrophobicContact CD1-SD 3.56Å; L571-M758 VanDerWaalsContact CD1-SD 3.56Å; K754-M758 HydrophobicContact CG-CG 4.33Å; K754-M758 WeakPolarHBondContact O-CG 3.35Å; K754-M758 PolarHBondContact O-N 3.11Å; K755-M758 PolarHBondContact O-N 2.86Å; M758-L761 HydrophobicContact CE-CD2 4.23Å; M758-L761 WeakPolarHBondContact O-CB 3.44Å; M758-L761 PolarHBondContact O-N 3.05Å; M758-L761 HydrophobicContact SD-CD2 4.46Å; M758-D762 PolarHBondContact O-N 3.44Å
759N97.4Very high95.7Very high86 Ų8635.5 Ų35.546%0.4618%0.181SC..Hα-helixtrans-64-40.8174.4-69-5.3000112K755 V756 M757 L761 D762 N763K755-N759 WeakPolarHBondContact O-CB 3.39Å; K755-N759 PolarHBondContact O-N 3.23Å; K755-N759 PolarHBondContact O-OD1 3.21Å; V756-N759 PolarHBondContact O-N 2.87Å; M757-N759 VanDerWaalsContact C-N 3.34Å; M757-N759 PolarHBondContact O-N 2.91Å; N759-L761 VanDerWaalsContact C-N 3.29Å; N759-L761 PolarHBondContact O-N 3.1Å; N759-D762 PolarHBondContact O-N 2.68Å; N759-N763 WeakPolarHBondContact O-CB 3.41Å; N759-N763 VanDerWaalsContact O-CG 3.24Å; N759-N763 PolarHBondContact O-N 2.92Å; N759-N763 PolarHBondContact O-ND2 3.41Å
760H96.3Very high95.6Very high66 Ų6641.4 Ų41.431%0.30621%0.207SC..Hα-helixtrans-65.9-31.8173.7-74.7-56.6000112.8V703 S706 V756 M757 L764V703-H760 HydrophobicContact CB-CB 4.48Å; V703-H760 HydrophobicContact CG2-CB 4.01Å; S706-H760 VanDerWaalsContact CB-CD2 3.48Å; S706-H760 WeakPolarHBondContact CB-CD2 3.48Å; V756-H760 PolarHBondContact O-CD2 3.16Å; V756-H760 PolarHBondContact O-N 2.8Å; M757-H760 PolarHBondContact O-N 3.05Å; H760-L764 WeakPolarHBondContact O-CB 3.44Å; H760-L764 PolarHBondContact O-N 3.4Å; H760-L764 VanDerWaalsContact O-N 3.16Å
761L95.1Very high95.3Very high1 Ų144.2 Ų44.21%0.00522%0.224CC..Hα-helixtrans-73.2-41.4175.4-177.761.4000112.1F564 F567 F644 F653 V703 M757 M758 N759 L764 M765F564-L761 HydrophobicContact CD2-CD2 4.36Å; F564-L761 HydrophobicContact CD2-CG 4.44Å; F567-L761 HydrophobicContact CB-CD2 3.94Å; F567-L761 HydrophobicContact CD2-CD2 3.77Å; F567-L761 HydrophobicContact CG-CD2 3.97Å; F644-L761 HydrophobicContact CE2-CD1 4.4Å; F644-L761 HydrophobicContact CZ-CD1 3.96Å; F653-L761 HydrophobicContact CZ-CD1 4.34Å; V703-L761 HydrophobicContact CG1-CB 4.13Å; M757-L761 PolarHBondContact O-N 3.11Å; M758-L761 HydrophobicContact CE-CD2 4.23Å; M758-L761 WeakPolarHBondContact O-CB 3.44Å; M758-L761 PolarHBondContact O-N 3.05Å; M758-L761 HydrophobicContact SD-CD2 4.46Å; N759-L761 VanDerWaalsContact C-N 3.29Å; N759-L761 PolarHBondContact O-N 3.1Å; L761-L764 WeakPolarHBondContact O-CB 3.29Å; L761-L764 PolarHBondContact O-N 3.45Å; L761-M765 HydrophobicContact CD1-CE 3.94Å; L761-M765 HydrophobicContact CD2-CE 4.19Å; L761-M765 HydrophobicContact CG-CE 3.84Å; L761-M765 WeakPolarHBondContact O-CG 3.33Å; L761-M765 PolarHBondContact O-N 3.03Å
762D94.9Very high95.1Very high63 Ų6341.6 Ų41.634%0.33721%0.212SC..Hα-helixtrans-61.9-51174.6-168.150.6000110.8F564 M758 N759 L764 M765 V766F564-D762 HydrophobicContact CE2-CB 3.89Å; M758-D762 PolarHBondContact O-N 3.44Å; N759-D762 PolarHBondContact O-N 2.68Å; D762-L764 PolarHBondContact O-N 2.94Å; D762-L764 VanDerWaalsContact O-N 3.17Å; D762-M765 CarbonylContact O-C 3.3Å; D762-M765 WeakPolarHBondContact O-CA 3.48Å; D762-M765 WeakPolarHBondContact O-CB 3.39Å; D762-M765 PolarHBondContact O-N 3.23Å; D762-V766 WeakPolarHBondContact O-CG2 3.35Å; D762-V766 PolarHBondContact O-N 3.02Å
763N95.4Very high94.9Very high80 Ų8041.6 Ų41.643%0.42821%0.212SC..Hα-helixtrans-56.2-35.6175.5-71.3-24.8000111.9R699 N759 D767R699-N763 VanDerWaalsContact NH2-C 3.35Å; R699-N763 PolarHBondContact NH2-O 3.5Å; N759-N763 WeakPolarHBondContact O-CB 3.41Å; N759-N763 VanDerWaalsContact O-CG 3.24Å; N759-N763 PolarHBondContact O-N 2.92Å; N759-N763 PolarHBondContact O-ND2 3.41Å; N763-D767 WeakPolarHBondContact O-CB 3.24Å; N763-D767 PolarHBondContact O-N 3.39Å
764L93.9Very high94.7Very high0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-66.8-40.2174.1179.159.3000112.4F644 I696 R699 V703 H760 L761 D762 V768F644-L764 HydrophobicContact CE1-CD2 4.22Å; F644-L764 HydrophobicContact CZ-CD2 4.28Å; I696-L764 HydrophobicContact CG1-CD1 4.06Å; R699-L764 HydrophobicContact CB-CD1 3.78Å; R699-L764 HydrophobicContact CB-CD2 4.48Å; R699-L764 HydrophobicContact CG-CD1 4.42Å; V703-L764 HydrophobicContact CG2-CD2 4.21Å; H760-L764 WeakPolarHBondContact O-CB 3.44Å; H760-L764 PolarHBondContact O-N 3.4Å; H760-L764 VanDerWaalsContact O-N 3.16Å; L761-L764 WeakPolarHBondContact O-CB 3.29Å; L761-L764 PolarHBondContact O-N 3.45Å; D762-L764 PolarHBondContact O-N 2.94Å; D762-L764 VanDerWaalsContact O-N 3.17Å; L764-V768 HydrophobicContact CD1-CG2 4.1Å; L764-V768 WeakPolarHBondContact O-CB 3.24Å; L764-V768 WeakPolarHBondContact O-CG2 3.24Å; L764-V768 PolarHBondContact O-N 2.72Å
765M92Very high94.3Very high5 Ų545.6 Ų45.63%0.02524%0.236CC..Hα-helixtrans-67.6-46.1175.8-67.1172.4178.800111.6M560 I563 F564 F653 L761 D762 V768 L769M560-M765 HydrophobicContact CB-CB 4.45Å; M560-M765 HydrophobicContact CB-CE 4.25Å; M560-M765 HydrophobicContact CB-CG 3.97Å; M560-M765 HydrophobicContact CB-SD 3.89Å; M560-M765 HydrophobicContact CG-CG 4.19Å; M560-M765 WeakPolarHBondContact O-CE 3.4Å; M560-M765 HydrophobicContact SD-CB 3.96Å; M560-M765 HydrophobicContact SD-CG 4.04Å; I563-M765 HydrophobicContact CB-CE 4.45Å; F564-M765 HydrophobicContact CB-CE 3.89Å; F564-M765 HydrophobicContact CB-SD 4.07Å; F564-M765 HydrophobicContact CD2-CE 4.24Å; F564-M765 HydrophobicContact CD2-SD 3.92Å; F564-M765 HydrophobicContact CG-SD 4.47Å; F653-M765 HydrophobicContact CE1-CG 4.06Å; F653-M765 HydrophobicContact CE2-CE 3.94Å; F653-M765 HydrophobicContact CZ-CE 3.54Å; F653-M765 HydrophobicContact CZ-CG 3.69Å; F653-M765 HydrophobicContact CZ-SD 4.47Å; L761-M765 HydrophobicContact CD1-CE 3.94Å; L761-M765 HydrophobicContact CD2-CE 4.19Å; L761-M765 HydrophobicContact CG-CE 3.84Å; L761-M765 WeakPolarHBondContact O-CG 3.33Å; L761-M765 PolarHBondContact O-N 3.03Å; D762-M765 CarbonylContact O-C 3.3Å; D762-M765 WeakPolarHBondContact O-CA 3.48Å; D762-M765 WeakPolarHBondContact O-CB 3.39Å; D762-M765 PolarHBondContact O-N 3.23Å; M765-V768 PolarHBondContact O-N 2.78Å; M765-L769 WeakPolarHBondContact O-CB 3.48Å; M765-L769 VanDerWaalsContact O-CG 3.29Å; M765-L769 WeakPolarHBondContact O-CG 3.37Å; M765-L769 PolarHBondContact O-N 2.65Å
766V92.8Very high94.1Very high70 Ų7040.9 Ų40.942%0.42422%0.215SC..Hα-helixtrans-59.4-51.1178.8170.80000111.1D762 V768 L769 K770D762-V766 WeakPolarHBondContact O-CG2 3.35Å; D762-V766 PolarHBondContact O-N 3.02Å; V766-V768 PolarHBondContact O-N 2.58Å; V766-L769 PolarHBondContact O-N 3.24Å; V766-K770 WeakPolarHBondContact O-CB 3.37Å; V766-K770 PolarHBondContact O-N 3.22Å
767D92.7Very high93.8Very high62 Ų6242.9 Ų42.933%0.33222%0.219SC..Hα-helixtrans-68.2-36.9-177.5-67-34.8000112.2R699 N763 K770 T771R699-D767 IonicContact CZ-OD2 3.87Å; R699-D767 IonicContact NH1-OD2 2.6Å; R699-D767 PolarHBondContact NH1-OD2 3.33Å; R699-D767 IonicContact NH2-OD2 3.53Å; R699-D767 PolarHBondContact NH2-OD2 2.78Å; N763-D767 WeakPolarHBondContact O-CB 3.24Å; N763-D767 PolarHBondContact O-N 3.39Å; D767-K770 PolarHBondContact O-N 3.13Å; D767-T771 WeakPolarHBondContact O-CB 3.48Å; D767-T771 PolarHBondContact O-N 3.08Å; D767-T771 PolarHBondContact O-OG1 3.13Å
768V91.4Very high93.4Very high2 Ų246.2 Ų46.21%0.01224%0.235CC..Hα-helixtrans-64.2-43.3175.4167.80000111.2M560 I657 L692 I696 L764 M765 V766 L772M560-V768 HydrophobicContact CE-CB 4.29Å; M560-V768 HydrophobicContact CE-CG1 3.64Å; I657-V768 HydrophobicContact CD1-CG1 3.94Å; L692-V768 HydrophobicContact CD1-CG1 4.42Å; L692-V768 HydrophobicContact CD2-CB 4.48Å; L692-V768 HydrophobicContact CD2-CG1 4.19Å; L692-V768 HydrophobicContact CD2-CG2 4.47Å; I696-V768 HydrophobicContact CD1-CG1 4.33Å; I696-V768 HydrophobicContact CD1-CG2 3.8Å; I696-V768 HydrophobicContact CG1-CG2 3.68Å; L764-V768 HydrophobicContact CD1-CG2 4.1Å; L764-V768 WeakPolarHBondContact O-CB 3.24Å; L764-V768 WeakPolarHBondContact O-CG2 3.24Å; L764-V768 PolarHBondContact O-N 2.72Å; M765-V768 PolarHBondContact O-N 2.78Å; V766-V768 PolarHBondContact O-N 2.58Å; V768-L772 VanDerWaalsContact O-CB 3.25Å; V768-L772 WeakPolarHBondContact O-CB 3.19Å; V768-L772 PolarHBondContact O-N 3.3Å
769L92.4Very high92.9Very high20 Ų2045.7 Ų45.711%0.10523%0.232CC..Hα-helixtrans-64.8-44.5175.6-72.8167000111.4T553 I556 K557 M560 M765 V766 L772 E773T553-L769 HydrophobicContact CG2-CD2 3.92Å; I556-L769 HydrophobicContact CB-CD2 4.05Å; I556-L769 HydrophobicContact CG2-CD2 3.67Å; K557-L769 HydrophobicContact CB-CD1 3.79Å; K557-L769 HydrophobicContact CB-CD2 4.01Å; K557-L769 HydrophobicContact CD-CD1 4.04Å; K557-L769 HydrophobicContact CG-CD1 3.77Å; M560-L769 HydrophobicContact SD-CD1 4.21Å; M560-L769 HydrophobicContact SD-CD2 4.37Å; M560-L769 HydrophobicContact SD-CG 4.02Å; M765-L769 WeakPolarHBondContact O-CB 3.48Å; M765-L769 VanDerWaalsContact O-CG 3.29Å; M765-L769 WeakPolarHBondContact O-CG 3.37Å; M765-L769 PolarHBondContact O-N 2.65Å; V766-L769 PolarHBondContact O-N 3.24Å; L769-L772 PolarHBondContact O-N 2.9Å; L769-E773 WeakPolarHBondContact O-CB 3.44Å; L769-E773 PolarHBondContact O-N 2.84Å
770K93.6Very high92.5Very high124 Ų12441.7 Ų41.754%0.53921%0.21SC..Hα-helixtrans-63.7-50.9179-178.1178.3175.9-175.20111.7V766 D767 L772 E773 D774V766-K770 WeakPolarHBondContact O-CB 3.37Å; V766-K770 PolarHBondContact O-N 3.22Å; D767-K770 PolarHBondContact O-N 3.13Å; K770-L772 PolarHBondContact O-N 3.2Å; K770-E773 PolarHBondContact O-N 3.49Å; K770-D774 WeakPolarHBondContact CE-OD2 3.44Å; K770-D774 WeakPolarHBondContact CG-OD2 3.2Å; K770-D774 WeakPolarHBondContact O-CB 3.41Å; K770-D774 PolarHBondContact O-N 3.36Å
771T92.8Very high92Very high60 Ų6041.8 Ų41.837%0.36821%0.211SC..Hα-helixtrans-58.8-37.6177.1-59.40000111.3L688 L692 D767 T775L688-T771 HydrophobicContact CD1-CG2 4.01Å; L692-T771 HydrophobicContact CD2-CG2 3.86Å; D767-T771 WeakPolarHBondContact O-CB 3.48Å; D767-T771 PolarHBondContact O-N 3.08Å; D767-T771 PolarHBondContact O-OG1 3.13Å; T771-T775 VanDerWaalsContact O-CB 3.22Å; T771-T775 WeakPolarHBondContact O-CB 3.44Å; T771-T775 PolarHBondContact O-N 3.45Å; T771-T775 VanDerWaalsContact O-N 3.13Å; T771-T775 PolarHBondContact O-OG1 2.91Å
772L92.9Very high91.5Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-66.6-47.3175.7-176.7153000112.4L549 T553 I556 F660 L688 L692 V768 L769 K770 M776L549-L772 HydrophobicContact CD1-CD2 3.85Å; T553-L772 WeakPolarHBondContact OG1-CD2 3.34Å; I556-L772 HydrophobicContact CD1-CD1 3.45Å; I556-L772 VanDerWaalsContact CD1-CD1 3.45Å; I556-L772 HydrophobicContact CD1-CD2 4.35Å; F660-L772 HydrophobicContact CD1-CD1 3.65Å; F660-L772 HydrophobicContact CE1-CD1 3.48Å; F660-L772 VanDerWaalsContact CE1-CD1 3.48Å; F660-L772 HydrophobicContact CE1-CG 4.29Å; F660-L772 HydrophobicContact CE2-CD1 4.34Å; F660-L772 HydrophobicContact CG-CD1 4.23Å; F660-L772 HydrophobicContact CZ-CD1 3.86Å; F660-L772 HydrophobicContact CZ-CG 4.2Å; L688-L772 HydrophobicContact CD2-CB 4.38Å; L688-L772 HydrophobicContact CD2-CG 4.16Å; L692-L772 HydrophobicContact CD1-CB 4.17Å; L692-L772 HydrophobicContact CD1-CD1 4.18Å; V768-L772 VanDerWaalsContact O-CB 3.25Å; V768-L772 WeakPolarHBondContact O-CB 3.19Å; V768-L772 PolarHBondContact O-N 3.3Å; L769-L772 PolarHBondContact O-N 2.9Å; K770-L772 PolarHBondContact O-N 3.2Å; L772-M776 VanDerWaalsContact O-CB 3.32Å; L772-M776 WeakPolarHBondContact O-CB 3.39Å; L772-M776 VanDerWaalsContact O-CG 3.29Å; L772-M776 WeakPolarHBondContact O-CG 3.33Å; L772-M776 PolarHBondContact O-N 3.18Å
773E92.7Very high90.8Very high69 Ų6939.8 Ų39.832%0.32220%0.201SC..Hα-helixtrans-68.9-46.4-177.4-160.3-173.5129.900111.7T553 L769 K770 R777T553-E773 HydrophobicContact CG2-CB 4.47Å; L769-E773 WeakPolarHBondContact O-CB 3.44Å; L769-E773 PolarHBondContact O-N 2.84Å; K770-E773 PolarHBondContact O-N 3.49Å; E773-R777 WeakPolarHBondContact O-CB 3.29Å; E773-R777 PolarHBondContact O-N 3.24Å; E773-R777 IonicContact OE1-CZ 2.68Å; E773-R777 VanDerWaalsContact OE1-CZ 3.3Å; E773-R777 IonicContact OE1-NH1 3.2Å; E773-R777 PolarHBondContact OE1-NH1 3.42Å; E773-R777 IonicContact OE1-NH2 3.82Å; E773-R777 PolarHBondContact OE1-NH2 3.41Å
774D93.1Very high90Very high69 Ų6936.4 Ų36.437%0.36918%0.182SC..Hα-helixtrans-67.3-50.9-178-69.3-14.8000111.3K770 M776 R777 E778K770-D774 WeakPolarHBondContact CE-OD2 3.44Å; K770-D774 WeakPolarHBondContact CG-OD2 3.2Å; K770-D774 WeakPolarHBondContact O-CB 3.41Å; K770-D774 PolarHBondContact O-N 3.36Å; D774-M776 PolarHBondContact O-N 3.13Å; D774-R777 PolarHBondContact O-N 3.39Å; D774-R777 IonicContact OD1-NH1 2.69Å; D774-E778 VanDerWaalsContact O-CB 3.32Å; D774-E778 WeakPolarHBondContact O-CB 3.45Å; D774-E778 PolarHBondContact O-N 2.9Å
775T90.9Very high89.1Confident36 Ų3641.3 Ų41.322%0.22120%0.204CC..Hα-helixtrans-67.1-37.6-178.6-62.80000112.6E684 L688 T771 S779E684-T775 HydrophobicContact CG-CG2 4.09Å; L688-T775 HydrophobicContact CD1-CG2 4.37Å; T771-T775 VanDerWaalsContact O-CB 3.22Å; T771-T775 WeakPolarHBondContact O-CB 3.44Å; T771-T775 PolarHBondContact O-N 3.45Å; T771-T775 VanDerWaalsContact O-N 3.13Å; T771-T775 PolarHBondContact O-OG1 2.91Å; T775-S779 WeakPolarHBondContact O-CB 3.5Å; T775-S779 PolarHBondContact O-N 2.91Å
776M92.5Very high87.9Confident0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-72.3-38.1175.3-65.9-48.6-62.600111.9L549 I662 V681 E685 L688 L772 D774 S779 I780L549-M776 HydrophobicContact CD1-CB 3.66Å; L549-M776 HydrophobicContact CD1-CG 4.18Å; L549-M776 HydrophobicContact CD2-CB 3.85Å; L549-M776 HydrophobicContact CG-CB 4.41Å; I662-M776 HydrophobicContact CD1-CE 3.54Å; I662-M776 HydrophobicContact CG1-CE 4.09Å; V681-M776 HydrophobicContact CG1-CE 3.87Å; E685-M776 HydrophobicContact CB-CE 3.86Å; E685-M776 HydrophobicContact CB-SD 4.36Å; E685-M776 HydrophobicContact CG-CE 4.27Å; L688-M776 HydrophobicContact CD2-CG 3.46Å; L688-M776 VanDerWaalsContact CD2-CG 3.46Å; L688-M776 HydrophobicContact CD2-SD 3.48Å; L688-M776 WeakPolarHBondContact CD2-SD 3.03Å; L772-M776 VanDerWaalsContact O-CB 3.32Å; L772-M776 WeakPolarHBondContact O-CB 3.39Å; L772-M776 VanDerWaalsContact O-CG 3.29Å; L772-M776 WeakPolarHBondContact O-CG 3.33Å; L772-M776 PolarHBondContact O-N 3.18Å; D774-M776 PolarHBondContact O-N 3.13Å; M776-S779 PolarHBondContact O-N 3.44Å; M776-I780 WeakPolarHBondContact O-CB 3.37Å; M776-I780 VanDerWaalsContact O-CD1 3.32Å; M776-I780 WeakPolarHBondContact O-CD1 3.29Å; M776-I780 WeakPolarHBondContact O-CG1 3.38Å; M776-I780 PolarHBondContact O-N 3.12Å
777R91.4Very high86.2Confident76 Ų7644.3 Ų44.329%0.28722%0.218SC..Hα-helixtrans-59.2-52.5173.2178.3178.3-70.8119.60.8110.7L549 E773 D774 S779 I780 E781L549-R777 HydrophobicContact CD2-CB 4.33Å; E773-R777 WeakPolarHBondContact O-CB 3.29Å; E773-R777 PolarHBondContact O-N 3.24Å; E773-R777 IonicContact OE1-CZ 2.68Å; E773-R777 VanDerWaalsContact OE1-CZ 3.3Å; E773-R777 IonicContact OE1-NH1 3.2Å; E773-R777 PolarHBondContact OE1-NH1 3.42Å; E773-R777 IonicContact OE1-NH2 3.82Å; E773-R777 PolarHBondContact OE1-NH2 3.41Å; D774-R777 PolarHBondContact O-N 3.39Å; D774-R777 IonicContact OD1-NH1 2.69Å; R777-S779 VanDerWaalsContact C-N 3.29Å; R777-S779 PolarHBondContact O-N 3.17Å; R777-I780 PolarHBondContact O-N 2.87Å; R777-E781 WeakPolarHBondContact O-CG 3.29Å; R777-E781 PolarHBondContact O-N 3.05Å
778E89.1Confident84.6Confident71 Ų7143.4 Ų43.433%0.33221%0.213SC..Hα-helixtrans-52.2-47.4175.6-171.3-155.6161.800111D774 E781 L782D774-E778 VanDerWaalsContact O-CB 3.32Å; D774-E778 WeakPolarHBondContact O-CB 3.45Å; D774-E778 PolarHBondContact O-N 2.9Å; E778-E781 PolarHBondContact O-N 3.15Å; E778-L782 HydrophobicContact CG-CD1 3.82Å; E778-L782 HydrophobicContact CG-CG 4.42Å; E778-L782 WeakPolarHBondContact O-CB 3.27Å; E778-L782 VanDerWaalsContact O-CG 3.22Å; E778-L782 WeakPolarHBondContact O-CG 3.27Å; E778-L782 PolarHBondContact O-N 3.48Å
779S88.1Confident82.9Confident0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-73.7-27.9-177.9-154.40000114.7K157 E684 T775 M776 R777 S783K157-S779 PolarHBondContact NZ-OG 3.27Å; E684-S779 WeakPolarHBondContact CB-OG 3.44Å; T775-S779 WeakPolarHBondContact O-CB 3.5Å; T775-S779 PolarHBondContact O-N 2.91Å; M776-S779 PolarHBondContact O-N 3.44Å; R777-S779 VanDerWaalsContact C-N 3.29Å; R777-S779 PolarHBondContact O-N 3.17Å; S779-S783 WeakPolarHBondContact O-CB 3.22Å; S779-S783 PolarHBondContact O-N 3.19Å; S779-S783 PolarHBondContact O-OG 2.96Å
780I88.3Confident81.8Confident1 Ų153.5 Ų53.51%0.00527%0.271CS..Hα-helixtrans-69.4-44.7170-64.8159.1000109.1F542 L545 L549 I662 V681 M776 R777 S783 L784F542-I780 HydrophobicContact CD2-CG2 3.58Å; F542-I780 HydrophobicContact CE2-CG2 3.62Å; L545-I780 HydrophobicContact CB-CD1 3.99Å; L545-I780 HydrophobicContact CB-CG1 4.2Å; L545-I780 HydrophobicContact CB-CG2 4.06Å; L545-I780 HydrophobicContact CD1-CG1 4.33Å; L545-I780 HydrophobicContact CD1-CG2 4.14Å; L549-I780 HydrophobicContact CD2-CD1 3.98Å; I662-I780 HydrophobicContact CD1-CD1 3.7Å; I662-I780 HydrophobicContact CD1-CG1 4Å; V681-I780 HydrophobicContact CG1-CG1 4.37Å; M776-I780 WeakPolarHBondContact O-CB 3.37Å; M776-I780 VanDerWaalsContact O-CD1 3.32Å; M776-I780 WeakPolarHBondContact O-CD1 3.29Å; M776-I780 WeakPolarHBondContact O-CG1 3.38Å; M776-I780 PolarHBondContact O-N 3.12Å; R777-I780 PolarHBondContact O-N 2.87Å; I780-S783 PolarHBondContact O-N 3.41Å; I780-L784 HydrophobicContact CG2-CD1 3.92Å; I780-L784 VanDerWaalsContact O-CB 3.26Å; I780-L784 WeakPolarHBondContact O-CB 3.48Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.98Å
781E87.3Confident81.2Confident68 Ų6848.2 Ų48.232%0.31825%0.249SC..Hα-helixtrans-64.3-47.4178.4-70.3-170.5118.200112F542 R777 E778 S783 L784 K785F542-E781 HydrophobicContact CE2-CG 3.71Å; F542-E781 HydrophobicContact CZ-CG 4.01Å; R777-E781 WeakPolarHBondContact O-CG 3.29Å; R777-E781 PolarHBondContact O-N 3.05Å; E778-E781 PolarHBondContact O-N 3.15Å; E781-S783 VanDerWaalsContact C-N 3.29Å; E781-S783 PolarHBondContact O-N 2.65Å; E781-L784 PolarHBondContact O-N 3.48Å; E781-K785 HydrophobicContact CB-CD 4.27Å; E781-K785 HydrophobicContact CG-CD 4.02Å; E781-K785 WeakPolarHBondContact O-CB 3.48Å; E781-K785 PolarHBondContact O-N 3.19Å; E781-K785 IonicContact OE1-NZ 2.85Å; E781-K785 PolarHBondContact OE1-NZ 2.89Å
782L82.9Confident80.7Confident20 Ų2046.9 Ų46.911%0.10524%0.241CC..Hα-helixtrans-59.9-38.2176.7-70.6166.3000112.5L150 I153 L525 E778 T786L150-L782 HydrophobicContact CD1-CD2 3.81Å; I153-L782 HydrophobicContact CD1-CD2 4.12Å; I153-L782 HydrophobicContact CG2-CD1 3.74Å; I153-L782 HydrophobicContact CG2-CD2 4.5Å; L525-L782 HydrophobicContact CD2-CB 4.49Å; E778-L782 HydrophobicContact CG-CD1 3.82Å; E778-L782 HydrophobicContact CG-CG 4.42Å; E778-L782 WeakPolarHBondContact O-CB 3.27Å; E778-L782 VanDerWaalsContact O-CG 3.22Å; E778-L782 WeakPolarHBondContact O-CG 3.27Å; E778-L782 PolarHBondContact O-N 3.48Å; L782-T786 WeakPolarHBondContact CA-OG1 3.16Å; L782-T786 PolarHBondContact O-OG1 3.3Å
783S81.9Confident80.3Confident3 Ų351.7 Ų51.72%0.02127%0.267CS..Hα-helixtrans-75.5-28.5178.7-55.40000113R532 Q677 S779 I780 E781R532-S783 PolarHBondContact NH2-O 3.09Å; R532-S783 VanDerWaalsContact NH2-O 3.08Å; Q677-S783 WeakPolarHBondContact CG-O 3.37Å; S779-S783 WeakPolarHBondContact O-CB 3.22Å; S779-S783 PolarHBondContact O-N 3.19Å; S779-S783 PolarHBondContact O-OG 2.96Å; I780-S783 PolarHBondContact O-N 3.41Å; E781-S783 VanDerWaalsContact C-N 3.29Å; E781-S783 PolarHBondContact O-N 2.65Å
784L78.4Confident80.2Confident8 Ų848.4 Ų48.44%0.04225%0.252CS..Hα-helixtrans-115.9-18.6-167.8-60.6-176.3000116.1R532 I538 V541 F542 L545 Q677 I780 E781R532-L784 PolarHBondContact NH1-O 3.38Å; R532-L784 PolarHBondContact NH2-O 2.84Å; I538-L784 HydrophobicContact CG2-CB 4.16Å; I538-L784 HydrophobicContact CG2-CD2 4.27Å; I538-L784 VanDerWaalsContact CG2-O 3.25Å; I538-L784 WeakPolarHBondContact CG2-O 3.41Å; V541-L784 HydrophobicContact CB-CD1 4.38Å; V541-L784 HydrophobicContact CG1-CD1 3.85Å; V541-L784 HydrophobicContact CG1-CD2 4.31Å; F542-L784 HydrophobicContact CB-CD1 3.88Å; F542-L784 HydrophobicContact CD2-CB 4.04Å; F542-L784 HydrophobicContact CD2-CD1 4.05Å; F542-L784 HydrophobicContact CG-CD1 4.49Å; L545-L784 HydrophobicContact CD1-CD1 3.93Å; Q677-L784 HydrophobicContact CB-CD2 4.01Å; Q677-L784 HydrophobicContact CG-CD2 4.46Å; I780-L784 HydrophobicContact CG2-CD1 3.92Å; I780-L784 VanDerWaalsContact O-CB 3.26Å; I780-L784 WeakPolarHBondContact O-CB 3.48Å; I780-L784 WeakPolarHBondContact O-CG 3.44Å; I780-L784 PolarHBondContact O-N 2.98Å; E781-L784 PolarHBondContact O-N 3.48Å
785K73.8Confident80Confident103 Ų10347.1 Ų47.145%0.44825%0.248SC..SBendtrans-117.3-0.4-175.7-62.5-175.7178.7171.70115.6F542 E781F542-K785 HydrophobicContact CE2-CD 4.33Å; F542-K785 VanDerWaalsContact CE2-CE 3.43Å; F542-K785 HydrophobicContact CE2-CG 4.48Å; F542-K785 VanDerWaalsContact CZ-NZ 3.3Å; E781-K785 HydrophobicContact CB-CD 4.27Å; E781-K785 HydrophobicContact CG-CD 4.02Å; E781-K785 WeakPolarHBondContact O-CB 3.48Å; E781-K785 PolarHBondContact O-N 3.19Å; E781-K785 IonicContact OE1-NZ 2.85Å; E781-K785 PolarHBondContact OE1-NZ 2.89Å
786T66.3Low80Confident27 Ų2748.4 Ų48.417%0.16626%0.262CS..  trans-94.2126-170.4-33.40000112.4L150 R532 L782 D788L150-T786 HydrophobicContact CB-CG2 4.38Å; L150-T786 HydrophobicContact CD1-CG2 4.18Å; L150-T786 HydrophobicContact CD2-CG2 3.65Å; L150-T786 HydrophobicContact CG-CG2 4.28Å; R532-T786 WeakPolarHBondContact CD-O 3.29Å; R532-T786 PolarHBondContact NE-O 2.96Å; R532-T786 PolarHBondContact NH1-O 3Å; L782-T786 WeakPolarHBondContact CA-OG1 3.16Å; L782-T786 PolarHBondContact O-OG1 3.3Å; T786-D788 HydrophobicContact CG2-CB 4.34Å
787D58.1Low80Confident111 Ų11150.7 Ų50.759%0.59427%0.273SS*.  trans-119.328.7-172.3-54.4-38000112.1R532 L789R532-D787 IonicContact NH1-OD1 3.83Å; R532-D787 PolarHBondContact NH1-OD1 2.6Å; D787-L789 PolarHBondContact O-N 2.77Å
788D58Low80Confident43 Ų4347.6 Ų47.623%0.2326%0.262CS..  trans-80.4102.3-174.1-162.5-6000111.8S148 L150 T786 S790S148-D788 WeakPolarHBondContact CB-OD2 3.3Å; S148-D788 PolarHBondContact OG-OD2 3.04Å; L150-D788 HydrophobicContact CD2-CB 3.76Å; T786-D788 HydrophobicContact CG2-CB 4.34Å; D788-S790 PolarHBondContact O-N 3.09Å; D788-S790 VanDerWaalsContact O-N 3.12Å; D788-S790 PolarHBondContact OD1-OG 2.92Å
789L57.3Low80.1Confident172 Ų17251.2 Ų51.290%0.90128%0.279SS*.THydrogen-bonded Turntrans-747.9-174.5-67.5168.4000114.4D787D787-L789 PolarHBondContact O-N 2.77Å
790S69.1Low80.4Confident62 Ų6258 Ų5843%0.43431%0.305SS..THydrogen-bonded Turntrans-98.70.4-174.176.40000115.3D788D788-S790 PolarHBondContact O-N 3.09Å; D788-S790 VanDerWaalsContact O-N 3.12Å; D788-S790 PolarHBondContact OD1-OG 2.92Å
791L79.6Confident80.6Confident14 Ų1458 Ų587%0.07331%0.305CS..PPolyproline II helixtrans-75142.2-170.6-74.7172.5000113.6L144 L150 L154 I526 A529 N530L144-L791 HydrophobicContact CD2-CD2 4.18Å; L150-L791 HydrophobicContact CD2-CD1 3.8Å; L150-L791 HydrophobicContact CD2-CD2 4.06Å; L150-L791 HydrophobicContact CD2-CG 4.13Å; L154-L791 HydrophobicContact CD1-CD2 3.64Å; I526-L791 HydrophobicContact CG2-CB 4.21Å; I526-L791 HydrophobicContact CG2-CD1 4.5Å; I526-L791 HydrophobicContact CG2-CD2 4.46Å; A529-L791 HydrophobicContact CB-CD1 3.54Å; N530-L791 PolarHBondContact ND2-O 3.45Å
792P82.6Confident80.8Confident31 Ų3158.8 Ų58.820%0.20131%0.309CS..PPolyproline II helixtrans-66150178.428.3-35000112.3I526 N530 V794I526-P792 HydrophobicContact CG2-CG 4.41Å; I526-P792 WeakPolarHBondContact CG2-O 3.31Å; N530-P792 PolarHBondContact ND2-O 3.08Å; P792-V794 HydrophobicContact CB-CG1 4.49Å; P792-V794 HydrophobicContact CG-CG1 4.21Å; P792-V794 PolarHBondContact O-N 3.23Å
793D85.9Confident81.2Confident101 Ų10164.2 Ų64.254%0.5433%0.331SS..PPolyproline II helixtrans-70.6126.7164.5-175.119.3000109.8H527 S795H527-D793 IonicContact ND1-OD1 3.66Å; D793-S795 VanDerWaalsContact OD1-CB 3.25Å; D793-S795 WeakPolarHBondContact OD1-CB 3.41Å; D793-S795 PolarHBondContact OD1-N 3.06Å; D793-S795 PolarHBondContact OD1-OG 3.39Å; D793-S795 VanDerWaalsContact OD1-OG 3.04Å; D793-S795 PolarHBondContact OD2-OG 2.76Å
794V89.7Confident81.7Confident0 Ų065.1 Ų65.10%034%0.336CS..  trans-126.116.6-179.3-58.80000112.2I140 L523 I526 H527 P792 A796 Q797 L798I140-V794 HydrophobicContact CD1-CG1 4.32Å; I140-V794 HydrophobicContact CG1-CG1 4.31Å; L523-V794 HydrophobicContact CD2-CB 3.63Å; L523-V794 HydrophobicContact CD2-CG1 4.28Å; L523-V794 HydrophobicContact CD2-CG2 3.77Å; I526-V794 HydrophobicContact CB-CG2 3.9Å; I526-V794 HydrophobicContact CG2-CB 4.49Å; I526-V794 HydrophobicContact CG2-CG1 3.96Å; I526-V794 HydrophobicContact CG2-CG2 3.68Å; H527-V794 HydrophobicContact CB-CG2 4.07Å; P792-V794 HydrophobicContact CB-CG1 4.49Å; P792-V794 HydrophobicContact CG-CG1 4.21Å; P792-V794 PolarHBondContact O-N 3.23Å; V794-A796 PolarHBondContact O-N 2.75Å; V794-Q797 VanDerWaalsContact C-OE1 3.3Å; V794-Q797 HydrophobicContact CB-CB 4.39Å; V794-Q797 WeakPolarHBondContact O-CB 3.47Å; V794-Q797 PolarHBondContact O-N 3.2Å; V794-Q797 VanDerWaalsContact O-N 3.16Å; V794-Q797 PolarHBondContact O-OE1 3.37Å; V794-L798 WeakPolarHBondContact O-CB 3.47Å; V794-L798 PolarHBondContact O-N 2.83Å
795S88.8Confident82.2Confident42 Ų4265.5 Ų65.529%0.29434%0.337SS..Hα-helixtrans-50.6-54.6-177.953.60000113.3D793 Q797 L798 E799D793-S795 VanDerWaalsContact OD1-CB 3.25Å; D793-S795 WeakPolarHBondContact OD1-CB 3.41Å; D793-S795 PolarHBondContact OD1-N 3.06Å; D793-S795 PolarHBondContact OD1-OG 3.39Å; D793-S795 VanDerWaalsContact OD1-OG 3.04Å; D793-S795 PolarHBondContact OD2-OG 2.76Å; S795-Q797 VanDerWaalsContact C-N 3.31Å; S795-Q797 PolarHBondContact O-N 2.8Å; S795-L798 WeakPolarHBondContact O-CB 3.45Å; S795-L798 PolarHBondContact O-N 3.19Å; S795-E799 PolarHBondContact O-N 2.67Å
796A90.4Very high82.9Confident63 Ų6364 Ų6452%0.52133%0.334SS..Hα-helixtrans-65.2-32.5178.900000113.3V794 R800V794-A796 PolarHBondContact O-N 2.75Å; A796-R800 WeakPolarHBondContact O-CB 3.4Å; A796-R800 PolarHBondContact O-N 3.12Å; A796-R800 VanDerWaalsContact O-N 3.14Å
797Q93.3Very high84Confident48 Ų4866.1 Ų66.122%0.22434%0.342CS..Hα-helixtrans-70.5-40.2175.9-62.587.3-3800110.6T136 I140 L523 V794 S795 R800 V801T136-Q797 HydrophobicContact CG2-CB 3.81Å; T136-Q797 HydrophobicContact CG2-CG 3.79Å; I140-Q797 HydrophobicContact CD1-CB 4.37Å; I140-Q797 HydrophobicContact CD1-CG 4.42Å; L523-Q797 HydrophobicContact CD2-CB 3.77Å; V794-Q797 VanDerWaalsContact C-OE1 3.3Å; V794-Q797 HydrophobicContact CB-CB 4.39Å; V794-Q797 WeakPolarHBondContact O-CB 3.47Å; V794-Q797 PolarHBondContact O-N 3.2Å; V794-Q797 VanDerWaalsContact O-N 3.16Å; V794-Q797 PolarHBondContact O-OE1 3.37Å; S795-Q797 VanDerWaalsContact C-N 3.31Å; S795-Q797 PolarHBondContact O-N 2.8Å; Q797-R800 PolarHBondContact O-N 2.99Å; Q797-V801 WeakPolarHBondContact O-CB 3.02Å; Q797-V801 WeakPolarHBondContact O-CG2 3.26Å; Q797-V801 PolarHBondContact O-N 3.19Å
798L91.6Very high85.3Confident12 Ų1260.9 Ų60.96%0.06331%0.313CS..Hα-helixtrans-62.1-51175.3176.758000111.2L523 H527 L676 V794 S795 R800 V801 Q802L523-L798 HydrophobicContact CB-CB 4.15Å; L523-L798 HydrophobicContact CB-CD1 3.77Å; L523-L798 HydrophobicContact CB-CG 4.5Å; H527-L798 HydrophobicContact CB-CD2 4.03Å; L676-L798 HydrophobicContact CD2-CD2 3.93Å; V794-L798 WeakPolarHBondContact O-CB 3.47Å; V794-L798 PolarHBondContact O-N 2.83Å; S795-L798 WeakPolarHBondContact O-CB 3.45Å; S795-L798 PolarHBondContact O-N 3.19Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.03Å; L798-V801 PolarHBondContact O-N 2.7Å; L798-Q802 VanDerWaalsContact O-CB 3.29Å; L798-Q802 WeakPolarHBondContact O-CB 3.39Å; L798-Q802 PolarHBondContact O-N 3.49Å
799E91.8Very high86.6Confident147 Ų14765.2 Ų65.269%0.68733%0.327SS*.Hα-helixtrans-57-44175.9-71-170.4160.500112S795 Q802 K803S795-E799 PolarHBondContact O-N 2.67Å; E799-Q802 PolarHBondContact O-N 3.12Å; E799-K803 PolarHBondContact O-N 3.35Å
800R92.7Very high87.6Confident142 Ų14261.6 Ų61.654%0.53632%0.315SS..Hα-helixtrans-62.5-46.8178.7-172.8-177.5-171.1-179.65.9112T132 A796 Q797 L798 K803 L804T132-R800 VanDerWaalsContact CG2-NH2 3.33Å; A796-R800 WeakPolarHBondContact O-CB 3.4Å; A796-R800 PolarHBondContact O-N 3.12Å; A796-R800 VanDerWaalsContact O-N 3.14Å; Q797-R800 PolarHBondContact O-N 2.99Å; L798-R800 VanDerWaalsContact C-N 3.31Å; L798-R800 PolarHBondContact O-N 3.03Å; R800-K803 PolarHBondContact O-N 3.2Å; R800-L804 HydrophobicContact CG-CD1 4.43Å; R800-L804 WeakPolarHBondContact O-CG 3.3Å; R800-L804 PolarHBondContact O-N 2.93Å; R800-L804 VanDerWaalsContact O-N 3.17Å
801V92.6Very high87.4Confident0 Ų065.2 Ų65.20%034%0.339CS..Hα-helixtrans-71.5-33.6-180173.90000111.3V133 T136 V516 A519 H520 L523 Q797 L798 L804 R805V133-V801 HydrophobicContact CG1-CG1 4.22Å; V133-V801 HydrophobicContact CG1-CG2 4Å; V133-V801 HydrophobicContact CG2-CG2 4.16Å; T136-V801 HydrophobicContact CG2-CG2 4.44Å; V516-V801 HydrophobicContact CG1-CG1 4.13Å; A519-V801 HydrophobicContact CB-CG1 4.22Å; H520-V801 HydrophobicContact CB-CG1 4.09Å; L523-V801 HydrophobicContact CD1-CB 3.66Å; L523-V801 HydrophobicContact CD1-CG1 3.98Å; L523-V801 HydrophobicContact CD1-CG2 3.56Å; Q797-V801 WeakPolarHBondContact O-CB 3.02Å; Q797-V801 WeakPolarHBondContact O-CG2 3.26Å; Q797-V801 PolarHBondContact O-N 3.19Å; L798-V801 PolarHBondContact O-N 2.7Å; V801-L804 PolarHBondContact O-N 3.46Å; V801-R805 VanDerWaalsContact O-CB 3.29Å; V801-R805 WeakPolarHBondContact O-CB 3.31Å; V801-R805 PolarHBondContact O-N 3.48Å
802Q91.7Very high87.8Confident86 Ų8667.8 Ų67.840%0.40235%0.353SS..Hα-helixtrans-61.5-49.1171.4-176.2171.8-3.600111.9L798 E799 L804 R805 D806L798-Q802 VanDerWaalsContact O-CB 3.29Å; L798-Q802 WeakPolarHBondContact O-CB 3.39Å; L798-Q802 PolarHBondContact O-N 3.49Å; E799-Q802 PolarHBondContact O-N 3.12Å; Q802-L804 VanDerWaalsContact C-N 3.33Å; Q802-L804 PolarHBondContact O-N 3.32Å; Q802-R805 WeakPolarHBondContact O-CB 3.28Å; Q802-R805 PolarHBondContact O-N 3.48Å; Q802-R805 VanDerWaalsContact O-N 3.11Å; Q802-D806 PolarHBondContact O-N 2.94Å
803K92.3Very high88.1Confident134 Ų13469.7 Ų69.758%0.58336%0.361SS*.Hα-helixtrans-56.9-45.9176.4-174.5173.6-176.1-78.90112E799 R800 R805 D806 E807E799-K803 PolarHBondContact O-N 3.35Å; R800-K803 PolarHBondContact O-N 3.2Å; K803-R805 VanDerWaalsContact C-N 3.34Å; K803-R805 PolarHBondContact O-N 2.84Å; K803-D806 PolarHBondContact O-N 3Å; K803-E807 WeakPolarHBondContact CE-OE1 3.25Å; K803-E807 IonicContact NZ-OE1 2.61Å; K803-E807 PolarHBondContact NZ-OE1 2.96Å; K803-E807 WeakPolarHBondContact O-CB 3.2Å; K803-E807 VanDerWaalsContact O-CG 3.29Å; K803-E807 WeakPolarHBondContact O-CG 3.44Å; K803-E807 PolarHBondContact O-N 3.46Å
804L90.8Very high88.2Confident22 Ų2268 Ų6812%0.11535%0.351CS..Hα-helixtrans-64.8-35.6177.3-66.9170.8000112.5M129 T132 V133 R800 V801 Q802 L808M129-L804 HydrophobicContact CB-CD2 4.33Å; M129-L804 HydrophobicContact CE-CB 4.13Å; M129-L804 HydrophobicContact CE-CD2 3.67Å; M129-L804 VanDerWaalsContact CE-O 3.31Å; M129-L804 WeakPolarHBondContact CE-O 3.05Å; M129-L804 HydrophobicContact CG-CD2 3.98Å; T132-L804 HydrophobicContact CG2-CD1 4.03Å; V133-L804 HydrophobicContact CG2-CD1 3.67Å; R800-L804 HydrophobicContact CG-CD1 4.43Å; R800-L804 WeakPolarHBondContact O-CG 3.3Å; R800-L804 PolarHBondContact O-N 2.93Å; R800-L804 VanDerWaalsContact O-N 3.17Å; V801-L804 PolarHBondContact O-N 3.46Å; Q802-L804 VanDerWaalsContact C-N 3.33Å; Q802-L804 PolarHBondContact O-N 3.32Å; L804-L808 WeakPolarHBondContact O-CB 3.32Å; L804-L808 VanDerWaalsContact O-CG 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.26Å; L804-L808 PolarHBondContact O-N 3.31Å
805R89.2Confident88.1Confident16 Ų1672 Ų726%0.0637%0.371CS..Hα-helixtrans-66.9-42.4176.1-172.5-175.7-178.7-148.98.9112.2V516 S517 H520 V801 Q802 K803 L808 R809V516-R805 HydrophobicContact CG1-CB 3.8Å; V516-R805 HydrophobicContact CG1-CG 4.34Å; S517-R805 PolarHBondContact OG-NE 3.24Å; S517-R805 VanDerWaalsContact OG-NE 3.13Å; H520-R805 WeakPolarHBondContact CD2-CD 3.49Å; H520-R805 PolarHBondContact CE1-NH1 3.25Å; H520-R805 PolarHBondContact NE2-NH1 2.81Å; V801-R805 VanDerWaalsContact O-CB 3.29Å; V801-R805 WeakPolarHBondContact O-CB 3.31Å; V801-R805 PolarHBondContact O-N 3.48Å; Q802-R805 WeakPolarHBondContact O-CB 3.28Å; Q802-R805 PolarHBondContact O-N 3.48Å; Q802-R805 VanDerWaalsContact O-N 3.11Å; K803-R805 VanDerWaalsContact C-N 3.34Å; K803-R805 PolarHBondContact O-N 2.84Å; R805-L808 PolarHBondContact O-N 3.1Å; R805-R809 WeakPolarHBondContact O-CB 3.32Å; R805-R809 VanDerWaalsContact O-CG 3.26Å; R805-R809 WeakPolarHBondContact O-CG 3.48Å; R805-R809 PolarHBondContact O-N 2.97Å
806D89.2Confident88.1Confident72 Ų7273.9 Ų73.939%0.38538%0.376SS..Hα-helixtrans-77.3-30.8-179.1-68.5-26.6000111.7Q802 K803 R809 S810Q802-D806 PolarHBondContact O-N 2.94Å; K803-D806 PolarHBondContact O-N 3Å; D806-R809 PolarHBondContact O-N 3Å; D806-R809 IonicContact OD1-NH1 2.91Å; D806-S810 PolarHBondContact O-N 2.96Å
807E89.3Confident87.9Confident71 Ų7174.6 Ų74.633%0.33237%0.367SS..Hα-helixtrans-59.7-52.4165.3-77.1170.1-178.500111.2M129 K803 R809 S810M129-E807 HydrophobicContact CE-CB 3.68Å; K803-E807 WeakPolarHBondContact CE-OE1 3.25Å; K803-E807 IonicContact NZ-OE1 2.61Å; K803-E807 PolarHBondContact NZ-OE1 2.96Å; K803-E807 WeakPolarHBondContact O-CB 3.2Å; K803-E807 VanDerWaalsContact O-CG 3.29Å; K803-E807 WeakPolarHBondContact O-CG 3.44Å; K803-E807 PolarHBondContact O-N 3.46Å; E807-R809 VanDerWaalsContact C-N 3.29Å; E807-R809 PolarHBondContact O-N 2.89Å; E807-S810 WeakPolarHBondContact O-CB 3.49Å; E807-S810 PolarHBondContact O-N 2.89Å; E807-S810 PolarHBondContact O-OG 3.4Å
808L86.4Confident87.6Confident0 Ų076.5 Ų76.50%038%0.377CS..Hα-helixtrans-57.1-39.6175.9-76.2166.3000112.7E126 M129 H509 T512 L513 V516 L804 R805 S810 C811E126-L808 HydrophobicContact CG-CD2 3.82Å; M129-L808 HydrophobicContact CE-CD2 4.3Å; M129-L808 HydrophobicContact CE-CG 3.82Å; M129-L808 HydrophobicContact SD-CD2 4.07Å; M129-L808 HydrophobicContact SD-CG 4.25Å; H509-L808 PolarHBondContact CE1-O 3.37Å; H509-L808 VanDerWaalsContact CE1-O 3.3Å; T512-L808 HydrophobicContact CG2-CD1 3.89Å; T512-L808 HydrophobicContact CG2-CD2 4.01Å; L513-L808 HydrophobicContact CD1-CB 4.18Å; V516-L808 HydrophobicContact CB-CD1 4.01Å; V516-L808 HydrophobicContact CG1-CD1 4.12Å; V516-L808 HydrophobicContact CG2-CD1 3.83Å; L804-L808 WeakPolarHBondContact O-CB 3.32Å; L804-L808 VanDerWaalsContact O-CG 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.26Å; L804-L808 PolarHBondContact O-N 3.31Å; R805-L808 PolarHBondContact O-N 3.1Å; L808-S810 PolarHBondContact O-N 2.61Å; L808-S810 VanDerWaalsContact O-N 3.17Å; L808-C811 PolarHBondContact O-N 2.9Å
809R83.9Confident87.3Confident135 Ų13581.5 Ų81.551%0.50940%0.401SS..THydrogen-bonded Turntrans-68.5-6.8177.2-76.9170.4158.6-168.1-10.3114.6L513 R805 D806 E807L513-R809 HydrophobicContact CD1-CG 3.85Å; R805-R809 WeakPolarHBondContact O-CB 3.32Å; R805-R809 VanDerWaalsContact O-CG 3.26Å; R805-R809 WeakPolarHBondContact O-CG 3.48Å; R805-R809 PolarHBondContact O-N 2.97Å; D806-R809 PolarHBondContact O-N 3Å; D806-R809 IonicContact OD1-NH1 2.91Å; E807-R809 VanDerWaalsContact C-N 3.29Å; E807-R809 PolarHBondContact O-N 2.89Å
810S78.1Confident86.9Confident95 Ų9576 Ų7666%0.66438%0.377SS*.THydrogen-bonded Turntrans-102-4.6-179.576.20000114.6D806 E807 L808D806-S810 PolarHBondContact O-N 2.96Å; E807-S810 WeakPolarHBondContact O-CB 3.49Å; E807-S810 PolarHBondContact O-N 2.89Å; E807-S810 PolarHBondContact O-OG 3.4Å; L808-S810 PolarHBondContact O-N 2.61Å; L808-S810 VanDerWaalsContact O-N 3.17Å
811C66.3Low86.3Confident139 Ų13970 Ų7094%0.93936%0.363SS*.  trans-82.60179.1-61.60000113.5L808L808-C811 PolarHBondContact O-N 2.9Å

Retrieved 811 of 811 residues in 1234.4 ms (Link to these results)

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