A0A077Z6H1_TRITR Loading...

Junctophilin 1

AlphaFold DB , UniProt , Accession A0A077Z6H1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 892 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
1M54.7Low83.1Confident197 Ų19787.9 Ų87.997%0.9748%0.479SS*.  01340-72173.1169.700107.2G3 F418M1-G3 PolarHBondContact O-N 3.26Å; M1-F418 HydrophobicContact CB-CZ 4.33Å
2N79Confident83.3Confident137 Ų13780.6 Ų80.673%0.73344%0.439SS*.  trans-83.7114.4173-682.8000107.4G17 W18N2-G17 WeakPolarHBondContact O-CA 3.44Å; N2-W18 PolarHBondContact O-N 3.26Å
3G85.5Confident83.7Confident31 Ų3175.9 Ų75.932%0.3242%0.415SS..EExtended strand (participates in β ladder)trans-156.8161.8-175.500000110.5M1 G16M1-G3 PolarHBondContact O-N 3.26Å; G3-G16 CarbonylContact C-O 3.57Å; G3-G16 WeakPolarHBondContact CA-O 3.47Å
4G90.5Very high84.2Confident19 Ų1970.7 Ų70.720%0.19639%0.386CS..EExtended strand (participates in β ladder)trans173171.1-174.200000113.5G16 W18G4-G16 PolarHBondContact N-O 3.15Å; G4-G16 PolarHBondContact O-N 3.33Å; G4-W18 PolarHBondContact O-NE1 3.05Å; G4-W18 VanDerWaalsContact O-NE1 3.14Å
5R91.1Very high84.8Confident128 Ų12866 Ų6648%0.48336%0.36SS..EExtended strand (participates in β ladder)trans-94.8138.6175.2178.5168.8177.3-77.9-0.5110.9D7 Y14 C15 A419R5-D7 VanDerWaalsContact CZ-CG 3.44Å; R5-D7 IonicContact CZ-OD1 2.89Å; R5-D7 IonicContact CZ-OD2 3.14Å; R5-D7 IonicContact NE-OD1 2.66Å; R5-D7 PolarHBondContact NE-OD1 3.16Å; R5-D7 VanDerWaalsContact NH1-CG 3.27Å; R5-D7 IonicContact NH1-OD1 3.06Å; R5-D7 PolarHBondContact NH1-OD1 3.14Å; R5-D7 IonicContact NH1-OD2 2.74Å; R5-D7 PolarHBondContact NH1-OD2 2.69Å; R5-D7 IonicContact NH2-OD1 2.85Å; R5-D7 PolarHBondContact NH2-OD1 2.92Å; R5-D7 IonicContact NH2-OD2 2.83Å; R5-D7 PolarHBondContact NH2-OD2 3.16Å; R5-Y14 CarbonylContact C-O 3.3Å; R5-Y14 VanDerWaalsContact CA-O 3.26Å; R5-Y14 WeakPolarHBondContact CA-O 3.15Å; R5-C15 VanDerWaalsContact CG-SG 3.54Å; R5-A419 HydrophobicContact CB-CB 4.25Å
6F89.6Confident85.3Confident99 Ų9961.9 Ų61.943%0.43434%0.338SS..EExtended strand (participates in β ladder)trans-134.2136.4173.7-176.9-86.7000109.3F8 T13 Y14 W18F6-F8 AromaticContact CD1-CD1 3.93Å; F6-F8 HydrophobicContact CD1-CD1 3.93Å; F6-F8 AromaticContact CD1-CE1 3.78Å; F6-F8 HydrophobicContact CD1-CE1 3.78Å; F6-F8 HydrophobicContact CD1-CG 4.34Å; F6-F8 HydrophobicContact CD1-CZ 4.08Å; F6-F8 AromaticContact CE1-CD1 3.57Å; F6-F8 HydrophobicContact CE1-CD1 3.57Å; F6-F8 AromaticContact CE1-CE1 3.7Å; F6-F8 HydrophobicContact CE1-CE1 3.7Å; F6-F8 HydrophobicContact CE1-CG 4.23Å; F6-F8 HydrophobicContact CE1-CZ 4.45Å; F6-T13 CarbonylContact O-C 3.57Å; F6-T13 WeakPolarHBondContact O-CA 3.42Å; F6-Y14 PolarHBondContact N-O 3.37Å; F6-Y14 PolarHBondContact O-N 3.21Å; F6-W18 HydrophobicContact CB-CH2 4.01Å; F6-W18 HydrophobicContact CB-CZ2 3.54Å; F6-W18 HydrophobicContact CD2-CH2 4.5Å; F6-W18 HydrophobicContact CG-CH2 4.17Å; F6-W18 HydrophobicContact CG-CZ2 4.2Å
7D88.7Confident85.7Confident75 Ų7558.9 Ų58.940%0.40132%0.324SS..EExtended strand (participates in β ladder)trans-108.8133179.2-65.8-12.6000109.5R5 T13R5-D7 VanDerWaalsContact CZ-CG 3.44Å; R5-D7 IonicContact CZ-OD1 2.89Å; R5-D7 IonicContact CZ-OD2 3.14Å; R5-D7 IonicContact NE-OD1 2.66Å; R5-D7 PolarHBondContact NE-OD1 3.16Å; R5-D7 VanDerWaalsContact NH1-CG 3.27Å; R5-D7 IonicContact NH1-OD1 3.06Å; R5-D7 PolarHBondContact NH1-OD1 3.14Å; R5-D7 IonicContact NH1-OD2 2.74Å; R5-D7 PolarHBondContact NH1-OD2 2.69Å; R5-D7 IonicContact NH2-OD1 2.85Å; R5-D7 PolarHBondContact NH2-OD1 2.92Å; R5-D7 IonicContact NH2-OD2 2.83Å; R5-D7 PolarHBondContact NH2-OD2 3.16Å; D7-T13 WeakPolarHBondContact OD1-CG2 3.24Å
8F85.3Confident86.1Confident21 Ų2159.6 Ų59.69%0.09232%0.322CS..  trans-91.2145.4177.7-61.1-75.8000110.3F6 D10 G11 G12 L657 M661F6-F8 AromaticContact CD1-CD1 3.93Å; F6-F8 HydrophobicContact CD1-CD1 3.93Å; F6-F8 AromaticContact CD1-CE1 3.78Å; F6-F8 HydrophobicContact CD1-CE1 3.78Å; F6-F8 HydrophobicContact CD1-CG 4.34Å; F6-F8 HydrophobicContact CD1-CZ 4.08Å; F6-F8 AromaticContact CE1-CD1 3.57Å; F6-F8 HydrophobicContact CE1-CD1 3.57Å; F6-F8 AromaticContact CE1-CE1 3.7Å; F6-F8 HydrophobicContact CE1-CE1 3.7Å; F6-F8 HydrophobicContact CE1-CG 4.23Å; F6-F8 HydrophobicContact CE1-CZ 4.45Å; F8-D10 WeakPolarHBondContact CB-OD1 3.09Å; F8-D10 PolarHBondContact O-N 2.89Å; F8-G11 PolarHBondContact O-N 2.93Å; F8-G12 PolarHBondContact N-O 2.91Å; F8-L657 HydrophobicContact CE1-CD2 4.18Å; F8-L657 HydrophobicContact CZ-CD2 3.98Å; F8-M661 HydrophobicContact CD2-CE 4.36Å; F8-M661 HydrophobicContact CE2-CE 4.35Å
9D86.3Confident86.4Confident174 Ų17460.3 Ų60.393%0.9332%0.322SS*.THydrogen-bonded Turntrans-58.2-14.7-179.1-56.3-51000114.4
10D82.1Confident86.6Confident36 Ų3664 Ų6419%0.19334%0.342CS..THydrogen-bonded Turntrans-95.55.2178.459.930.2000114.3F8 G12 P32 K33 N658F8-D10 WeakPolarHBondContact CB-OD1 3.09Å; F8-D10 PolarHBondContact O-N 2.89Å; D10-G12 PolarHBondContact OD1-N 2.89Å; D10-P32 HydrophobicContact CB-CB 3.98Å; D10-P32 HydrophobicContact CB-CG 4.32Å; D10-K33 PolarHBondContact O-N 3.03Å; D10-K33 VanDerWaalsContact O-N 3.09Å; D10-N658 PolarHBondContact OD2-ND2 3.02Å
11G81.2Confident86.6Confident50 Ų5064.1 Ų64.152%0.51536%0.359SS..SBendtrans83.55.7-179.900000114.7F8F8-G11 PolarHBondContact O-N 2.93Å
12G85.1Confident88.4Confident0 Ų059.5 Ų59.50%033%0.333CS..  trans-70.3163.6161.400000112F8 D10 T30F8-G12 PolarHBondContact N-O 2.91Å; D10-G12 PolarHBondContact OD1-N 2.89Å; G12-T30 WeakPolarHBondContact CA-O 3.38Å
13T89.1Confident89Confident20 Ų2053.1 Ų53.112%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-142150.3175.567.20000110.9F6 D7 C29 T30F6-T13 CarbonylContact O-C 3.57Å; F6-T13 WeakPolarHBondContact O-CA 3.42Å; D7-T13 WeakPolarHBondContact OD1-CG2 3.24Å; T13-C29 CarbonylContact O-C 3.14Å; T13-C29 VanDerWaalsContact O-CA 3.26Å; T13-C29 WeakPolarHBondContact O-CA 3.45Å; T13-T30 PolarHBondContact N-O 3.38Å; T13-T30 PolarHBondContact N-OG1 3.45Å; T13-T30 PolarHBondContact O-N 3.16Å; T13-T30 PolarHBondContact OG1-OG1 3.34Å
14Y91Very high89.4Confident3 Ų354.2 Ų54.21%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-123.2131.4169.8178.8-89.7000110R5 F6 G17 W18 A23 V28 C29 W42R5-Y14 CarbonylContact C-O 3.3Å; R5-Y14 VanDerWaalsContact CA-O 3.26Å; R5-Y14 WeakPolarHBondContact CA-O 3.15Å; F6-Y14 PolarHBondContact N-O 3.37Å; F6-Y14 PolarHBondContact O-N 3.21Å; Y14-G17 PolarHBondContact OH-O 3.15Å; Y14-W18 AromaticContact CD1-CE2 3.72Å; Y14-W18 HydrophobicContact CD1-CH2 4.33Å; Y14-W18 AromaticContact CD1-CZ2 3.44Å; Y14-W18 HydrophobicContact CD1-CZ2 3.44Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.44Å; Y14-W18 AromaticContact CD1-NE1 3.79Å; Y14-W18 AromaticContact CE1-CE2 3.81Å; Y14-W18 AromaticContact CE1-CZ2 3.96Å; Y14-W18 HydrophobicContact CE1-CZ2 3.96Å; Y14-W18 AromaticContact CE1-NE1 3.71Å; Y14-W18 HydrophobicContact CG-CZ2 4.27Å; Y14-A23 HydrophobicContact CD2-CB 4.36Å; Y14-A23 HydrophobicContact CE1-CB 4.15Å; Y14-A23 HydrophobicContact CE2-CB 3.61Å; Y14-A23 VanDerWaalsContact CZ-CB 3.49Å; Y14-V28 CarbonylContact C-O 3.53Å; Y14-V28 WeakPolarHBondContact CA-O 3.34Å; Y14-C29 HydrophobicContact CD2-CB 4.04Å; Y14-W42 HydrophobicContact CD2-CZ2 4.29Å; Y14-W42 AromaticContact CE2-CD2 3.99Å; Y14-W42 HydrophobicContact CE2-CD2 3.99Å; Y14-W42 AromaticContact CE2-CE2 3.62Å; Y14-W42 HydrophobicContact CE2-CG 4.29Å; Y14-W42 AromaticContact CE2-CZ2 3.97Å; Y14-W42 HydrophobicContact CE2-CZ2 3.97Å; Y14-W42 AromaticContact CE2-NE1 3.68Å
15C92.7Very high89.5Confident0 Ų054.5 Ų54.50%030%0.299CS..EExtended strand (participates in β ladder)trans-129.9108.3173.1-65.50000109.4R5 G27 V28 A415 F422R5-C15 VanDerWaalsContact CG-SG 3.54Å; C15-G27 CarbonylContact O-C 3.57Å; C15-G27 VanDerWaalsContact O-CA 3.27Å; C15-G27 WeakPolarHBondContact O-CA 3.35Å; C15-V28 PolarHBondContact N-O 3.34Å; C15-V28 PolarHBondContact O-N 2.71Å; C15-A415 HydrophobicContact CB-CB 3.78Å; C15-F422 HydrophobicContact CB-CD1 4.39Å; C15-F422 HydrophobicContact CB-CE1 4.42Å; C15-F422 VanDerWaalsContact SG-CD2 3.54Å
16G93.3Very high89.8Confident0 Ų050.8 Ų50.80%029%0.287CS..EExtended strand (participates in β ladder)trans177.8-165.5-174.400000114.2G3 G4 W18 H26G3-G16 CarbonylContact C-O 3.57Å; G3-G16 WeakPolarHBondContact CA-O 3.47Å; G4-G16 PolarHBondContact N-O 3.15Å; G4-G16 PolarHBondContact O-N 3.33Å; G16-W18 VanDerWaalsContact O-CD1 3.32Å; G16-H26 WeakPolarHBondContact CA-O 3.45Å
17G91.9Very high90Very high11 Ų1146.1 Ų46.111%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-76153.4176.800000114N2 Y14 H24 H26N2-G17 WeakPolarHBondContact O-CA 3.44Å; Y14-G17 PolarHBondContact OH-O 3.15Å; G17-H24 CarbonylContact C-O 3.53Å; G17-H24 WeakPolarHBondContact CA-O 3.48Å; G17-H24 PolarHBondContact O-N 2.76Å; G17-H24 VanDerWaalsContact O-O 3.12Å; G17-H26 PolarHBondContact N-O 3.4Å
18W92.2Very high90.2Very high72 Ų7242.5 Ų42.527%0.27325%0.247SC..EExtended strand (participates in β ladder)trans-134.1132.3-178-69.688.7000112.1N2 G4 F6 Y14 G16 K22N2-W18 PolarHBondContact O-N 3.26Å; G4-W18 PolarHBondContact O-NE1 3.05Å; G4-W18 VanDerWaalsContact O-NE1 3.14Å; F6-W18 HydrophobicContact CB-CH2 4.01Å; F6-W18 HydrophobicContact CB-CZ2 3.54Å; F6-W18 HydrophobicContact CD2-CH2 4.5Å; F6-W18 HydrophobicContact CG-CH2 4.17Å; F6-W18 HydrophobicContact CG-CZ2 4.2Å; Y14-W18 AromaticContact CD1-CE2 3.72Å; Y14-W18 HydrophobicContact CD1-CH2 4.33Å; Y14-W18 AromaticContact CD1-CZ2 3.44Å; Y14-W18 HydrophobicContact CD1-CZ2 3.44Å; Y14-W18 VanDerWaalsContact CD1-CZ2 3.44Å; Y14-W18 AromaticContact CD1-NE1 3.79Å; Y14-W18 AromaticContact CE1-CE2 3.81Å; Y14-W18 AromaticContact CE1-CZ2 3.96Å; Y14-W18 HydrophobicContact CE1-CZ2 3.96Å; Y14-W18 AromaticContact CE1-NE1 3.71Å; Y14-W18 HydrophobicContact CG-CZ2 4.27Å; G16-W18 VanDerWaalsContact O-CD1 3.32Å; W18-K22 WeakPolarHBondContact CA-O 3.07Å
19E92Very high90.5Very high72 Ų7241.8 Ų41.834%0.33625%0.245SC..EExtended strand (participates in β ladder)trans-139.3134.7173.3-169.9178.6-121.400109.5G21 K22 H24 Y44E19-G21 PolarHBondContact O-N 2.77Å; E19-K22 PolarHBondContact N-O 2.69Å; E19-K22 PolarHBondContact O-N 3.05Å; E19-K22 VanDerWaalsContact O-O 3.12Å; E19-H24 HydrophobicContact CB-CB 3.66Å; E19-H24 IonicContact OE2-CE1 2.72Å; E19-H24 PolarHBondContact OE2-CE1 2.93Å; E19-H24 IonicContact OE2-CG 3.42Å; E19-H24 IonicContact OE2-ND1 2.83Å; E19-H24 PolarHBondContact OE2-ND1 3.39Å; E19-H24 IonicContact OE2-NE2 2.95Å; E19-Y44 HydrophobicContact CG-CE1 4.26Å; E19-Y44 WeakPolarHBondContact OE2-CE1 3.46Å; E19-Y44 PolarHBondContact OE2-OH 3.23Å; E19-Y44 VanDerWaalsContact OE2-OH 3.06Å
20D90Very high90.6Very high134 Ų13434.5 Ų34.572%0.71721%0.207SC*.THydrogen-bonded Turntrans46.536.1-177.9-65.2-16.7000115.3K22D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 2.85Å
21G88.1Confident90.4Very high67 Ų6733.4 Ų33.469%0.69120%0.204SC*.THydrogen-bonded Turntrans7417.6-178.700000114.7E19E19-G21 PolarHBondContact O-N 2.77Å
22K91Very high90.2Very high100 Ų10032.1 Ų32.144%0.43519%0.186SC..EExtended strand (participates in β ladder)trans-127.1156.5179.7-51.4178.6-165.7166.60110.9W18 E19 D20 H24 Y44W18-K22 WeakPolarHBondContact CA-O 3.07Å; E19-K22 PolarHBondContact N-O 2.69Å; E19-K22 PolarHBondContact O-N 3.05Å; E19-K22 VanDerWaalsContact O-O 3.12Å; D20-K22 VanDerWaalsContact C-N 3.32Å; D20-K22 PolarHBondContact O-N 2.85Å; K22-H24 PolarHBondContact O-N 2.94Å; K22-Y44 VanDerWaalsContact CD-O 3.28Å; K22-Y44 WeakPolarHBondContact CD-O 3.11Å
23A91.5Very high89.7Confident4 Ų441.1 Ų41.13%0.03323%0.225CC..EExtended strand (participates in β ladder)trans-60.5127.5171.400000111.1Y14 W42 Y44 G45Y14-A23 HydrophobicContact CD2-CB 4.36Å; Y14-A23 HydrophobicContact CE1-CB 4.15Å; Y14-A23 HydrophobicContact CE2-CB 3.61Å; Y14-A23 VanDerWaalsContact CZ-CB 3.49Å; A23-W42 HydrophobicContact CB-CB 4.18Å; A23-W42 HydrophobicContact CB-CD2 3.97Å; A23-W42 HydrophobicContact CB-CE3 3.82Å; A23-W42 HydrophobicContact CB-CG 4.13Å; A23-Y44 PolarHBondContact O-N 3.47Å; A23-G45 PolarHBondContact O-N 2.73Å
24H93.8Very high88.8Confident54 Ų5442.4 Ų42.425%0.2524%0.242CC..EExtended strand (participates in β ladder)trans-146142.9178.2-167.1122.2000110.6G17 E19 K22 H43G17-H24 CarbonylContact C-O 3.53Å; G17-H24 WeakPolarHBondContact CA-O 3.48Å; G17-H24 PolarHBondContact O-N 2.76Å; G17-H24 VanDerWaalsContact O-O 3.12Å; E19-H24 HydrophobicContact CB-CB 3.66Å; E19-H24 IonicContact OE2-CE1 2.72Å; E19-H24 PolarHBondContact OE2-CE1 2.93Å; E19-H24 IonicContact OE2-CG 3.42Å; E19-H24 IonicContact OE2-ND1 2.83Å; E19-H24 PolarHBondContact OE2-ND1 3.39Å; E19-H24 IonicContact OE2-NE2 2.95Å; K22-H24 PolarHBondContact O-N 2.94Å; H24-H43 AromaticContact CE1-ND1 3.64Å
25G94.5Very high88.2Confident24 Ų2447.8 Ų47.825%0.24727%0.267CS..EExtended strand (participates in β ladder)trans76.5-150.4-179.600000110W42G25-W42 PolarHBondContact N-O 2.8Å; G25-W42 WeakPolarHBondContact O-CB 3.37Å; G25-W42 PolarHBondContact O-N 2.69Å
26H95.8Very high87.9Confident51 Ų5148.1 Ų48.124%0.23627%0.271CS..EExtended strand (participates in β ladder)trans-86.4134.7-173.9-63.286.1000112.5G16 G17 G40 D407 I410 A411G16-H26 WeakPolarHBondContact CA-O 3.45Å; G17-H26 PolarHBondContact N-O 3.4Å; H26-G40 WeakPolarHBondContact CA-O 3.07Å; H26-D407 PolarHBondContact CD2-O 3.34Å; H26-D407 IonicContact CD2-OD1 2.71Å; H26-D407 IonicContact CE1-OD1 3.97Å; H26-D407 IonicContact NE2-OD1 3.61Å; H26-D407 PolarHBondContact NE2-OD1 2.86Å; H26-I410 HydrophobicContact CB-CG2 3.79Å; H26-I410 VanDerWaalsContact CG-CG2 3.46Å; H26-A411 HydrophobicContact CB-CB 4.12Å
27G94.1Very high87.7Confident0 Ų049.5 Ų49.50%028%0.278CS..EExtended strand (participates in β ladder)trans-166.7152-178.300000114.4C15 G40 W42C15-G27 CarbonylContact O-C 3.57Å; C15-G27 VanDerWaalsContact O-CA 3.27Å; C15-G27 WeakPolarHBondContact O-CA 3.35Å; G27-G40 PolarHBondContact N-O 2.85Å; G27-G40 PolarHBondContact O-N 2.97Å; G27-W42 PolarHBondContact O-NE1 3.23Å
28V93.6Very high87.8Confident0 Ų049.2 Ų49.20%027%0.273CS..EExtended strand (participates in β ladder)trans-102.5137.2176-177.40000109Y14 C15 E37 Y38 A411 R412 A415 F422Y14-V28 CarbonylContact C-O 3.53Å; Y14-V28 WeakPolarHBondContact CA-O 3.34Å; C15-V28 PolarHBondContact N-O 3.34Å; C15-V28 PolarHBondContact O-N 2.71Å; V28-E37 HydrophobicContact CG1-CG 3.78Å; V28-Y38 CarbonylContact C-O 3.57Å; V28-Y38 WeakPolarHBondContact CA-O 3.46Å; V28-Y38 WeakPolarHBondContact CG1-O 3.46Å; V28-A411 HydrophobicContact CG2-CB 4.17Å; V28-R412 HydrophobicContact CG2-CG 4.17Å; V28-A415 HydrophobicContact CB-CB 4.36Å; V28-A415 HydrophobicContact CG2-CB 3.94Å; V28-F422 HydrophobicContact CB-CE1 4.09Å; V28-F422 HydrophobicContact CB-CZ 4.4Å; V28-F422 HydrophobicContact CG1-CE1 3.89Å; V28-F422 HydrophobicContact CG1-CZ 3.97Å
29C91.4Very high87.9Confident6 Ų645.8 Ų45.84%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-130.3129.6176.3-168.50000110.3T13 Y14 E37 Y38 W42T13-C29 CarbonylContact O-C 3.14Å; T13-C29 VanDerWaalsContact O-CA 3.26Å; T13-C29 WeakPolarHBondContact O-CA 3.45Å; Y14-C29 HydrophobicContact CD2-CB 4.04Å; C29-E37 CarbonylContact O-C 3.55Å; C29-E37 WeakPolarHBondContact O-CA 3.13Å; C29-Y38 PolarHBondContact N-O 3.1Å; C29-Y38 PolarHBondContact O-N 3.18Å; C29-W42 HydrophobicContact CB-CH2 4.05Å; C29-W42 HydrophobicContact CB-CZ2 3.64Å
30T88Confident88.1Confident21 Ų2142.3 Ų42.313%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-101.6135.1171.259.10000110.3G12 T13 E37G12-T30 WeakPolarHBondContact CA-O 3.38Å; T13-T30 PolarHBondContact N-O 3.38Å; T13-T30 PolarHBondContact N-OG1 3.45Å; T13-T30 PolarHBondContact O-N 3.16Å; T13-T30 PolarHBondContact OG1-OG1 3.34Å; T30-E37 HydrophobicContact CG2-CG 4.26Å
31G78Confident88.4Confident12 Ų1236.7 Ų36.712%0.12422%0.216CC..PPolyproline II helixtrans-70.7166.8178.300000113.2K33 G34 G36G31-K33 PolarHBondContact O-N 2.96Å; G31-G34 PolarHBondContact O-N 3.32Å; G31-G36 PolarHBondContact N-O 2.73Å
32P77.7Confident88.7Confident23 Ų2334 Ų3415%0.14919%0.185CC..G310 helixtrans-46.9130.5178.3-28.735000112D10 G34 Q35D10-P32 HydrophobicContact CB-CB 3.98Å; D10-P32 HydrophobicContact CB-CG 4.32Å; P32-G34 PolarHBondContact O-N 2.86Å; P32-Q35 WeakPolarHBondContact O-CB 3.04Å; P32-Q35 WeakPolarHBondContact O-CG 3.48Å; P32-Q35 PolarHBondContact O-N 2.71Å
33K73.8Confident88.9Confident190 Ų19034 Ų3483%0.82619%0.187SC*.G310 helixtrans50.424.4-179.1-54.1177.6-177.8174.50115.1D10 G31D10-K33 PolarHBondContact O-N 3.03Å; D10-K33 VanDerWaalsContact O-N 3.09Å; G31-K33 PolarHBondContact O-N 2.96Å
34G69.8Low88.8Confident46 Ų4638.2 Ų38.247%0.47420%0.202SC..G310 helixtrans78.325.9-177.900000115.2G31 P32 G36 P55G31-G34 PolarHBondContact O-N 3.32Å; P32-G34 PolarHBondContact O-N 2.86Å; G34-G36 PolarHBondContact O-N 2.82Å; G34-P55 WeakPolarHBondContact O-CG 3.26Å
35Q79Confident88.6Confident116 Ų11636.2 Ų36.254%0.54220%0.197SC..SBendtrans-67.617.6177.3-72.1-66.4-600115.5P32 Y52 P55P32-Q35 WeakPolarHBondContact O-CB 3.04Å; P32-Q35 WeakPolarHBondContact O-CG 3.48Å; P32-Q35 PolarHBondContact O-N 2.71Å; Q35-Y52 PolarHBondContact O-OH 2.83Å; Q35-P55 VanDerWaalsContact C-CG 3.49Å; Q35-P55 WeakPolarHBondContact O-CD 3.34Å
36G85.6Confident88.4Confident8 Ų839 Ų398%0.08220%0.202CC..  trans138.1170.5176.200000112.4G31 G34 A53G31-G36 PolarHBondContact N-O 2.73Å; G34-G36 PolarHBondContact O-N 2.82Å; G36-A53 CarbonylContact C-O 3.25Å; G36-A53 WeakPolarHBondContact CA-O 3.47Å
37E90.2Very high88.3Confident28 Ų2837.3 Ų37.313%0.13119%0.194CC..EExtended strand (participates in β ladder)trans-131.3126.2-179.3-174.6-172.7101.800110.5V28 C29 T30 Y52 A53 R412 Q424V28-E37 HydrophobicContact CG1-CG 3.78Å; C29-E37 CarbonylContact O-C 3.55Å; C29-E37 WeakPolarHBondContact O-CA 3.13Å; T30-E37 HydrophobicContact CG2-CG 4.26Å; E37-Y52 CarbonylContact O-C 3.5Å; E37-Y52 VanDerWaalsContact O-CA 3.25Å; E37-Y52 WeakPolarHBondContact O-CA 3.3Å; E37-Y52 WeakPolarHBondContact O-CD2 3.43Å; E37-A53 PolarHBondContact N-O 3.31Å; E37-A53 PolarHBondContact O-N 3.42Å; E37-R412 IonicContact OE1-CZ 3.74Å; E37-R412 IonicContact OE1-NH1 2.68Å; E37-R412 PolarHBondContact OE1-NH1 2.86Å; E37-R412 IonicContact OE1-NH2 2.71Å; E37-R412 PolarHBondContact OE1-NH2 2.69Å; E37-Q424 PolarHBondContact OE1-NE2 2.97Å; E37-Q424 VanDerWaalsContact OE1-NE2 3.11Å; E37-Q424 PolarHBondContact OE2-NE2 3.17Å
38Y93.5Very high88.3Confident5 Ų540.4 Ų40.42%0.0221%0.213CC..EExtended strand (participates in β ladder)trans-94.4144.4163.4-178.9-89.3000110.6V28 C29 A41 W42 E47 S49 V51 W64V28-Y38 CarbonylContact C-O 3.57Å; V28-Y38 WeakPolarHBondContact CA-O 3.46Å; V28-Y38 WeakPolarHBondContact CG1-O 3.46Å; C29-Y38 PolarHBondContact N-O 3.1Å; C29-Y38 PolarHBondContact O-N 3.18Å; Y38-A41 PolarHBondContact OH-O 2.99Å; Y38-W42 AromaticContact CD1-CE2 3.66Å; Y38-W42 HydrophobicContact CD1-CH2 4.31Å; Y38-W42 AromaticContact CD1-CZ2 3.34Å; Y38-W42 HydrophobicContact CD1-CZ2 3.34Å; Y38-W42 AromaticContact CD1-NE1 3.7Å; Y38-W42 HydrophobicContact CE1-CD2 4.47Å; Y38-W42 AromaticContact CE1-CE2 3.6Å; Y38-W42 AromaticContact CE1-CZ2 3.74Å; Y38-W42 HydrophobicContact CE1-CZ2 3.74Å; Y38-W42 AromaticContact CE1-NE1 3.45Å; Y38-W42 HydrophobicContact CG-CZ2 4.11Å; Y38-E47 HydrophobicContact CD1-CG 4.32Å; Y38-E47 HydrophobicContact CD2-CG 3.93Å; Y38-E47 HydrophobicContact CE1-CB 4.45Å; Y38-E47 HydrophobicContact CE1-CG 4.06Å; Y38-E47 HydrophobicContact CE2-CB 3.78Å; Y38-E47 HydrophobicContact CE2-CG 3.65Å; Y38-E47 HydrophobicContact CG-CG 4.25Å; Y38-S49 PolarHBondContact OH-O 2.74Å; Y38-S49 VanDerWaalsContact OH-O 3.09Å; Y38-V51 CarbonylContact C-O 3.51Å; Y38-W64 HydrophobicContact CD2-CH2 4.47Å; Y38-W64 HydrophobicContact CD2-CZ2 4.02Å; Y38-W64 AromaticContact CE2-CD1 3.94Å; Y38-W64 HydrophobicContact CE2-CD2 4.02Å; Y38-W64 AromaticContact CE2-CE2 3.62Å; Y38-W64 HydrophobicContact CE2-CG 4.21Å; Y38-W64 AromaticContact CE2-CZ2 3.99Å; Y38-W64 HydrophobicContact CE2-CZ2 3.99Å; Y38-W64 AromaticContact CE2-NE1 3.6Å
39S94.7Very high88.5Confident0 Ų040.7 Ų40.70%022%0.215CC..EExtended strand (participates in β ladder)trans-147.8117.417451.30000110.4G50 V51 S408 R412S39-G50 CarbonylContact O-C 3.56Å; S39-G50 VanDerWaalsContact O-CA 3.31Å; S39-G50 WeakPolarHBondContact O-CA 3.35Å; S39-V51 PolarHBondContact N-O 3.43Å; S39-V51 PolarHBondContact O-N 3.34Å; S39-V51 PolarHBondContact OG-O 3.37Å; S39-S408 VanDerWaalsContact CB-OG 3.3Å; S39-S408 WeakPolarHBondContact CB-OG 3.28Å; S39-S408 PolarHBondContact OG-OG 3.15Å; S39-R412 VanDerWaalsContact CB-NH2 3.34Å; S39-R412 PolarHBondContact OG-NH2 2.61Å
40G96.3Very high88.7Confident0 Ų040.4 Ų40.40%021%0.213CC..EExtended strand (participates in β ladder)trans166.6-157-176.100000114.8H26 G27 S49H26-G40 WeakPolarHBondContact CA-O 3.07Å; G27-G40 PolarHBondContact N-O 2.85Å; G27-G40 PolarHBondContact O-N 2.97Å; G40-S49 CarbonylContact C-O 3.53Å; G40-S49 WeakPolarHBondContact CA-O 3.33Å
41A96.8Very high89.1Confident16 Ų1640 Ų4013%0.13221%0.21CC..EExtended strand (participates in β ladder)trans-91.5134.3-177.900000112.9Y38 V48 S49 D407Y38-A41 PolarHBondContact OH-O 2.99Å; A41-V48 PolarHBondContact O-N 2.77Å; A41-S49 PolarHBondContact N-O 3.23Å; A41-D407 HydrophobicContact CB-CB 4.39Å
42W94.6Very high89.9Confident9 Ų939.9 Ų39.93%0.03421%0.206CC..EExtended strand (participates in β ladder)trans-118.7149.1-177.9-62.680.9000111.3Y14 A23 G25 G27 C29 Y38 F46 E47Y14-W42 HydrophobicContact CD2-CZ2 4.29Å; Y14-W42 AromaticContact CE2-CD2 3.99Å; Y14-W42 HydrophobicContact CE2-CD2 3.99Å; Y14-W42 AromaticContact CE2-CE2 3.62Å; Y14-W42 HydrophobicContact CE2-CG 4.29Å; Y14-W42 AromaticContact CE2-CZ2 3.97Å; Y14-W42 HydrophobicContact CE2-CZ2 3.97Å; Y14-W42 AromaticContact CE2-NE1 3.68Å; A23-W42 HydrophobicContact CB-CB 4.18Å; A23-W42 HydrophobicContact CB-CD2 3.97Å; A23-W42 HydrophobicContact CB-CE3 3.82Å; A23-W42 HydrophobicContact CB-CG 4.13Å; G25-W42 PolarHBondContact N-O 2.8Å; G25-W42 WeakPolarHBondContact O-CB 3.37Å; G25-W42 PolarHBondContact O-N 2.69Å; G27-W42 PolarHBondContact O-NE1 3.23Å; C29-W42 HydrophobicContact CB-CH2 4.05Å; C29-W42 HydrophobicContact CB-CZ2 3.64Å; Y38-W42 AromaticContact CD1-CE2 3.66Å; Y38-W42 HydrophobicContact CD1-CH2 4.31Å; Y38-W42 AromaticContact CD1-CZ2 3.34Å; Y38-W42 HydrophobicContact CD1-CZ2 3.34Å; Y38-W42 AromaticContact CD1-NE1 3.7Å; Y38-W42 HydrophobicContact CE1-CD2 4.47Å; Y38-W42 AromaticContact CE1-CE2 3.6Å; Y38-W42 AromaticContact CE1-CZ2 3.74Å; Y38-W42 HydrophobicContact CE1-CZ2 3.74Å; Y38-W42 AromaticContact CE1-NE1 3.45Å; Y38-W42 HydrophobicContact CG-CZ2 4.11Å; W42-F46 CarbonylContact C-O 3.51Å; W42-F46 VanDerWaalsContact CA-O 3.3Å; W42-F46 WeakPolarHBondContact CA-O 3.31Å; W42-E47 HydrophobicContact CE3-CG 4.17Å; W42-E47 HydrophobicContact CH2-CG 3.67Å; W42-E47 HydrophobicContact CZ2-CG 4.11Å; W42-E47 HydrophobicContact CZ3-CG 3.71Å
43H93.7Very high90.5Very high101 Ų10140.5 Ų40.547%0.46821%0.213SC..EExtended strand (participates in β ladder)trans-141.5113.1175.5-170.765.9000110H24 G45 F46 V48H24-H43 AromaticContact CE1-ND1 3.64Å; H43-G45 PolarHBondContact O-N 2.89Å; H43-G45 VanDerWaalsContact O-N 3.13Å; H43-F46 PolarHBondContact N-O 3.24Å; H43-F46 PolarHBondContact O-N 3.4Å; H43-F46 VanDerWaalsContact O-N 3.07Å; H43-V48 HydrophobicContact CB-CG2 3.63Å
44Y90.8Very high91.1Very high92 Ų9233.3 Ų33.336%0.36118%0.181SC..THydrogen-bonded Turntrans44.942.4-178.5-63.9-72.9000115.1E19 K22 A23E19-Y44 HydrophobicContact CG-CE1 4.26Å; E19-Y44 WeakPolarHBondContact OE2-CE1 3.46Å; E19-Y44 PolarHBondContact OE2-OH 3.23Å; E19-Y44 VanDerWaalsContact OE2-OH 3.06Å; K22-Y44 VanDerWaalsContact CD-O 3.28Å; K22-Y44 WeakPolarHBondContact CD-O 3.11Å; A23-Y44 PolarHBondContact O-N 3.47Å
45G89.2Confident91.7Very high13 Ų1335.1 Ų35.113%0.13419%0.185CC..THydrogen-bonded Turntrans94.1217700000116A23 H43A23-G45 PolarHBondContact O-N 2.73Å; H43-G45 PolarHBondContact O-N 2.89Å; H43-G45 VanDerWaalsContact O-N 3.13Å
46F90.7Very high91.8Very high82 Ų8233.6 Ų33.636%0.3619%0.187SC..EExtended strand (participates in β ladder)trans-119.3144.7176.4-63.4-74000112.7W42 H43 I660W42-F46 CarbonylContact C-O 3.51Å; W42-F46 VanDerWaalsContact CA-O 3.3Å; W42-F46 WeakPolarHBondContact CA-O 3.31Å; H43-F46 PolarHBondContact N-O 3.24Å; H43-F46 PolarHBondContact O-N 3.4Å; H43-F46 VanDerWaalsContact O-N 3.07Å; F46-I660 HydrophobicContact CE1-CD1 4.48Å
47E93Very high91.8Very high15 Ų1536 Ų367%0.0721%0.211CC..EExtended strand (participates in β ladder)trans-66.5139.6171.7-55.489.3152.500111.1Y38 W42 W64 G67Y38-E47 HydrophobicContact CD1-CG 4.32Å; Y38-E47 HydrophobicContact CD2-CG 3.93Å; Y38-E47 HydrophobicContact CE1-CB 4.45Å; Y38-E47 HydrophobicContact CE1-CG 4.06Å; Y38-E47 HydrophobicContact CE2-CB 3.78Å; Y38-E47 HydrophobicContact CE2-CG 3.65Å; Y38-E47 HydrophobicContact CG-CG 4.25Å; W42-E47 HydrophobicContact CE3-CG 4.17Å; W42-E47 HydrophobicContact CH2-CG 3.67Å; W42-E47 HydrophobicContact CZ2-CG 4.11Å; W42-E47 HydrophobicContact CZ3-CG 3.71Å; E47-W64 HydrophobicContact CB-CB 3.67Å; E47-W64 HydrophobicContact CB-CD2 4.27Å; E47-W64 HydrophobicContact CB-CG 3.9Å; E47-W64 CarbonylContact O-C 3.51Å; E47-W64 WeakPolarHBondContact O-CB 3.18Å; E47-G67 VanDerWaalsContact OE2-CA 3.23Å; E47-G67 WeakPolarHBondContact OE2-CA 3.28Å
48V95Very high91.8Very high66 Ų6636.1 Ų36.140%0.421%0.213SC..EExtended strand (participates in β ladder)trans-120.9-49.2-179.9-177.50000112.2A41 H43 W64A41-V48 PolarHBondContact O-N 2.77Å; H43-V48 HydrophobicContact CB-CG2 3.63Å; V48-W64 PolarHBondContact O-N 2.97Å
49S97.2Very high91.8Very high5 Ų537.3 Ų37.34%0.03522%0.221CC..EExtended strand (participates in β ladder)trans-153.6124.4-174.91750000108.7Y38 G40 A41 D407Y38-S49 PolarHBondContact OH-O 2.74Å; Y38-S49 VanDerWaalsContact OH-O 3.09Å; G40-S49 CarbonylContact C-O 3.53Å; G40-S49 WeakPolarHBondContact CA-O 3.33Å; A41-S49 PolarHBondContact N-O 3.23Å; S49-D407 WeakPolarHBondContact CB-OD2 3.24Å; S49-D407 PolarHBondContact OG-OD2 2.72Å
50G96.2Very high91.8Very high0 Ų037.3 Ų37.30%022%0.221CC..EExtended strand (participates in β ladder)trans171.2171.3-175.100000115.2S39 G62 W64S39-G50 CarbonylContact O-C 3.56Å; S39-G50 VanDerWaalsContact O-CA 3.31Å; S39-G50 WeakPolarHBondContact O-CA 3.35Å; G50-G62 PolarHBondContact N-O 2.97Å; G50-G62 PolarHBondContact O-N 3.38Å; G50-W64 PolarHBondContact O-NE1 3.33Å
51V96.4Very high91.8Very high12 Ų1238.2 Ų38.27%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-99.8130.2178.9-178.60000110.1Y38 S39 Y60 E61Y38-V51 CarbonylContact C-O 3.51Å; S39-V51 PolarHBondContact N-O 3.43Å; S39-V51 PolarHBondContact O-N 3.34Å; S39-V51 PolarHBondContact OG-O 3.37Å; V51-Y60 CarbonylContact C-O 3.58Å; V51-Y60 VanDerWaalsContact CA-O 3.31Å; V51-Y60 WeakPolarHBondContact CA-O 3.41Å; V51-E61 HydrophobicContact CG1-CG 4.05Å; V51-E61 HydrophobicContact CG2-CB 4.35Å; V51-E61 HydrophobicContact CG2-CG 3.88Å
52Y93.6Very high91.8Very high10 Ų1037.4 Ų37.44%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-112.6135.6168.4-173.8-88000111.2Q35 E37 W54 T59 Y60 W64 F665Q35-Y52 PolarHBondContact O-OH 2.83Å; E37-Y52 CarbonylContact O-C 3.5Å; E37-Y52 VanDerWaalsContact O-CA 3.25Å; E37-Y52 WeakPolarHBondContact O-CA 3.3Å; E37-Y52 WeakPolarHBondContact O-CD2 3.43Å; Y52-W54 AromaticContact CD1-CD2 3.75Å; Y52-W54 HydrophobicContact CD1-CD2 3.75Å; Y52-W54 AromaticContact CD1-CE2 3.83Å; Y52-W54 AromaticContact CD1-CE3 3.88Å; Y52-W54 HydrophobicContact CD1-CE3 3.88Å; Y52-W54 HydrophobicContact CD1-CG 4.28Å; Y52-W54 HydrophobicContact CD1-CH2 4.14Å; Y52-W54 HydrophobicContact CD1-CZ2 4.03Å; Y52-W54 HydrophobicContact CD1-CZ3 4.09Å; Y52-W54 HydrophobicContact CE1-CB 4.5Å; Y52-W54 AromaticContact CE1-CD1 3.75Å; Y52-W54 AromaticContact CE1-CD2 3.63Å; Y52-W54 HydrophobicContact CE1-CD2 3.63Å; Y52-W54 AromaticContact CE1-CE2 3.59Å; Y52-W54 HydrophobicContact CE1-CE3 4.24Å; Y52-W54 AromaticContact CE1-CG 3.74Å; Y52-W54 HydrophobicContact CE1-CG 3.74Å; Y52-W54 HydrophobicContact CE1-CZ2 4.14Å; Y52-W54 AromaticContact CE1-NE1 3.67Å; Y52-T59 CarbonylContact O-C 3.43Å; Y52-T59 WeakPolarHBondContact O-CA 3.21Å; Y52-Y60 PolarHBondContact N-O 2.74Å; Y52-Y60 PolarHBondContact O-N 3.4Å; Y52-W64 HydrophobicContact CD2-CH2 4.43Å; Y52-W64 HydrophobicContact CG-CH2 4.14Å; Y52-W64 HydrophobicContact CG-CZ2 4.5Å; Y52-F665 HydrophobicContact CD1-CD1 4.21Å; Y52-F665 AromaticContact CD1-CE1 3.75Å; Y52-F665 HydrophobicContact CD1-CE1 3.75Å; Y52-F665 HydrophobicContact CD2-CD1 4.24Å; Y52-F665 AromaticContact CD2-CE1 3.38Å; Y52-F665 HydrophobicContact CD2-CE1 3.38Å; Y52-F665 AromaticContact CD2-CZ 3.58Å; Y52-F665 HydrophobicContact CD2-CZ 3.58Å; Y52-F665 AromaticContact CE1-CD1 3.62Å; Y52-F665 HydrophobicContact CE1-CD1 3.62Å; Y52-F665 AromaticContact CE1-CE1 3.61Å; Y52-F665 HydrophobicContact CE1-CE1 3.61Å; Y52-F665 AromaticContact CE2-CD1 3.66Å; Y52-F665 HydrophobicContact CE2-CD1 3.66Å; Y52-F665 HydrophobicContact CE2-CD2 4.5Å; Y52-F665 AromaticContact CE2-CE1 3.21Å; Y52-F665 HydrophobicContact CE2-CE1 3.21Å; Y52-F665 HydrophobicContact CE2-CE2 4.13Å; Y52-F665 HydrophobicContact CE2-CG 4.28Å; Y52-F665 AromaticContact CE2-CZ 3.47Å; Y52-F665 HydrophobicContact CE2-CZ 3.47Å; Y52-F665 VanDerWaalsContact CE2-CZ 3.47Å; Y52-F665 HydrophobicContact CG-CD1 4.48Å; Y52-F665 AromaticContact CG-CE1 3.64Å; Y52-F665 HydrophobicContact CG-CE1 3.64Å; Y52-F665 HydrophobicContact CG-CZ 4.21Å; Y52-F665 AromaticContact CZ-CD1 3.28Å; Y52-F665 AromaticContact CZ-CE1 3.31Å; Y52-F665 WeakPolarHBondContact OH-CD1 3.4Å
53A91.4Very high92Very high36 Ų3640.2 Ų40.230%0.29823%0.232SC..EExtended strand (participates in β ladder)trans-117.6124.7174.800000110.4G36 E37G36-A53 CarbonylContact C-O 3.25Å; G36-A53 WeakPolarHBondContact CA-O 3.47Å; E37-A53 PolarHBondContact N-O 3.31Å; E37-A53 PolarHBondContact O-N 3.42Å
54W85Confident92Very high39 Ų3936 Ų3615%0.14821%0.212CC..  trans-82.1153.4171.1-74.6-90000110.6Y52 S56 G57 N58Y52-W54 AromaticContact CD1-CD2 3.75Å; Y52-W54 HydrophobicContact CD1-CD2 3.75Å; Y52-W54 AromaticContact CD1-CE2 3.83Å; Y52-W54 AromaticContact CD1-CE3 3.88Å; Y52-W54 HydrophobicContact CD1-CE3 3.88Å; Y52-W54 HydrophobicContact CD1-CG 4.28Å; Y52-W54 HydrophobicContact CD1-CH2 4.14Å; Y52-W54 HydrophobicContact CD1-CZ2 4.03Å; Y52-W54 HydrophobicContact CD1-CZ3 4.09Å; Y52-W54 HydrophobicContact CE1-CB 4.5Å; Y52-W54 AromaticContact CE1-CD1 3.75Å; Y52-W54 AromaticContact CE1-CD2 3.63Å; Y52-W54 HydrophobicContact CE1-CD2 3.63Å; Y52-W54 AromaticContact CE1-CE2 3.59Å; Y52-W54 HydrophobicContact CE1-CE3 4.24Å; Y52-W54 AromaticContact CE1-CG 3.74Å; Y52-W54 HydrophobicContact CE1-CG 3.74Å; Y52-W54 HydrophobicContact CE1-CZ2 4.14Å; Y52-W54 AromaticContact CE1-NE1 3.67Å; W54-S56 WeakPolarHBondContact CB-OG 3.48Å; W54-S56 PolarHBondContact O-N 2.81Å; W54-G57 PolarHBondContact O-N 2.91Å; W54-N58 HydrophobicContact CB-CB 4.32Å; W54-N58 HydrophobicContact CE3-CB 3.94Å; W54-N58 PolarHBondContact N-O 2.78Å
55P82.9Confident92.1Very high85 Ų8535.5 Ų35.555%0.55221%0.213SC*.THydrogen-bonded Turntrans-57.6-21.5175.9-25.535.4000114.4G34 Q35 G57G34-P55 WeakPolarHBondContact O-CG 3.26Å; Q35-P55 VanDerWaalsContact C-CG 3.49Å; Q35-P55 WeakPolarHBondContact O-CD 3.34Å; P55-G57 PolarHBondContact O-N 2.71Å
56S81.7Confident92.1Very high84 Ų8439.3 Ų39.359%0.58723%0.23SC*.THydrogen-bonded Turntrans-74.1-1.7173.947.40000114.6W54 N58W54-S56 WeakPolarHBondContact CB-OG 3.48Å; W54-S56 PolarHBondContact O-N 2.81Å; S56-N58 PolarHBondContact O-N 3Å; S56-N58 PolarHBondContact OG-ND2 2.81Å
57G85.3Confident91.9Very high57 Ų5735.5 Ų35.559%0.58821%0.214SC*.SBendtrans76.87.7-176.100000114.4W54 P55W54-G57 PolarHBondContact O-N 2.91Å; P55-G57 PolarHBondContact O-N 2.71Å
58N89.2Confident91.7Very high31 Ų3137.8 Ų37.817%0.16622%0.224CC..  trans-73.1149.9167.1-60.7-37.3000109.6W54 S56 R76 R77 G78W54-N58 HydrophobicContact CB-CB 4.32Å; W54-N58 HydrophobicContact CE3-CB 3.94Å; W54-N58 PolarHBondContact N-O 2.78Å; S56-N58 PolarHBondContact O-N 3Å; S56-N58 PolarHBondContact OG-ND2 2.81Å; N58-R76 CarbonylContact C-O 3.55Å; N58-R76 VanDerWaalsContact CA-O 3.28Å; N58-R76 WeakPolarHBondContact CA-O 3.32Å; N58-R76 WeakPolarHBondContact CB-O 3.3Å; N58-R77 VanDerWaalsContact OD1-CA 3.24Å; N58-R77 WeakPolarHBondContact OD1-CA 3.41Å; N58-G78 PolarHBondContact OD1-N 3.14Å
59T93.2Very high91.6Very high31 Ų3136.3 Ų36.319%0.1921%0.211CC..EExtended strand (participates in β ladder)trans-129.8153.9177.8660000112.6Y52 E61 E75 R76Y52-T59 CarbonylContact O-C 3.43Å; Y52-T59 WeakPolarHBondContact O-CA 3.21Å; T59-E61 PolarHBondContact OG1-OE1 2.94Å; T59-E75 WeakPolarHBondContact O-CA 3.32Å; T59-R76 PolarHBondContact N-O 3.29Å; T59-R76 PolarHBondContact O-N 3.29Å; T59-R76 WeakPolarHBondContact OG1-CB 3.37Å; T59-R76 WeakPolarHBondContact OG1-CD 3.39Å; T59-R76 WeakPolarHBondContact OG1-CG 3.34Å
60Y95Very high91.5Very high0 Ų038.1 Ų38.10%022%0.218CC..EExtended strand (participates in β ladder)trans-127127.2162.4177.1-96.2000109.9V51 Y52 Q63 W64 R69 I74 E75 W86V51-Y60 CarbonylContact C-O 3.58Å; V51-Y60 VanDerWaalsContact CA-O 3.31Å; V51-Y60 WeakPolarHBondContact CA-O 3.41Å; Y52-Y60 PolarHBondContact N-O 2.74Å; Y52-Y60 PolarHBondContact O-N 3.4Å; Y60-Q63 PolarHBondContact OH-O 2.88Å; Y60-Q63 VanDerWaalsContact OH-O 3.05Å; Y60-W64 AromaticContact CD1-CE2 3.7Å; Y60-W64 HydrophobicContact CD1-CH2 4.03Å; Y60-W64 AromaticContact CD1-CZ2 3.36Å; Y60-W64 HydrophobicContact CD1-CZ2 3.36Å; Y60-W64 AromaticContact CD1-NE1 3.98Å; Y60-W64 HydrophobicContact CE1-CD2 4.36Å; Y60-W64 AromaticContact CE1-CE2 3.71Å; Y60-W64 AromaticContact CE1-CZ2 3.85Å; Y60-W64 HydrophobicContact CE1-CZ2 3.85Å; Y60-W64 AromaticContact CE1-NE1 3.77Å; Y60-W64 HydrophobicContact CG-CZ2 4.4Å; Y60-R69 HydrophobicContact CD1-CG 3.88Å; Y60-R69 HydrophobicContact CD2-CG 4.14Å; Y60-R69 HydrophobicContact CE1-CB 4.1Å; Y60-R69 HydrophobicContact CE1-CG 3.77Å; Y60-R69 HydrophobicContact CE2-CB 4.1Å; Y60-R69 HydrophobicContact CE2-CG 4.06Å; Y60-R69 HydrophobicContact CG-CG 4.02Å; Y60-I74 CarbonylContact C-O 3.59Å; Y60-I74 VanDerWaalsContact CA-O 3.24Å; Y60-I74 WeakPolarHBondContact CA-O 3.22Å; Y60-I74 WeakPolarHBondContact CD2-O 3.43Å; Y60-E75 HydrophobicContact CD2-CB 4.42Å; Y60-W86 HydrophobicContact CD2-CZ2 4.1Å; Y60-W86 AromaticContact CE2-CD1 3.97Å; Y60-W86 AromaticContact CE2-CD2 3.87Å; Y60-W86 HydrophobicContact CE2-CD2 3.87Å; Y60-W86 AromaticContact CE2-CE2 3.51Å; Y60-W86 HydrophobicContact CE2-CE3 4.49Å; Y60-W86 HydrophobicContact CE2-CG 4.16Å; Y60-W86 HydrophobicContact CE2-CH2 4.44Å; Y60-W86 AromaticContact CE2-CZ2 3.82Å; Y60-W86 HydrophobicContact CE2-CZ2 3.82Å; Y60-W86 AromaticContact CE2-NE1 3.58Å
61E96.8Very high91.6Very high18 Ų1839.1 Ų39.18%0.08423%0.229CC..EExtended strand (participates in β ladder)trans-121.9109.7-179-64.4137.8-128.400108V51 T59 G73 I74 R76 A401V51-E61 HydrophobicContact CG1-CG 4.05Å; V51-E61 HydrophobicContact CG2-CB 4.35Å; V51-E61 HydrophobicContact CG2-CG 3.88Å; T59-E61 PolarHBondContact OG1-OE1 2.94Å; E61-G73 CarbonylContact O-C 3.45Å; E61-G73 VanDerWaalsContact O-CA 3.26Å; E61-G73 WeakPolarHBondContact O-CA 3.41Å; E61-I74 HydrophobicContact CB-CB 4.5Å; E61-I74 PolarHBondContact N-O 3.1Å; E61-I74 PolarHBondContact O-N 3.23Å; E61-R76 WeakPolarHBondContact OE1-CD 3.3Å; E61-R76 IonicContact OE1-CZ 3.65Å; E61-R76 IonicContact OE1-NE 3.64Å; E61-R76 PolarHBondContact OE1-NE 3.46Å; E61-R76 IonicContact OE1-NH2 3.77Å; E61-R76 IonicContact OE2-CZ 2.82Å; E61-R76 IonicContact OE2-NE 2.67Å; E61-R76 PolarHBondContact OE2-NE 3.19Å; E61-R76 IonicContact OE2-NH2 2.7Å; E61-R76 PolarHBondContact OE2-NH2 2.87Å; E61-A401 HydrophobicContact CB-CB 3.73Å
62G97.4Very high91.7Very high0 Ų040 Ų400%023%0.233CC..EExtended strand (participates in β ladder)trans160.4-150.8178.300000115.6G50 W64 A404G50-G62 PolarHBondContact N-O 2.97Å; G50-G62 PolarHBondContact O-N 3.38Å; G62-W64 PolarHBondContact O-NE1 3.04Å; G62-A404 VanDerWaalsContact N-CB 3.32Å
63Q97.6Very high91.8Very high67 Ų6739.5 Ų39.531%0.31323%0.231SC..EExtended strand (participates in β ladder)trans-88.8153.4-172.1-70.1172.3-1300113.7Y60 H70 L72Y60-Q63 PolarHBondContact OH-O 2.88Å; Y60-Q63 VanDerWaalsContact OH-O 3.05Å; Q63-H70 CarbonylContact C-O 3.53Å; Q63-H70 VanDerWaalsContact CB-O 3.24Å; Q63-H70 WeakPolarHBondContact CB-O 3.47Å; Q63-H70 PolarHBondContact O-N 3.4Å; Q63-H70 VanDerWaalsContact O-N 3.13Å; Q63-L72 PolarHBondContact N-O 2.85Å
64W95.2Very high92.1Very high14 Ų1438.1 Ų38.15%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-135.4150.3-175.1-60.681000110.3Y38 E47 V48 G50 Y52 Y60 G62 K68 R69 F665Y38-W64 HydrophobicContact CD2-CH2 4.47Å; Y38-W64 HydrophobicContact CD2-CZ2 4.02Å; Y38-W64 AromaticContact CE2-CD1 3.94Å; Y38-W64 HydrophobicContact CE2-CD2 4.02Å; Y38-W64 AromaticContact CE2-CE2 3.62Å; Y38-W64 HydrophobicContact CE2-CG 4.21Å; Y38-W64 AromaticContact CE2-CZ2 3.99Å; Y38-W64 HydrophobicContact CE2-CZ2 3.99Å; Y38-W64 AromaticContact CE2-NE1 3.6Å; E47-W64 HydrophobicContact CB-CB 3.67Å; E47-W64 HydrophobicContact CB-CD2 4.27Å; E47-W64 HydrophobicContact CB-CG 3.9Å; E47-W64 CarbonylContact O-C 3.51Å; E47-W64 WeakPolarHBondContact O-CB 3.18Å; V48-W64 PolarHBondContact O-N 2.97Å; G50-W64 PolarHBondContact O-NE1 3.33Å; Y52-W64 HydrophobicContact CD2-CH2 4.43Å; Y52-W64 HydrophobicContact CG-CH2 4.14Å; Y52-W64 HydrophobicContact CG-CZ2 4.5Å; Y60-W64 AromaticContact CD1-CE2 3.7Å; Y60-W64 HydrophobicContact CD1-CH2 4.03Å; Y60-W64 AromaticContact CD1-CZ2 3.36Å; Y60-W64 HydrophobicContact CD1-CZ2 3.36Å; Y60-W64 AromaticContact CD1-NE1 3.98Å; Y60-W64 HydrophobicContact CE1-CD2 4.36Å; Y60-W64 AromaticContact CE1-CE2 3.71Å; Y60-W64 AromaticContact CE1-CZ2 3.85Å; Y60-W64 HydrophobicContact CE1-CZ2 3.85Å; Y60-W64 AromaticContact CE1-NE1 3.77Å; Y60-W64 HydrophobicContact CG-CZ2 4.4Å; G62-W64 PolarHBondContact O-NE1 3.04Å; W64-K68 WeakPolarHBondContact CA-O 3.47Å; W64-R69 HydrophobicContact CE3-CG 4.36Å; W64-R69 HydrophobicContact CH2-CG 4.04Å; W64-R69 HydrophobicContact CZ3-CG 3.9Å; W64-F665 AromaticContact CH2-CE1 3.82Å; W64-F665 HydrophobicContact CH2-CE1 3.82Å; W64-F665 AromaticContact CH2-CZ 3.75Å; W64-F665 HydrophobicContact CH2-CZ 3.75Å; W64-F665 AromaticContact CZ3-CE1 3.96Å; W64-F665 HydrophobicContact CZ3-CE1 3.96Å; W64-F665 AromaticContact CZ3-CZ 3.59Å; W64-F665 HydrophobicContact CZ3-CZ 3.59Å
65Q92.3Very high92.6Very high80 Ų8036.9 Ų36.937%0.37422%0.215SC..EExtended strand (participates in β ladder)trans-150129.2172.8-175.3179.778.500110.2G67 K68 H70Q65-G67 PolarHBondContact O-N 3.49Å; Q65-G67 VanDerWaalsContact O-N 3.11Å; Q65-K68 PolarHBondContact N-O 3.29Å; Q65-K68 PolarHBondContact O-N 2.91Å; Q65-H70 HydrophobicContact CB-CB 3.63Å; Q65-H70 PolarHBondContact OE1-CE1 2.79Å; Q65-H70 PolarHBondContact OE1-ND1 3.01Å
66N88.6Confident93.1Very high94 Ų9437.2 Ų37.250%0.50321%0.205SC..THydrogen-bonded Turntrans52.828.4-178.7-53.2-11.2000112.6H664N66-H664 PolarHBondContact O-CE1 2.85Å
67G86.1Confident93.4Very high2 Ų235.7 Ų35.72%0.02119%0.186CC..THydrogen-bonded Turntrans84.2-0.9-173.500000116.8E47 Q65 H664E47-G67 VanDerWaalsContact OE2-CA 3.23Å; E47-G67 WeakPolarHBondContact OE2-CA 3.28Å; Q65-G67 PolarHBondContact O-N 3.49Å; Q65-G67 VanDerWaalsContact O-N 3.11Å; G67-H664 VanDerWaalsContact C-CE1 3.41Å; G67-H664 PolarHBondContact O-ND1 3.22Å
68K89.9Confident93.4Very high63 Ų6336 Ų3627%0.27419%0.19SC..EExtended strand (participates in β ladder)trans-104.3146.3176.9-55.1-161.3178.1-172.30111.4W64 Q65 H70 H664W64-K68 WeakPolarHBondContact CA-O 3.47Å; Q65-K68 PolarHBondContact N-O 3.29Å; Q65-K68 PolarHBondContact O-N 2.91Å; K68-H70 PolarHBondContact O-N 3.15Å; K68-H664 WeakPolarHBondContact CE-CE1 3.24Å; K68-H664 WeakPolarHBondContact CE-NE2 3.13Å; K68-H664 WeakPolarHBondContact CG-CE1 3.47Å
69R93.5Very high93.3Very high35 Ų3542.7 Ų42.713%0.13221%0.212CC..EExtended strand (participates in β ladder)trans-50.9121.5164.7-59.8-178.5-69.8179.61.5109.4Y60 W64 E75 W86 G89Y60-R69 HydrophobicContact CD1-CG 3.88Å; Y60-R69 HydrophobicContact CD2-CG 4.14Å; Y60-R69 HydrophobicContact CE1-CB 4.1Å; Y60-R69 HydrophobicContact CE1-CG 3.77Å; Y60-R69 HydrophobicContact CE2-CB 4.1Å; Y60-R69 HydrophobicContact CE2-CG 4.06Å; Y60-R69 HydrophobicContact CG-CG 4.02Å; W64-R69 HydrophobicContact CE3-CG 4.36Å; W64-R69 HydrophobicContact CH2-CG 4.04Å; W64-R69 HydrophobicContact CZ3-CG 3.9Å; R69-E75 IonicContact CZ-OE1 3.84Å; R69-E75 IonicContact NH1-OE1 3.47Å; R69-E75 PolarHBondContact NH1-OE1 3.12Å; R69-E75 IonicContact NH2-OE1 3.4Å; R69-W86 HydrophobicContact CB-CD2 4.3Å; R69-W86 HydrophobicContact CB-CE3 3.89Å; R69-W86 HydrophobicContact CB-CZ3 4.47Å; R69-W86 VanDerWaalsContact CZ-CZ3 3.45Å; R69-G89 PolarHBondContact NH2-O 2.91Å; R69-G89 VanDerWaalsContact NH2-O 3.15Å; R69-G89 PolarHBondContact O-N 3.02Å
70H94.9Very high93Very high42 Ų4242.5 Ų42.519%0.19421%0.208CC..EExtended strand (participates in β ladder)trans-149.4163.9-171.4-158.4105000110.3Q63 Q65 K68 L72 W86Q63-H70 CarbonylContact C-O 3.53Å; Q63-H70 VanDerWaalsContact CB-O 3.24Å; Q63-H70 WeakPolarHBondContact CB-O 3.47Å; Q63-H70 PolarHBondContact O-N 3.4Å; Q63-H70 VanDerWaalsContact O-N 3.13Å; Q65-H70 HydrophobicContact CB-CB 3.63Å; Q65-H70 PolarHBondContact OE1-CE1 2.79Å; Q65-H70 PolarHBondContact OE1-ND1 3.01Å; K68-H70 PolarHBondContact O-N 3.15Å; H70-L72 PolarHBondContact O-N 2.82Å; H70-W86 CarbonylContact C-O 3.54Å
71G97.2Very high93Very high22 Ų2242.8 Ų42.823%0.22721%0.21CC..EExtended strand (participates in β ladder)trans73.6-117.2170.200000111E85 W86G71-E85 CarbonylContact O-C 3.58Å; G71-E85 VanDerWaalsContact O-CA 3.27Å; G71-E85 WeakPolarHBondContact O-CA 3.46Å; G71-W86 PolarHBondContact N-O 2.85Å; G71-W86 PolarHBondContact O-N 3.45Å
72L98.2Very high93Very high30 Ų3042 Ų4216%0.15721%0.206CC..EExtended strand (participates in β ladder)trans-120.1139.8179-69.2167.8000111.3Q63 H70 E85 Q396 A397 A400Q63-L72 PolarHBondContact N-O 2.85Å; H70-L72 PolarHBondContact O-N 2.82Å; L72-E85 HydrophobicContact CD2-CG 4.35Å; L72-Q396 HydrophobicContact CD1-CB 3.72Å; L72-Q396 HydrophobicContact CD2-CB 4.38Å; L72-A397 HydrophobicContact CB-CB 4.5Å; L72-A397 HydrophobicContact CD2-CB 4.48Å; L72-A400 HydrophobicContact CB-CB 3.69Å
73G97.1Very high93Very high0 Ų044.6 Ų44.60%022%0.216CC..EExtended strand (participates in β ladder)trans177.5172.6175.700000115.3E61 G84 W86E61-G73 CarbonylContact O-C 3.45Å; E61-G73 VanDerWaalsContact O-CA 3.26Å; E61-G73 WeakPolarHBondContact O-CA 3.41Å; G73-G84 PolarHBondContact N-O 2.77Å; G73-G84 VanDerWaalsContact N-O 3.1Å; G73-G84 PolarHBondContact O-N 2.92Å; G73-W86 PolarHBondContact O-NE1 2.86Å
74I97.8Very high93Very high6 Ų641.4 Ų41.43%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-113.2131.4-176.1-57.4-176.3000109.5Y60 E61 R76 V81 Y82 R83 D398 A401Y60-I74 CarbonylContact C-O 3.59Å; Y60-I74 VanDerWaalsContact CA-O 3.24Å; Y60-I74 WeakPolarHBondContact CA-O 3.22Å; Y60-I74 WeakPolarHBondContact CD2-O 3.43Å; E61-I74 HydrophobicContact CB-CB 4.5Å; E61-I74 PolarHBondContact N-O 3.1Å; E61-I74 PolarHBondContact O-N 3.23Å; I74-R76 HydrophobicContact CG2-CG 4.21Å; I74-V81 HydrophobicContact CG2-CG1 3.63Å; I74-Y82 CarbonylContact C-O 3.35Å; I74-Y82 VanDerWaalsContact CA-O 3.22Å; I74-Y82 WeakPolarHBondContact CA-O 3.34Å; I74-Y82 WeakPolarHBondContact CG2-O 3.42Å; I74-R83 HydrophobicContact CD1-CG 4.15Å; I74-R83 HydrophobicContact CG1-CB 4.47Å; I74-R83 HydrophobicContact CG1-CG 4Å; I74-R83 HydrophobicContact CG2-CG 4.23Å; I74-D398 WeakPolarHBondContact CD1-OD1 3.28Å; I74-A401 HydrophobicContact CB-CB 4.36Å; I74-A401 HydrophobicContact CD1-CB 3.48Å; I74-A401 VanDerWaalsContact CD1-CB 3.48Å; I74-A401 HydrophobicContact CG1-CB 3.75Å
75E95.4Very high93.1Very high13 Ų1342.5 Ų42.56%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-109.1120.5167.2168.6-173.2-92.800108.6T59 Y60 R69 R77 V81 Y82 W86 K91T59-E75 WeakPolarHBondContact O-CA 3.32Å; Y60-E75 HydrophobicContact CD2-CB 4.42Å; R69-E75 IonicContact CZ-OE1 3.84Å; R69-E75 IonicContact NH1-OE1 3.47Å; R69-E75 PolarHBondContact NH1-OE1 3.12Å; R69-E75 IonicContact NH2-OE1 3.4Å; E75-R77 HydrophobicContact CG-CB 4.28Å; E75-R77 IonicContact OE1-NE 3.07Å; E75-R77 IonicContact OE1-NH2 3.48Å; E75-R77 IonicContact OE2-CZ 2.94Å; E75-R77 IonicContact OE2-NE 3.09Å; E75-R77 IonicContact OE2-NH2 3.9Å; E75-R77 PolarHBondContact OE2-NH2 3.22Å; E75-R77 VanDerWaalsContact OE2-NH2 3.08Å; E75-V81 CarbonylContact O-C 3.48Å; E75-V81 WeakPolarHBondContact O-CA 3.45Å; E75-Y82 PolarHBondContact N-O 2.9Å; E75-Y82 PolarHBondContact O-N 3.4Å; E75-W86 HydrophobicContact CB-CH2 3.72Å; E75-W86 HydrophobicContact CB-CZ2 3.53Å; E75-W86 HydrophobicContact CG-CH2 4.34Å; E75-K91 IonicContact OE1-NZ 3.67Å; E75-K91 IonicContact OE2-NZ 3.07Å; E75-K91 PolarHBondContact OE2-NZ 3.31Å
76R93.4Very high93.2Very high93 Ų9338.8 Ų38.835%0.35119%0.19SC..EExtended strand (participates in β ladder)trans-100.9116168.3-48.2-174-169.6-85.3-11.2108.1N58 T59 E61 I74 V81N58-R76 CarbonylContact C-O 3.55Å; N58-R76 VanDerWaalsContact CA-O 3.28Å; N58-R76 WeakPolarHBondContact CA-O 3.32Å; N58-R76 WeakPolarHBondContact CB-O 3.3Å; T59-R76 PolarHBondContact N-O 3.29Å; T59-R76 PolarHBondContact O-N 3.29Å; T59-R76 WeakPolarHBondContact OG1-CB 3.37Å; T59-R76 WeakPolarHBondContact OG1-CD 3.39Å; T59-R76 WeakPolarHBondContact OG1-CG 3.34Å; E61-R76 WeakPolarHBondContact OE1-CD 3.3Å; E61-R76 IonicContact OE1-CZ 3.65Å; E61-R76 IonicContact OE1-NE 3.64Å; E61-R76 PolarHBondContact OE1-NE 3.46Å; E61-R76 IonicContact OE1-NH2 3.77Å; E61-R76 IonicContact OE2-CZ 2.82Å; E61-R76 IonicContact OE2-NE 2.67Å; E61-R76 PolarHBondContact OE2-NE 3.19Å; E61-R76 IonicContact OE2-NH2 2.7Å; E61-R76 PolarHBondContact OE2-NH2 2.87Å; I74-R76 HydrophobicContact CG2-CG 4.21Å; R76-V81 HydrophobicContact CB-CG2 4.34Å; R76-V81 HydrophobicContact CG-CG1 4.45Å; R76-V81 HydrophobicContact CG-CG2 4.14Å
77R87.1Confident93.4Very high51 Ų5137.7 Ų37.719%0.19219%0.186CC..EExtended strand (participates in β ladder)trans-133.2104.6-180-179.314850.2104.10.5111N58 E75 R79 W80 S170N58-R77 VanDerWaalsContact OD1-CA 3.24Å; N58-R77 WeakPolarHBondContact OD1-CA 3.41Å; E75-R77 HydrophobicContact CG-CB 4.28Å; E75-R77 IonicContact OE1-NE 3.07Å; E75-R77 IonicContact OE1-NH2 3.48Å; E75-R77 IonicContact OE2-CZ 2.94Å; E75-R77 IonicContact OE2-NE 3.09Å; E75-R77 IonicContact OE2-NH2 3.9Å; E75-R77 PolarHBondContact OE2-NH2 3.22Å; E75-R77 VanDerWaalsContact OE2-NH2 3.08Å; R77-R79 PolarHBondContact O-N 2.78Å; R77-W80 PolarHBondContact N-O 3.15Å; R77-W80 WeakPolarHBondContact O-CB 3.32Å; R77-W80 PolarHBondContact O-N 2.88Å; R77-S170 PolarHBondContact NH1-O 2.86Å; R77-S170 PolarHBondContact NH2-O 2.79Å
78G86Confident93.4Very high64 Ų6441.4 Ų41.466%0.6620%0.203SC*.THydrogen-bonded Turntrans51.9-118.7-172.400000112.6N58 W80N58-G78 PolarHBondContact OD1-N 3.14Å; G78-W80 VanDerWaalsContact C-N 3.29Å; G78-W80 PolarHBondContact O-N 2.84Å
79R86.9Confident93.3Very high171 Ų17139.1 Ų39.165%0.64520%0.197SC*.THydrogen-bonded Turntrans-87.212.7179.2-61.8-177.8-65.8-177.3-4.6114.4R77 S99 T100R77-R79 PolarHBondContact O-N 2.78Å; R79-S99 CarbonylContact O-C 3.57Å; R79-S99 VanDerWaalsContact O-CA 3.28Å; R79-S99 WeakPolarHBondContact O-CA 3.47Å; R79-S99 PolarHBondContact O-OG 3.1Å; R79-T100 WeakPolarHBondContact CA-OG1 3.33Å; R79-T100 PolarHBondContact O-N 3.37Å; R79-T100 PolarHBondContact O-OG1 3.4Å
80W87.6Confident93Very high28 Ų2840.9 Ų40.911%0.10620%0.204CC..EExtended strand (participates in β ladder)trans-121137.6-176.4-74119.9000112R77 G78 R97 A104 T166 L168 D173R77-W80 PolarHBondContact N-O 3.15Å; R77-W80 WeakPolarHBondContact O-CB 3.32Å; R77-W80 PolarHBondContact O-N 2.88Å; G78-W80 VanDerWaalsContact C-N 3.29Å; G78-W80 PolarHBondContact O-N 2.84Å; W80-R97 HydrophobicContact CD2-CG 4.35Å; W80-R97 HydrophobicContact CE3-CG 3.63Å; W80-R97 HydrophobicContact CZ3-CG 4.1Å; W80-A104 HydrophobicContact CH2-CB 4.25Å; W80-T166 HydrophobicContact CH2-CG2 3.42Å; W80-T166 VanDerWaalsContact CH2-CG2 3.42Å; W80-T166 HydrophobicContact CZ2-CG2 3.46Å; W80-T166 VanDerWaalsContact CZ2-CG2 3.46Å; W80-T166 HydrophobicContact CZ3-CG2 4.47Å; W80-L168 HydrophobicContact CH2-CD2 3.73Å; W80-L168 HydrophobicContact CZ2-CD2 4.5Å; W80-L168 HydrophobicContact CZ3-CD2 4.18Å; W80-D173 PolarHBondContact NE1-OD2 2.84Å
81V94.3Very high92.9Very high6 Ų639.7 Ų39.74%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-126.5120.31701790000109.4I74 E75 R76 R83 R97 H98 T100I74-V81 HydrophobicContact CG2-CG1 3.63Å; E75-V81 CarbonylContact O-C 3.48Å; E75-V81 WeakPolarHBondContact O-CA 3.45Å; R76-V81 HydrophobicContact CB-CG2 4.34Å; R76-V81 HydrophobicContact CG-CG1 4.45Å; R76-V81 HydrophobicContact CG-CG2 4.14Å; V81-R83 HydrophobicContact CG1-CG 4.12Å; V81-R97 VanDerWaalsContact O-CA 3.29Å; V81-R97 WeakPolarHBondContact O-CA 3.19Å; V81-R97 WeakPolarHBondContact O-CG 3.4Å; V81-H98 PolarHBondContact N-O 3.16Å; V81-H98 PolarHBondContact O-N 2.8Å; V81-H98 PolarHBondContact O-ND1 3.02Å; V81-T100 HydrophobicContact CG2-CG2 3.66Å
82Y96Very high92.6Very high1 Ų138.9 Ų38.90%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-97.5139.6168.3174.7-92.5000110.1I74 E75 E85 W86 K91 Y94 V96 R97 W110I74-Y82 CarbonylContact C-O 3.35Å; I74-Y82 VanDerWaalsContact CA-O 3.22Å; I74-Y82 WeakPolarHBondContact CA-O 3.34Å; I74-Y82 WeakPolarHBondContact CG2-O 3.42Å; E75-Y82 PolarHBondContact N-O 2.9Å; E75-Y82 PolarHBondContact O-N 3.4Å; Y82-E85 PolarHBondContact OH-O 3Å; Y82-W86 AromaticContact CD1-CE2 3.72Å; Y82-W86 HydrophobicContact CD1-CH2 4.4Å; Y82-W86 AromaticContact CD1-CZ2 3.45Å; Y82-W86 HydrophobicContact CD1-CZ2 3.45Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.45Å; Y82-W86 AromaticContact CD1-NE1 3.77Å; Y82-W86 HydrophobicContact CE1-CD2 4.48Å; Y82-W86 AromaticContact CE1-CE2 3.64Å; Y82-W86 AromaticContact CE1-CZ2 3.83Å; Y82-W86 HydrophobicContact CE1-CZ2 3.83Å; Y82-W86 AromaticContact CE1-NE1 3.51Å; Y82-W86 HydrophobicContact CG-CZ2 4.46Å; Y82-K91 HydrophobicContact CD1-CD 4.39Å; Y82-K91 HydrophobicContact CD1-CG 4.09Å; Y82-K91 HydrophobicContact CD2-CD 3.7Å; Y82-K91 HydrophobicContact CD2-CG 4.15Å; Y82-K91 HydrophobicContact CE1-CB 4.26Å; Y82-K91 HydrophobicContact CE1-CD 4.41Å; Y82-K91 HydrophobicContact CE1-CG 3.79Å; Y82-K91 HydrophobicContact CE2-CB 4.16Å; Y82-K91 HydrophobicContact CE2-CD 3.74Å; Y82-K91 HydrophobicContact CE2-CG 3.88Å; Y82-K91 HydrophobicContact CG-CD 4.03Å; Y82-K91 VanDerWaalsContact CG-CE 3.45Å; Y82-K91 HydrophobicContact CG-CG 4.24Å; Y82-Y94 PolarHBondContact OH-O 3.18Å; Y82-V96 CarbonylContact C-O 3.52Å; Y82-V96 VanDerWaalsContact CA-O 3.27Å; Y82-V96 WeakPolarHBondContact CA-O 3.29Å; Y82-V96 WeakPolarHBondContact CD2-O 3.44Å; Y82-R97 HydrophobicContact CD2-CB 4.23Å; Y82-W110 HydrophobicContact CD2-CH2 4.07Å; Y82-W110 AromaticContact CD2-CZ2 3.71Å; Y82-W110 HydrophobicContact CD2-CZ2 3.71Å; Y82-W110 HydrophobicContact CE2-CD2 4.15Å; Y82-W110 AromaticContact CE2-CE2 3.59Å; Y82-W110 HydrophobicContact CE2-CH2 4.3Å; Y82-W110 AromaticContact CE2-CZ2 3.68Å; Y82-W110 HydrophobicContact CE2-CZ2 3.68Å; Y82-W110 AromaticContact CE2-NE1 3.75Å
83R97.8Very high92.5Very high55 Ų5545.2 Ų45.221%0.20821%0.212CC..EExtended strand (participates in β ladder)trans-135.2124.5177.7-61.3168.152.8-167.7-9.7107.9I74 V81 G95 V96 A394 D398I74-R83 HydrophobicContact CD1-CG 4.15Å; I74-R83 HydrophobicContact CG1-CB 4.47Å; I74-R83 HydrophobicContact CG1-CG 4Å; I74-R83 HydrophobicContact CG2-CG 4.23Å; V81-R83 HydrophobicContact CG1-CG 4.12Å; R83-G95 CarbonylContact O-C 3.56Å; R83-G95 WeakPolarHBondContact O-CA 3.49Å; R83-V96 PolarHBondContact N-O 2.9Å; R83-V96 PolarHBondContact O-N 2.81Å; R83-A394 HydrophobicContact CB-CB 3.71Å; R83-A394 PolarHBondContact NE-O 3.04Å; R83-A394 VanDerWaalsContact NH2-C 3.31Å; R83-A394 PolarHBondContact NH2-O 2.88Å; R83-D398 VanDerWaalsContact CZ-CG 3.42Å; R83-D398 IonicContact CZ-OD1 3.9Å; R83-D398 IonicContact CZ-OD2 2.8Å; R83-D398 IonicContact NE-OD1 2.97Å; R83-D398 PolarHBondContact NE-OD1 2.89Å; R83-D398 IonicContact NE-OD2 3.77Å; R83-D398 IonicContact NH1-OD2 2.7Å; R83-D398 IonicContact NH2-OD1 3.71Å; R83-D398 PolarHBondContact NH2-OD1 3.05Å; R83-D398 IonicContact NH2-OD2 2.75Å; R83-D398 PolarHBondContact NH2-OD2 2.9Å
84G97.3Very high92.6Very high0 Ų046.6 Ų46.60%022%0.218CC..EExtended strand (participates in β ladder)trans153.9-150.2176.800000114.2G73 W86G73-G84 PolarHBondContact N-O 2.77Å; G73-G84 VanDerWaalsContact N-O 3.1Å; G73-G84 PolarHBondContact O-N 2.92Å; G84-W86 VanDerWaalsContact O-CD1 3.32Å
85E97.3Very high92.5Very high36 Ų3646.3 Ų46.317%0.16822%0.216CC..EExtended strand (participates in β ladder)trans-75151.2-176.7-63.5177.316400112.5G71 L72 Y82 G92 R93 Y94 R393G71-E85 CarbonylContact O-C 3.58Å; G71-E85 VanDerWaalsContact O-CA 3.27Å; G71-E85 WeakPolarHBondContact O-CA 3.46Å; L72-E85 HydrophobicContact CD2-CG 4.35Å; Y82-E85 PolarHBondContact OH-O 3Å; E85-G92 PolarHBondContact O-N 3.4Å; E85-R93 WeakPolarHBondContact OE2-CA 3.17Å; E85-R93 VanDerWaalsContact OE2-CB 3.32Å; E85-R93 WeakPolarHBondContact OE2-CB 3.19Å; E85-R93 PolarHBondContact OE2-N 3.2Å; E85-Y94 WeakPolarHBondContact CB-O 3.11Å; E85-Y94 PolarHBondContact N-O 2.82Å; E85-Y94 PolarHBondContact OE2-N 2.96Å; E85-R393 HydrophobicContact CG-CB 4.27Å; E85-R393 HydrophobicContact CG-CG 3.99Å; E85-R393 VanDerWaalsContact OE1-CD 3.29Å; E85-R393 WeakPolarHBondContact OE1-CD 3.28Å; E85-R393 IonicContact OE1-NE 2.76Å; E85-R393 PolarHBondContact OE1-NE 3.16Å
86W95Very high92.6Very high3 Ų345.9 Ų45.91%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-134.3145.8174.2-69.283.9000110.7Y60 R69 H70 G71 G73 E75 Y82 G84 Y90 K91Y60-W86 HydrophobicContact CD2-CZ2 4.1Å; Y60-W86 AromaticContact CE2-CD1 3.97Å; Y60-W86 AromaticContact CE2-CD2 3.87Å; Y60-W86 HydrophobicContact CE2-CD2 3.87Å; Y60-W86 AromaticContact CE2-CE2 3.51Å; Y60-W86 HydrophobicContact CE2-CE3 4.49Å; Y60-W86 HydrophobicContact CE2-CG 4.16Å; Y60-W86 HydrophobicContact CE2-CH2 4.44Å; Y60-W86 AromaticContact CE2-CZ2 3.82Å; Y60-W86 HydrophobicContact CE2-CZ2 3.82Å; Y60-W86 AromaticContact CE2-NE1 3.58Å; R69-W86 HydrophobicContact CB-CD2 4.3Å; R69-W86 HydrophobicContact CB-CE3 3.89Å; R69-W86 HydrophobicContact CB-CZ3 4.47Å; R69-W86 VanDerWaalsContact CZ-CZ3 3.45Å; H70-W86 CarbonylContact C-O 3.54Å; G71-W86 PolarHBondContact N-O 2.85Å; G71-W86 PolarHBondContact O-N 3.45Å; G73-W86 PolarHBondContact O-NE1 2.86Å; E75-W86 HydrophobicContact CB-CH2 3.72Å; E75-W86 HydrophobicContact CB-CZ2 3.53Å; E75-W86 HydrophobicContact CG-CH2 4.34Å; Y82-W86 AromaticContact CD1-CE2 3.72Å; Y82-W86 HydrophobicContact CD1-CH2 4.4Å; Y82-W86 AromaticContact CD1-CZ2 3.45Å; Y82-W86 HydrophobicContact CD1-CZ2 3.45Å; Y82-W86 VanDerWaalsContact CD1-CZ2 3.45Å; Y82-W86 AromaticContact CD1-NE1 3.77Å; Y82-W86 HydrophobicContact CE1-CD2 4.48Å; Y82-W86 AromaticContact CE1-CE2 3.64Å; Y82-W86 AromaticContact CE1-CZ2 3.83Å; Y82-W86 HydrophobicContact CE1-CZ2 3.83Å; Y82-W86 AromaticContact CE1-NE1 3.51Å; Y82-W86 HydrophobicContact CG-CZ2 4.46Å; G84-W86 VanDerWaalsContact O-CD1 3.32Å; W86-Y90 CarbonylContact C-O 3.59Å; W86-Y90 VanDerWaalsContact CA-O 3.31Å; W86-Y90 WeakPolarHBondContact CA-O 3.42Å; W86-Y90 VanDerWaalsContact CE3-C 3.46Å; W86-Y90 VanDerWaalsContact CE3-O 3.25Å; W86-K91 HydrophobicContact CH2-CG 4.14Å; W86-K91 HydrophobicContact CZ2-CG 4.42Å; W86-K91 HydrophobicContact CZ3-CG 4.23Å
87T92Very high92.7Very high70 Ų7041.8 Ų41.843%0.42920%0.199SC..EExtended strand (participates in β ladder)trans-149.3115-179.3-53.90000109.4G89 Y90T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 2.94Å; T87-Y90 PolarHBondContact N-O 3.13Å; T87-Y90 PolarHBondContact O-N 2.85Å
88Q87.8Confident93Very high81 Ų8142 Ų4238%0.37920%0.202SC..THydrogen-bonded Turntrans53.339.7175-60.3-60.5-29.600114Y90Q88-Y90 WeakPolarHBondContact O-CD2 3.29Å
89G87.4Confident93.1Very high14 Ų1439.4 Ų39.414%0.14417%0.174CC..THydrogen-bonded Turntrans91-13.3179.300000115.3R69 T87R69-G89 PolarHBondContact NH2-O 2.91Å; R69-G89 VanDerWaalsContact NH2-O 3.15Å; R69-G89 PolarHBondContact O-N 3.02Å; T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 2.94Å
90Y87.5Confident93.3Very high73 Ų7335.5 Ų35.529%0.28617%0.169SC..EExtended strand (participates in β ladder)trans-98.4163.1176.9-57.3-92.7000112.2W86 T87 Q88 G92 Y668W86-Y90 CarbonylContact C-O 3.59Å; W86-Y90 VanDerWaalsContact CA-O 3.31Å; W86-Y90 WeakPolarHBondContact CA-O 3.42Å; W86-Y90 VanDerWaalsContact CE3-C 3.46Å; W86-Y90 VanDerWaalsContact CE3-O 3.25Å; T87-Y90 PolarHBondContact N-O 3.13Å; T87-Y90 PolarHBondContact O-N 2.85Å; Q88-Y90 WeakPolarHBondContact O-CD2 3.29Å; Y90-G92 PolarHBondContact O-N 3.04Å; Y90-Y668 AromaticContact CE1-CD1 3.62Å; Y90-Y668 HydrophobicContact CE1-CD1 3.62Å; Y90-Y668 HydrophobicContact CE1-CD2 4.43Å; Y90-Y668 HydrophobicContact CE1-CE1 4.13Å; Y90-Y668 AromaticContact CE1-CG 3.82Å; Y90-Y668 HydrophobicContact CE1-CG 3.82Å; Y90-Y668 AromaticContact CZ-CD1 3.74Å; Y90-Y668 AromaticContact CZ-CE1 3.85Å; Y90-Y668 AromaticContact CZ-CG 3.85Å; Y90-Y668 WeakPolarHBondContact OH-CD1 3.24Å; Y90-Y668 WeakPolarHBondContact OH-CE1 3.46Å
91K91.6Very high93.3Very high16 Ų1637.7 Ų37.77%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-60.3132.1163.2-64.7169.6171.747.20109.3E75 Y82 W86 W110E75-K91 IonicContact OE1-NZ 3.67Å; E75-K91 IonicContact OE2-NZ 3.07Å; E75-K91 PolarHBondContact OE2-NZ 3.31Å; Y82-K91 HydrophobicContact CD1-CD 4.39Å; Y82-K91 HydrophobicContact CD1-CG 4.09Å; Y82-K91 HydrophobicContact CD2-CD 3.7Å; Y82-K91 HydrophobicContact CD2-CG 4.15Å; Y82-K91 HydrophobicContact CE1-CB 4.26Å; Y82-K91 HydrophobicContact CE1-CD 4.41Å; Y82-K91 HydrophobicContact CE1-CG 3.79Å; Y82-K91 HydrophobicContact CE2-CB 4.16Å; Y82-K91 HydrophobicContact CE2-CD 3.74Å; Y82-K91 HydrophobicContact CE2-CG 3.88Å; Y82-K91 HydrophobicContact CG-CD 4.03Å; Y82-K91 VanDerWaalsContact CG-CE 3.45Å; Y82-K91 HydrophobicContact CG-CG 4.24Å; W86-K91 HydrophobicContact CH2-CG 4.14Å; W86-K91 HydrophobicContact CZ2-CG 4.42Å; W86-K91 HydrophobicContact CZ3-CG 4.23Å; K91-W110 HydrophobicContact CD-CD2 4.38Å; K91-W110 HydrophobicContact CD-CE3 3.82Å; K91-W110 HydrophobicContact CD-CH2 4.22Å; K91-W110 HydrophobicContact CD-CZ3 3.72Å
92G92.3Very high92.9Very high6 Ų639.4 Ų39.46%0.06220%0.201CC..EExtended strand (participates in β ladder)trans-74.9-151.9-176.300000112.9E85 Y90 W110E85-G92 PolarHBondContact O-N 3.4Å; Y90-G92 PolarHBondContact O-N 3.04Å; G92-W110 WeakPolarHBondContact O-CB 3.33Å
93R96.3Very high92.3Very high163 Ų16344.6 Ų44.662%0.61523%0.229SC*.EExtended strand (participates in β ladder)trans-76.8-38.6-176.4177.6-179.3-67.1-79.71111.9E85 T109 W110E85-R93 WeakPolarHBondContact OE2-CA 3.17Å; E85-R93 VanDerWaalsContact OE2-CB 3.32Å; E85-R93 WeakPolarHBondContact OE2-CB 3.19Å; E85-R93 PolarHBondContact OE2-N 3.2Å; R93-T109 HydrophobicContact CG-CG2 4.38Å; R93-T109 CarbonylContact O-C 3.55Å; R93-T109 WeakPolarHBondContact O-CA 3.31Å; R93-T109 WeakPolarHBondContact O-CB 3.38Å; R93-W110 PolarHBondContact O-N 3.16Å
94Y97.9Very high91.9Very high28 Ų2842 Ų4211%0.1122%0.219CC..EExtended strand (participates in β ladder)trans-123.2142.6-174.6-65.4-77.3000112.4Y82 E85 T109 R386 T389 A390Y82-Y94 PolarHBondContact OH-O 3.18Å; E85-Y94 WeakPolarHBondContact CB-O 3.11Å; E85-Y94 PolarHBondContact N-O 2.82Å; E85-Y94 PolarHBondContact OE2-N 2.96Å; Y94-T109 HydrophobicContact CD1-CG2 3.66Å; Y94-T109 HydrophobicContact CE1-CG2 3.47Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.47Å; Y94-R386 PolarHBondContact OH-NH1 3.38Å; Y94-T389 HydrophobicContact CD1-CG2 3.96Å; Y94-T389 HydrophobicContact CD2-CG2 4.14Å; Y94-T389 HydrophobicContact CE1-CG2 3.74Å; Y94-T389 HydrophobicContact CE2-CG2 3.91Å; Y94-T389 HydrophobicContact CG-CG2 4.16Å; Y94-A390 HydrophobicContact CD1-CB 4.26Å
95G96.4Very high91.7Very high0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans172.7169.2166.500000114.7R83 G108 W110R83-G95 CarbonylContact O-C 3.56Å; R83-G95 WeakPolarHBondContact O-CA 3.49Å; G95-G108 PolarHBondContact N-O 2.82Å; G95-G108 PolarHBondContact O-N 2.87Å; G95-W110 PolarHBondContact O-NE1 2.67Å
96V97.5Very high91.6Very high4 Ų444.9 Ų44.92%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-100.6141.7177.6-1790000109.1Y82 R83 R105 Y106 T107 D391 A394Y82-V96 CarbonylContact C-O 3.52Å; Y82-V96 VanDerWaalsContact CA-O 3.27Å; Y82-V96 WeakPolarHBondContact CA-O 3.29Å; Y82-V96 WeakPolarHBondContact CD2-O 3.44Å; R83-V96 PolarHBondContact N-O 2.9Å; R83-V96 PolarHBondContact O-N 2.81Å; V96-R105 HydrophobicContact CG1-CG 4.17Å; V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.3Å; V96-Y106 WeakPolarHBondContact CA-O 3.46Å; V96-Y106 WeakPolarHBondContact CG1-O 3.37Å; V96-T107 HydrophobicContact CG2-CG2 4.02Å; V96-D391 WeakPolarHBondContact CG2-OD1 3.45Å; V96-A394 HydrophobicContact CB-CB 3.92Å; V96-A394 HydrophobicContact CG2-CB 3.42Å; V96-A394 VanDerWaalsContact CG2-CB 3.42Å
97R94.9Very high91.7Very high7 Ų744.9 Ų44.93%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-129.2126.1156.7-177.5177.757.1161-15.2110.1W80 V81 Y82 R105 Y106 W110 L168 R169W80-R97 HydrophobicContact CD2-CG 4.35Å; W80-R97 HydrophobicContact CE3-CG 3.63Å; W80-R97 HydrophobicContact CZ3-CG 4.1Å; V81-R97 VanDerWaalsContact O-CA 3.29Å; V81-R97 WeakPolarHBondContact O-CA 3.19Å; V81-R97 WeakPolarHBondContact O-CG 3.4Å; Y82-R97 HydrophobicContact CD2-CB 4.23Å; R97-R105 CarbonylContact O-C 3.45Å; R97-R105 WeakPolarHBondContact O-CA 3.4Å; R97-Y106 PolarHBondContact N-O 3.39Å; R97-Y106 PolarHBondContact O-N 2.73Å; R97-W110 HydrophobicContact CB-CH2 3.8Å; R97-W110 HydrophobicContact CB-CZ2 3.84Å; R97-L168 PolarHBondContact NH2-O 3.4Å; R97-R169 PolarHBondContact NH1-O 3Å; R97-R169 PolarHBondContact NH2-O 2.87Å
98H93.1Very high91.9Very high55 Ų5541.5 Ų41.526%0.25521%0.208SC..EExtended strand (participates in β ladder)trans-123.7152.8176.264.6-80.8000111.1V81 A104 R105V81-H98 PolarHBondContact N-O 3.16Å; V81-H98 PolarHBondContact O-N 2.8Å; V81-H98 PolarHBondContact O-ND1 3.02Å; H98-A104 CarbonylContact C-O 3.56Å; H98-A104 WeakPolarHBondContact CA-O 3.4Å; H98-R105 HydrophobicContact CB-CB 4.3Å; H98-R105 HydrophobicContact CB-CG 4.34Å
99S89.1Confident92.4Very high10 Ų1038.3 Ų38.37%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-80.8141.5170.9178.50000109.9R79 S101 S102 A104R79-S99 CarbonylContact O-C 3.57Å; R79-S99 VanDerWaalsContact O-CA 3.28Å; R79-S99 WeakPolarHBondContact O-CA 3.47Å; R79-S99 PolarHBondContact O-OG 3.1Å; S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-N 2.8Å; S99-S101 PolarHBondContact OG-OG 2.87Å; S99-S102 WeakPolarHBondContact CB-OG 3.34Å; S99-S102 PolarHBondContact OG-N 3.39Å; S99-S102 PolarHBondContact OG-OG 2.93Å; S99-S102 VanDerWaalsContact OG-OG 3.05Å; S99-A104 PolarHBondContact N-O 2.92Å
100T89.8Confident92.6Very high90 Ų9038.1 Ų38.155%0.55219%0.189SC*.SBendtrans-79.3-12.7172.356.40000112.8R79 V81R79-T100 WeakPolarHBondContact CA-OG1 3.33Å; R79-T100 PolarHBondContact O-N 3.37Å; R79-T100 PolarHBondContact O-OG1 3.4Å; V81-T100 HydrophobicContact CG2-CG2 3.66Å
101S87.6Confident92.7Very high74 Ų7436.6 Ų36.652%0.51719%0.191SC..SBendtrans-119.35.1-173.270.40000114.3S99S99-S101 VanDerWaalsContact C-N 3.28Å; S99-S101 PolarHBondContact OG-N 2.8Å; S99-S101 PolarHBondContact OG-OG 2.87Å
102S86Confident92.2Very high42 Ų4241.4 Ų41.429%0.29422%0.218SC..SBendtrans-162.8162.5-178.364.10000111.7S99 A104S99-S102 WeakPolarHBondContact CB-OG 3.34Å; S99-S102 PolarHBondContact OG-N 3.39Å; S99-S102 PolarHBondContact OG-OG 2.93Å; S99-S102 VanDerWaalsContact OG-OG 3.05Å; S102-A104 PolarHBondContact O-N 3.29Å; S102-A104 WeakPolarHBondContact OG-CB 3.33Å
103N84.1Confident91.7Very high110 Ų11041.3 Ų41.359%0.58822%0.217SC*.SBendtrans-71.415.1176.1-165.728.4000114.1R105N103-R105 PolarHBondContact O-N 3.37Å
104A88.2Confident91.2Very high0 Ų035.9 Ų35.90%020%0.2CC..  trans-73.8119.1178.700000111.1W80 H98 S99 S102 N122 A124 T166W80-A104 HydrophobicContact CH2-CB 4.25Å; H98-A104 CarbonylContact C-O 3.56Å; H98-A104 WeakPolarHBondContact CA-O 3.4Å; S99-A104 PolarHBondContact N-O 2.92Å; S102-A104 PolarHBondContact O-N 3.29Å; S102-A104 WeakPolarHBondContact OG-CB 3.33Å; A104-N122 WeakPolarHBondContact CA-O 3.45Å; A104-A124 HydrophobicContact CB-CB 4.31Å; A104-T166 HydrophobicContact CB-CG2 3.35Å; A104-T166 WeakPolarHBondContact CB-OG1 3.33Å
105R93.3Very high90.8Very high97 Ų9734.6 Ų34.637%0.36620%0.195SC..EExtended strand (participates in β ladder)trans-142.3136-178.5176.4174.5169.6-178.5-3.1111.1V96 R97 H98 N103 T107 E121 N122 D391V96-R105 HydrophobicContact CG1-CG 4.17Å; R97-R105 CarbonylContact O-C 3.45Å; R97-R105 WeakPolarHBondContact O-CA 3.4Å; H98-R105 HydrophobicContact CB-CB 4.3Å; H98-R105 HydrophobicContact CB-CG 4.34Å; N103-R105 PolarHBondContact O-N 3.37Å; R105-T107 PolarHBondContact NE-OG1 3.43Å; R105-T107 PolarHBondContact NH2-OG1 2.96Å; R105-E121 CarbonylContact O-C 3.53Å; R105-E121 WeakPolarHBondContact O-CA 3.08Å; R105-N122 HydrophobicContact CB-CB 4.45Å; R105-N122 PolarHBondContact N-O 2.89Å; R105-N122 PolarHBondContact O-N 2.85Å; R105-D391 IonicContact CZ-OD1 3.23Å; R105-D391 IonicContact NH2-OD1 2.74Å; R105-D391 PolarHBondContact NH2-OD1 3.35Å; R105-D391 IonicContact NH2-OD2 2.79Å; R105-D391 PolarHBondContact NH2-OD2 3.01Å
106Y95.6Very high90.7Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-102.5137.1157.1-168.7-108.7000109.5V96 R97 T109 W110 Q115 T120 E121 W133 L168V96-Y106 CarbonylContact C-O 3.56Å; V96-Y106 VanDerWaalsContact CA-O 3.3Å; V96-Y106 WeakPolarHBondContact CA-O 3.46Å; V96-Y106 WeakPolarHBondContact CG1-O 3.37Å; R97-Y106 PolarHBondContact N-O 3.39Å; R97-Y106 PolarHBondContact O-N 2.73Å; Y106-T109 PolarHBondContact OH-O 2.88Å; Y106-T109 VanDerWaalsContact OH-O 3.07Å; Y106-W110 HydrophobicContact CD1-CD2 4.47Å; Y106-W110 AromaticContact CD1-CE2 3.54Å; Y106-W110 HydrophobicContact CD1-CH2 4.34Å; Y106-W110 AromaticContact CD1-CZ2 3.48Å; Y106-W110 HydrophobicContact CD1-CZ2 3.48Å; Y106-W110 VanDerWaalsContact CD1-CZ2 3.48Å; Y106-W110 AromaticContact CD1-NE1 3.6Å; Y106-W110 HydrophobicContact CE1-CD2 4.36Å; Y106-W110 AromaticContact CE1-CE2 3.78Å; Y106-W110 HydrophobicContact CE1-CZ2 4.18Å; Y106-W110 AromaticContact CE1-NE1 3.58Å; Y106-W110 HydrophobicContact CG-CZ2 4.3Å; Y106-Q115 HydrophobicContact CD1-CG 3.86Å; Y106-Q115 HydrophobicContact CD2-CG 3.76Å; Y106-Q115 HydrophobicContact CE1-CB 4.21Å; Y106-Q115 HydrophobicContact CE1-CG 3.59Å; Y106-Q115 HydrophobicContact CE2-CB 4Å; Y106-Q115 HydrophobicContact CE2-CG 3.5Å; Y106-Q115 VanDerWaalsContact CE2-CG 3.5Å; Y106-Q115 HydrophobicContact CG-CG 3.92Å; Y106-T120 WeakPolarHBondContact CA-O 3.12Å; Y106-T120 WeakPolarHBondContact CD2-O 3.42Å; Y106-E121 HydrophobicContact CD2-CB 4.48Å; Y106-W133 HydrophobicContact CD2-CZ2 4.45Å; Y106-W133 HydrophobicContact CE2-CD2 4.15Å; Y106-W133 AromaticContact CE2-CE2 3.72Å; Y106-W133 HydrophobicContact CE2-CG 4.44Å; Y106-W133 HydrophobicContact CE2-CZ2 4.04Å; Y106-W133 AromaticContact CE2-NE1 3.75Å; Y106-L168 HydrophobicContact CD2-CD1 3.62Å; Y106-L168 HydrophobicContact CG-CD1 3.98Å
107T97.5Very high90.6Very high2 Ų237.9 Ų37.91%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-133126.7158.9-66.70000107.8V96 R105 G119 T120 T387 A390 D391V96-T107 HydrophobicContact CG2-CG2 4.02Å; R105-T107 PolarHBondContact NE-OG1 3.43Å; R105-T107 PolarHBondContact NH2-OG1 2.96Å; T107-G119 WeakPolarHBondContact O-CA 3.34Å; T107-T120 PolarHBondContact N-O 3.14Å; T107-T120 PolarHBondContact O-N 3.3Å; T107-T120 PolarHBondContact O-OG1 2.83Å; T107-T387 HydrophobicContact CG2-CG2 3.54Å; T107-T387 WeakPolarHBondContact CG2-O 3.17Å; T107-A390 HydrophobicContact CG2-CB 3.59Å; T107-D391 WeakPolarHBondContact CG2-OD1 3.32Å; T107-D391 PolarHBondContact OG1-OD1 2.88Å
108G97Very high90.8Very high0 Ų039.9 Ų39.90%023%0.226CC..EExtended strand (participates in β ladder)trans161.4-154178.200000113.8G95 A390G95-G108 PolarHBondContact N-O 2.82Å; G95-G108 PolarHBondContact O-N 2.87Å; G108-A390 WeakPolarHBondContact O-CB 3.37Å
109T97Very high91Very high14 Ų1437.3 Ų37.39%0.08621%0.214CC..EExtended strand (participates in β ladder)trans-92.3150.1-178.955.60000114.2R93 Y94 Y106 D116 Y118 R386R93-T109 HydrophobicContact CG-CG2 4.38Å; R93-T109 CarbonylContact O-C 3.55Å; R93-T109 WeakPolarHBondContact O-CA 3.31Å; R93-T109 WeakPolarHBondContact O-CB 3.38Å; Y94-T109 HydrophobicContact CD1-CG2 3.66Å; Y94-T109 HydrophobicContact CE1-CG2 3.47Å; Y94-T109 VanDerWaalsContact CE1-CG2 3.47Å; Y106-T109 PolarHBondContact OH-O 2.88Å; Y106-T109 VanDerWaalsContact OH-O 3.07Å; T109-D116 CarbonylContact C-O 3.13Å; T109-D116 VanDerWaalsContact C-O 3.3Å; T109-D116 WeakPolarHBondContact CB-O 3.23Å; T109-D116 PolarHBondContact O-N 2.86Å; T109-D116 PolarHBondContact OG1-O 2.82Å; T109-Y118 PolarHBondContact N-O 3.45Å; T109-Y118 PolarHBondContact OG1-N 3.33Å; T109-Y118 PolarHBondContact OG1-O 2.89Å; T109-Y118 VanDerWaalsContact OG1-O 3.06Å; T109-R386 HydrophobicContact CG2-CB 4.48Å
110W92.7Very high91.3Very high10 Ų1037.5 Ų37.54%0.03822%0.215CC..EExtended strand (participates in β ladder)trans-130.2156.1-178-55.572.5000110.8Y82 K91 G92 R93 G95 R97 Y106 L114 Q115Y82-W110 HydrophobicContact CD2-CH2 4.07Å; Y82-W110 AromaticContact CD2-CZ2 3.71Å; Y82-W110 HydrophobicContact CD2-CZ2 3.71Å; Y82-W110 HydrophobicContact CE2-CD2 4.15Å; Y82-W110 AromaticContact CE2-CE2 3.59Å; Y82-W110 HydrophobicContact CE2-CH2 4.3Å; Y82-W110 AromaticContact CE2-CZ2 3.68Å; Y82-W110 HydrophobicContact CE2-CZ2 3.68Å; Y82-W110 AromaticContact CE2-NE1 3.75Å; K91-W110 HydrophobicContact CD-CD2 4.38Å; K91-W110 HydrophobicContact CD-CE3 3.82Å; K91-W110 HydrophobicContact CD-CH2 4.22Å; K91-W110 HydrophobicContact CD-CZ3 3.72Å; G92-W110 WeakPolarHBondContact O-CB 3.33Å; R93-W110 PolarHBondContact O-N 3.16Å; G95-W110 PolarHBondContact O-NE1 2.67Å; R97-W110 HydrophobicContact CB-CH2 3.8Å; R97-W110 HydrophobicContact CB-CZ2 3.84Å; Y106-W110 HydrophobicContact CD1-CD2 4.47Å; Y106-W110 AromaticContact CD1-CE2 3.54Å; Y106-W110 HydrophobicContact CD1-CH2 4.34Å; Y106-W110 AromaticContact CD1-CZ2 3.48Å; Y106-W110 HydrophobicContact CD1-CZ2 3.48Å; Y106-W110 VanDerWaalsContact CD1-CZ2 3.48Å; Y106-W110 AromaticContact CD1-NE1 3.6Å; Y106-W110 HydrophobicContact CE1-CD2 4.36Å; Y106-W110 AromaticContact CE1-CE2 3.78Å; Y106-W110 HydrophobicContact CE1-CZ2 4.18Å; Y106-W110 AromaticContact CE1-NE1 3.58Å; Y106-W110 HydrophobicContact CG-CZ2 4.3Å; W110-L114 CarbonylContact C-O 3.53Å; W110-L114 WeakPolarHBondContact CA-O 3.27Å; W110-L114 WeakPolarHBondContact CB-O 3.43Å; W110-Q115 HydrophobicContact CE3-CG 4.49Å; W110-Q115 VanDerWaalsContact CH2-NE2 3.32Å; W110-Q115 HydrophobicContact CZ3-CG 4.5Å
111A88.8Confident91.6Very high40 Ų4033.2 Ų33.233%0.33119%0.189SC..EExtended strand (participates in β ladder)trans-149.7138.1168.800000109.9G113 L114 D116A111-G113 PolarHBondContact O-N 2.89Å; A111-G113 VanDerWaalsContact O-N 3.13Å; A111-L114 PolarHBondContact N-O 3.11Å; A111-L114 PolarHBondContact O-N 2.94Å; A111-D116 HydrophobicContact CB-CB 3.71Å
112N81.2Confident91.7Very high117 Ų11732.2 Ų32.263%0.62618%0.178SC*.THydrogen-bonded Turntrans50.237.3-179.5-54.2-13.4000112.9L114N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 3.42Å
113G81Confident91.8Very high5 Ų530.5 Ų30.55%0.05217%0.165CC..THydrogen-bonded Turntrans79.2-11.4-176.600000116.6A111 S170A111-G113 PolarHBondContact O-N 2.89Å; A111-G113 VanDerWaalsContact O-N 3.13Å; G113-S170 VanDerWaalsContact O-CB 3.29Å; G113-S170 WeakPolarHBondContact O-CB 3.26Å; G113-S170 PolarHBondContact O-OG 2.76Å
114L86.4Confident91.8Very high49 Ų4926.5 Ų26.526%0.25715%0.147SC..EExtended strand (participates in β ladder)trans-102163.5-178.7-68.2167.1000112W110 A111 N112 R135W110-L114 CarbonylContact C-O 3.53Å; W110-L114 WeakPolarHBondContact CA-O 3.27Å; W110-L114 WeakPolarHBondContact CB-O 3.43Å; A111-L114 PolarHBondContact N-O 3.11Å; A111-L114 PolarHBondContact O-N 2.94Å; N112-L114 VanDerWaalsContact C-N 3.29Å; N112-L114 PolarHBondContact O-N 3.42Å; L114-R135 HydrophobicContact CD1-CB 4.49Å
115Q90.4Very high91.2Very high0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-70.5129.3171.1-58.973.224.800109.9Y106 W110 W133 R135 G136 L168Y106-Q115 HydrophobicContact CD1-CG 3.86Å; Y106-Q115 HydrophobicContact CD2-CG 3.76Å; Y106-Q115 HydrophobicContact CE1-CB 4.21Å; Y106-Q115 HydrophobicContact CE1-CG 3.59Å; Y106-Q115 HydrophobicContact CE2-CB 4Å; Y106-Q115 HydrophobicContact CE2-CG 3.5Å; Y106-Q115 VanDerWaalsContact CE2-CG 3.5Å; Y106-Q115 HydrophobicContact CG-CG 3.92Å; W110-Q115 HydrophobicContact CE3-CG 4.49Å; W110-Q115 VanDerWaalsContact CH2-NE2 3.32Å; W110-Q115 HydrophobicContact CZ3-CG 4.5Å; Q115-W133 HydrophobicContact CB-CB 4.28Å; Q115-W133 HydrophobicContact CB-CD2 3.96Å; Q115-W133 HydrophobicContact CB-CE3 3.69Å; Q115-W133 HydrophobicContact CB-CG 4.22Å; Q115-W133 HydrophobicContact CB-CZ3 4.34Å; Q115-W133 HydrophobicContact CG-CE3 4.36Å; Q115-R135 PolarHBondContact O-N 3.44Å; Q115-G136 PolarHBondContact O-N 3.36Å; Q115-G136 VanDerWaalsContact OE1-CA 3.32Å; Q115-L168 PolarHBondContact NE2-O 3.13Å; Q115-L168 PolarHBondContact OE1-O 3Å
116D92.6Very high90.8Very high48 Ų4825 Ų2526%0.25716%0.157SC..EExtended strand (participates in β ladder)trans-154.8147.4-178-149.992.3000110.1T109 A111 Y118 L134 R135T109-D116 CarbonylContact C-O 3.13Å; T109-D116 VanDerWaalsContact C-O 3.3Å; T109-D116 WeakPolarHBondContact CB-O 3.23Å; T109-D116 PolarHBondContact O-N 2.86Å; T109-D116 PolarHBondContact OG1-O 2.82Å; A111-D116 HydrophobicContact CB-CB 3.71Å; D116-Y118 PolarHBondContact O-N 2.88Å; D116-L134 WeakPolarHBondContact OD1-CA 3.49Å; D116-R135 PolarHBondContact OD1-N 3.26Å
117G96.7Very high90.5Very high25 Ų2525.1 Ų25.126%0.25816%0.157SC..EExtended strand (participates in β ladder)trans87.3-102.9-175.200000112.9Q132 W133G117-Q132 WeakPolarHBondContact O-CA 3.24Å; G117-W133 PolarHBondContact N-O 3.32Å; G117-W133 PolarHBondContact O-N 2.89Å
118Y98.2Very high90.3Very high50 Ų5026.2 Ų26.220%0.19616%0.164CC..EExtended strand (participates in β ladder)trans-140.7140.1-173.5-67.7-99.6000111.7T109 D116 G131 Q132 K379 I382T109-Y118 PolarHBondContact N-O 3.45Å; T109-Y118 PolarHBondContact OG1-N 3.33Å; T109-Y118 PolarHBondContact OG1-O 2.89Å; T109-Y118 VanDerWaalsContact OG1-O 3.06Å; D116-Y118 PolarHBondContact O-N 2.88Å; Y118-G131 WeakPolarHBondContact CA-O 3.3Å; Y118-Q132 HydrophobicContact CD1-CG 3.93Å; Y118-Q132 HydrophobicContact CE1-CG 3.59Å; Y118-K379 HydrophobicContact CE1-CB 4.27Å; Y118-K379 HydrophobicContact CE1-CD 3.63Å; Y118-K379 WeakPolarHBondContact OH-CD 3.48Å; Y118-K379 PolarHBondContact OH-NZ 3.45Å; Y118-K379 VanDerWaalsContact OH-NZ 3.15Å; Y118-I382 HydrophobicContact CD1-CB 3.97Å; Y118-I382 HydrophobicContact CD1-CG2 3.53Å; Y118-I382 HydrophobicContact CD2-CG2 4.18Å; Y118-I382 HydrophobicContact CE1-CB 3.86Å; Y118-I382 HydrophobicContact CE1-CD1 4.4Å; Y118-I382 HydrophobicContact CE1-CG2 3.53Å; Y118-I382 HydrophobicContact CE2-CG2 4.21Å; Y118-I382 HydrophobicContact CG-CG2 3.87Å
119G96.8Very high90.2Very high0 Ų026.2 Ų26.20%016%0.164CC..EExtended strand (participates in β ladder)trans-179.7170.9177.200000113.9T107 G131 W133T107-G119 WeakPolarHBondContact O-CA 3.34Å; G119-G131 PolarHBondContact N-O 3.08Å; G119-G131 VanDerWaalsContact N-O 3.08Å; G119-G131 PolarHBondContact O-N 3.09Å; G119-W133 PolarHBondContact O-NE1 2.82Å; G119-W133 VanDerWaalsContact O-NE1 3.09Å
120T97.1Very high90.3Very high15 Ų1527.5 Ų27.59%0.09217%0.169CC..EExtended strand (participates in β ladder)trans-113.7138.3-178.459.40000110.5Y106 T107 Y129 Q130 A383 L384 T387Y106-T120 WeakPolarHBondContact CA-O 3.12Å; Y106-T120 WeakPolarHBondContact CD2-O 3.42Å; T107-T120 PolarHBondContact N-O 3.14Å; T107-T120 PolarHBondContact O-N 3.3Å; T107-T120 PolarHBondContact O-OG1 2.83Å; T120-Y129 CarbonylContact C-O 3.53Å; T120-Y129 WeakPolarHBondContact CA-O 3.31Å; T120-Q130 HydrophobicContact CG2-CB 4.11Å; T120-Q130 HydrophobicContact CG2-CG 3.65Å; T120-A383 HydrophobicContact CG2-CB 4.23Å; T120-L384 HydrophobicContact CG2-CD2 4.22Å; T120-T387 WeakPolarHBondContact CG2-OG1 3.32Å; T120-T387 PolarHBondContact OG1-OG1 2.88Å
121E94.7Very high90.5Very high0 Ų027 Ų270%017%0.167CC..EExtended strand (participates in β ladder)trans-127117.9-178.4169.2-179.1-13300108.3R105 Y106 Y123 T128 Y129 W133 L168 R189R105-E121 CarbonylContact O-C 3.53Å; R105-E121 WeakPolarHBondContact O-CA 3.08Å; Y106-E121 HydrophobicContact CD2-CB 4.48Å; E121-Y123 HydrophobicContact CG-CD1 4.02Å; E121-Y123 HydrophobicContact CG-CE1 3.62Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.5Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.4Å; E121-Y123 PolarHBondContact OE2-OH 3.34Å; E121-T128 CarbonylContact O-C 3.34Å; E121-T128 VanDerWaalsContact O-CA 3.24Å; E121-T128 WeakPolarHBondContact O-CA 3.43Å; E121-Y129 PolarHBondContact N-O 3.06Å; E121-Y129 PolarHBondContact O-N 3.31Å; E121-W133 HydrophobicContact CB-CH2 4.29Å; E121-W133 HydrophobicContact CB-CZ2 3.74Å; E121-W133 HydrophobicContact CG-CH2 4.48Å; E121-W133 HydrophobicContact CG-CZ2 4.41Å; E121-W133 VanDerWaalsContact OE2-CH2 3.23Å; E121-W133 WeakPolarHBondContact OE2-CH2 3.49Å; E121-W133 WeakPolarHBondContact OE2-CZ2 3.27Å; E121-L168 HydrophobicContact CB-CD1 3.97Å; E121-L168 HydrophobicContact CG-CD1 3.55Å; E121-L168 HydrophobicContact CG-CG 4.42Å; E121-L168 VanDerWaalsContact OE1-CD1 3.3Å; E121-L168 WeakPolarHBondContact OE1-CD1 3.38Å; E121-R189 IonicContact OE1-CZ 3.14Å; E121-R189 IonicContact OE1-NH1 2.82Å; E121-R189 PolarHBondContact OE1-NH1 3.18Å
122N91.3Very high90.9Very high52 Ų5227.1 Ų27.128%0.27816%0.161SC..EExtended strand (participates in β ladder)trans-91.9128.9162.7-70.44.5000107.7A104 R105A104-N122 WeakPolarHBondContact CA-O 3.45Å; R105-N122 HydrophobicContact CB-CB 4.45Å; R105-N122 PolarHBondContact N-O 2.89Å; R105-N122 PolarHBondContact O-N 2.85Å
123Y86.9Confident91.6Very high6 Ų621.9 Ų21.92%0.02413%0.133CC..  trans-84.4156.7176.3-63.3-61.3000111.3E121 D125 G126 G127 Y129 R138 R144E121-Y123 HydrophobicContact CG-CD1 4.02Å; E121-Y123 HydrophobicContact CG-CE1 3.62Å; E121-Y123 WeakPolarHBondContact OE1-CE1 3.5Å; E121-Y123 WeakPolarHBondContact OE2-CE1 3.4Å; E121-Y123 PolarHBondContact OE2-OH 3.34Å; Y123-D125 WeakPolarHBondContact CB-OD1 3.1Å; Y123-D125 PolarHBondContact O-N 3.44Å; Y123-D125 VanDerWaalsContact O-N 3.15Å; Y123-G126 PolarHBondContact O-N 3.03Å; Y123-G127 VanDerWaalsContact CD2-C 3.46Å; Y123-G127 WeakPolarHBondContact CD2-O 3.29Å; Y123-G127 PolarHBondContact N-O 3.27Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.39Å; Y123-R138 WeakPolarHBondContact OH-CD 3.37Å; Y123-R138 PolarHBondContact OH-NH1 3.37Å; Y123-R144 HydrophobicContact CE2-CG 4.36Å
124A84Confident92.2Very high27 Ų2724.8 Ų24.822%0.22315%0.146CC..THydrogen-bonded Turntrans-59.4-22173.200000114A104A104-A124 HydrophobicContact CB-CB 4.31Å
125D77Confident92.3Very high23 Ų2328.2 Ų28.212%0.12316%0.156CC..THydrogen-bonded Turntrans-82.5-7.9174.875.3-14.7000113.9Y123 G127 A147 V151 Y155Y123-D125 WeakPolarHBondContact CB-OD1 3.1Å; Y123-D125 PolarHBondContact O-N 3.44Å; Y123-D125 VanDerWaalsContact O-N 3.15Å; D125-G127 PolarHBondContact OD1-N 2.96Å; D125-A147 HydrophobicContact CB-CB 3.99Å; D125-A147 WeakPolarHBondContact O-CB 3.39Å; D125-A147 WeakPolarHBondContact OD2-CB 3.39Å; D125-V151 HydrophobicContact CB-CG1 4.44Å; D125-V151 WeakPolarHBondContact O-CG1 3.33Å; D125-Y155 HydrophobicContact CB-CD2 3.72Å; D125-Y155 HydrophobicContact CB-CE2 3.46Å; D125-Y155 VanDerWaalsContact CB-CE2 3.46Å
126G83.7Confident92.2Very high43 Ų4328.2 Ų28.244%0.44316%0.156SC..SBendtrans88.53.9-175.200000115.2Y123Y123-G126 PolarHBondContact O-N 3.03Å
127G88.7Confident92Very high1 Ų128 Ų281%0.0115%0.154CC..  trans-72168.5164.600000112.2Y123 D125 K145Y123-G127 VanDerWaalsContact CD2-C 3.46Å; Y123-G127 WeakPolarHBondContact CD2-O 3.29Å; Y123-G127 PolarHBondContact N-O 3.27Å; D125-G127 PolarHBondContact OD1-N 2.96Å; G127-K145 CarbonylContact C-O 3.47Å; G127-K145 WeakPolarHBondContact CA-O 3.46Å
128T93.7Very high91.9Very high26 Ų2627 Ų2716%0.1614%0.142CC..EExtended strand (participates in β ladder)trans-135.8156.8178.272.60000113.2E121 Q130 R144 K145E121-T128 CarbonylContact O-C 3.34Å; E121-T128 VanDerWaalsContact O-CA 3.24Å; E121-T128 WeakPolarHBondContact O-CA 3.43Å; T128-Q130 VanDerWaalsContact CB-NE2 3.33Å; T128-Q130 PolarHBondContact OG1-NE2 2.94Å; T128-Q130 PolarHBondContact OG1-OE1 2.88Å; T128-R144 CarbonylContact O-C 3.47Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.5Å; T128-R144 WeakPolarHBondContact O-CG 3.49Å; T128-K145 PolarHBondContact N-O 3.49Å; T128-K145 PolarHBondContact O-N 3.01Å
129Y95.6Very high91.7Very high0 Ų027.4 Ų27.40%015%0.146CC..EExtended strand (participates in β ladder)trans-131.5140162.3176.9-100.9000110.7T120 E121 Y123 Q132 W133 R138 V143 R144 W290T120-Y129 CarbonylContact C-O 3.53Å; T120-Y129 WeakPolarHBondContact CA-O 3.31Å; E121-Y129 PolarHBondContact N-O 3.06Å; E121-Y129 PolarHBondContact O-N 3.31Å; Y123-Y129 WeakPolarHBondContact OH-CB 3.39Å; Y129-Q132 PolarHBondContact OH-N 3.42Å; Y129-Q132 PolarHBondContact OH-O 3.48Å; Y129-Q132 VanDerWaalsContact OH-O 3.11Å; Y129-W133 AromaticContact CD1-CE2 3.85Å; Y129-W133 AromaticContact CD1-CZ2 3.69Å; Y129-W133 HydrophobicContact CD1-CZ2 3.69Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CE2 3.89Å; Y129-W133 HydrophobicContact CE1-CZ2 4.14Å; Y129-W133 AromaticContact CE1-NE1 3.64Å; Y129-R138 HydrophobicContact CD1-CG 3.7Å; Y129-R138 HydrophobicContact CD2-CG 4.32Å; Y129-R138 HydrophobicContact CE1-CB 4.01Å; Y129-R138 HydrophobicContact CE1-CG 3.62Å; Y129-R138 HydrophobicContact CE2-CB 4.27Å; Y129-R138 HydrophobicContact CE2-CG 4.26Å; Y129-R138 HydrophobicContact CG-CG 4.05Å; Y129-V143 CarbonylContact C-O 3.54Å; Y129-V143 WeakPolarHBondContact CA-O 3.26Å; Y129-V143 WeakPolarHBondContact CD2-O 3.37Å; Y129-R144 HydrophobicContact CD2-CB 4.09Å; Y129-W290 HydrophobicContact CD2-CZ2 4.48Å; Y129-W290 AromaticContact CE2-CD1 3.94Å; Y129-W290 HydrophobicContact CE2-CD2 4.22Å; Y129-W290 AromaticContact CE2-CE2 3.8Å; Y129-W290 HydrophobicContact CE2-CG 4.31Å; Y129-W290 HydrophobicContact CE2-CZ2 4.33Å; Y129-W290 AromaticContact CE2-NE1 3.58Å
130Q97.8Very high91.8Very high40 Ų4028.3 Ų28.319%0.18716%0.156CC..EExtended strand (participates in β ladder)trans-136.4113.8178-64.887.8-5.900108.5T120 T128 G142 V143 A380T120-Q130 HydrophobicContact CG2-CB 4.11Å; T120-Q130 HydrophobicContact CG2-CG 3.65Å; T128-Q130 VanDerWaalsContact CB-NE2 3.33Å; T128-Q130 PolarHBondContact OG1-NE2 2.94Å; T128-Q130 PolarHBondContact OG1-OE1 2.88Å; Q130-G142 CarbonylContact O-C 3.59Å; Q130-G142 WeakPolarHBondContact O-CA 3.39Å; Q130-V143 PolarHBondContact N-O 2.91Å; Q130-V143 PolarHBondContact O-N 3.39Å; Q130-A380 HydrophobicContact CB-CB 3.75Å; Q130-A380 WeakPolarHBondContact O-CB 3.29Å
131G97.8Very high91.9Very high0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans161.5-146.6-179.300000114.7Y118 G119Y118-G131 WeakPolarHBondContact CA-O 3.3Å; G119-G131 PolarHBondContact N-O 3.08Å; G119-G131 VanDerWaalsContact N-O 3.08Å; G119-G131 PolarHBondContact O-N 3.09Å
132Q98.1Very high92Very high43 Ų4330.7 Ų30.720%0.20116%0.163CC..EExtended strand (participates in β ladder)trans-89.6145.6-172.1-68.5-175.1-91.400114G117 Y118 Y129 H139 Y141 K379G117-Q132 WeakPolarHBondContact O-CA 3.24Å; Y118-Q132 HydrophobicContact CD1-CG 3.93Å; Y118-Q132 HydrophobicContact CE1-CG 3.59Å; Y129-Q132 PolarHBondContact OH-N 3.42Å; Y129-Q132 PolarHBondContact OH-O 3.48Å; Y129-Q132 VanDerWaalsContact OH-O 3.11Å; Q132-H139 CarbonylContact C-O 3.59Å; Q132-H139 VanDerWaalsContact C-O 3.25Å; Q132-H139 WeakPolarHBondContact CB-O 3.34Å; Q132-H139 PolarHBondContact O-N 3.49Å; Q132-H139 VanDerWaalsContact O-O 3.08Å; Q132-Y141 PolarHBondContact N-O 3.34Å; Q132-K379 HydrophobicContact CG-CB 4.27Å; Q132-K379 HydrophobicContact CG-CD 4.34Å; Q132-K379 HydrophobicContact CG-CG 4.41Å
133W95Very high92.3Very high7 Ų729.2 Ų29.23%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-129.3143.7-175.2-73.487.3000111.1Y106 Q115 G117 G119 E121 Y129 R138Y106-W133 HydrophobicContact CD2-CZ2 4.45Å; Y106-W133 HydrophobicContact CE2-CD2 4.15Å; Y106-W133 AromaticContact CE2-CE2 3.72Å; Y106-W133 HydrophobicContact CE2-CG 4.44Å; Y106-W133 HydrophobicContact CE2-CZ2 4.04Å; Y106-W133 AromaticContact CE2-NE1 3.75Å; Q115-W133 HydrophobicContact CB-CB 4.28Å; Q115-W133 HydrophobicContact CB-CD2 3.96Å; Q115-W133 HydrophobicContact CB-CE3 3.69Å; Q115-W133 HydrophobicContact CB-CG 4.22Å; Q115-W133 HydrophobicContact CB-CZ3 4.34Å; Q115-W133 HydrophobicContact CG-CE3 4.36Å; G117-W133 PolarHBondContact N-O 3.32Å; G117-W133 PolarHBondContact O-N 2.89Å; G119-W133 PolarHBondContact O-NE1 2.82Å; G119-W133 VanDerWaalsContact O-NE1 3.09Å; E121-W133 HydrophobicContact CB-CH2 4.29Å; E121-W133 HydrophobicContact CB-CZ2 3.74Å; E121-W133 HydrophobicContact CG-CH2 4.48Å; E121-W133 HydrophobicContact CG-CZ2 4.41Å; E121-W133 VanDerWaalsContact OE2-CH2 3.23Å; E121-W133 WeakPolarHBondContact OE2-CH2 3.49Å; E121-W133 WeakPolarHBondContact OE2-CZ2 3.27Å; Y129-W133 AromaticContact CD1-CE2 3.85Å; Y129-W133 AromaticContact CD1-CZ2 3.69Å; Y129-W133 HydrophobicContact CD1-CZ2 3.69Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CE2 3.89Å; Y129-W133 HydrophobicContact CE1-CZ2 4.14Å; Y129-W133 AromaticContact CE1-NE1 3.64Å; W133-R138 HydrophobicContact CE3-CG 4.48Å; W133-R138 HydrophobicContact CH2-CG 3.71Å; W133-R138 HydrophobicContact CZ2-CG 3.88Å; W133-R138 HydrophobicContact CZ3-CG 4.03Å
134L93.1Very high92.7Very high65 Ų6529 Ų2934%0.3416%0.155SC..EExtended strand (participates in β ladder)trans-145.6121172.9-175.668.1000109.3D116 G136 M137 H139D116-L134 WeakPolarHBondContact OD1-CA 3.49Å; L134-G136 VanDerWaalsContact C-N 3.29Å; L134-G136 PolarHBondContact O-N 3.21Å; L134-M137 PolarHBondContact N-O 3.27Å; L134-M137 PolarHBondContact O-N 2.8Å; L134-H139 HydrophobicContact CB-CB 3.68Å
135R88.9Confident93.2Very high121 Ų12132.4 Ų32.446%0.45717%0.165SC..THydrogen-bonded Turntrans49.643.6176.2-59.7174169.6-172.6-6.7113.9L114 Q115 D116 M137 F680L114-R135 HydrophobicContact CD1-CB 4.49Å; Q115-R135 PolarHBondContact O-N 3.44Å; D116-R135 PolarHBondContact OD1-N 3.26Å; R135-M137 VanDerWaalsContact C-N 3.33Å; R135-M137 PolarHBondContact O-N 3.3Å; R135-F680 VanDerWaalsContact NH2-CD1 3.32Å
136G88.3Confident93.9Very high0 Ų031.5 Ų31.50%016%0.161CC..THydrogen-bonded Turntrans75.214.5178.800000115.8Q115 L134Q115-G136 PolarHBondContact O-N 3.36Å; Q115-G136 VanDerWaalsContact OE1-CA 3.32Å; L134-G136 VanDerWaalsContact C-N 3.29Å; L134-G136 PolarHBondContact O-N 3.21Å
137M89.4Confident94.1Very high45 Ų4529.4 Ų29.422%0.22214%0.14CC..EExtended strand (participates in β ladder)trans-126.4149.8175.5-65.4174.8-74.100111.1L134 R135 H139 N292L134-M137 PolarHBondContact N-O 3.27Å; L134-M137 PolarHBondContact O-N 2.8Å; R135-M137 VanDerWaalsContact C-N 3.33Å; R135-M137 PolarHBondContact O-N 3.3Å; M137-H139 PolarHBondContact O-N 3.14Å; M137-N292 HydrophobicContact SD-CB 3.99Å
138R93.9Very high94.1Very high2 Ų231.8 Ų31.81%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-68.5125.4171.9-58.1168-63.917812109Y123 Y129 W133 W290 N292 D293Y123-R138 WeakPolarHBondContact OH-CD 3.37Å; Y123-R138 PolarHBondContact OH-NH1 3.37Å; Y129-R138 HydrophobicContact CD1-CG 3.7Å; Y129-R138 HydrophobicContact CD2-CG 4.32Å; Y129-R138 HydrophobicContact CE1-CB 4.01Å; Y129-R138 HydrophobicContact CE1-CG 3.62Å; Y129-R138 HydrophobicContact CE2-CB 4.27Å; Y129-R138 HydrophobicContact CE2-CG 4.26Å; Y129-R138 HydrophobicContact CG-CG 4.05Å; W133-R138 HydrophobicContact CE3-CG 4.48Å; W133-R138 HydrophobicContact CH2-CG 3.71Å; W133-R138 HydrophobicContact CZ2-CG 3.88Å; W133-R138 HydrophobicContact CZ3-CG 4.03Å; R138-W290 HydrophobicContact CB-CD2 4.37Å; R138-W290 HydrophobicContact CB-CE3 4.2Å; R138-N292 PolarHBondContact O-N 2.97Å; R138-D293 WeakPolarHBondContact CB-OD1 3.33Å; R138-D293 WeakPolarHBondContact CG-OD1 3.33Å; R138-D293 IonicContact CZ-OD1 3.69Å; R138-D293 PolarHBondContact N-OD1 3.01Å; R138-D293 IonicContact NE-OD1 2.8Å; R138-D293 PolarHBondContact NE-OD1 2.9Å; R138-D293 PolarHBondContact NH2-O 2.99Å; R138-D293 IonicContact NH2-OD1 2.69Å; R138-D293 PolarHBondContact O-N 2.7Å
139H94.6Very high93.6Very high59 Ų5931.6 Ų31.627%0.27315%0.152SC..EExtended strand (participates in β ladder)trans-157.6143.6-170.3-166.3110.1000110.3Q132 L134 M137 W290 N292Q132-H139 CarbonylContact C-O 3.59Å; Q132-H139 VanDerWaalsContact C-O 3.25Å; Q132-H139 WeakPolarHBondContact CB-O 3.34Å; Q132-H139 PolarHBondContact O-N 3.49Å; Q132-H139 VanDerWaalsContact O-O 3.08Å; L134-H139 HydrophobicContact CB-CB 3.68Å; M137-H139 PolarHBondContact O-N 3.14Å; H139-W290 CarbonylContact C-O 3.59Å; H139-W290 WeakPolarHBondContact CA-O 3.41Å; H139-N292 PolarHBondContact ND1-OD1 3.45Å
140G97.8Very high93Very high20 Ų2033.4 Ų33.421%0.20616%0.164CC..EExtended strand (participates in β ladder)trans87.6-138-17300000110E289 W290G140-E289 CarbonylContact O-C 3.38Å; G140-E289 WeakPolarHBondContact O-CA 3.38Å; G140-W290 PolarHBondContact N-O 3.2Å; G140-W290 PolarHBondContact O-N 2.86Å
141Y98.6Very high92.3Very high64 Ų6433.6 Ų33.625%0.25117%0.168SC..EExtended strand (participates in β ladder)trans-106.9147.7177.6-56.8-105.5000111.8Q132 G288 E289 A372 I375Q132-Y141 PolarHBondContact N-O 3.34Å; Y141-G288 WeakPolarHBondContact CA-O 3.43Å; Y141-E289 HydrophobicContact CD1-CG 3.84Å; Y141-E289 HydrophobicContact CE1-CG 3.44Å; Y141-E289 VanDerWaalsContact CE1-CG 3.44Å; Y141-E289 HydrophobicContact CE2-CG 4.47Å; Y141-A372 HydrophobicContact CD1-CB 4.46Å; Y141-A372 HydrophobicContact CE1-CB 3.99Å; Y141-I375 HydrophobicContact CD1-CB 3.98Å; Y141-I375 HydrophobicContact CD1-CG2 3.7Å; Y141-I375 HydrophobicContact CD2-CG2 3.74Å; Y141-I375 HydrophobicContact CE1-CB 4.11Å; Y141-I375 HydrophobicContact CE1-CD1 4.29Å; Y141-I375 HydrophobicContact CE1-CG2 3.93Å; Y141-I375 HydrophobicContact CE2-CG2 4Å; Y141-I375 HydrophobicContact CG-CB 4.36Å; Y141-I375 HydrophobicContact CG-CG2 3.61Å
142G97.8Very high91.1Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-177.8159.6172.900000113.8Q130 G288 W290Q130-G142 CarbonylContact O-C 3.59Å; Q130-G142 WeakPolarHBondContact O-CA 3.39Å; G142-G288 PolarHBondContact N-O 3.14Å; G142-G288 VanDerWaalsContact N-O 3.15Å; G142-W290 PolarHBondContact O-NE1 2.92Å
143V98Very high89.7Confident22 Ų2233 Ų3313%0.13317%0.17CC..EExtended strand (participates in β ladder)trans-94.1136.3177.9-175.50000109.2Y129 Q130 V285 Y286 M287 A376 V377 A380Y129-V143 CarbonylContact C-O 3.54Å; Y129-V143 WeakPolarHBondContact CA-O 3.26Å; Y129-V143 WeakPolarHBondContact CD2-O 3.37Å; Q130-V143 PolarHBondContact N-O 2.91Å; Q130-V143 PolarHBondContact O-N 3.39Å; V143-V285 HydrophobicContact CG1-CG1 4.06Å; V143-Y286 CarbonylContact C-O 3.56Å; V143-Y286 VanDerWaalsContact CA-O 3.26Å; V143-Y286 WeakPolarHBondContact CA-O 3.38Å; V143-M287 HydrophobicContact CG1-CG 4.04Å; V143-M287 HydrophobicContact CG2-CG 4.05Å; V143-A376 HydrophobicContact CG2-CB 4.38Å; V143-V377 HydrophobicContact CG2-CG2 4.26Å; V143-A380 HydrophobicContact CB-CB 4.28Å; V143-A380 HydrophobicContact CG2-CB 3.87Å
144R95.8Very high88.1Confident0 Ų040 Ų400%020%0.201CC..EExtended strand (participates in β ladder)trans-124134.9169.3-167.1-158.775.1110.9-5.4109.7Y123 T128 Y129 G191 E284 V285 Y286 W290Y123-R144 HydrophobicContact CE2-CG 4.36Å; T128-R144 CarbonylContact O-C 3.47Å; T128-R144 VanDerWaalsContact O-CA 3.3Å; T128-R144 WeakPolarHBondContact O-CA 3.5Å; T128-R144 WeakPolarHBondContact O-CG 3.49Å; Y129-R144 HydrophobicContact CD2-CB 4.09Å; R144-G191 PolarHBondContact NH2-O 3.22Å; R144-G191 VanDerWaalsContact NH2-O 3.16Å; R144-E284 IonicContact CZ-OE1 3.62Å; R144-E284 IonicContact NH2-OE1 3.72Å; R144-E284 PolarHBondContact NH2-OE1 2.56Å; R144-V285 CarbonylContact O-C 3.55Å; R144-V285 VanDerWaalsContact O-CA 3.27Å; R144-V285 WeakPolarHBondContact O-CA 3.4Å; R144-Y286 PolarHBondContact N-O 3.42Å; R144-Y286 PolarHBondContact O-N 2.98Å; R144-W290 HydrophobicContact CB-CH2 4.28Å; R144-W290 HydrophobicContact CB-CZ2 3.76Å
145K94.2Very high86.3Confident99 Ų9943.7 Ų43.743%0.4321%0.212SC..EExtended strand (participates in β ladder)trans-111.6135.7166.1-173.7176.6179.1-1770109.3G127 T128 N283 E284 V285G127-K145 CarbonylContact C-O 3.47Å; G127-K145 WeakPolarHBondContact CA-O 3.46Å; T128-K145 PolarHBondContact N-O 3.49Å; T128-K145 PolarHBondContact O-N 3.01Å; K145-N283 WeakPolarHBondContact CE-OD1 3.34Å; K145-E284 CarbonylContact C-O 3.56Å; K145-E284 WeakPolarHBondContact CA-O 3.39Å; K145-V285 HydrophobicContact CB-CG2 4.49Å; K145-V285 HydrophobicContact CG-CG2 4.19Å
146S90.5Very high84.5Confident4 Ų443.7 Ų43.73%0.02821%0.212CC..PPolyproline II helixtrans-76.4159.7172.174.40000112.1F192 N283 E284S146-F192 WeakPolarHBondContact OG-CE2 3.47Å; S146-F192 VanDerWaalsContact OG-CZ 3.27Å; S146-F192 WeakPolarHBondContact OG-CZ 3.03Å; S146-N283 WeakPolarHBondContact OG-CA 3.16Å; S146-E284 PolarHBondContact N-O 3.38Å; S146-E284 PolarHBondContact OG-N 3.13Å
147A87.8Confident82.1Confident0 Ų048.9 Ų48.90%025%0.248CC..PPolyproline II helixtrans-57.1162.7153.600000111.3D125 V151 A152 F192D125-A147 HydrophobicContact CB-CB 3.99Å; D125-A147 WeakPolarHBondContact O-CB 3.39Å; D125-A147 WeakPolarHBondContact OD2-CB 3.39Å; A147-V151 HydrophobicContact CB-CB 4.27Å; A147-V151 HydrophobicContact CB-CG1 4.06Å; A147-A152 HydrophobicContact CB-CB 4.39Å; A147-F192 WeakPolarHBondContact O-CE2 3.4Å
148P88.6Confident79.6Confident50 Ų5057.3 Ų57.333%0.32528%0.277SS..PPolyproline II helixtrans-54.6149170.9-25.935.7000112.3S150 V151 A152 A282P148-S150 VanDerWaalsContact C-N 3.32Å; P148-S150 PolarHBondContact O-N 2.95Å; P148-V151 HydrophobicContact CB-CG2 4.27Å; P148-V151 HydrophobicContact CG-CG2 4.44Å; P148-V151 WeakPolarHBondContact O-CA 3.1Å; P148-V151 WeakPolarHBondContact O-CB 3.03Å; P148-V151 PolarHBondContact O-N 2.93Å; P148-A152 PolarHBondContact O-N 3.15Å; P148-A282 CarbonylContact C-O 3.36Å; P148-A282 WeakPolarHBondContact CA-O 3.4Å
149F84.4Confident77Confident23 Ų2362.1 Ų62.110%0.10131%0.311CS..Hα-helixtrans-59.8-40.5-175.3178.5-106.7000113V151 A152 A153 F192 L275 I278 D279 P280 A282F149-V151 PolarHBondContact O-N 2.86Å; F149-V151 VanDerWaalsContact O-N 3.16Å; F149-A152 PolarHBondContact O-N 3.16Å; F149-A153 HydrophobicContact CE1-CB 4.34Å; F149-A153 HydrophobicContact CE2-CB 4.17Å; F149-A153 HydrophobicContact CZ-CB 4.06Å; F149-A153 WeakPolarHBondContact O-CB 3.15Å; F149-A153 PolarHBondContact O-N 3.02Å; F149-F192 HydrophobicContact CB-CE1 4.2Å; F149-F192 HydrophobicContact CB-CE2 4.06Å; F149-F192 HydrophobicContact CB-CZ 3.69Å; F149-F192 HydrophobicContact CD2-CD1 4.29Å; F149-F192 HydrophobicContact CD2-CD2 4.09Å; F149-F192 HydrophobicContact CD2-CE1 4.3Å; F149-F192 HydrophobicContact CD2-CE2 4.12Å; F149-F192 HydrophobicContact CD2-CG 4.18Å; F149-F192 HydrophobicContact CD2-CZ 4.21Å; F149-F192 HydrophobicContact CG-CZ 4.47Å; F149-L275 HydrophobicContact CZ-CD1 4.27Å; F149-L275 HydrophobicContact CZ-CD2 4Å; F149-I278 HydrophobicContact CB-CG2 3.81Å; F149-I278 HydrophobicContact CD1-CB 3.73Å; F149-I278 HydrophobicContact CD1-CG2 3.7Å; F149-I278 HydrophobicContact CD2-CB 4.38Å; F149-I278 HydrophobicContact CD2-CD1 4.14Å; F149-I278 HydrophobicContact CD2-CG2 3.92Å; F149-I278 HydrophobicContact CE1-CB 3.84Å; F149-I278 HydrophobicContact CE1-CG1 4.4Å; F149-I278 HydrophobicContact CE1-CG2 4.27Å; F149-I278 HydrophobicContact CE2-CB 4.48Å; F149-I278 HydrophobicContact CE2-CD1 3.85Å; F149-I278 HydrophobicContact CE2-CG1 4.49Å; F149-I278 HydrophobicContact CE2-CG2 4.47Å; F149-I278 HydrophobicContact CG-CB 4.03Å; F149-I278 HydrophobicContact CG-CG2 3.51Å; F149-I278 HydrophobicContact CZ-CB 4.23Å; F149-I278 HydrophobicContact CZ-CD1 4.11Å; F149-I278 HydrophobicContact CZ-CG1 4.32Å; F149-D279 WeakPolarHBondContact CB-O 3.48Å; F149-P280 PolarHBondContact N-O 3.3Å; F149-A282 HydrophobicContact CB-CB 4.04Å; F149-A282 PolarHBondContact N-O 3.28Å
150S82.9Confident74.3Confident37 Ų3767.7 Ų67.726%0.25934%0.337SS..Hα-helixtrans-59.1-23.2174.157.80000114.4P148 K154 P280P148-S150 VanDerWaalsContact C-N 3.32Å; P148-S150 PolarHBondContact O-N 2.95Å; S150-K154 WeakPolarHBondContact O-CD 3.44Å; S150-K154 WeakPolarHBondContact O-CE 3.4Å; S150-K154 VanDerWaalsContact O-CG 3.31Å; S150-K154 WeakPolarHBondContact O-CG 3.24Å; S150-P280 WeakPolarHBondContact CB-O 3.34Å; S150-P280 PolarHBondContact N-O 3.38Å; S150-P280 PolarHBondContact OG-O 3.06Å
151V81.7Confident71.1Confident45 Ų4569.8 Ų69.827%0.27335%0.352SS..Hα-helixtrans-91-55.5176.7177.10000109D125 A147 P148 F149 A153 K154 Y155D125-V151 HydrophobicContact CB-CG1 4.44Å; D125-V151 WeakPolarHBondContact O-CG1 3.33Å; A147-V151 HydrophobicContact CB-CB 4.27Å; A147-V151 HydrophobicContact CB-CG1 4.06Å; P148-V151 HydrophobicContact CB-CG2 4.27Å; P148-V151 HydrophobicContact CG-CG2 4.44Å; P148-V151 WeakPolarHBondContact O-CA 3.1Å; P148-V151 WeakPolarHBondContact O-CB 3.03Å; P148-V151 PolarHBondContact O-N 2.93Å; F149-V151 PolarHBondContact O-N 2.86Å; F149-V151 VanDerWaalsContact O-N 3.16Å; V151-A153 VanDerWaalsContact C-N 3.25Å; V151-A153 PolarHBondContact O-N 2.97Å; V151-K154 PolarHBondContact O-N 3.37Å; V151-K154 VanDerWaalsContact O-N 3.13Å; V151-Y155 HydrophobicContact CG1-CD2 4.25Å; V151-Y155 HydrophobicContact CG1-CE2 3.63Å; V151-Y155 WeakPolarHBondContact O-CD2 3.45Å
152A74.3Confident67.9Low2 Ų273.1 Ų73.12%0.01737%0.369CS..Hα-helixtrans-62.9-24.3-17900000114.5A147 P148 F149 F192A147-A152 HydrophobicContact CB-CB 4.39Å; P148-A152 PolarHBondContact O-N 3.15Å; F149-A152 PolarHBondContact O-N 3.16Å; A152-F192 HydrophobicContact CB-CD2 3.71Å; A152-F192 HydrophobicContact CB-CE2 3.58Å
153A68.7Low64.8Low28 Ų2876.1 Ų76.123%0.23139%0.394CS..THydrogen-bonded Turntrans-74.4-39.9174.600000112.1F149 V151 Y155 R156F149-A153 HydrophobicContact CE1-CB 4.34Å; F149-A153 HydrophobicContact CE2-CB 4.17Å; F149-A153 HydrophobicContact CZ-CB 4.06Å; F149-A153 WeakPolarHBondContact O-CB 3.15Å; F149-A153 PolarHBondContact O-N 3.02Å; V151-A153 VanDerWaalsContact C-N 3.25Å; V151-A153 PolarHBondContact O-N 2.97Å; A153-Y155 VanDerWaalsContact C-N 3.25Å; A153-Y155 PolarHBondContact O-N 2.95Å; A153-R156 WeakPolarHBondContact O-CB 3.3Å; A153-R156 PolarHBondContact O-N 2.96Å
154K61Low61.6Low155 Ų15576.2 Ų76.267%0.67440%0.396SS*.G310 helixtrans-61-35.6179.6-69.5170.9-175.3173.40111.9S150 V151 R156S150-K154 WeakPolarHBondContact O-CD 3.44Å; S150-K154 WeakPolarHBondContact O-CE 3.4Å; S150-K154 VanDerWaalsContact O-CG 3.31Å; S150-K154 WeakPolarHBondContact O-CG 3.24Å; V151-K154 PolarHBondContact O-N 3.37Å; V151-K154 VanDerWaalsContact O-N 3.13Å; K154-R156 PolarHBondContact O-N 2.98Å
155Y54.7Low58.6Low142 Ų14280.7 Ų80.756%0.55742%0.419SS*.G310 helixtrans-71-1.8176.1-66.8-66.5000115.1D125 V151 A153D125-Y155 HydrophobicContact CB-CD2 3.72Å; D125-Y155 HydrophobicContact CB-CE2 3.46Å; D125-Y155 VanDerWaalsContact CB-CE2 3.46Å; V151-Y155 HydrophobicContact CG1-CD2 4.25Å; V151-Y155 HydrophobicContact CG1-CE2 3.63Å; V151-Y155 WeakPolarHBondContact O-CD2 3.45Å; A153-Y155 VanDerWaalsContact C-N 3.25Å; A153-Y155 PolarHBondContact O-N 2.95Å
156R50.8Low56.2Low121 Ų12177.1 Ų77.146%0.45741%0.406SS..G310 helixtrans-91.3-27179.1-65179.7175.7-153.7-14.5114.7A153 K154 F192A153-R156 WeakPolarHBondContact O-CB 3.3Å; A153-R156 PolarHBondContact O-N 2.96Å; K154-R156 PolarHBondContact O-N 2.98Å; R156-F192 VanDerWaalsContact NH2-N 3.13Å; R156-F192 PolarHBondContact NH2-O 2.97Å
157S37.4Very low53.5Low108 Ų10878.7 Ų78.776%0.75542%0.417SS*.SBendtrans-101.43.4-160.3-570000115.6
158R37.4Very low51.6Low223 Ų22378.7 Ų78.784%0.84242%0.417SS*.SBendtrans-119.388.6-176.8-59.2-170.591.6168.25.5112.4
159S39.8Very low49.3Very low102 Ų10280.5 Ų80.571%0.71342%0.417SS*.THydrogen-bonded Turntrans42.691.8152.5-173.60000118.1A161S159-A161 PolarHBondContact O-N 3.09Å
160H37.1Very low47.4Very low177 Ų17779.4 Ų79.482%0.81941%0.413SS*.THydrogen-bonded Turntrans50.8-2157-68.3-59.2000120.4H162H160-H162 PolarHBondContact O-N 3.49Å
161A30.8Very low45.3Very low64 Ų6481 Ų8153%0.52942%0.418SS..SBendtrans-95.4101.7-175.400000112S159S159-A161 PolarHBondContact O-N 3.09Å
162H31.8Very low43.3Very low133 Ų13384.7 Ų84.762%0.61643%0.432SS*.  trans48.686.7161.3-49.6-83.3000116.6H160 S164 L165H160-H162 PolarHBondContact O-N 3.49Å; H162-S164 CarbonylContact O-C 3.57Å; H162-S164 WeakPolarHBondContact O-CA 3.34Å; H162-S164 PolarHBondContact O-N 3.06Å; H162-L165 HydrophobicContact CB-CD2 3.84Å; H162-L165 HydrophobicContact CB-CG 4.06Å; H162-L165 PolarHBondContact O-N 2.9Å
163A32.7Very low41.6Very low63 Ų6389 Ų8952%0.52146%0.455SS..THydrogen-bonded Turntrans-65.22.2169.200000115G190A163-G190 PolarHBondContact O-N 2.86Å; A163-G190 VanDerWaalsContact O-N 3.09Å
164S32Very low40Very low24 Ų2490.2 Ų90.217%0.16847%0.465CS..THydrogen-bonded Turntrans-134.5103.8135.757.30000108.9H162 T166 S167 R189H162-S164 CarbonylContact O-C 3.57Å; H162-S164 WeakPolarHBondContact O-CA 3.34Å; H162-S164 PolarHBondContact O-N 3.06Å; S164-T166 CarbonylContact O-C 3.55Å; S164-T166 PolarHBondContact O-N 3.03Å; S164-S167 PolarHBondContact O-N 2.9Å; S164-S167 PolarHBondContact OG-N 2.97Å; S164-R189 WeakPolarHBondContact OG-CD 3.17Å
165L32.8Very low38.6Very low94 Ų9489.2 Ų89.249%0.49246%0.463SS..SBendtrans-56.3126.1151-76.2170.6000105.5H162H162-L165 HydrophobicContact CB-CD2 3.84Å; H162-L165 HydrophobicContact CB-CG 4.06Å; H162-L165 PolarHBondContact O-N 2.9Å
166T42.6Very low37.4Very low25 Ų2592.1 Ų92.115%0.15348%0.482CS..SBendtrans63.167.9-155.9810000115.2W80 A104 S164 L168W80-T166 HydrophobicContact CH2-CG2 3.42Å; W80-T166 VanDerWaalsContact CH2-CG2 3.42Å; W80-T166 HydrophobicContact CZ2-CG2 3.46Å; W80-T166 VanDerWaalsContact CZ2-CG2 3.46Å; W80-T166 HydrophobicContact CZ3-CG2 4.47Å; A104-T166 HydrophobicContact CB-CG2 3.35Å; A104-T166 WeakPolarHBondContact CB-OG1 3.33Å; S164-T166 CarbonylContact O-C 3.55Å; S164-T166 PolarHBondContact O-N 3.03Å; T166-L168 PolarHBondContact O-N 2.76Å
167S34.8Very low36.6Very low36 Ų3695.4 Ų95.425%0.25250%0.502SS..  trans-55.9118.4140.2167.50000107.6S164 R169S164-S167 PolarHBondContact O-N 2.9Å; S164-S167 PolarHBondContact OG-N 2.97Å; S167-R169 PolarHBondContact O-N 3.4Å
168L48.1Very low36.3Very low1 Ų196.5 Ų96.51%0.00550%0.5CS..  trans-73.233.8179.8-83.9-176.8000113.7W80 R97 Y106 Q115 E121 T166W80-L168 HydrophobicContact CH2-CD2 3.73Å; W80-L168 HydrophobicContact CZ2-CD2 4.5Å; W80-L168 HydrophobicContact CZ3-CD2 4.18Å; R97-L168 PolarHBondContact NH2-O 3.4Å; Y106-L168 HydrophobicContact CD2-CD1 3.62Å; Y106-L168 HydrophobicContact CG-CD1 3.98Å; Q115-L168 PolarHBondContact NE2-O 3.13Å; Q115-L168 PolarHBondContact OE1-O 3Å; E121-L168 HydrophobicContact CB-CD1 3.97Å; E121-L168 HydrophobicContact CG-CD1 3.55Å; E121-L168 HydrophobicContact CG-CG 4.42Å; E121-L168 VanDerWaalsContact OE1-CD1 3.3Å; E121-L168 WeakPolarHBondContact OE1-CD1 3.38Å; T166-L168 PolarHBondContact O-N 2.76Å
169R40.3Very low36.3Very low87 Ų8791.1 Ų91.133%0.32849%0.488SS..  trans-77.2151.8169.8-65.7178.5-173.9170.62.1110.3R97 S167 Q172R97-R169 PolarHBondContact NH1-O 3Å; R97-R169 PolarHBondContact NH2-O 2.87Å; S167-R169 PolarHBondContact O-N 3.4Å; R169-Q172 HydrophobicContact CB-CB 4.46Å
170S43Very low35.9Very low1 Ų193.8 Ų93.81%0.00749%0.486CS..SBendtrans-107.9-16.8-174.732.50000113.3R77 G113R77-S170 PolarHBondContact NH1-O 2.86Å; R77-S170 PolarHBondContact NH2-O 2.79Å; G113-S170 VanDerWaalsContact O-CB 3.29Å; G113-S170 WeakPolarHBondContact O-CB 3.26Å; G113-S170 PolarHBondContact O-OG 2.76Å
171N39.4Very low35.8Very low69 Ų6991.3 Ų91.337%0.36948%0.479SS..SBendtrans-132.540.8-170.9-62.223.5000111.4
172Q40Very low36.1Very low123 Ų12393.6 Ų93.658%0.57548%0.477SS*.  trans-139.77.9175-70.7-156.4-61.200114.6R169R169-Q172 HydrophobicContact CB-CB 4.46Å
173D38.4Very low36.2Very low93 Ų9397.2 Ų97.250%0.49749%0.485SS..SBendtrans-102.640.4-175.3-60.210.1000110.5W80W80-D173 PolarHBondContact NE1-OD2 2.84Å
174A34.4Very low36.3Very low54 Ų54101.2 Ų101.245%0.44650%0.498SS..SBendtrans-150.40.9-170.700000116.7M670A174-M670 HydrophobicContact CB-CE 4.24Å; A174-M670 WeakPolarHBondContact O-CE 3.35Å
175E33.3Very low36.4Very low133 Ų133106.2 Ų106.262%0.62152%0.519SS*.  trans-130.393.7178.9-71.9170.7-160.500108.5E177 M670E175-E177 PolarHBondContact O-N 3.05Å; E175-M670 HydrophobicContact CG-CE 4.08Å
176E29.5Very low36.4Very low203 Ų203107.3 Ų107.395%0.94953%0.525SS*.  trans-93.564.2173.6-69.5-168155.100110.7
177E34.1Very low36.4Very low191 Ų191111.3 Ų111.389%0.89354%0.542SS*.  trans-126.5164.5175.5-67.8-160.7155.100113.5E175E175-E177 PolarHBondContact O-N 3.05Å
178D29.6Very low36.8Very low131 Ų131111.4 Ų111.470%0.70154%0.54SS*.  trans-71.2120.6-159.7-123.9-40.7000114.6K180D178-K180 WeakPolarHBondContact OD1-CE 3.46Å; D178-K180 WeakPolarHBondContact OD1-CG 3.34Å; D178-K180 IonicContact OD1-NZ 3.8Å; D178-K180 PolarHBondContact OD1-NZ 2.81Å; D178-K180 IonicContact OD2-NZ 2.78Å; D178-K180 PolarHBondContact OD2-NZ 2.92Å
179D37.3Very low37Very low110 Ų110112 Ų11259%0.58854%0.542SS*.  trans-144.985170.3-173.14.3000111.5D181 K182D179-D181 PolarHBondContact O-N 2.93Å; D179-K182 IonicContact OD1-NZ 3.69Å; D179-K182 PolarHBondContact OD1-NZ 3.15Å; D179-K182 IonicContact OD2-NZ 2.75Å; D179-K182 PolarHBondContact OD2-NZ 2.86Å
180K32.8Very low37.4Very low157 Ų157108.9 Ų108.968%0.68354%0.537SS*.  trans-74.712.3-162.9-69.1-176.4166.478.30116.4D178D178-K180 WeakPolarHBondContact OD1-CE 3.46Å; D178-K180 WeakPolarHBondContact OD1-CG 3.34Å; D178-K180 IonicContact OD1-NZ 3.8Å; D178-K180 PolarHBondContact OD1-NZ 2.81Å; D178-K180 IonicContact OD2-NZ 2.78Å; D178-K180 PolarHBondContact OD2-NZ 2.92Å
181D33.8Very low38.4Very low125 Ų125109.4 Ų109.467%0.66854%0.543SS*.  trans-119.539.5-156.1-153.426.9000116.8D179D179-D181 PolarHBondContact O-N 2.93Å
182K38.4Very low40Very low113 Ų113107 Ų10749%0.49153%0.529SS..  trans-137.746.7-178-60.7180-168.160.80115.1D179 N184D179-K182 IonicContact OD1-NZ 3.69Å; D179-K182 PolarHBondContact OD1-NZ 3.15Å; D179-K182 IonicContact OD2-NZ 2.75Å; D179-K182 PolarHBondContact OD2-NZ 2.86Å; K182-N184 PolarHBondContact O-N 3.41Å
183R33.4Very low41.7Very low208 Ų208102.2 Ų102.279%0.78551%0.508SS*.  trans-67.244.5177.8-71.8179.8-92.3171.7-4.7115
184N35.3Very low43.7Very low147 Ų14798.2 Ų98.279%0.78649%0.487SS*.  trans-161.832.5-172.6-118.9-62.2000115.6K182K182-N184 PolarHBondContact O-N 3.41Å
185Q33.7Very low45.7Very low130 Ų130104.3 Ų104.361%0.60750%0.498SS*.  trans-107.9-0.5-173.2-68.3-158.42.300116.6E187Q185-E187 VanDerWaalsContact C-N 3.31Å; Q185-E187 PolarHBondContact O-N 3.41Å
186D32.6Very low47.5Very low117 Ų11798.2 Ų98.263%0.62647%0.471SS*.THydrogen-bonded Turntrans-77.621.1-156.6-51.8-78.6000118.3
187E42.5Very low49.2Very low108 Ų10897.6 Ų97.651%0.50546%0.46SS..THydrogen-bonded Turntrans-117.39.3-178.4-73.2-170.7141.100115Q185 K317Q185-E187 VanDerWaalsContact C-N 3.31Å; Q185-E187 PolarHBondContact O-N 3.41Å; E187-K317 VanDerWaalsContact OE1-CE 3.26Å; E187-K317 WeakPolarHBondContact OE1-CE 3.34Å; E187-K317 IonicContact OE1-NZ 3.15Å; E187-K317 PolarHBondContact OE1-NZ 2.98Å; E187-K317 WeakPolarHBondContact OE2-CE 3.03Å; E187-K317 IonicContact OE2-NZ 3.67Å; E187-K317 PolarHBondContact OE2-NZ 3.3Å
188N43.7Very low50.5Low38 Ų3889.4 Ų89.420%0.20342%0.423CS..SBendtrans-122.234.9-141.1-122.999.2000120.8K294N188-K294 WeakPolarHBondContact OD1-CE 3.42Å; N188-K294 PolarHBondContact OD1-NZ 3.38Å
189R50.5Low51.5Low13 Ų1390 Ų905%0.04942%0.422CS..SBendtrans-162.6-56.3146-106.1157.1-174.6-119.4-0.2114.7E121 S164 G191 D293E121-R189 IonicContact OE1-CZ 3.14Å; E121-R189 IonicContact OE1-NH1 2.82Å; E121-R189 PolarHBondContact OE1-NH1 3.18Å; S164-R189 WeakPolarHBondContact OG-CD 3.17Å; R189-G191 VanDerWaalsContact C-N 3.3Å; R189-G191 PolarHBondContact O-N 2.88Å; R189-G191 VanDerWaalsContact O-N 3.13Å; R189-D293 IonicContact CZ-OD2 3.91Å; R189-D293 VanDerWaalsContact CZ-OD2 3.3Å; R189-D293 IonicContact NE-OD1 2.67Å; R189-D293 IonicContact NE-OD2 2.7Å; R189-D293 PolarHBondContact NE-OD2 3.35Å; R189-D293 IonicContact NH2-OD1 3.68Å; R189-D293 PolarHBondContact NH2-OD1 2.88Å; R189-D293 IonicContact NH2-OD2 2.73Å; R189-D293 PolarHBondContact NH2-OD2 2.87Å
190G50.3Low52.2Low22 Ų2288.9 Ų88.923%0.22742%0.421CS..SBendtrans-7821.7-172.900000118A163A163-G190 PolarHBondContact O-N 2.86Å; A163-G190 VanDerWaalsContact O-N 3.09Å
191G62.5Low52.9Low13 Ų1386.7 Ų86.713%0.13442%0.423CS..  trans-92.5124.2-166.700000116.5R144 R189 V193 R295R144-G191 PolarHBondContact NH2-O 3.22Å; R144-G191 VanDerWaalsContact NH2-O 3.16Å; R189-G191 VanDerWaalsContact C-N 3.3Å; R189-G191 PolarHBondContact O-N 2.88Å; R189-G191 VanDerWaalsContact O-N 3.13Å; G191-V193 PolarHBondContact O-N 2.96Å; G191-R295 PolarHBondContact O-NH2 3.48Å
192F73.1Confident53.4Low19 Ų1985.6 Ų85.68%0.08343%0.431CS..  trans-56.7120.3141.8-79.2-105.9000109S146 A147 F149 A152 R156 A282 E284S146-F192 WeakPolarHBondContact OG-CE2 3.47Å; S146-F192 VanDerWaalsContact OG-CZ 3.27Å; S146-F192 WeakPolarHBondContact OG-CZ 3.03Å; A147-F192 WeakPolarHBondContact O-CE2 3.4Å; F149-F192 HydrophobicContact CB-CE1 4.2Å; F149-F192 HydrophobicContact CB-CE2 4.06Å; F149-F192 HydrophobicContact CB-CZ 3.69Å; F149-F192 HydrophobicContact CD2-CD1 4.29Å; F149-F192 HydrophobicContact CD2-CD2 4.09Å; F149-F192 HydrophobicContact CD2-CE1 4.3Å; F149-F192 HydrophobicContact CD2-CE2 4.12Å; F149-F192 HydrophobicContact CD2-CG 4.18Å; F149-F192 HydrophobicContact CD2-CZ 4.21Å; F149-F192 HydrophobicContact CG-CZ 4.47Å; A152-F192 HydrophobicContact CB-CD2 3.71Å; A152-F192 HydrophobicContact CB-CE2 3.58Å; R156-F192 VanDerWaalsContact NH2-N 3.13Å; R156-F192 PolarHBondContact NH2-O 2.97Å; F192-A282 HydrophobicContact CE1-CB 4.44Å; F192-A282 WeakPolarHBondContact CZ-O 3.46Å; F192-E284 HydrophobicContact CD1-CB 3.91Å; F192-E284 HydrophobicContact CE1-CB 3.98Å
193V76.5Confident53.5Low22 Ų2291 Ų9113%0.13345%0.449CS..  trans-116.7-31-174.7157.60000111G191 R195 E284 W313 N316G191-V193 PolarHBondContact O-N 2.96Å; V193-R195 PolarHBondContact O-N 2.87Å; V193-E284 PolarHBondContact N-OE2 3.44Å; V193-W313 HydrophobicContact CG1-CH2 4.19Å; V193-W313 HydrophobicContact CG1-CZ3 3.67Å; V193-N316 WeakPolarHBondContact CG1-O 3.49Å; V193-N316 HydrophobicContact CG2-CB 4.3Å
194L79.6Confident53.7Low9 Ų992.6 Ų92.65%0.04745%0.454CS..  trans-74.685-176.6-176.353.5000112.1E284 C301 L307L194-E284 HydrophobicContact CB-CG 4.4Å; L194-E284 PolarHBondContact N-OE2 2.82Å; L194-C301 HydrophobicContact CD2-CB 4.04Å; L194-C301 WeakPolarHBondContact CD2-O 3.28Å; L194-L307 HydrophobicContact CD1-CD2 4.33Å; L194-L307 HydrophobicContact CD1-CG 4.43Å; L194-L307 HydrophobicContact CD2-CD2 4.47Å; L194-L307 HydrophobicContact CD2-CG 4.22Å; L194-L307 VanDerWaalsContact CD2-O 3.22Å; L194-L307 WeakPolarHBondContact CD2-O 3.4Å; L194-L307 HydrophobicContact CG-CD2 3.79Å; L194-L307 HydrophobicContact CG-CG 4.01Å; L194-L307 VanDerWaalsContact O-CD2 3.3Å; L194-L307 WeakPolarHBondContact O-CD2 3.32Å
195R77.5Confident53.7Low182 Ų18294.6 Ų94.669%0.68745%0.451SS*.  trans-79.5147.4168.6-57.9-170.1-172-156.43.3111.1V193 K318V193-R195 PolarHBondContact O-N 2.87Å; R195-K318 PolarHBondContact O-NZ 3.1Å
196A71.6Confident54Low5 Ų592.4 Ų92.44%0.04145%0.45CS..SBendtrans-69.8-75.6176.500000111.7E276 L307 F326A196-E276 WeakPolarHBondContact CB-OE1 3.3Å; A196-E276 WeakPolarHBondContact CB-OE2 3.41Å; A196-L307 HydrophobicContact CB-CD1 4.14Å; A196-L307 HydrophobicContact CB-CD2 3.96Å; A196-F326 HydrophobicContact CB-CD1 4.1Å; A196-F326 HydrophobicContact CB-CE1 3.93Å
197R64.3Low54.4Low189 Ų18995.3 Ų95.371%0.71347%0.465SS*.  trans-69.7137.4-170.9-63.9-174.2-177.2176.52.7112.5
198S60.6Low54.9Low19 Ų1994.6 Ų94.613%0.13347%0.472CS..  trans-102.529.4-178.465.10000113E332 N339 L341S198-E332 PolarHBondContact OG-OE2 2.95Å; S198-N339 WeakPolarHBondContact CB-O 3.32Å; S198-L341 WeakPolarHBondContact OG-CB 3.43Å
199E51Low54.7Low143 Ų14397.4 Ų97.467%0.66848%0.484SS*.PPolyproline II helixtrans-67.3135.4-176.7-69.2-174.5137.700111.9
200P51.5Low54.3Low88 Ų88108.5 Ų108.557%0.57153%0.525SS*.PPolyproline II helixtrans-66.1148.3169.130.4-34.3000109.5A202 I340P200-A202 PolarHBondContact O-N 3.01Å; P200-I340 HydrophobicContact CB-CD1 4.2Å
201P48.9Very low54Low110 Ų110111.8 Ų111.871%0.71455%0.545SS*.PPolyproline II helixtrans-56135.6178.424.3-34.2000110.1R203P201-R203 PolarHBondContact O-N 2.7Å
202A44.4Very low53.2Low103 Ų103117.3 Ų117.385%0.85157%0.57SS**  trans-58.3102178.700000109.3P200 R204P200-A202 PolarHBondContact O-N 3.01Å; A202-R204 PolarHBondContact O-N 3.15Å
203R39.4Very low51.9Low227 Ų227121 Ų12186%0.85761%0.605SS**  trans-60.7109177.9-174.3-169-60.7-173.11.5107P201 R205P201-R203 PolarHBondContact O-N 2.7Å; R203-R205 PolarHBondContact O-N 3.14Å
204R38.2Very low50.6Low240 Ų240126.1 Ų126.191%0.90664%0.635SS**  trans-46.8115.6171.7-96.3-170170.1-155.7-1.3107.3A202 S206A202-R204 PolarHBondContact O-N 3.15Å; R204-S206 PolarHBondContact O-N 3.41Å
205R35.4Very low48.7Very low189 Ų189135.2 Ų135.271%0.71367%0.674SS**  trans-68104.7175.4-83.2179144.3159.2-6.3107.4R203 E209R203-R205 PolarHBondContact O-N 3.14Å; R205-E209 IonicContact CZ-OE2 3.15Å; R205-E209 IonicContact NE-OE2 2.75Å; R205-E209 PolarHBondContact NE-OE2 2.94Å; R205-E209 IonicContact NH2-OE2 2.71Å; R205-E209 PolarHBondContact NH2-OE2 3.23Å
206S39.4Very low47.1Very low85 Ų85138.1 Ų138.159%0.59469%0.685SS**  trans-54.6143.3157.946.40000108.2R204 S208R204-S206 PolarHBondContact O-N 3.41Å; S206-S208 PolarHBondContact O-N 3.04Å
207L42.5Very low45.9Very low177 Ų177143.8 Ų143.893%0.92772%0.72SS**G310 helixtrans-70.26.2-162-66.4168.1000114.9
208S51.1Low45.1Very low94 Ų94141.3 Ų141.366%0.65772%0.719SS**G310 helixtrans-78.7-15.2-179.652.30000115.2S206 R210S206-S208 PolarHBondContact O-N 3.04Å; S208-R210 PolarHBondContact O-N 2.88Å
209E40.7Very low44.4Very low96 Ų96150.4 Ų150.445%0.44976%0.757SS.*G310 helixtrans-87.25.4-171.2-144.3177.8-116.300114.9R205 S211 I212R205-E209 IonicContact CZ-OE2 3.15Å; R205-E209 IonicContact NE-OE2 2.75Å; R205-E209 PolarHBondContact NE-OE2 2.94Å; R205-E209 IonicContact NH2-OE2 2.71Å; R205-E209 PolarHBondContact NH2-OE2 3.23Å; E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 2.93Å; E209-I212 HydrophobicContact CG-CD1 4.2Å
210R41.2Very low44.2Very low246 Ų246152.9 Ų152.993%0.92877%0.768SS**THydrogen-bonded Turntrans-78.33.6-172.9-145177.9-171.5-174.82.6115.2S208S208-R210 PolarHBondContact O-N 2.88Å
211S44.8Very low44Very low91 Ų91151.6 Ų151.664%0.63677%0.771SS**THydrogen-bonded Turntrans-101.9-8.4-170.556.10000116E209 A213E209-S211 VanDerWaalsContact C-N 3.26Å; E209-S211 PolarHBondContact O-N 2.93Å; S211-A213 VanDerWaalsContact C-N 3.32Å; S211-A213 PolarHBondContact O-N 2.7Å
212I45.5Very low43.8Very low129 Ų129153.8 Ų153.866%0.66278%0.776SS**G310 helixtrans-82.7-6.7-168.1-59.2178.9000113.2E209 V214E209-I212 HydrophobicContact CG-CD1 4.2Å; I212-V214 VanDerWaalsContact C-N 3.29Å; I212-V214 PolarHBondContact O-N 3.07Å; I212-V214 VanDerWaalsContact O-N 3.16Å
213A46.8Very low43.9Very low98 Ų98159.5 Ų159.581%0.8178%0.776SS**G310 helixtrans-69.2-11.8-17100000116.6S211S211-A213 VanDerWaalsContact C-N 3.32Å; S211-A213 PolarHBondContact O-N 2.7Å
214V47.2Very low44.5Very low128 Ų128156.6 Ų156.678%0.77678%0.775SS**G310 helixtrans-93.4-17.4-169.1-177.60000114I212 R216I212-V214 VanDerWaalsContact C-N 3.29Å; I212-V214 PolarHBondContact O-N 3.07Å; I212-V214 VanDerWaalsContact O-N 3.16Å; V214-R216 PolarHBondContact O-N 3.43Å
215K41Very low44.7Very low200 Ų200154.2 Ų154.287%0.8777%0.772SS**  trans-87.171.4-174.5-72.8-170.6174-177.90113.7
216R43.4Very low44.9Very low243 Ų243154.8 Ų154.892%0.91778%0.779SS**SBendtrans-140.322.1169.1-84.9-152.9-175.7127-0.1116.3V214V214-R216 PolarHBondContact O-N 3.43Å
217T46.4Very low45Very low124 Ų124160 Ų16076%0.76180%0.795SS**SBendtrans-141.5163.2169-27.40000109.5
218I46.9Very low44.7Very low137 Ų137160.8 Ų160.870%0.70379%0.79SS**  trans65.791.3173.5-47.2159.8000113.7
219F45.8Very low43.9Very low211 Ų211162 Ų16293%0.92580%0.799SS**  trans-163.850.8135.1-91.7-54.1000111.4
220Q46.7Very low43.7Very low194 Ų194164.1 Ų164.191%0.90782%0.818SS**  trans-99.3145.5146.1-76.1179.4-45.800107
221G47.6Very low43.6Very low62 Ų62156.1 Ų156.164%0.63981%0.812SS**SBendtrans99.9102.5174.100000115.7
222L45.9Very low43.3Very low156 Ų156159.5 Ų159.582%0.81782%0.823SS**  46.1113.1128-66.5155.4000120.4
223R45.8Very low43Very low222 Ų222161.6 Ų161.684%0.83883%0.834SS**  29.3120.8125.3-52.8165.998.9157.14.2117.3
224I51.8Low42.4Very low166 Ų166161.3 Ų161.385%0.85183%0.832SS**  177.9121.1117.5-92157.2000113.9
225K42.7Very low42.2Very low190 Ų190163.9 Ų163.983%0.82684%0.835SS**  trans47.579.4134.7-147.3175.4-175.9-178.30121.5
226K38.7Very low41.9Very low201 Ų201165 Ų16587%0.87483%0.834SS**  34.3108.2120.6-174.6-173.2-176.1-179.30118.5
227Q43.1Very low41.8Very low196 Ų196160.9 Ų160.992%0.91683%0.829SS**  trans-143.4156.3154.2-157.7159-1300111.2
228K34.5Very low41.5Very low193 Ų193160.4 Ų160.484%0.83983%0.826SS**  trans-114.9149.6179-62.1175.6174.4-177.90109.6
229S35.4Very low41.1Very low119 Ų119159.5 Ų159.583%0.83283%0.831SS**  174.4173.1115.3-154.10000111.3
230T36.1Very low40.8Very low140 Ų140153.3 Ų153.386%0.85982%0.819SS**  trans-104.2156.9178.249.70000112
231G39.9Very low40.4Very low78 Ų78151.1 Ų151.180%0.80482%0.819SS**  trans-169.9136168.800000111.7
232D37.4Very low39.9Very low162 Ų162152 Ų15287%0.86683%0.829SS**  trans-78.1159.2-178-78.8-71.5000113.9
233I39Very low39.4Very low174 Ų174149.5 Ų149.589%0.89282%0.824SS**  trans-145.8132.7148.3-150.771000110
234A34.5Very low39.1Very low92 Ų92145.3 Ų145.376%0.7682%0.817SS**  trans-152.3118.8-177.200000112.6
235Q43Very low38.3Very low181 Ų181148.5 Ų148.585%0.84682%0.818SS**  trans-153.8115.4165.9-99.4166.94.100106.9
236R35.3Very low38Very low225 Ų225144 Ų14485%0.84981%0.81SS**  81.9113.584.9-83.3-167.2-176.6-116.34.2113.9
237I40.7Very low37.9Very low156 Ų156140.1 Ų140.180%0.881%0.809SS**  trans170.898.2143.2-89.4153.6000104.3
238T39.7Very low37.5Very low113 Ų113134.3 Ų134.369%0.69380%0.801SS**  52.6127.881.164.30000113.2
239S39.1Very low37.5Very low118 Ų118130.2 Ų130.283%0.82580%0.797SS**  cis-169.2171-1.635.20000107
240A39.6Very low37.4Very low81 Ų81130.3 Ų130.367%0.66979%0.793SS**  cis-153.3175.520.500000111.8
241T39Very low37.1Very low148 Ų148130.3 Ų130.391%0.90879%0.792SS**  trans41.4124.4158.954.90000119.3
242G36.1Very low36.7Very low81 Ų81132.1 Ų132.184%0.83579%0.793SS**  cis152.9155.710.800000107.1
243S36.6Very low36.3Very low103 Ų103137 Ų13772%0.7280%0.799SS**  cis-156.412711.1-172.40000112.2
244I39.5Very low36.1Very low135 Ų135132 Ų13269%0.69279%0.791SS**  trans58.3112.2137.2-57.8176.4000120.8
245R35Very low36.2Very low233 Ų233133.1 Ų133.188%0.87979%0.793SS**  trans69159.2147.7-68.4171.6-178.1166.1-1.7120.3
246S35.6Very low35.7Very low94 Ų94131.3 Ų131.366%0.65779%0.789SS**  169.7146.7-51.3520000111.1
247S36.9Very low35.6Very low121 Ų121130.1 Ų130.185%0.84679%0.793SS**  trans117124.6152.4-62.20000117.4
248G34.1Very low35.2Very low73 Ų73127.9 Ų127.975%0.75379%0.791SS**  trans72.6153.7165.300000117
249S34.9Very low34.9Very low107 Ų107126 Ų12675%0.74879%0.787SS**  cis-173.4151.1-32.730.10000109.9
250T32.7Very low34.6Very low122 Ų122131.9 Ų131.975%0.74879%0.791SS**  trans60.496.5153.648.80000121.2
251V30.1Very low34.2Very low139 Ų139134.7 Ų134.784%0.84280%0.801SS**  trans54.6112.7134.3-56.80000121.7
252S32Very low33.8Very low117 Ų117130.9 Ų130.982%0.81879%0.79SS**  trans-138.3156.9145.961.40000109.7
253W29.3Very low33.5Very low265 Ų265137.8 Ų137.8100%1.00479%0.793SS**  trans-125.8103.7174.9-88.741.5000107.9
254G35.7Very low33.2Very low69 Ų69138.7 Ų138.771%0.71180%0.799SS**  trans-179.7111.717800000114.6
255S34.8Very low32.7Very low114 Ų114134.8 Ų134.880%0.79779%0.792SS**  trans65.7148.8158-59.30000121.1
256D32.4Very low32.5Very low144 Ų144129.9 Ų129.977%0.7779%0.793SS**  trans46.6111.9148.2-53.2-11000120.5
257E34.4Very low32.3Very low199 Ų199132.4 Ų132.493%0.9380%0.795SS**  trans-125.1110.9151.5-169.6173.5-141.700108.1
258S32.1Very low32Very low110 Ų110135.5 Ų135.577%0.76980%0.796SS**  trans-112.1115.5177.160.10000110
259A33.7Very low32Very low73 Ų73139.5 Ų139.560%0.60380%0.795SS**  trans-145.2172.8176.600000110
260W32.8Very low31.9Very low241 Ų241140.5 Ų140.591%0.91379%0.788SS**  trans74.248.3-176.9-50.1100.1000115.6
261T31.2Very low32.1Very low141 Ų141139.8 Ų139.887%0.86579%0.788SS**  -61.2146.9129.742.80000109.5
262G29.3Very low32.6Very low67 Ų67138.8 Ų138.869%0.69178%0.777SS**  trans92.260.4164.700000117.8
263Y31.5Very low32.6Very low227 Ų227140 Ų14089%0.8977%0.771SS**  trans-144129.5138.8-139.9-96.4000110.9
264S29.4Very low33Very low121 Ų121137.6 Ų137.685%0.84676%0.764SS**  trans-97.8124.3172.2-175.40000108.3
265G28.9Very low33.7Very low54 Ų54138.1 Ų138.156%0.55775%0.75SS**SBendtrans140.1110.5176.800000114.6Q267G265-Q267 PolarHBondContact O-N 3.01Å
266S31.6Very low34.8Very low129 Ų129135.9 Ų135.990%0.90273%0.727SS**SBendtrans44.968146.862.40000119.3
267Q30.8Very low36.3Very low147 Ų147138.2 Ų138.269%0.68773%0.73SS**  trans-145.425.7161.3-147.1177-6.300116G265 H269 E270G265-Q267 PolarHBondContact O-N 3.01Å; Q267-H269 PolarHBondContact O-N 2.92Å; Q267-E270 PolarHBondContact NE2-OE2 3.09Å
268E31Very low38.4Very low186 Ų186130.4 Ų130.487%0.86969%0.694SS**THydrogen-bonded Turntrans-69.5-14.5177.8-62.7-163.5134.300114.3
269H32.7Very low40.8Very low157 Ų157129 Ų12973%0.72768%0.678SS**THydrogen-bonded Turntrans-83.1-18.1-165.3-151.8-86.7000115.7Q267Q267-H269 PolarHBondContact O-N 2.92Å
270E33.7Very low43.2Very low129 Ų129129.3 Ų129.360%0.60367%0.674SS**SBendtrans-78.4-27.8-177.8-81.3-169.4101.300114.1Q267 L272 M273Q267-E270 PolarHBondContact NE2-OE2 3.09Å; E270-L272 PolarHBondContact O-N 3.34Å; E270-M273 PolarHBondContact O-N 2.88Å
271S36.3Very low45.8Very low107 Ų107123.3 Ų123.375%0.74866%0.66SS**THydrogen-bonded Turntrans-67-23.3-175.3-164.20000113.4
272L41.3Very low48.6Very low118 Ų118116.6 Ų116.662%0.61862%0.619SS**THydrogen-bonded Turntrans-86.4-21.9-178.9-65.4174.9000113.7E270 Y274 L275E270-L272 PolarHBondContact O-N 3.34Å; L272-Y274 PolarHBondContact O-N 3.41Å; L272-Y274 VanDerWaalsContact O-N 3.15Å; L272-L275 HydrophobicContact CD2-CD1 4.19Å; L272-L275 PolarHBondContact O-N 2.95Å
273M31.4Very low51.5Low142 Ų142115.4 Ų115.470%0.760%0.597SS**THydrogen-bonded Turntrans-67.9-12-176.5-87.9-116.160.800115.1E270E270-M273 PolarHBondContact O-N 2.88Å
274Y38.6Very low54.4Low215 Ų215104.6 Ų104.684%0.84355%0.554SS**THydrogen-bonded Turntrans-114.213.9179.6-78.5-79.2000114.7L272 E276L272-Y274 PolarHBondContact O-N 3.41Å; L272-Y274 VanDerWaalsContact O-N 3.15Å; Y274-E276 PolarHBondContact O-N 3.05Å
275L50Low57.6Low79 Ų79100.6 Ų100.641%0.41453%0.525SS..SBendtrans-70.2111.2155-77.8167.6000108.2F149 L272 F277F149-L275 HydrophobicContact CZ-CD1 4.27Å; F149-L275 HydrophobicContact CZ-CD2 4Å; L272-L275 HydrophobicContact CD2-CD1 4.19Å; L272-L275 PolarHBondContact O-N 2.95Å; L275-F277 PolarHBondContact O-N 2.88Å; L275-F277 VanDerWaalsContact O-N 3.15Å
276E58.7Low60.8Low67 Ų6798 Ų9831%0.31350%0.498SS..  trans-46.6123.1153.2169.7-174-121.100106.8A196 Y274 I278 R303A196-E276 WeakPolarHBondContact CB-OE1 3.3Å; A196-E276 WeakPolarHBondContact CB-OE2 3.41Å; Y274-E276 PolarHBondContact O-N 3.05Å; E276-I278 WeakPolarHBondContact O-CG1 3.32Å; E276-I278 PolarHBondContact O-N 2.93Å; E276-R303 IonicContact OE2-CZ 3.72Å; E276-R303 IonicContact OE2-NH1 3.78Å; E276-R303 IonicContact OE2-NH2 2.73Å; E276-R303 PolarHBondContact OE2-NH2 2.95Å
277F63.9Low64Low194 Ų19493.8 Ų93.885%0.85147%0.465SS*.  trans-52.6100.9-177.7-71.1-90.2000110.5L275L275-F277 PolarHBondContact O-N 2.88Å; L275-F277 VanDerWaalsContact O-N 3.15Å
278I76.7Confident67.2Low34 Ų3486.8 Ų86.817%0.17443%0.432CS..  trans-90.1134.1174.1-51.6-157.5000105.9F149 E276 A282F149-I278 HydrophobicContact CB-CG2 3.81Å; F149-I278 HydrophobicContact CD1-CB 3.73Å; F149-I278 HydrophobicContact CD1-CG2 3.7Å; F149-I278 HydrophobicContact CD2-CB 4.38Å; F149-I278 HydrophobicContact CD2-CD1 4.14Å; F149-I278 HydrophobicContact CD2-CG2 3.92Å; F149-I278 HydrophobicContact CE1-CB 3.84Å; F149-I278 HydrophobicContact CE1-CG1 4.4Å; F149-I278 HydrophobicContact CE1-CG2 4.27Å; F149-I278 HydrophobicContact CE2-CB 4.48Å; F149-I278 HydrophobicContact CE2-CD1 3.85Å; F149-I278 HydrophobicContact CE2-CG1 4.49Å; F149-I278 HydrophobicContact CE2-CG2 4.47Å; F149-I278 HydrophobicContact CG-CB 4.03Å; F149-I278 HydrophobicContact CG-CG2 3.51Å; F149-I278 HydrophobicContact CZ-CB 4.23Å; F149-I278 HydrophobicContact CZ-CD1 4.11Å; F149-I278 HydrophobicContact CZ-CG1 4.32Å; E276-I278 WeakPolarHBondContact O-CG1 3.32Å; E276-I278 PolarHBondContact O-N 2.93Å; I278-A282 HydrophobicContact CG2-CB 3.53Å
279D82.4Confident70.4Confident81 Ų8180.5 Ų80.543%0.43340%0.403SS..  trans-56.9129.1174.5-178.1-21.3000109.2F149 N281 A282 D305F149-D279 WeakPolarHBondContact CB-O 3.48Å; D279-N281 PolarHBondContact O-N 2.83Å; D279-N281 WeakPolarHBondContact OD1-CB 3.39Å; D279-N281 PolarHBondContact OD1-N 2.8Å; D279-A282 HydrophobicContact CB-CB 4.08Å; D279-A282 WeakPolarHBondContact O-CB 3.25Å; D279-A282 PolarHBondContact O-N 3.33Å; D279-D305 PolarHBondContact N-OD2 2.99Å
280P84.7Confident73.4Confident80 Ų8073.3 Ų73.352%0.51937%0.369SS..THydrogen-bonded Turntrans-47.6-30.2170.9-31.338.2000114.4F149 S150F149-P280 PolarHBondContact N-O 3.3Å; S150-P280 WeakPolarHBondContact CB-O 3.34Å; S150-P280 PolarHBondContact N-O 3.38Å; S150-P280 PolarHBondContact OG-O 3.06Å
281N88.6Confident76.3Confident115 Ų11573.4 Ų73.462%0.61537%0.367SS*.THydrogen-bonded Turntrans-94.30.3177.9-65.6-24.6000113.8D279D279-N281 PolarHBondContact O-N 2.83Å; D279-N281 WeakPolarHBondContact OD1-CB 3.39Å; D279-N281 PolarHBondContact OD1-N 2.8Å
282A88.8Confident78.9Confident0 Ų072 Ų720%035%0.352CS..  trans-55147.8179.300000111.7P148 F149 F192 I278 D279 R303 S304 D305P148-A282 CarbonylContact C-O 3.36Å; P148-A282 WeakPolarHBondContact CA-O 3.4Å; F149-A282 HydrophobicContact CB-CB 4.04Å; F149-A282 PolarHBondContact N-O 3.28Å; F192-A282 HydrophobicContact CE1-CB 4.44Å; F192-A282 WeakPolarHBondContact CZ-O 3.46Å; I278-A282 HydrophobicContact CG2-CB 3.53Å; D279-A282 HydrophobicContact CB-CB 4.08Å; D279-A282 WeakPolarHBondContact O-CB 3.25Å; D279-A282 PolarHBondContact O-N 3.33Å; A282-R303 HydrophobicContact CB-CG 4.41Å; A282-S304 WeakPolarHBondContact CA-OG 3.44Å; A282-S304 WeakPolarHBondContact CB-OG 3.17Å; A282-D305 WeakPolarHBondContact CB-OD1 3.24Å
283N90.9Very high81.1Confident42 Ų4266.8 Ų66.823%0.22532%0.324CS..  trans-137.8152.7169.159.291.7000111.3K145 S146 R303 S304K145-N283 WeakPolarHBondContact CE-OD1 3.34Å; S146-N283 WeakPolarHBondContact OG-CA 3.16Å; N283-R303 VanDerWaalsContact O-CA 3.28Å; N283-R303 WeakPolarHBondContact O-CA 3.44Å; N283-S304 PolarHBondContact N-OG 3.2Å; N283-S304 PolarHBondContact O-N 3.48Å; N283-S304 PolarHBondContact O-OG 3.39Å
284E92.5Very high83.9Confident0 Ų063.4 Ų63.40%031%0.306CS..EExtended strand (participates in β ladder)trans-112.4121.5179.8-174.9-156.185.600110.1R144 K145 S146 F192 V193 L194 R295 C301 E302R144-E284 IonicContact CZ-OE1 3.62Å; R144-E284 IonicContact NH2-OE1 3.72Å; R144-E284 PolarHBondContact NH2-OE1 2.56Å; K145-E284 CarbonylContact C-O 3.56Å; K145-E284 WeakPolarHBondContact CA-O 3.39Å; S146-E284 PolarHBondContact N-O 3.38Å; S146-E284 PolarHBondContact OG-N 3.13Å; F192-E284 HydrophobicContact CD1-CB 3.91Å; F192-E284 HydrophobicContact CE1-CB 3.98Å; V193-E284 PolarHBondContact N-OE2 3.44Å; L194-E284 HydrophobicContact CB-CG 4.4Å; L194-E284 PolarHBondContact N-OE2 2.82Å; E284-R295 IonicContact OE1-CZ 3.87Å; E284-R295 IonicContact OE1-NE 3.93Å; E284-R295 IonicContact OE1-NH2 2.76Å; E284-R295 PolarHBondContact OE1-NH2 2.78Å; E284-C301 VanDerWaalsContact CD-SG 3.58Å; E284-C301 VanDerWaalsContact CG-SG 3.52Å; E284-E302 CarbonylContact C-O 3.57Å; E284-E302 WeakPolarHBondContact CA-O 3.21Å
285V95.8Very high86.5Confident37 Ų3753.3 Ų53.322%0.22427%0.266CS..EExtended strand (participates in β ladder)trans-101135.4171.1-177.90000109.4V143 R144 K145 M287 C301 E302V143-V285 HydrophobicContact CG1-CG1 4.06Å; R144-V285 CarbonylContact O-C 3.55Å; R144-V285 VanDerWaalsContact O-CA 3.27Å; R144-V285 WeakPolarHBondContact O-CA 3.4Å; K145-V285 HydrophobicContact CB-CG2 4.49Å; K145-V285 HydrophobicContact CG-CG2 4.19Å; V285-M287 HydrophobicContact CG1-CE 4.24Å; V285-M287 HydrophobicContact CG1-CG 4.08Å; V285-M287 HydrophobicContact CG1-SD 4.4Å; V285-C301 CarbonylContact O-C 3.55Å; V285-C301 VanDerWaalsContact O-CA 3.29Å; V285-C301 WeakPolarHBondContact O-CA 3.34Å; V285-C301 PolarHBondContact O-SG 3.44Å; V285-C301 VanDerWaalsContact O-SG 3.33Å; V285-E302 PolarHBondContact N-O 3.13Å; V285-E302 PolarHBondContact O-N 3.06Å
286Y96.8Very high88.7Confident0 Ų050.1 Ų50.10%025%0.25CS..EExtended strand (participates in β ladder)trans-122132.9169.6177.5-95.2000109.9V143 R144 E289 W290 R295 V300 C301 W313V143-Y286 CarbonylContact C-O 3.56Å; V143-Y286 VanDerWaalsContact CA-O 3.26Å; V143-Y286 WeakPolarHBondContact CA-O 3.38Å; R144-Y286 PolarHBondContact N-O 3.42Å; R144-Y286 PolarHBondContact O-N 2.98Å; Y286-E289 PolarHBondContact OH-N 3.1Å; Y286-E289 PolarHBondContact OH-O 3.27Å; Y286-W290 AromaticContact CD1-CE2 3.62Å; Y286-W290 HydrophobicContact CD1-CH2 4.46Å; Y286-W290 AromaticContact CD1-CZ2 3.45Å; Y286-W290 HydrophobicContact CD1-CZ2 3.45Å; Y286-W290 VanDerWaalsContact CD1-CZ2 3.45Å; Y286-W290 AromaticContact CD1-NE1 3.52Å; Y286-W290 AromaticContact CE1-CE2 3.75Å; Y286-W290 AromaticContact CE1-CZ2 4Å; Y286-W290 HydrophobicContact CE1-CZ2 4Å; Y286-W290 AromaticContact CE1-NE1 3.5Å; Y286-W290 HydrophobicContact CG-CZ2 4.28Å; Y286-R295 HydrophobicContact CD1-CG 3.98Å; Y286-R295 HydrophobicContact CD2-CG 3.98Å; Y286-R295 HydrophobicContact CE1-CB 4.24Å; Y286-R295 HydrophobicContact CE1-CG 3.9Å; Y286-R295 HydrophobicContact CE2-CB 4.05Å; Y286-R295 HydrophobicContact CE2-CG 3.93Å; Y286-R295 HydrophobicContact CG-CG 3.99Å; Y286-V300 WeakPolarHBondContact CA-O 3.06Å; Y286-C301 HydrophobicContact CD2-CB 3.92Å; Y286-W313 HydrophobicContact CD2-CZ2 4.39Å; Y286-W313 AromaticContact CE2-CD1 3.92Å; Y286-W313 HydrophobicContact CE2-CD2 4.02Å; Y286-W313 AromaticContact CE2-CE2 3.72Å; Y286-W313 HydrophobicContact CE2-CG 4.14Å; Y286-W313 HydrophobicContact CE2-CZ2 4.23Å; Y286-W313 AromaticContact CE2-NE1 3.65Å
287M98.3Very high90.5Very high39 Ų3948.2 Ų48.219%0.19225%0.249CC..EExtended strand (participates in β ladder)trans-130.9106.2179.2-62.1165-78.400108.2V143 V285 G299 V300 A373 A376 V377V143-M287 HydrophobicContact CG1-CG 4.04Å; V143-M287 HydrophobicContact CG2-CG 4.05Å; V285-M287 HydrophobicContact CG1-CE 4.24Å; V285-M287 HydrophobicContact CG1-CG 4.08Å; V285-M287 HydrophobicContact CG1-SD 4.4Å; M287-G299 WeakPolarHBondContact O-CA 3.43Å; M287-V300 HydrophobicContact CE-CB 4.36Å; M287-V300 HydrophobicContact CE-CG1 4.06Å; M287-V300 PolarHBondContact N-O 3.47Å; M287-V300 PolarHBondContact O-N 3.27Å; M287-A373 HydrophobicContact CB-CB 3.72Å; M287-A376 HydrophobicContact CB-CB 4.44Å; M287-V377 HydrophobicContact SD-CG2 4.45Å
288G98Very high92.2Very high0 Ų042.1 Ų42.10%022%0.222CC..EExtended strand (participates in β ladder)trans167.1-154.5-179.200000114.2Y141 G142 A376Y141-G288 WeakPolarHBondContact CA-O 3.43Å; G142-G288 PolarHBondContact N-O 3.14Å; G142-G288 VanDerWaalsContact N-O 3.15Å; G288-A376 VanDerWaalsContact N-CB 3.31Å
289E98.3Very high93.2Very high55 Ų5540.5 Ų40.526%0.25721%0.214SC..EExtended strand (participates in β ladder)trans-80.1143.6-176.6-77.1175.2-102.300114.2G140 Y141 Y286 S296 F298G140-E289 CarbonylContact O-C 3.38Å; G140-E289 WeakPolarHBondContact O-CA 3.38Å; Y141-E289 HydrophobicContact CD1-CG 3.84Å; Y141-E289 HydrophobicContact CE1-CG 3.44Å; Y141-E289 VanDerWaalsContact CE1-CG 3.44Å; Y141-E289 HydrophobicContact CE2-CG 4.47Å; Y286-E289 PolarHBondContact OH-N 3.1Å; Y286-E289 PolarHBondContact OH-O 3.27Å; E289-S296 CarbonylContact C-O 3.5Å; E289-S296 WeakPolarHBondContact CB-O 3.23Å; E289-S296 PolarHBondContact O-N 3.4Å; E289-S296 VanDerWaalsContact O-N 3.14Å; E289-F298 PolarHBondContact N-O 2.84Å; E289-F298 PolarHBondContact OE1-N 2.69Å
290W96.4Very high93.9Very high6 Ų636.8 Ų36.82%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-129135.8-179.5-7185.9000109.8Y129 R138 H139 G140 G142 R144 Y286 R295Y129-W290 HydrophobicContact CD2-CZ2 4.48Å; Y129-W290 AromaticContact CE2-CD1 3.94Å; Y129-W290 HydrophobicContact CE2-CD2 4.22Å; Y129-W290 AromaticContact CE2-CE2 3.8Å; Y129-W290 HydrophobicContact CE2-CG 4.31Å; Y129-W290 HydrophobicContact CE2-CZ2 4.33Å; Y129-W290 AromaticContact CE2-NE1 3.58Å; R138-W290 HydrophobicContact CB-CD2 4.37Å; R138-W290 HydrophobicContact CB-CE3 4.2Å; H139-W290 CarbonylContact C-O 3.59Å; H139-W290 WeakPolarHBondContact CA-O 3.41Å; G140-W290 PolarHBondContact N-O 3.2Å; G140-W290 PolarHBondContact O-N 2.86Å; G142-W290 PolarHBondContact O-NE1 2.92Å; R144-W290 HydrophobicContact CB-CH2 4.28Å; R144-W290 HydrophobicContact CB-CZ2 3.76Å; Y286-W290 AromaticContact CD1-CE2 3.62Å; Y286-W290 HydrophobicContact CD1-CH2 4.46Å; Y286-W290 AromaticContact CD1-CZ2 3.45Å; Y286-W290 HydrophobicContact CD1-CZ2 3.45Å; Y286-W290 VanDerWaalsContact CD1-CZ2 3.45Å; Y286-W290 AromaticContact CD1-NE1 3.52Å; Y286-W290 AromaticContact CE1-CE2 3.75Å; Y286-W290 AromaticContact CE1-CZ2 4Å; Y286-W290 HydrophobicContact CE1-CZ2 4Å; Y286-W290 AromaticContact CE1-NE1 3.5Å; Y286-W290 HydrophobicContact CG-CZ2 4.28Å; W290-R295 HydrophobicContact CH2-CG 3.72Å; W290-R295 HydrophobicContact CZ2-CG 4.05Å; W290-R295 HydrophobicContact CZ3-CG 4.03Å
291K94.5Very high94.5Very high130 Ų13033 Ų3357%0.56517%0.169SC*.EExtended strand (participates in β ladder)trans-135.9111.1172.6-170.5170.9-176.9170.50109.2D293 K294K291-D293 PolarHBondContact O-N 2.97Å; K291-K294 PolarHBondContact N-O 3.32Å; K291-K294 PolarHBondContact O-N 2.88Å; K291-K294 VanDerWaalsContact O-N 3.1Å
292N89.4Confident94.8Very high78 Ų7831.6 Ų31.642%0.41716%0.159SC..THydrogen-bonded Turntrans51.760.4175.1-55.54.8000111.5M137 R138 H139 K294M137-N292 HydrophobicContact SD-CB 3.99Å; R138-N292 PolarHBondContact O-N 2.97Å; H139-N292 PolarHBondContact ND1-OD1 3.45Å; N292-K294 PolarHBondContact O-N 3.09Å; N292-K294 VanDerWaalsContact O-N 3.14Å
293D88.8Confident95Very high9 Ų932 Ų325%0.04816%0.16CC..THydrogen-bonded Turntrans63.55.7-176.8-81.6-25.7000117.2R138 R189 K291R138-D293 WeakPolarHBondContact CB-OD1 3.33Å; R138-D293 WeakPolarHBondContact CG-OD1 3.33Å; R138-D293 IonicContact CZ-OD1 3.69Å; R138-D293 PolarHBondContact N-OD1 3.01Å; R138-D293 IonicContact NE-OD1 2.8Å; R138-D293 PolarHBondContact NE-OD1 2.9Å; R138-D293 PolarHBondContact NH2-O 2.99Å; R138-D293 IonicContact NH2-OD1 2.69Å; R138-D293 PolarHBondContact O-N 2.7Å; R189-D293 IonicContact CZ-OD2 3.91Å; R189-D293 VanDerWaalsContact CZ-OD2 3.3Å; R189-D293 IonicContact NE-OD1 2.67Å; R189-D293 IonicContact NE-OD2 2.7Å; R189-D293 PolarHBondContact NE-OD2 3.35Å; R189-D293 IonicContact NH2-OD1 3.68Å; R189-D293 PolarHBondContact NH2-OD1 2.88Å; R189-D293 IonicContact NH2-OD2 2.73Å; R189-D293 PolarHBondContact NH2-OD2 2.87Å; K291-D293 PolarHBondContact O-N 2.97Å
294K90Very high95.1Very high70 Ų7033.3 Ų33.330%0.30417%0.173SC..EExtended strand (participates in β ladder)trans-115.5133.5177.7-53-174.5-167.6-152.40112.2N188 K291 N292 S296 N315N188-K294 WeakPolarHBondContact OD1-CE 3.42Å; N188-K294 PolarHBondContact OD1-NZ 3.38Å; K291-K294 PolarHBondContact N-O 3.32Å; K291-K294 PolarHBondContact O-N 2.88Å; K291-K294 VanDerWaalsContact O-N 3.1Å; N292-K294 PolarHBondContact O-N 3.09Å; N292-K294 VanDerWaalsContact O-N 3.14Å; K294-S296 PolarHBondContact O-N 3.15Å; K294-S296 PolarHBondContact O-OG 2.72Å; K294-S296 VanDerWaalsContact O-OG 3.1Å; K294-N315 HydrophobicContact CD-CB 4.16Å
295R93.7Very high94.9Very high4 Ų435 Ų352%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-55.3124.5168.2-58.1169.6-169.376-16.8108.4G191 E284 Y286 W290 W313 N315 N316G191-R295 PolarHBondContact O-NH2 3.48Å; E284-R295 IonicContact OE1-CZ 3.87Å; E284-R295 IonicContact OE1-NE 3.93Å; E284-R295 IonicContact OE1-NH2 2.76Å; E284-R295 PolarHBondContact OE1-NH2 2.78Å; Y286-R295 HydrophobicContact CD1-CG 3.98Å; Y286-R295 HydrophobicContact CD2-CG 3.98Å; Y286-R295 HydrophobicContact CE1-CB 4.24Å; Y286-R295 HydrophobicContact CE1-CG 3.9Å; Y286-R295 HydrophobicContact CE2-CB 4.05Å; Y286-R295 HydrophobicContact CE2-CG 3.93Å; Y286-R295 HydrophobicContact CG-CG 3.99Å; W290-R295 HydrophobicContact CH2-CG 3.72Å; W290-R295 HydrophobicContact CZ2-CG 4.05Å; W290-R295 HydrophobicContact CZ3-CG 4.03Å; R295-W313 HydrophobicContact CB-CD2 4.4Å; R295-W313 HydrophobicContact CB-CE3 4.16Å; R295-N315 PolarHBondContact O-N 3.07Å; R295-N316 WeakPolarHBondContact CG-OD1 3.42Å; R295-N316 PolarHBondContact N-OD1 3.25Å; R295-N316 PolarHBondContact NH1-OD1 3.11Å; R295-N316 PolarHBondContact O-N 2.9Å
296S95.2Very high94.6Very high12 Ų1235 Ų358%0.08419%0.19CC..EExtended strand (participates in β ladder)trans-149.8171.7-173.6-61.20000109E289 K294 W313E289-S296 CarbonylContact C-O 3.5Å; E289-S296 WeakPolarHBondContact CB-O 3.23Å; E289-S296 PolarHBondContact O-N 3.4Å; E289-S296 VanDerWaalsContact O-N 3.14Å; K294-S296 PolarHBondContact O-N 3.15Å; K294-S296 PolarHBondContact O-OG 2.72Å; K294-S296 VanDerWaalsContact O-OG 3.1Å; S296-W313 CarbonylContact C-O 3.57Å; S296-W313 WeakPolarHBondContact CA-O 3.46Å
297G97.4Very high94.4Very high27 Ų2735.1 Ų35.128%0.27819%0.19SC..EExtended strand (participates in β ladder)trans66.2-141.3176.200000112.1E312 W313G297-E312 CarbonylContact O-C 3.58Å; G297-E312 WeakPolarHBondContact O-CA 3.29Å; G297-W313 PolarHBondContact N-O 3.31Å; G297-W313 PolarHBondContact O-N 3.27Å
298F98.5Very high94.3Very high65 Ų6535.4 Ų35.429%0.28519%0.191SC..EExtended strand (participates in β ladder)trans-98.8145.4177.3-66.2-83.8000112.1E289 E312 A365 A368 A372E289-F298 PolarHBondContact N-O 2.84Å; E289-F298 PolarHBondContact OE1-N 2.69Å; F298-E312 HydrophobicContact CD1-CG 3.86Å; F298-E312 HydrophobicContact CE1-CG 3.37Å; F298-E312 HydrophobicContact CZ-CG 3.91Å; F298-A365 HydrophobicContact CE1-CB 4.2Å; F298-A368 HydrophobicContact CB-CB 4.46Å; F298-A368 HydrophobicContact CD1-CB 3.46Å; F298-A368 VanDerWaalsContact CD1-CB 3.46Å; F298-A368 HydrophobicContact CD2-CB 4.16Å; F298-A368 HydrophobicContact CE1-CB 3.57Å; F298-A368 HydrophobicContact CE2-CB 4.27Å; F298-A368 HydrophobicContact CG-CB 3.77Å; F298-A368 HydrophobicContact CZ-CB 3.99Å; F298-A372 HydrophobicContact CB-CB 3.78Å; F298-A372 WeakPolarHBondContact O-CB 3.07Å
299G98Very high94.2Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-178.7158.1174.600000115.1M287 G311 W313M287-G299 WeakPolarHBondContact O-CA 3.43Å; G299-G311 PolarHBondContact N-O 2.92Å; G299-G311 VanDerWaalsContact N-O 3.13Å; G299-G311 PolarHBondContact O-N 3.08Å; G299-W313 PolarHBondContact O-NE1 3.45Å
300V98.1Very high94.2Very high4 Ų433.8 Ų33.82%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-99.9135.3173.7177.80000108.9Y286 M287 K308 Y309 E310 A369 A373Y286-V300 WeakPolarHBondContact CA-O 3.06Å; M287-V300 HydrophobicContact CE-CB 4.36Å; M287-V300 HydrophobicContact CE-CG1 4.06Å; M287-V300 PolarHBondContact N-O 3.47Å; M287-V300 PolarHBondContact O-N 3.27Å; V300-K308 VanDerWaalsContact CG1-CE 3.49Å; V300-K308 HydrophobicContact CG1-CG 4.32Å; V300-Y309 WeakPolarHBondContact CA-O 3.36Å; V300-E310 HydrophobicContact CG1-CG 4.22Å; V300-E310 HydrophobicContact CG2-CG 4.17Å; V300-A369 HydrophobicContact CG2-CB 4.26Å; V300-A373 HydrophobicContact CB-CB 4.06Å; V300-A373 HydrophobicContact CG2-CB 3.84Å
301C96.4Very high94.2Very high0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans-126.7135.9170.6-160.90000109.3L194 E284 V285 Y286 K308 Y309 W313L194-C301 HydrophobicContact CD2-CB 4.04Å; L194-C301 WeakPolarHBondContact CD2-O 3.28Å; E284-C301 VanDerWaalsContact CD-SG 3.58Å; E284-C301 VanDerWaalsContact CG-SG 3.52Å; V285-C301 CarbonylContact O-C 3.55Å; V285-C301 VanDerWaalsContact O-CA 3.29Å; V285-C301 WeakPolarHBondContact O-CA 3.34Å; V285-C301 PolarHBondContact O-SG 3.44Å; V285-C301 VanDerWaalsContact O-SG 3.33Å; Y286-C301 HydrophobicContact CD2-CB 3.92Å; C301-K308 CarbonylContact O-C 3.5Å; C301-K308 VanDerWaalsContact O-CA 3.32Å; C301-K308 WeakPolarHBondContact O-CA 3.32Å; C301-Y309 PolarHBondContact N-O 2.88Å; C301-Y309 PolarHBondContact O-N 3.04Å; C301-W313 HydrophobicContact CB-CH2 3.97Å; C301-W313 HydrophobicContact CB-CZ2 3.45Å; C301-W313 VanDerWaalsContact CB-CZ2 3.45Å
302E95.6Very high94.4Very high86 Ų8629.6 Ų29.640%0.40217%0.165SC..EExtended strand (participates in β ladder)trans-139.6131.4-174.5-165.1164.6137.300109.5E284 V285 K308E284-E302 CarbonylContact C-O 3.57Å; E284-E302 WeakPolarHBondContact CA-O 3.21Å; V285-E302 PolarHBondContact N-O 3.13Å; V285-E302 PolarHBondContact O-N 3.06Å; E302-K308 HydrophobicContact CB-CG 4.22Å; E302-K308 HydrophobicContact CG-CB 4.27Å; E302-K308 HydrophobicContact CG-CG 4.11Å; E302-K308 WeakPolarHBondContact OE2-CD 3.35Å; E302-K308 VanDerWaalsContact OE2-CE 3.3Å; E302-K308 WeakPolarHBondContact OE2-CE 3.44Å
303R92.5Very high94.7Very high7 Ų726.1 Ų26.13%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-102.3139.8168.9170.4169.552136-14.8108.2E276 A282 N283 D305 G306 L307E276-R303 IonicContact OE2-CZ 3.72Å; E276-R303 IonicContact OE2-NH1 3.78Å; E276-R303 IonicContact OE2-NH2 2.73Å; E276-R303 PolarHBondContact OE2-NH2 2.95Å; A282-R303 HydrophobicContact CB-CG 4.41Å; N283-R303 VanDerWaalsContact O-CA 3.28Å; N283-R303 WeakPolarHBondContact O-CA 3.44Å; R303-D305 WeakPolarHBondContact CD-OD2 3.39Å; R303-D305 HydrophobicContact CG-CB 3.97Å; R303-D305 WeakPolarHBondContact CG-OD1 3.39Å; R303-D305 IonicContact CZ-OD2 3.53Å; R303-D305 IonicContact NE-OD2 3.78Å; R303-D305 IonicContact NH1-OD2 2.69Å; R303-D305 PolarHBondContact NH1-OD2 3.35Å; R303-D305 PolarHBondContact O-N 2.74Å; R303-G306 PolarHBondContact O-N 3.39Å; R303-L307 HydrophobicContact CB-CB 4.41Å; R303-L307 PolarHBondContact N-O 3.31Å
304S92.5Very high95Very high71 Ų7131.7 Ų31.750%0.49717%0.168SC..THydrogen-bonded Turntrans-39.2-36.2173.340.90000114.9A282 N283 G306A282-S304 WeakPolarHBondContact CA-OG 3.44Å; A282-S304 WeakPolarHBondContact CB-OG 3.17Å; N283-S304 PolarHBondContact N-OG 3.2Å; N283-S304 PolarHBondContact O-N 3.48Å; N283-S304 PolarHBondContact O-OG 3.39Å; S304-G306 PolarHBondContact O-N 2.98Å
305D87.6Confident95Very high36 Ų3631.2 Ų31.219%0.19317%0.168CC..THydrogen-bonded Turntrans-7310.7-177.4-41.715.2000112.7D279 A282 R303 L307 K327D279-D305 PolarHBondContact N-OD2 2.99Å; A282-D305 WeakPolarHBondContact CB-OD1 3.24Å; R303-D305 WeakPolarHBondContact CD-OD2 3.39Å; R303-D305 HydrophobicContact CG-CB 3.97Å; R303-D305 WeakPolarHBondContact CG-OD1 3.39Å; R303-D305 IonicContact CZ-OD2 3.53Å; R303-D305 IonicContact NE-OD2 3.78Å; R303-D305 IonicContact NH1-OD2 2.69Å; R303-D305 PolarHBondContact NH1-OD2 3.35Å; R303-D305 PolarHBondContact O-N 2.74Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.44Å; D305-K327 WeakPolarHBondContact O-CB 3.35Å
306G90.6Very high94.8Very high36 Ų3631.3 Ų31.337%0.37117%0.17SC..SBendtrans81.6-2.8-179.300000115.5R303 S304 K308R303-G306 PolarHBondContact O-N 3.39Å; S304-G306 PolarHBondContact O-N 2.98Å; G306-K308 PolarHBondContact O-N 3.33Å
307L92.6Very high94.6Very high3 Ų333.6 Ų33.62%0.01618%0.178CC..  trans-75.6114.6174.8-178.871.2000110L194 A196 R303 D305 T324 T325 F326L194-L307 HydrophobicContact CD1-CD2 4.33Å; L194-L307 HydrophobicContact CD1-CG 4.43Å; L194-L307 HydrophobicContact CD2-CD2 4.47Å; L194-L307 HydrophobicContact CD2-CG 4.22Å; L194-L307 VanDerWaalsContact CD2-O 3.22Å; L194-L307 WeakPolarHBondContact CD2-O 3.4Å; L194-L307 HydrophobicContact CG-CD2 3.79Å; L194-L307 HydrophobicContact CG-CG 4.01Å; L194-L307 VanDerWaalsContact O-CD2 3.3Å; L194-L307 WeakPolarHBondContact O-CD2 3.32Å; A196-L307 HydrophobicContact CB-CD1 4.14Å; A196-L307 HydrophobicContact CB-CD2 3.96Å; R303-L307 HydrophobicContact CB-CB 4.41Å; R303-L307 PolarHBondContact N-O 3.31Å; D305-L307 VanDerWaalsContact C-N 3.32Å; D305-L307 PolarHBondContact O-N 3.44Å; L307-T324 HydrophobicContact CD1-CG2 3.63Å; L307-T325 WeakPolarHBondContact CA-O 3.48Å; L307-F326 HydrophobicContact CD1-CD1 3.73Å; L307-F326 HydrophobicContact CD1-CE1 4.26Å; L307-F326 HydrophobicContact CD1-CG 4.4Å
308K95.9Very high94.5Very high45 Ų4532.5 Ų32.520%0.19617%0.165CC..EExtended strand (participates in β ladder)trans-121.7147.7-179.8-165.9-174.9-177.4-1560111.2V300 C301 E302 G306 E310 T324 T325V300-K308 VanDerWaalsContact CG1-CE 3.49Å; V300-K308 HydrophobicContact CG1-CG 4.32Å; C301-K308 CarbonylContact O-C 3.5Å; C301-K308 VanDerWaalsContact O-CA 3.32Å; C301-K308 WeakPolarHBondContact O-CA 3.32Å; E302-K308 HydrophobicContact CB-CG 4.22Å; E302-K308 HydrophobicContact CG-CB 4.27Å; E302-K308 HydrophobicContact CG-CG 4.11Å; E302-K308 WeakPolarHBondContact OE2-CD 3.35Å; E302-K308 VanDerWaalsContact OE2-CE 3.3Å; E302-K308 WeakPolarHBondContact OE2-CE 3.44Å; G306-K308 PolarHBondContact O-N 3.33Å; K308-E310 HydrophobicContact CD-CG 4.13Å; K308-E310 WeakPolarHBondContact CD-OE2 3.08Å; K308-E310 VanDerWaalsContact CE-CD 3.46Å; K308-E310 VanDerWaalsContact CE-OE2 3.32Å; K308-E310 WeakPolarHBondContact CE-OE2 3.48Å; K308-E310 HydrophobicContact CG-CG 4.22Å; K308-E310 IonicContact NZ-OE1 2.69Å; K308-E310 PolarHBondContact NZ-OE1 3.49Å; K308-E310 VanDerWaalsContact NZ-OE1 3.14Å; K308-E310 IonicContact NZ-OE2 3.25Å; K308-E310 PolarHBondContact NZ-OE2 2.93Å; K308-T324 CarbonylContact O-C 3.5Å; K308-T324 VanDerWaalsContact O-CA 3.3Å; K308-T324 WeakPolarHBondContact O-CA 3.43Å; K308-T325 PolarHBondContact N-O 3.1Å; K308-T325 PolarHBondContact O-N 3.14Å
309Y96.4Very high94.3Very high0 Ų032.7 Ų32.70%017%0.166CC..EExtended strand (participates in β ladder)trans-132.1134.1166.4175.5-93.9000111.3V300 C301 E312 W313 K318 F319 V323 Y336V300-Y309 WeakPolarHBondContact CA-O 3.36Å; C301-Y309 PolarHBondContact N-O 2.88Å; C301-Y309 PolarHBondContact O-N 3.04Å; Y309-E312 PolarHBondContact OH-O 3.13Å; Y309-W313 AromaticContact CD1-CE2 3.54Å; Y309-W313 HydrophobicContact CD1-CH2 4.29Å; Y309-W313 AromaticContact CD1-CZ2 3.38Å; Y309-W313 HydrophobicContact CD1-CZ2 3.38Å; Y309-W313 AromaticContact CD1-NE1 3.57Å; Y309-W313 HydrophobicContact CE1-CD2 4.38Å; Y309-W313 AromaticContact CE1-CE2 3.71Å; Y309-W313 AromaticContact CE1-CZ2 3.98Å; Y309-W313 HydrophobicContact CE1-CZ2 3.98Å; Y309-W313 AromaticContact CE1-NE1 3.56Å; Y309-W313 HydrophobicContact CG-CZ2 4.25Å; Y309-K318 HydrophobicContact CD1-CG 4.25Å; Y309-K318 HydrophobicContact CD2-CD 3.62Å; Y309-K318 HydrophobicContact CD2-CG 3.95Å; Y309-K318 HydrophobicContact CE1-CB 4.27Å; Y309-K318 HydrophobicContact CE1-CG 4.16Å; Y309-K318 HydrophobicContact CE2-CB 3.93Å; Y309-K318 HydrophobicContact CE2-CD 3.76Å; Y309-K318 HydrophobicContact CE2-CG 3.85Å; Y309-K318 HydrophobicContact CG-CD 4.13Å; Y309-K318 HydrophobicContact CG-CG 4.12Å; Y309-F319 PolarHBondContact OH-O 3.39Å; Y309-F319 VanDerWaalsContact OH-O 3.06Å; Y309-V323 VanDerWaalsContact CA-O 3.32Å; Y309-V323 WeakPolarHBondContact CA-O 3.35Å; Y309-Y336 AromaticContact CE2-CD2 3.83Å; Y309-Y336 HydrophobicContact CE2-CD2 3.83Å; Y309-Y336 HydrophobicContact CE2-CE1 4.4Å; Y309-Y336 AromaticContact CE2-CE2 3.74Å; Y309-Y336 HydrophobicContact CE2-CE2 3.74Å; Y309-Y336 HydrophobicContact CE2-CG 4.23Å
310E97.8Very high94.1Very high21 Ų2132.9 Ų32.910%0.09817%0.168CC..EExtended strand (participates in β ladder)trans-129.4112.5-178.7-54.6-178.769.700108.5V300 K308 G322 V323 V366 N370V300-E310 HydrophobicContact CG1-CG 4.22Å; V300-E310 HydrophobicContact CG2-CG 4.17Å; K308-E310 HydrophobicContact CD-CG 4.13Å; K308-E310 WeakPolarHBondContact CD-OE2 3.08Å; K308-E310 VanDerWaalsContact CE-CD 3.46Å; K308-E310 VanDerWaalsContact CE-OE2 3.32Å; K308-E310 WeakPolarHBondContact CE-OE2 3.48Å; K308-E310 HydrophobicContact CG-CG 4.22Å; K308-E310 IonicContact NZ-OE1 2.69Å; K308-E310 PolarHBondContact NZ-OE1 3.49Å; K308-E310 VanDerWaalsContact NZ-OE1 3.14Å; K308-E310 IonicContact NZ-OE2 3.25Å; K308-E310 PolarHBondContact NZ-OE2 2.93Å; E310-G322 CarbonylContact O-C 3.44Å; E310-G322 WeakPolarHBondContact O-CA 3.44Å; E310-V323 PolarHBondContact N-O 3.05Å; E310-V323 PolarHBondContact O-N 3.48Å; E310-V366 HydrophobicContact CB-CG1 4.27Å; E310-V366 HydrophobicContact CB-CG2 4.3Å; E310-N370 PolarHBondContact OE1-ND2 2.79Å
311G97.2Very high94.1Very high0 Ų034.6 Ų34.60%017%0.174CC..EExtended strand (participates in β ladder)trans162.3-153.9179.400000114.6G299 Y321 A369G299-G311 PolarHBondContact N-O 2.92Å; G299-G311 VanDerWaalsContact N-O 3.13Å; G299-G311 PolarHBondContact O-N 3.08Å; G311-Y321 WeakPolarHBondContact CA-O 3.4Å; G311-A369 VanDerWaalsContact N-CB 3.34Å
312E97.8Very high94Very high47 Ų4734.6 Ų34.622%0.2217%0.174CC..EExtended strand (participates in β ladder)trans-79.1145.4178.2-71.2171.4-10600112.7G297 F298 Y309 F319 G320 Y321G297-E312 CarbonylContact O-C 3.58Å; G297-E312 WeakPolarHBondContact O-CA 3.29Å; F298-E312 HydrophobicContact CD1-CG 3.86Å; F298-E312 HydrophobicContact CE1-CG 3.37Å; F298-E312 HydrophobicContact CZ-CG 3.91Å; Y309-E312 PolarHBondContact OH-O 3.13Å; E312-F319 WeakPolarHBondContact CB-O 3.04Å; E312-F319 PolarHBondContact O-N 3.37Å; E312-F319 VanDerWaalsContact O-O 3.12Å; E312-G320 VanDerWaalsContact CD-CA 3.42Å; E312-G320 WeakPolarHBondContact OE1-CA 3.41Å; E312-G320 WeakPolarHBondContact OE2-CA 3.23Å; E312-Y321 PolarHBondContact N-O 2.78Å; E312-Y321 VanDerWaalsContact N-O 3.09Å; E312-Y321 WeakPolarHBondContact OE1-CD2 3.28Å; E312-Y321 PolarHBondContact OE1-N 3.32Å
313W96.1Very high94Very high6 Ų631 Ų312%0.02316%0.158CC..EExtended strand (participates in β ladder)trans-128143.1179.4-71.486.7000110.6V193 Y286 R295 S296 G297 G299 C301 Y309V193-W313 HydrophobicContact CG1-CH2 4.19Å; V193-W313 HydrophobicContact CG1-CZ3 3.67Å; Y286-W313 HydrophobicContact CD2-CZ2 4.39Å; Y286-W313 AromaticContact CE2-CD1 3.92Å; Y286-W313 HydrophobicContact CE2-CD2 4.02Å; Y286-W313 AromaticContact CE2-CE2 3.72Å; Y286-W313 HydrophobicContact CE2-CG 4.14Å; Y286-W313 HydrophobicContact CE2-CZ2 4.23Å; Y286-W313 AromaticContact CE2-NE1 3.65Å; R295-W313 HydrophobicContact CB-CD2 4.4Å; R295-W313 HydrophobicContact CB-CE3 4.16Å; S296-W313 CarbonylContact C-O 3.57Å; S296-W313 WeakPolarHBondContact CA-O 3.46Å; G297-W313 PolarHBondContact N-O 3.31Å; G297-W313 PolarHBondContact O-N 3.27Å; G299-W313 PolarHBondContact O-NE1 3.45Å; C301-W313 HydrophobicContact CB-CH2 3.97Å; C301-W313 HydrophobicContact CB-CZ2 3.45Å; C301-W313 VanDerWaalsContact CB-CZ2 3.45Å; Y309-W313 AromaticContact CD1-CE2 3.54Å; Y309-W313 HydrophobicContact CD1-CH2 4.29Å; Y309-W313 AromaticContact CD1-CZ2 3.38Å; Y309-W313 HydrophobicContact CD1-CZ2 3.38Å; Y309-W313 AromaticContact CD1-NE1 3.57Å; Y309-W313 HydrophobicContact CE1-CD2 4.38Å; Y309-W313 AromaticContact CE1-CE2 3.71Å; Y309-W313 AromaticContact CE1-CZ2 3.98Å; Y309-W313 HydrophobicContact CE1-CZ2 3.98Å; Y309-W313 AromaticContact CE1-NE1 3.56Å; Y309-W313 HydrophobicContact CG-CZ2 4.25Å
314Y94.8Very high94.1Very high125 Ų12530.7 Ų30.749%0.4916%0.157SC..EExtended strand (participates in β ladder)trans-145.3122.9171.5-177.4-105000110.2N316 K317Y314-N316 PolarHBondContact O-N 3.32Å; Y314-K317 PolarHBondContact N-O 3.01Å; Y314-K317 PolarHBondContact O-N 3.43Å
315N89.7Confident94.2Very high60 Ų6028.2 Ų28.232%0.32114%0.139SC..THydrogen-bonded Turntrans47.553.7177.9-72.6-24.3000113.5K294 R295 K317K294-N315 HydrophobicContact CD-CB 4.16Å; R295-N315 PolarHBondContact O-N 3.07Å; N315-K317 VanDerWaalsContact C-N 3.29Å; N315-K317 PolarHBondContact O-N 2.92Å
316N90.2Very high94.4Very high7 Ų727.9 Ų27.94%0.03714%0.136CC..THydrogen-bonded Turntrans62.621.4-176.6-67.4-37.1000115.4V193 R295 Y314V193-N316 WeakPolarHBondContact CG1-O 3.49Å; V193-N316 HydrophobicContact CG2-CB 4.3Å; R295-N316 WeakPolarHBondContact CG-OD1 3.42Å; R295-N316 PolarHBondContact N-OD1 3.25Å; R295-N316 PolarHBondContact NH1-OD1 3.11Å; R295-N316 PolarHBondContact O-N 2.9Å; Y314-N316 PolarHBondContact O-N 3.32Å
317K91.5Very high94.3Very high59 Ų5932.5 Ų32.526%0.25715%0.146SC..EExtended strand (participates in β ladder)trans-131.1143.2-178.9-57.3179.6-169.3-1730111E187 Y314 N315 F319 N339E187-K317 VanDerWaalsContact OE1-CE 3.26Å; E187-K317 WeakPolarHBondContact OE1-CE 3.34Å; E187-K317 IonicContact OE1-NZ 3.15Å; E187-K317 PolarHBondContact OE1-NZ 2.98Å; E187-K317 WeakPolarHBondContact OE2-CE 3.03Å; E187-K317 IonicContact OE2-NZ 3.67Å; E187-K317 PolarHBondContact OE2-NZ 3.3Å; Y314-K317 PolarHBondContact N-O 3.01Å; Y314-K317 PolarHBondContact O-N 3.43Å; N315-K317 VanDerWaalsContact C-N 3.29Å; N315-K317 PolarHBondContact O-N 2.92Å; K317-F319 PolarHBondContact O-N 2.94Å; K317-N339 WeakPolarHBondContact CA-OD1 3.3Å
318K94Very high94.1Very high4 Ų438.1 Ų38.12%0.01718%0.176CC..EExtended strand (participates in β ladder)trans-58129.6173.9-54.8176.4-177.7176.60108.3R195 Y309 T324 Y336 N338 N339R195-K318 PolarHBondContact O-NZ 3.1Å; Y309-K318 HydrophobicContact CD1-CG 4.25Å; Y309-K318 HydrophobicContact CD2-CD 3.62Å; Y309-K318 HydrophobicContact CD2-CG 3.95Å; Y309-K318 HydrophobicContact CE1-CB 4.27Å; Y309-K318 HydrophobicContact CE1-CG 4.16Å; Y309-K318 HydrophobicContact CE2-CB 3.93Å; Y309-K318 HydrophobicContact CE2-CD 3.76Å; Y309-K318 HydrophobicContact CE2-CG 3.85Å; Y309-K318 HydrophobicContact CG-CD 4.13Å; Y309-K318 HydrophobicContact CG-CG 4.12Å; K318-T324 PolarHBondContact NZ-OG1 3.22Å; K318-Y336 HydrophobicContact CB-CD1 3.93Å; K318-Y336 HydrophobicContact CB-CG 4.1Å; K318-Y336 HydrophobicContact CD-CD1 3.94Å; K318-Y336 HydrophobicContact CD-CE1 3.85Å; K318-N338 PolarHBondContact O-N 2.91Å; K318-N339 PolarHBondContact N-OD1 2.91Å; K318-N339 PolarHBondContact O-N 3.18Å; K318-N339 VanDerWaalsContact O-N 3.1Å
319F94.1Very high93.8Very high70 Ų7038.4 Ų38.431%0.30719%0.191SC..EExtended strand (participates in β ladder)trans-140.4178.7-173.7-163.7-101.1000110.5Y309 E312 K317 Y321 Y336 K337Y309-F319 PolarHBondContact OH-O 3.39Å; Y309-F319 VanDerWaalsContact OH-O 3.06Å; E312-F319 WeakPolarHBondContact CB-O 3.04Å; E312-F319 PolarHBondContact O-N 3.37Å; E312-F319 VanDerWaalsContact O-O 3.12Å; K317-F319 PolarHBondContact O-N 2.94Å; F319-Y321 PolarHBondContact O-N 2.76Å; F319-Y336 CarbonylContact C-O 3.58Å; F319-K337 HydrophobicContact CD2-CG 4.49Å; F319-K337 HydrophobicContact CE2-CG 4.16Å
320G95.1Very high93.5Very high3 Ų340 Ų403%0.03120%0.203CC..EExtended strand (participates in β ladder)trans55.1-137.3167.800000113.8E312 K335 Y336E312-G320 VanDerWaalsContact CD-CA 3.42Å; E312-G320 WeakPolarHBondContact OE1-CA 3.41Å; E312-G320 WeakPolarHBondContact OE2-CA 3.23Å; G320-K335 CarbonylContact O-C 3.55Å; G320-K335 VanDerWaalsContact O-CA 3.23Å; G320-K335 WeakPolarHBondContact O-CA 3.36Å; G320-K335 WeakPolarHBondContact O-CG 3.32Å; G320-Y336 PolarHBondContact N-O 2.98Å; G320-Y336 VanDerWaalsContact N-O 3.09Å; G320-Y336 PolarHBondContact O-N 2.93Å
321Y96.5Very high93.2Very high40 Ų4044.1 Ų44.116%0.15722%0.22CC..EExtended strand (participates in β ladder)trans-103149.6170.7-53.1-89.5000111.4G311 E312 F319 G334 K335 L358 R361 I362 A365G311-Y321 WeakPolarHBondContact CA-O 3.4Å; E312-Y321 PolarHBondContact N-O 2.78Å; E312-Y321 VanDerWaalsContact N-O 3.09Å; E312-Y321 WeakPolarHBondContact OE1-CD2 3.28Å; E312-Y321 PolarHBondContact OE1-N 3.32Å; F319-Y321 PolarHBondContact O-N 2.76Å; Y321-G334 WeakPolarHBondContact CA-O 3.4Å; Y321-K335 HydrophobicContact CD1-CB 3.99Å; Y321-K335 HydrophobicContact CD1-CG 4.1Å; Y321-K335 HydrophobicContact CE1-CB 4Å; Y321-K335 HydrophobicContact CE1-CD 4.03Å; Y321-K335 HydrophobicContact CE1-CG 3.98Å; Y321-L358 HydrophobicContact CD1-CD1 4.08Å; Y321-L358 HydrophobicContact CE1-CD1 3.88Å; Y321-R361 HydrophobicContact CD1-CB 4.06Å; Y321-R361 HydrophobicContact CD2-CB 4.18Å; Y321-R361 HydrophobicContact CE1-CB 4.08Å; Y321-R361 HydrophobicContact CE2-CB 4.21Å; Y321-R361 HydrophobicContact CG-CB 4.11Å; Y321-R361 PolarHBondContact OH-NH1 2.94Å; Y321-R361 VanDerWaalsContact OH-NH1 3.14Å; Y321-I362 HydrophobicContact CD1-CG1 4.46Å; Y321-A365 WeakPolarHBondContact O-CB 3.46Å
322G95.8Very high92.9Very high0 Ų046.3 Ų46.30%023%0.231CC..EExtended strand (participates in β ladder)trans178.2-176177.400000114.1E310 G334E310-G322 CarbonylContact O-C 3.44Å; E310-G322 WeakPolarHBondContact O-CA 3.44Å; G322-G334 PolarHBondContact N-O 3.4Å; G322-G334 VanDerWaalsContact N-O 3.08Å; G322-G334 PolarHBondContact O-N 3.5Å; G322-G334 VanDerWaalsContact O-N 3.1Å
323V95.5Very high92.6Very high11 Ų1145.8 Ų45.87%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-132.5124.4179.9-177.70000109.1Y309 E310 K331 E332 E333 I362 V366Y309-V323 VanDerWaalsContact CA-O 3.32Å; Y309-V323 WeakPolarHBondContact CA-O 3.35Å; E310-V323 PolarHBondContact N-O 3.05Å; E310-V323 PolarHBondContact O-N 3.48Å; V323-K331 HydrophobicContact CG1-CB 4.17Å; V323-K331 HydrophobicContact CG1-CD 4.18Å; V323-K331 HydrophobicContact CG1-CG 4.44Å; V323-E332 WeakPolarHBondContact CA-O 3.49Å; V323-E333 HydrophobicContact CG1-CB 4.39Å; V323-E333 HydrophobicContact CG2-CB 3.81Å; V323-I362 HydrophobicContact CG2-CG2 3.54Å; V323-V366 HydrophobicContact CB-CG2 4.23Å; V323-V366 HydrophobicContact CG2-CG2 3.57Å
324T94.8Very high92.4Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-90.7126.6159.7-55.50000107.7L307 K308 K318 F326 K331 E332 Y336L307-T324 HydrophobicContact CD1-CG2 3.63Å; K308-T324 CarbonylContact O-C 3.5Å; K308-T324 VanDerWaalsContact O-CA 3.3Å; K308-T324 WeakPolarHBondContact O-CA 3.43Å; K318-T324 PolarHBondContact NZ-OG1 3.22Å; T324-F326 HydrophobicContact CG2-CD1 4.32Å; T324-F326 HydrophobicContact CG2-CE1 4.02Å; T324-F326 HydrophobicContact CG2-CE2 4.3Å; T324-F326 HydrophobicContact CG2-CZ 4.01Å; T324-K331 CarbonylContact O-C 3.56Å; T324-K331 VanDerWaalsContact O-CA 3.31Å; T324-K331 WeakPolarHBondContact O-CA 3.15Å; T324-E332 PolarHBondContact N-O 2.9Å; T324-E332 PolarHBondContact O-N 2.77Å; T324-Y336 WeakPolarHBondContact CB-OH 3.43Å; T324-Y336 PolarHBondContact N-OH 2.82Å; T324-Y336 PolarHBondContact OG1-OH 2.87Å
325T94.5Very high92.4Very high20 Ų2043.6 Ų43.612%0.12322%0.221CC..EExtended strand (participates in β ladder)trans-104.1128.9165.5-56.80000107.9L307 K308 S330 K331L307-T325 WeakPolarHBondContact CA-O 3.48Å; K308-T325 PolarHBondContact N-O 3.1Å; K308-T325 PolarHBondContact O-N 3.14Å; T325-S330 WeakPolarHBondContact CA-O 3.45Å; T325-K331 HydrophobicContact CG2-CD 4.48Å; T325-K331 HydrophobicContact CG2-CG 4.09Å; T325-K331 WeakPolarHBondContact OG1-CE 3.49Å
326F91.6Very high92.5Very high29 Ų2940.8 Ų40.813%0.12721%0.206CC..  trans-94.3169.2-177.4-63.6-84.3000112A196 L307 T324 D328 G329 S330 E332A196-F326 HydrophobicContact CB-CD1 4.1Å; A196-F326 HydrophobicContact CB-CE1 3.93Å; L307-F326 HydrophobicContact CD1-CD1 3.73Å; L307-F326 HydrophobicContact CD1-CE1 4.26Å; L307-F326 HydrophobicContact CD1-CG 4.4Å; T324-F326 HydrophobicContact CG2-CD1 4.32Å; T324-F326 HydrophobicContact CG2-CE1 4.02Å; T324-F326 HydrophobicContact CG2-CE2 4.3Å; T324-F326 HydrophobicContact CG2-CZ 4.01Å; F326-D328 VanDerWaalsContact CB-OD1 3.24Å; F326-D328 WeakPolarHBondContact CB-OD1 3.38Å; F326-D328 PolarHBondContact O-N 3.07Å; F326-D328 VanDerWaalsContact O-N 3.16Å; F326-G329 WeakPolarHBondContact O-CA 3.35Å; F326-G329 PolarHBondContact O-N 2.97Å; F326-S330 WeakPolarHBondContact CD2-O 3.48Å; F326-S330 WeakPolarHBondContact CD2-OG 3.35Å; F326-S330 PolarHBondContact N-O 2.84Å; F326-E332 HydrophobicContact CE2-CB 3.71Å; F326-E332 HydrophobicContact CE2-CG 3.75Å; F326-E332 HydrophobicContact CZ-CB 4.12Å; F326-E332 HydrophobicContact CZ-CG 4.05Å
327K88.5Confident92.6Very high133 Ų13345.7 Ų45.758%0.57823%0.227SC*.THydrogen-bonded Turntrans-60.8-19.3179.467.6-179.1178.51790115.4D305 G329D305-K327 WeakPolarHBondContact O-CB 3.35Å; K327-G329 VanDerWaalsContact C-N 3.31Å
328D88.8Confident92.5Very high120 Ų12047.1 Ų47.164%0.64224%0.238SC*.THydrogen-bonded Turntrans-89.26.1173.268.9-16.7000113F326 S330F326-D328 VanDerWaalsContact CB-OD1 3.24Å; F326-D328 WeakPolarHBondContact CB-OD1 3.38Å; F326-D328 PolarHBondContact O-N 3.07Å; F326-D328 VanDerWaalsContact O-N 3.16Å; D328-S330 VanDerWaalsContact CG-OG 3.3Å; D328-S330 PolarHBondContact O-N 2.99Å; D328-S330 WeakPolarHBondContact OD1-CB 3.3Å; D328-S330 PolarHBondContact OD1-N 3.48Å; D328-S330 PolarHBondContact OD1-OG 2.89Å; D328-S330 WeakPolarHBondContact OD2-CB 3.32Å; D328-S330 PolarHBondContact OD2-OG 2.95Å; D328-S330 VanDerWaalsContact OD2-OG 3.14Å
329G89.1Confident92.2Very high51 Ų5149.2 Ų49.253%0.52625%0.249SC..SBendtrans75.2-4.3-173.800000114.5F326 K327F326-G329 WeakPolarHBondContact O-CA 3.35Å; F326-G329 PolarHBondContact O-N 2.97Å; K327-G329 VanDerWaalsContact C-N 3.31Å
330S90.7Very high91.9Very high35 Ų3548.3 Ų48.325%0.24525%0.247CC..  trans-70.9158.3177.881.40000111.3T325 F326 D328T325-S330 WeakPolarHBondContact CA-O 3.45Å; F326-S330 WeakPolarHBondContact CD2-O 3.48Å; F326-S330 WeakPolarHBondContact CD2-OG 3.35Å; F326-S330 PolarHBondContact N-O 2.84Å; D328-S330 VanDerWaalsContact CG-OG 3.3Å; D328-S330 PolarHBondContact O-N 2.99Å; D328-S330 WeakPolarHBondContact OD1-CB 3.3Å; D328-S330 PolarHBondContact OD1-N 3.48Å; D328-S330 PolarHBondContact OD1-OG 2.89Å; D328-S330 WeakPolarHBondContact OD2-CB 3.32Å; D328-S330 PolarHBondContact OD2-OG 2.95Å; D328-S330 VanDerWaalsContact OD2-OG 3.14Å
331K91.3Very high91.5Very high106 Ų10649.5 Ų49.546%0.46125%0.252SS..EExtended strand (participates in β ladder)trans-130134.3-173.6-58.6-170.4179.4-172.50113.6V323 T324 T325 R346V323-K331 HydrophobicContact CG1-CB 4.17Å; V323-K331 HydrophobicContact CG1-CD 4.18Å; V323-K331 HydrophobicContact CG1-CG 4.44Å; T324-K331 CarbonylContact O-C 3.56Å; T324-K331 VanDerWaalsContact O-CA 3.31Å; T324-K331 WeakPolarHBondContact O-CA 3.15Å; T325-K331 HydrophobicContact CG2-CD 4.48Å; T325-K331 HydrophobicContact CG2-CG 4.09Å; T325-K331 WeakPolarHBondContact OG1-CE 3.49Å; K331-R346 PolarHBondContact O-NH2 3.43Å
332E90.3Very high90.9Very high47 Ų4752.2 Ų52.222%0.2227%0.269CS..EExtended strand (participates in β ladder)trans-106.897.4166.9-99.5-179.6-149.300109.3S198 V323 T324 F326 Y336 L341S198-E332 PolarHBondContact OG-OE2 2.95Å; V323-E332 WeakPolarHBondContact CA-O 3.49Å; T324-E332 PolarHBondContact N-O 2.9Å; T324-E332 PolarHBondContact O-N 2.77Å; F326-E332 HydrophobicContact CE2-CB 3.71Å; F326-E332 HydrophobicContact CE2-CG 3.75Å; F326-E332 HydrophobicContact CZ-CB 4.12Å; F326-E332 HydrophobicContact CZ-CG 4.05Å; E332-Y336 PolarHBondContact O-OH 3.07Å; E332-L341 HydrophobicContact CB-CD2 3.95Å; E332-L341 HydrophobicContact CG-CD2 3.75Å
333E92.3Very high90Very high36 Ų3655.7 Ų55.717%0.16829%0.291CS..EExtended strand (participates in β ladder)trans-105.9142.6177.164.2178.9-123.800111.9V323 Q345 R359 I362V323-E333 HydrophobicContact CG1-CB 4.39Å; V323-E333 HydrophobicContact CG2-CB 3.81Å; E333-Q345 HydrophobicContact CG-CG 4.15Å; E333-R359 IonicContact OE1-CZ 3.91Å; E333-R359 IonicContact OE1-NH1 3.58Å; E333-R359 PolarHBondContact OE1-NH1 3.42Å; E333-R359 IonicContact OE2-CZ 3.84Å; E333-R359 IonicContact OE2-NH1 3.08Å; E333-R359 PolarHBondContact OE2-NH1 3.03Å; E333-I362 HydrophobicContact CB-CD1 4.29Å; E333-I362 HydrophobicContact CB-CG2 4.22Å; E333-I362 HydrophobicContact CG-CD1 4.46Å
334G91.4Very high88.7Confident0 Ų057 Ų570%030%0.3CS..EExtended strand (participates in β ladder)trans154.8-154.3-179.200000114.9Y321 G322 T343Y321-G334 WeakPolarHBondContact CA-O 3.4Å; G322-G334 PolarHBondContact N-O 3.4Å; G322-G334 VanDerWaalsContact N-O 3.08Å; G322-G334 PolarHBondContact O-N 3.5Å; G322-G334 VanDerWaalsContact O-N 3.1Å; G334-T343 WeakPolarHBondContact CA-O 3.49Å
335K94.1Very high87.1Confident84 Ų8459.7 Ų59.737%0.36531%0.313SS..EExtended strand (participates in β ladder)trans-101.2119178-164.5-179-177.3170.90111.5G320 Y321 L342 T343G320-K335 CarbonylContact O-C 3.55Å; G320-K335 VanDerWaalsContact O-CA 3.23Å; G320-K335 WeakPolarHBondContact O-CA 3.36Å; G320-K335 WeakPolarHBondContact O-CG 3.32Å; Y321-K335 HydrophobicContact CD1-CB 3.99Å; Y321-K335 HydrophobicContact CD1-CG 4.1Å; Y321-K335 HydrophobicContact CE1-CB 4Å; Y321-K335 HydrophobicContact CE1-CD 4.03Å; Y321-K335 HydrophobicContact CE1-CG 3.98Å; K335-L342 WeakPolarHBondContact O-CB 3.38Å; K335-L342 PolarHBondContact O-N 3.37Å; K335-T343 PolarHBondContact N-O 2.88Å
336Y92.4Very high85.4Confident1 Ų166.4 Ų66.40%0.00434%0.336CS..EExtended strand (participates in β ladder)trans-95.6152177.3-69-96.7000112Y309 K318 F319 G320 T324 E332 I340 L341Y309-Y336 AromaticContact CE2-CD2 3.83Å; Y309-Y336 HydrophobicContact CE2-CD2 3.83Å; Y309-Y336 HydrophobicContact CE2-CE1 4.4Å; Y309-Y336 AromaticContact CE2-CE2 3.74Å; Y309-Y336 HydrophobicContact CE2-CE2 3.74Å; Y309-Y336 HydrophobicContact CE2-CG 4.23Å; K318-Y336 HydrophobicContact CB-CD1 3.93Å; K318-Y336 HydrophobicContact CB-CG 4.1Å; K318-Y336 HydrophobicContact CD-CD1 3.94Å; K318-Y336 HydrophobicContact CD-CE1 3.85Å; F319-Y336 CarbonylContact C-O 3.58Å; G320-Y336 PolarHBondContact N-O 2.98Å; G320-Y336 VanDerWaalsContact N-O 3.09Å; G320-Y336 PolarHBondContact O-N 2.93Å; T324-Y336 WeakPolarHBondContact CB-OH 3.43Å; T324-Y336 PolarHBondContact N-OH 2.82Å; T324-Y336 PolarHBondContact OG1-OH 2.87Å; E332-Y336 PolarHBondContact O-OH 3.07Å; Y336-I340 CarbonylContact C-O 3.39Å; Y336-I340 WeakPolarHBondContact CA-O 2.98Å; Y336-L341 HydrophobicContact CD1-CB 4.33Å; Y336-L341 HydrophobicContact CD1-CD1 4.45Å; Y336-L341 HydrophobicContact CD2-CD1 4.12Å; Y336-L341 HydrophobicContact CE1-CB 4.1Å; Y336-L341 HydrophobicContact CE1-CD1 4.22Å; Y336-L341 HydrophobicContact CE2-CD1 3.84Å; Y336-L341 HydrophobicContact CG-CD1 4.41Å
337K92.5Very high83.6Confident110 Ų11074.2 Ų74.248%0.47837%0.37SS..EExtended strand (participates in β ladder)trans-149.3123.7164.6-176.9-177.9178.6-1730108.8F319 N339 I340 L342F319-K337 HydrophobicContact CD2-CG 4.49Å; F319-K337 HydrophobicContact CE2-CG 4.16Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.06Å; K337-I340 PolarHBondContact N-O 3Å; K337-I340 PolarHBondContact O-N 3.2Å; K337-L342 HydrophobicContact CB-CD1 3.6Å; K337-L342 HydrophobicContact CB-CD2 4.42Å; K337-L342 HydrophobicContact CB-CG 3.99Å; K337-L342 HydrophobicContact CD-CD1 4.25Å
338N88.3Confident81.8Confident90 Ų9077 Ų7748%0.48138%0.382SS..THydrogen-bonded Turntrans5248.9178.5-56.57.2000111.9K318 I340K318-N338 PolarHBondContact O-N 2.91Å; N338-I340 PolarHBondContact O-N 3.31Å; N338-I340 VanDerWaalsContact O-N 3.16Å
339N88.5Confident79.9Confident48 Ų4879.2 Ų79.226%0.25739%0.388SS..THydrogen-bonded Turntrans69.8-13.4-173.8-56.2-36.9000117.1S198 K317 K318 K337S198-N339 WeakPolarHBondContact CB-O 3.32Å; K317-N339 WeakPolarHBondContact CA-OD1 3.3Å; K318-N339 PolarHBondContact N-OD1 2.91Å; K318-N339 PolarHBondContact O-N 3.18Å; K318-N339 VanDerWaalsContact O-N 3.1Å; K337-N339 VanDerWaalsContact C-N 3.32Å; K337-N339 PolarHBondContact O-N 3.06Å
340I87.5Confident77.9Confident50 Ų5083.9 Ų83.926%0.25640%0.4SS..EExtended strand (participates in β ladder)trans-88.7135-179.3-60.3166.8000110.7P200 Y336 K337 N338 L342P200-I340 HydrophobicContact CB-CD1 4.2Å; Y336-I340 CarbonylContact C-O 3.39Å; Y336-I340 WeakPolarHBondContact CA-O 2.98Å; K337-I340 PolarHBondContact N-O 3Å; K337-I340 PolarHBondContact O-N 3.2Å; N338-I340 PolarHBondContact O-N 3.31Å; N338-I340 VanDerWaalsContact O-N 3.16Å; I340-L342 PolarHBondContact O-N 2.67Å
341L87.7Confident75.9Confident28 Ų2888.1 Ų88.115%0.14742%0.42CS..EExtended strand (participates in β ladder)trans-82.7104.6176.1-178.458.3000110.6S198 E332 Y336S198-L341 WeakPolarHBondContact OG-CB 3.43Å; E332-L341 HydrophobicContact CB-CD2 3.95Å; E332-L341 HydrophobicContact CG-CD2 3.75Å; Y336-L341 HydrophobicContact CD1-CB 4.33Å; Y336-L341 HydrophobicContact CD1-CD1 4.45Å; Y336-L341 HydrophobicContact CD2-CD1 4.12Å; Y336-L341 HydrophobicContact CE1-CB 4.1Å; Y336-L341 HydrophobicContact CE1-CD1 4.22Å; Y336-L341 HydrophobicContact CE2-CD1 3.84Å; Y336-L341 HydrophobicContact CG-CD1 4.41Å
342L84.4Confident74.1Confident98 Ų9891.9 Ų91.951%0.51344%0.436SS..EExtended strand (participates in β ladder)trans-76.3-27.2-176.2-63-178.8000113.9K335 K337 I340K335-L342 WeakPolarHBondContact O-CB 3.38Å; K335-L342 PolarHBondContact O-N 3.37Å; K337-L342 HydrophobicContact CB-CD1 3.6Å; K337-L342 HydrophobicContact CB-CD2 4.42Å; K337-L342 HydrophobicContact CB-CG 3.99Å; K337-L342 HydrophobicContact CD-CD1 4.25Å; I340-L342 PolarHBondContact O-N 2.67Å
343T74.9Confident72.1Confident73 Ų7395.7 Ų95.745%0.44846%0.462SS..EExtended strand (participates in β ladder)trans-154110.3-175.1-55.80000109.4G334 K335 L358G334-T343 WeakPolarHBondContact CA-O 3.49Å; K335-T343 PolarHBondContact N-O 2.88Å; T343-L358 HydrophobicContact CG2-CD2 3.88Å
344S68.3Low70.4Confident38 Ų38102.8 Ų102.827%0.26649%0.487SS..EExtended strand (participates in β ladder)trans-104.4146.2174.3179.80000110.8R346S344-R346 PolarHBondContact O-N 2.81Å; S344-R346 VanDerWaalsContact O-N 3.16Å; S344-R346 PolarHBondContact OG-N 2.92Å
345Q61.9Low69.2Low56 Ų56105 Ų10526%0.26250%0.503SS..THydrogen-bonded Turntrans-62.7-14.7173-64-76.719.100113.5E333 K347 S355 L358E333-Q345 HydrophobicContact CG-CG 4.15Å; Q345-K347 VanDerWaalsContact C-N 3.28Å; Q345-K347 PolarHBondContact O-N 2.89Å; Q345-S355 PolarHBondContact NE2-O 3.34Å; Q345-L358 HydrophobicContact CG-CD2 4.44Å
346R58.4Low68.5Low161 Ų161104.4 Ų104.461%0.60851%0.509SS*.THydrogen-bonded Turntrans-71.7-5.7-172.4-66.9-170-177.5-170.35.4115.9K331 S344 K348K331-R346 PolarHBondContact O-NH2 3.43Å; S344-R346 PolarHBondContact O-N 2.81Å; S344-R346 VanDerWaalsContact O-N 3.16Å; S344-R346 PolarHBondContact OG-N 2.92Å; R346-K348 PolarHBondContact O-N 3.07Å
347K55.3Low68.2Low193 Ų193111 Ų11184%0.83954%0.538SS*.  trans-80.380.5176-73.6-167174.7-175.40111.8Q345 H349Q345-K347 VanDerWaalsContact C-N 3.28Å; Q345-K347 PolarHBondContact O-N 2.89Å; K347-H349 PolarHBondContact O-N 3.02Å
348K49.1Very low67.9Low192 Ų192107.1 Ų107.184%0.83552%0.523SS*.  trans-67.521.4-173.2-69.3-171.6173.1-175.10117.5R346R346-K348 PolarHBondContact O-N 3.07Å
349H48.7Very low68Low166 Ų166107.5 Ų107.577%0.76952%0.517SS*.SBendtrans-135.9133.5179.3-107.1-103.2000113.6K347K347-H349 PolarHBondContact O-N 3.02Å
350L47.2Very low68.2Low149 Ų149111.3 Ų111.378%0.7853%0.533SS*.SBendtrans68.5127.7179.9-7372.3000116.5
351L49Very low68.5Low125 Ų125115.4 Ų115.465%0.65455%0.546SS*.  trans72.468.5168-50.8-179.5000118V353L351-V353 PolarHBondContact O-N 3.01Å
352F53.4Low68.9Low184 Ų184114.1 Ų114.181%0.80754%0.539SS*.G310 helixtrans-54.3-15.5175.7-100.7-98.6000117R354 S355F352-R354 VanDerWaalsContact C-N 3.32Å; F352-R354 PolarHBondContact O-N 3.32Å; F352-S355 PolarHBondContact O-OG 3.06Å; F352-S355 VanDerWaalsContact O-OG 3.1Å
353V48.6Very low69.4Low127 Ų127112.6 Ų112.677%0.7753%0.531SS*.G310 helixtrans-76.2-14.5-173-1760000113.5L351L351-V353 PolarHBondContact O-N 3.01Å
354R55.9Low70.5Confident185 Ų185112.6 Ų112.670%0.69853%0.534SS*.G310 helixtrans-96.6-13.2-176.7-68.1-171.5176.3108.9-0.5115.2F352 L358F352-R354 VanDerWaalsContact C-N 3.32Å; F352-R354 PolarHBondContact O-N 3.32Å; R354-L358 PolarHBondContact O-N 2.94Å
355S67.9Low71.9Confident46 Ų46111 Ų11132%0.32252%0.524SS..Hα-helixtrans-71.2-37.7-17554.50000113.3Q345 F352 L358 R359Q345-S355 PolarHBondContact NE2-O 3.34Å; F352-S355 PolarHBondContact O-OG 3.06Å; F352-S355 VanDerWaalsContact O-OG 3.1Å; S355-L358 PolarHBondContact O-N 3.48Å; S355-R359 WeakPolarHBondContact O-CB 3.33Å; S355-R359 PolarHBondContact O-N 3.08Å
356S78.7Confident73.6Confident72 Ų72109.7 Ų109.750%0.50352%0.519SS..Hα-helixtrans-61.7-54.3-179.654.20000112.5L358 R359 E360S356-L358 PolarHBondContact O-N 2.98Å; S356-R359 WeakPolarHBondContact O-CB 3.44Å; S356-R359 PolarHBondContact O-N 3.36Å; S356-E360 WeakPolarHBondContact O-CB 3.05Å; S356-E360 PolarHBondContact O-N 3.47Å
357K86.4Confident75.5Confident141 Ų141104 Ų10461%0.61351%0.506SS*.Hα-helixtrans-65-18.4177.1-65.5-174.8177.7-177.10113.8R361K357-R361 VanDerWaalsContact O-CD 3.29Å; K357-R361 WeakPolarHBondContact O-CD 3.41Å; K357-R361 VanDerWaalsContact O-CG 3.3Å; K357-R361 WeakPolarHBondContact O-CG 3.49Å
358L86.6Confident77.6Confident28 Ų2895.3 Ų95.315%0.14747%0.47CS..Hα-helixtrans-80.9-44.7169.3176.959.5000110.8Y321 T343 Q345 R354 S355 S356 R361 I362Y321-L358 HydrophobicContact CD1-CD1 4.08Å; Y321-L358 HydrophobicContact CE1-CD1 3.88Å; T343-L358 HydrophobicContact CG2-CD2 3.88Å; Q345-L358 HydrophobicContact CG-CD2 4.44Å; R354-L358 PolarHBondContact O-N 2.94Å; S355-L358 PolarHBondContact O-N 3.48Å; S356-L358 PolarHBondContact O-N 2.98Å; L358-R361 PolarHBondContact O-N 3.08Å; L358-I362 HydrophobicContact CD1-CD1 4.22Å; L358-I362 HydrophobicContact CD1-CG1 4.48Å; L358-I362 HydrophobicContact CG-CD1 4Å; L358-I362 WeakPolarHBondContact O-CG1 3.33Å; L358-I362 PolarHBondContact O-N 2.9Å; L358-I362 VanDerWaalsContact O-N 3.12Å
359R89.1Confident79.9Confident97 Ų9786.1 Ų86.137%0.36643%0.431SS..Hα-helixtrans-59.9-50.7178.7-17767.2-149.1-163.26.5111.6E333 S355 S356 R361 I362 D363E333-R359 IonicContact OE1-CZ 3.91Å; E333-R359 IonicContact OE1-NH1 3.58Å; E333-R359 PolarHBondContact OE1-NH1 3.42Å; E333-R359 IonicContact OE2-CZ 3.84Å; E333-R359 IonicContact OE2-NH1 3.08Å; E333-R359 PolarHBondContact OE2-NH1 3.03Å; S355-R359 WeakPolarHBondContact O-CB 3.33Å; S355-R359 PolarHBondContact O-N 3.08Å; S356-R359 WeakPolarHBondContact O-CB 3.44Å; S356-R359 PolarHBondContact O-N 3.36Å; R359-R361 PolarHBondContact O-N 3.41Å; R359-I362 WeakPolarHBondContact O-CA 3.22Å; R359-I362 WeakPolarHBondContact O-CB 3.45Å; R359-I362 PolarHBondContact O-N 2.99Å; R359-D363 WeakPolarHBondContact CG-OD2 3.41Å; R359-D363 IonicContact CZ-OD1 3.75Å; R359-D363 IonicContact CZ-OD2 3.73Å; R359-D363 IonicContact NE-OD1 3.33Å; R359-D363 PolarHBondContact NE-OD1 3.42Å; R359-D363 IonicContact NE-OD2 2.73Å; R359-D363 PolarHBondContact NE-OD2 3.15Å; R359-D363 IonicContact NH2-OD1 2.71Å; R359-D363 PolarHBondContact NH2-OD1 3.29Å; R359-D363 IonicContact NH2-OD2 3.68Å; R359-D363 PolarHBondContact O-N 3.19Å
360E92.7Very high82.3Confident128 Ų12880.9 Ų80.960%0.59841%0.408SS*.Hα-helixtrans-49.5-42.1174.7-177.7-171.2-174.500113S356 S364S356-E360 WeakPolarHBondContact O-CB 3.05Å; S356-E360 PolarHBondContact O-N 3.47Å; E360-S364 VanDerWaalsContact O-CB 3.24Å; E360-S364 WeakPolarHBondContact O-CB 3.01Å; E360-S364 PolarHBondContact O-N 3.15Å
361R95Very high84.7Confident137 Ų13780.1 Ų80.152%0.51740%0.395SS..Hα-helixtrans-73.4-35.4178.8-69.4174.7179.9-173.6-2.7113Y321 K357 L358 R359 A365Y321-R361 HydrophobicContact CD1-CB 4.06Å; Y321-R361 HydrophobicContact CD2-CB 4.18Å; Y321-R361 HydrophobicContact CE1-CB 4.08Å; Y321-R361 HydrophobicContact CE2-CB 4.21Å; Y321-R361 HydrophobicContact CG-CB 4.11Å; Y321-R361 PolarHBondContact OH-NH1 2.94Å; Y321-R361 VanDerWaalsContact OH-NH1 3.14Å; K357-R361 VanDerWaalsContact O-CD 3.29Å; K357-R361 WeakPolarHBondContact O-CD 3.41Å; K357-R361 VanDerWaalsContact O-CG 3.3Å; K357-R361 WeakPolarHBondContact O-CG 3.49Å; L358-R361 PolarHBondContact O-N 3.08Å; R359-R361 PolarHBondContact O-N 3.41Å; R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.45Å; R361-A365 PolarHBondContact O-N 2.98Å
362I95Very high87.1Confident0 Ų074.4 Ų74.40%037%0.365CS..Hα-helixtrans-65.2-50.8173.2-64.3159.8000109.4Y321 V323 E333 L358 R359 S364 A365 V366Y321-I362 HydrophobicContact CD1-CG1 4.46Å; V323-I362 HydrophobicContact CG2-CG2 3.54Å; E333-I362 HydrophobicContact CB-CD1 4.29Å; E333-I362 HydrophobicContact CB-CG2 4.22Å; E333-I362 HydrophobicContact CG-CD1 4.46Å; L358-I362 HydrophobicContact CD1-CD1 4.22Å; L358-I362 HydrophobicContact CD1-CG1 4.48Å; L358-I362 HydrophobicContact CG-CD1 4Å; L358-I362 WeakPolarHBondContact O-CG1 3.33Å; L358-I362 PolarHBondContact O-N 2.9Å; L358-I362 VanDerWaalsContact O-N 3.12Å; R359-I362 WeakPolarHBondContact O-CA 3.22Å; R359-I362 WeakPolarHBondContact O-CB 3.45Å; R359-I362 PolarHBondContact O-N 2.99Å; I362-S364 VanDerWaalsContact C-N 3.33Å; I362-S364 PolarHBondContact O-N 2.76Å; I362-A365 PolarHBondContact O-N 3.01Å; I362-A365 VanDerWaalsContact O-N 3.15Å; I362-V366 HydrophobicContact CG2-CG2 4.32Å; I362-V366 WeakPolarHBondContact O-CG2 3.45Å; I362-V366 PolarHBondContact O-N 2.89Å
363D96.2Very high89.2Confident67 Ų6766 Ų6636%0.35833%0.331SS..Hα-helixtrans-62.4-40.1-179.2-68.1-42.6000111.8R359 V366 A367R359-D363 WeakPolarHBondContact CG-OD2 3.41Å; R359-D363 IonicContact CZ-OD1 3.75Å; R359-D363 IonicContact CZ-OD2 3.73Å; R359-D363 IonicContact NE-OD1 3.33Å; R359-D363 PolarHBondContact NE-OD1 3.42Å; R359-D363 IonicContact NE-OD2 2.73Å; R359-D363 PolarHBondContact NE-OD2 3.15Å; R359-D363 IonicContact NH2-OD1 2.71Å; R359-D363 PolarHBondContact NH2-OD1 3.29Å; R359-D363 IonicContact NH2-OD2 3.68Å; R359-D363 PolarHBondContact O-N 3.19Å; D363-V366 PolarHBondContact O-N 3.14Å; D363-A367 VanDerWaalsContact O-CB 3.29Å; D363-A367 WeakPolarHBondContact O-CB 3.44Å; D363-A367 PolarHBondContact O-N 3.49Å
364S97.1Very high91.6Very high73 Ų7366 Ų6651%0.5132%0.322SS..Hα-helixtrans-62.7-42.1173.3-173.50000112.8E360 I362 A367 A368E360-S364 VanDerWaalsContact O-CB 3.24Å; E360-S364 WeakPolarHBondContact O-CB 3.01Å; E360-S364 PolarHBondContact O-N 3.15Å; I362-S364 VanDerWaalsContact C-N 3.33Å; I362-S364 PolarHBondContact O-N 2.76Å; S364-A367 PolarHBondContact O-N 3.34Å; S364-A368 WeakPolarHBondContact O-CB 3.45Å; S364-A368 PolarHBondContact O-N 3.13Å
365A97.4Very high93.7Very high5 Ų559.8 Ų59.84%0.04130%0.302CS..Hα-helixtrans-70.6-35.8177.100000113.1F298 Y321 R361 I362 A368 A369F298-A365 HydrophobicContact CE1-CB 4.2Å; Y321-A365 WeakPolarHBondContact O-CB 3.46Å; R361-A365 VanDerWaalsContact O-CB 3.31Å; R361-A365 WeakPolarHBondContact O-CB 3.45Å; R361-A365 PolarHBondContact O-N 2.98Å; I362-A365 PolarHBondContact O-N 3.01Å; I362-A365 VanDerWaalsContact O-N 3.15Å; A365-A368 PolarHBondContact O-N 2.97Å; A365-A369 WeakPolarHBondContact O-CB 3.43Å; A365-A369 PolarHBondContact O-N 3.47Å
366V97.9Very high95.1Very high28 Ų2857.6 Ų57.617%0.1729%0.287CS..Hα-helixtrans-67.3-41.2172.5171.40000110.7E310 V323 I362 D363 A368 A369 N370E310-V366 HydrophobicContact CB-CG1 4.27Å; E310-V366 HydrophobicContact CB-CG2 4.3Å; V323-V366 HydrophobicContact CB-CG2 4.23Å; V323-V366 HydrophobicContact CG2-CG2 3.57Å; I362-V366 HydrophobicContact CG2-CG2 4.32Å; I362-V366 WeakPolarHBondContact O-CG2 3.45Å; I362-V366 PolarHBondContact O-N 2.89Å; D363-V366 PolarHBondContact O-N 3.14Å; V366-A368 VanDerWaalsContact C-N 3.33Å; V366-A368 PolarHBondContact O-N 2.73Å; V366-A369 PolarHBondContact O-N 2.81Å; V366-N370 PolarHBondContact O-N 2.88Å; V366-N370 PolarHBondContact O-ND2 3.38Å
367A98.3Very high96.1Very high40 Ų4057 Ų5733%0.33128%0.28SS..Hα-helixtrans-64.6-37.3173.800000111.8D363 S364 R371D363-A367 VanDerWaalsContact O-CB 3.29Å; D363-A367 WeakPolarHBondContact O-CB 3.44Å; D363-A367 PolarHBondContact O-N 3.49Å; S364-A367 PolarHBondContact O-N 3.34Å; A367-R371 WeakPolarHBondContact O-CG 3.49Å; A367-R371 PolarHBondContact O-N 3.16Å; A367-R371 PolarHBondContact O-NH1 2.92Å
368A98.5Very high96.6Very high11 Ų1155.8 Ų55.89%0.09128%0.276CS..Hα-helixtrans-66.7-43.2172.900000112.4F298 S364 A365 V366 N370 R371 A372F298-A368 HydrophobicContact CB-CB 4.46Å; F298-A368 HydrophobicContact CD1-CB 3.46Å; F298-A368 VanDerWaalsContact CD1-CB 3.46Å; F298-A368 HydrophobicContact CD2-CB 4.16Å; F298-A368 HydrophobicContact CE1-CB 3.57Å; F298-A368 HydrophobicContact CE2-CB 4.27Å; F298-A368 HydrophobicContact CG-CB 3.77Å; F298-A368 HydrophobicContact CZ-CB 3.99Å; S364-A368 WeakPolarHBondContact O-CB 3.45Å; S364-A368 PolarHBondContact O-N 3.13Å; A365-A368 PolarHBondContact O-N 2.97Å; V366-A368 VanDerWaalsContact C-N 3.33Å; V366-A368 PolarHBondContact O-N 2.73Å; A368-N370 PolarHBondContact O-N 3.2Å; A368-R371 PolarHBondContact O-N 3.39Å; A368-A372 WeakPolarHBondContact O-CB 3.44Å; A368-A372 PolarHBondContact O-N 3.45Å
369A98.5Very high97.2Very high0 Ų056.9 Ų56.90%028%0.28CS..Hα-helixtrans-60.3-42.6174.600000112.7V300 G311 A365 V366 A372 A373V300-A369 HydrophobicContact CG2-CB 4.26Å; G311-A369 VanDerWaalsContact N-CB 3.34Å; A365-A369 WeakPolarHBondContact O-CB 3.43Å; A365-A369 PolarHBondContact O-N 3.47Å; V366-A369 PolarHBondContact O-N 2.81Å; A369-A372 PolarHBondContact O-N 2.87Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.19Å
370N98.6Very high97.6Very high55 Ų5552.7 Ų52.729%0.29427%0.266SS..Hα-helixtrans-68.8-37.2176.9-80.1-82000112.6E310 V366 A368 A373 Q374E310-N370 PolarHBondContact OE1-ND2 2.79Å; V366-N370 PolarHBondContact O-N 2.88Å; V366-N370 PolarHBondContact O-ND2 3.38Å; A368-N370 PolarHBondContact O-N 3.2Å; N370-A373 PolarHBondContact O-N 3Å; N370-Q374 WeakPolarHBondContact O-CG 3.27Å; N370-Q374 PolarHBondContact O-N 3.26Å
371R98.6Very high97.9Very high134 Ų13450.8 Ų50.851%0.50626%0.26SS..Hα-helixtrans-63.1-44.3169.9-72.6-172.7-56.9-89.23111.9A367 A368 A373 Q374 I375A367-R371 WeakPolarHBondContact O-CG 3.49Å; A367-R371 PolarHBondContact O-N 3.16Å; A367-R371 PolarHBondContact O-NH1 2.92Å; A368-R371 PolarHBondContact O-N 3.39Å; R371-A373 VanDerWaalsContact C-N 3.31Å; R371-A373 PolarHBondContact O-N 3.07Å; R371-Q374 PolarHBondContact O-N 2.83Å; R371-I375 VanDerWaalsContact O-CG1 3.32Å; R371-I375 WeakPolarHBondContact O-CG1 3.5Å; R371-I375 PolarHBondContact O-N 3.44Å
372A98.6Very high98Very high4 Ų447.2 Ų47.23%0.03325%0.25CS..Hα-helixtrans-63.8-36.1177.600000112.3Y141 F298 A368 A369 A376Y141-A372 HydrophobicContact CD1-CB 4.46Å; Y141-A372 HydrophobicContact CE1-CB 3.99Å; F298-A372 HydrophobicContact CB-CB 3.78Å; F298-A372 WeakPolarHBondContact O-CB 3.07Å; A368-A372 WeakPolarHBondContact O-CB 3.44Å; A368-A372 PolarHBondContact O-N 3.45Å; A369-A372 PolarHBondContact O-N 2.87Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 2.87Å
373A98.6Very high98.2Very high9 Ų947.2 Ų47.27%0.07425%0.25CS..Hα-helixtrans-66-43.9172.900000112.4M287 V300 A369 N370 R371 I375 A376 V377M287-A373 HydrophobicContact CB-CB 3.72Å; V300-A373 HydrophobicContact CB-CB 4.06Å; V300-A373 HydrophobicContact CG2-CB 3.84Å; A369-A373 WeakPolarHBondContact O-CB 3.39Å; A369-A373 PolarHBondContact O-N 3.19Å; N370-A373 PolarHBondContact O-N 3Å; R371-A373 VanDerWaalsContact C-N 3.31Å; R371-A373 PolarHBondContact O-N 3.07Å; A373-I375 PolarHBondContact O-N 2.99Å; A373-A376 WeakPolarHBondContact O-CB 3.34Å; A373-A376 PolarHBondContact O-N 3.02Å; A373-V377 WeakPolarHBondContact O-CG2 3.43Å; A373-V377 PolarHBondContact O-N 3.05Å
374Q98.6Very high98.3Very high125 Ų12548.2 Ų48.258%0.58426%0.255SS*.Hα-helixtrans-60.4-43.6174.5-72.6170.1-2.600112N370 R371 V377 Q378N370-Q374 WeakPolarHBondContact O-CG 3.27Å; N370-Q374 PolarHBondContact O-N 3.26Å; R371-Q374 PolarHBondContact O-N 2.83Å; Q374-V377 PolarHBondContact O-N 3.36Å; Q374-Q378 WeakPolarHBondContact O-CG 3.33Å; Q374-Q378 PolarHBondContact O-N 2.87Å; Q374-Q378 VanDerWaalsContact O-N 3.1Å
375I98.5Very high98.3Very high55 Ų5547.5 Ų47.528%0.28225%0.254SS..Hα-helixtrans-63.6-41.8174.3-64.1164.2000110.3Y141 R371 A373 V377 Q378 K379Y141-I375 HydrophobicContact CD1-CB 3.98Å; Y141-I375 HydrophobicContact CD1-CG2 3.7Å; Y141-I375 HydrophobicContact CD2-CG2 3.74Å; Y141-I375 HydrophobicContact CE1-CB 4.11Å; Y141-I375 HydrophobicContact CE1-CD1 4.29Å; Y141-I375 HydrophobicContact CE1-CG2 3.93Å; Y141-I375 HydrophobicContact CE2-CG2 4Å; Y141-I375 HydrophobicContact CG-CB 4.36Å; Y141-I375 HydrophobicContact CG-CG2 3.61Å; R371-I375 VanDerWaalsContact O-CG1 3.32Å; R371-I375 WeakPolarHBondContact O-CG1 3.5Å; R371-I375 PolarHBondContact O-N 3.44Å; A373-I375 PolarHBondContact O-N 2.99Å; I375-V377 VanDerWaalsContact C-N 3.33Å; I375-V377 PolarHBondContact O-N 3.09Å; I375-Q378 PolarHBondContact O-N 2.78Å; I375-K379 HydrophobicContact CG2-CG 4.15Å; I375-K379 VanDerWaalsContact O-CG 3.28Å; I375-K379 WeakPolarHBondContact O-CG 3.49Å; I375-K379 PolarHBondContact O-N 3.02Å
376A98.7Very high98.3Very high0 Ų052.1 Ų52.10%027%0.27CS..Hα-helixtrans-61.5-38.1177.700000113.2V143 M287 G288 A372 A373 K379 A380V143-A376 HydrophobicContact CG2-CB 4.38Å; M287-A376 HydrophobicContact CB-CB 4.44Å; G288-A376 VanDerWaalsContact N-CB 3.31Å; A372-A376 WeakPolarHBondContact O-CB 3.4Å; A372-A376 PolarHBondContact O-N 2.87Å; A373-A376 WeakPolarHBondContact O-CB 3.34Å; A373-A376 PolarHBondContact O-N 3.02Å; A376-K379 PolarHBondContact O-N 3.31Å; A376-A380 WeakPolarHBondContact O-CB 3.29Å; A376-A380 PolarHBondContact O-N 3.16Å
377V98.4Very high98.3Very high61 Ų6151.6 Ų51.637%0.3727%0.267SS..Hα-helixtrans-63.1-51.2171.6174.80000110.5V143 M287 A373 Q374 I375 K379 A380 D381V143-V377 HydrophobicContact CG2-CG2 4.26Å; M287-V377 HydrophobicContact SD-CG2 4.45Å; A373-V377 WeakPolarHBondContact O-CG2 3.43Å; A373-V377 PolarHBondContact O-N 3.05Å; Q374-V377 PolarHBondContact O-N 3.36Å; I375-V377 VanDerWaalsContact C-N 3.33Å; I375-V377 PolarHBondContact O-N 3.09Å; V377-K379 PolarHBondContact O-N 2.68Å; V377-K379 VanDerWaalsContact O-N 3.15Å; V377-A380 CarbonylContact O-C 3.4Å; V377-A380 WeakPolarHBondContact O-CA 3.21Å; V377-A380 WeakPolarHBondContact O-CB 3.39Å; V377-A380 PolarHBondContact O-N 2.86Å; V377-D381 VanDerWaalsContact O-CG 3.3Å; V377-D381 PolarHBondContact O-N 2.73Å
378Q98.5Very high98.3Very high114 Ų11454.6 Ų54.653%0.53328%0.281SS..Hα-helixtrans-57.3-33.5176.8-68172.6-1.400113.3Q374 I375 I382Q374-Q378 WeakPolarHBondContact O-CG 3.33Å; Q374-Q378 PolarHBondContact O-N 2.87Å; Q374-Q378 VanDerWaalsContact O-N 3.1Å; I375-Q378 PolarHBondContact O-N 2.78Å; Q378-I382 WeakPolarHBondContact O-CG1 3.4Å; Q378-I382 PolarHBondContact O-N 2.85Å
379K98.4Very high98.2Very high52 Ų5255.9 Ų55.923%0.22629%0.288CS..Hα-helixtrans-77.7-28.1175.5-63.2-61.7173.3-170.60112.8Y118 Q132 I375 A376 V377 I382 A383Y118-K379 HydrophobicContact CE1-CB 4.27Å; Y118-K379 HydrophobicContact CE1-CD 3.63Å; Y118-K379 WeakPolarHBondContact OH-CD 3.48Å; Y118-K379 PolarHBondContact OH-NZ 3.45Å; Y118-K379 VanDerWaalsContact OH-NZ 3.15Å; Q132-K379 HydrophobicContact CG-CB 4.27Å; Q132-K379 HydrophobicContact CG-CD 4.34Å; Q132-K379 HydrophobicContact CG-CG 4.41Å; I375-K379 HydrophobicContact CG2-CG 4.15Å; I375-K379 VanDerWaalsContact O-CG 3.28Å; I375-K379 WeakPolarHBondContact O-CG 3.49Å; I375-K379 PolarHBondContact O-N 3.02Å; A376-K379 PolarHBondContact O-N 3.31Å; V377-K379 PolarHBondContact O-N 2.68Å; V377-K379 VanDerWaalsContact O-N 3.15Å; K379-I382 HydrophobicContact CD-CD1 4.33Å; K379-A383 WeakPolarHBondContact O-CB 3.26Å; K379-A383 PolarHBondContact O-N 2.81Å
380A98.4Very high98.2Very high8 Ų855.9 Ų55.97%0.06629%0.288CS..Hα-helixtrans-69.3-4016800000111.8Q130 V143 A376 V377 I382 A383 L384Q130-A380 HydrophobicContact CB-CB 3.75Å; Q130-A380 WeakPolarHBondContact O-CB 3.29Å; V143-A380 HydrophobicContact CB-CB 4.28Å; V143-A380 HydrophobicContact CG2-CB 3.87Å; A376-A380 WeakPolarHBondContact O-CB 3.29Å; A376-A380 PolarHBondContact O-N 3.16Å; V377-A380 CarbonylContact O-C 3.4Å; V377-A380 WeakPolarHBondContact O-CA 3.21Å; V377-A380 WeakPolarHBondContact O-CB 3.39Å; V377-A380 PolarHBondContact O-N 2.86Å; A380-I382 VanDerWaalsContact C-N 3.34Å; A380-I382 PolarHBondContact O-N 3.06Å; A380-A383 CarbonylContact O-C 3.58Å; A380-A383 WeakPolarHBondContact O-CA 3.35Å; A380-A383 WeakPolarHBondContact O-CB 3.34Å; A380-A383 PolarHBondContact O-N 3.23Å; A380-L384 WeakPolarHBondContact O-CG 3.19Å; A380-L384 PolarHBondContact O-N 3.35Å
381D98.2Very high98.2Very high88 Ų8855 Ų5547%0.47128%0.283SS..Hα-helixtrans-61-42.7175.2-59.5-34.7000111.3V377 A383 L384 A385V377-D381 VanDerWaalsContact O-CG 3.3Å; V377-D381 PolarHBondContact O-N 2.73Å; D381-A383 VanDerWaalsContact C-N 3.33Å; D381-A383 PolarHBondContact O-N 3.1Å; D381-L384 PolarHBondContact O-N 2.99Å; D381-A385 PolarHBondContact O-N 3.1Å
382I98.1Very high98.2Very high62 Ų6251.6 Ų51.632%0.31828%0.275SS..Hα-helixtrans-64.8-36.9172.7-65.6166.2000111.2Y118 Q378 K379 A380 A385 R386Y118-I382 HydrophobicContact CD1-CB 3.97Å; Y118-I382 HydrophobicContact CD1-CG2 3.53Å; Y118-I382 HydrophobicContact CD2-CG2 4.18Å; Y118-I382 HydrophobicContact CE1-CB 3.86Å; Y118-I382 HydrophobicContact CE1-CD1 4.4Å; Y118-I382 HydrophobicContact CE1-CG2 3.53Å; Y118-I382 HydrophobicContact CE2-CG2 4.21Å; Y118-I382 HydrophobicContact CG-CG2 3.87Å; Q378-I382 WeakPolarHBondContact O-CG1 3.4Å; Q378-I382 PolarHBondContact O-N 2.85Å; K379-I382 HydrophobicContact CD-CD1 4.33Å; A380-I382 VanDerWaalsContact C-N 3.34Å; A380-I382 PolarHBondContact O-N 3.06Å; I382-A385 PolarHBondContact O-N 3.43Å; I382-R386 WeakPolarHBondContact O-CG 3.42Å; I382-R386 PolarHBondContact O-N 3.05Å
383A98.2Very high98.1Very high0 Ų054.3 Ų54.30%028%0.284CS..Hα-helixtrans-66.6-35174.800000112.6T120 K379 A380 D381 R386 T387T120-A383 HydrophobicContact CG2-CB 4.23Å; K379-A383 WeakPolarHBondContact O-CB 3.26Å; K379-A383 PolarHBondContact O-N 2.81Å; A380-A383 CarbonylContact O-C 3.58Å; A380-A383 WeakPolarHBondContact O-CA 3.35Å; A380-A383 WeakPolarHBondContact O-CB 3.34Å; A380-A383 PolarHBondContact O-N 3.23Å; D381-A383 VanDerWaalsContact C-N 3.33Å; D381-A383 PolarHBondContact O-N 3.1Å; A383-R386 PolarHBondContact O-N 3.05Å; A383-T387 WeakPolarHBondContact O-CB 3.36Å; A383-T387 PolarHBondContact O-N 3.29Å; A383-T387 PolarHBondContact O-OG1 2.9Å
384L97.8Very high98.1Very high88 Ų8854 Ų5446%0.46128%0.282SS..Hα-helixtrans-66.8-42.9171.4-69.9168.9000111.4T120 A380 D381 R386 T387 V388T120-L384 HydrophobicContact CG2-CD2 4.22Å; A380-L384 WeakPolarHBondContact O-CG 3.19Å; A380-L384 PolarHBondContact O-N 3.35Å; D381-L384 PolarHBondContact O-N 2.99Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3.1Å; L384-T387 WeakPolarHBondContact O-CA 3.27Å; L384-T387 VanDerWaalsContact O-CB 3.24Å; L384-T387 WeakPolarHBondContact O-CB 3.39Å; L384-T387 PolarHBondContact O-N 3.42Å; L384-V388 PolarHBondContact O-N 3.46Å; L384-V388 VanDerWaalsContact O-N 3.13Å
385A97.7Very high98.1Very high59 Ų5952.9 Ų52.949%0.48828%0.277SS..Hα-helixtrans-60.6-40.8174.400000112.5D381 I382 T387 T389D381-A385 PolarHBondContact O-N 3.1Å; I382-A385 PolarHBondContact O-N 3.43Å; A385-T387 VanDerWaalsContact C-N 3.29Å; A385-T389 PolarHBondContact O-N 2.71Å; A385-T389 PolarHBondContact O-OG1 2.85Å
386R97.4Very high98.1Very high101 Ų10153.4 Ų53.438%0.38128%0.278SS..Hα-helixtrans-73.6-19.4173.3-60.6-64.8165.3-160.7-10.9113.3Y94 T109 I382 A383 L384 A390Y94-R386 PolarHBondContact OH-NH1 3.38Å; T109-R386 HydrophobicContact CG2-CB 4.48Å; I382-R386 WeakPolarHBondContact O-CG 3.42Å; I382-R386 PolarHBondContact O-N 3.05Å; A383-R386 PolarHBondContact O-N 3.05Å; L384-R386 VanDerWaalsContact C-N 3.33Å; L384-R386 PolarHBondContact O-N 3.1Å; R386-A390 WeakPolarHBondContact O-CB 3.27Å; R386-A390 PolarHBondContact O-N 2.82Å; R386-A390 VanDerWaalsContact O-N 3.15Å
387T97.4Very high98Very high17 Ų1753.4 Ų53.410%0.10428%0.278CS..Hα-helixtrans-67.9-49.7173.3-65.50000109.8T107 T120 A383 L384 A385 T389 A390 D391T107-T387 HydrophobicContact CG2-CG2 3.54Å; T107-T387 WeakPolarHBondContact CG2-O 3.17Å; T120-T387 WeakPolarHBondContact CG2-OG1 3.32Å; T120-T387 PolarHBondContact OG1-OG1 2.88Å; A383-T387 WeakPolarHBondContact O-CB 3.36Å; A383-T387 PolarHBondContact O-N 3.29Å; A383-T387 PolarHBondContact O-OG1 2.9Å; L384-T387 WeakPolarHBondContact O-CA 3.27Å; L384-T387 VanDerWaalsContact O-CB 3.24Å; L384-T387 WeakPolarHBondContact O-CB 3.39Å; L384-T387 PolarHBondContact O-N 3.42Å; A385-T387 VanDerWaalsContact C-N 3.29Å; T387-T389 VanDerWaalsContact C-N 3.32Å; T387-T389 PolarHBondContact O-N 3.23Å; T387-A390 PolarHBondContact O-N 3.49Å; T387-D391 PolarHBondContact O-N 2.87Å
388V97.9Very high98Very high103 Ų10353.2 Ų53.262%0.62428%0.275SS*.Hα-helixtrans-56.6-43.7176.6179.70000111.8L384 A390 D391 D392L384-V388 PolarHBondContact O-N 3.46Å; L384-V388 VanDerWaalsContact O-N 3.13Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.36Å; V388-D391 PolarHBondContact O-N 3.37Å; V388-D392 WeakPolarHBondContact O-CB 3.45Å; V388-D392 PolarHBondContact O-N 2.89Å
389T98.1Very high98Very high38 Ų3852.3 Ų52.323%0.23327%0.273CS..Hα-helixtrans-65.3-32.7176.4-43.80000113.4Y94 A385 T387 R393Y94-T389 HydrophobicContact CD1-CG2 3.96Å; Y94-T389 HydrophobicContact CD2-CG2 4.14Å; Y94-T389 HydrophobicContact CE1-CG2 3.74Å; Y94-T389 HydrophobicContact CE2-CG2 3.91Å; Y94-T389 HydrophobicContact CG-CG2 4.16Å; A385-T389 PolarHBondContact O-N 2.71Å; A385-T389 PolarHBondContact O-OG1 2.85Å; T387-T389 VanDerWaalsContact C-N 3.32Å; T387-T389 PolarHBondContact O-N 3.23Å; T389-R393 WeakPolarHBondContact O-CG 3.47Å; T389-R393 PolarHBondContact O-N 3.11Å
390A98.1Very high98Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-81.2-28179.300000113.3Y94 T107 G108 R386 T387 V388 A394Y94-A390 HydrophobicContact CD1-CB 4.26Å; T107-A390 HydrophobicContact CG2-CB 3.59Å; G108-A390 WeakPolarHBondContact O-CB 3.37Å; R386-A390 WeakPolarHBondContact O-CB 3.27Å; R386-A390 PolarHBondContact O-N 2.82Å; R386-A390 VanDerWaalsContact O-N 3.15Å; T387-A390 PolarHBondContact O-N 3.49Å; V388-A390 VanDerWaalsContact C-N 3.33Å; V388-A390 PolarHBondContact O-N 3.36Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 2.93Å; A390-A394 VanDerWaalsContact O-N 3.1Å
391D98Very high97.9Very high37 Ų3750 Ų5020%0.19826%0.264CS..Hα-helixtrans-72.5-43.3170-71.7-20.9000110.9V96 R105 T107 T387 V388 R393 A394 E395V96-D391 WeakPolarHBondContact CG2-OD1 3.45Å; R105-D391 IonicContact CZ-OD1 3.23Å; R105-D391 IonicContact NH2-OD1 2.74Å; R105-D391 PolarHBondContact NH2-OD1 3.35Å; R105-D391 IonicContact NH2-OD2 2.79Å; R105-D391 PolarHBondContact NH2-OD2 3.01Å; T107-D391 WeakPolarHBondContact CG2-OD1 3.32Å; T107-D391 PolarHBondContact OG1-OD1 2.88Å; T387-D391 PolarHBondContact O-N 2.87Å; V388-D391 PolarHBondContact O-N 3.37Å; D391-R393 VanDerWaalsContact C-N 3.33Å; D391-R393 PolarHBondContact O-N 3.18Å; D391-A394 CarbonylContact O-C 3.59Å; D391-A394 WeakPolarHBondContact O-CA 3.48Å; D391-A394 WeakPolarHBondContact O-CB 3.27Å; D391-A394 PolarHBondContact O-N 3.37Å; D391-E395 PolarHBondContact O-N 2.83Å
392D98.1Very high97.9Very high62 Ų6246.9 Ų46.933%0.33225%0.248SC..Hα-helixtrans-51.3-47.9169.2163.957.6000112.1V388 A394 E395 Q396V388-D392 WeakPolarHBondContact O-CB 3.45Å; V388-D392 PolarHBondContact O-N 2.89Å; D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 3.14Å; D392-E395 PolarHBondContact O-N 3.15Å; D392-Q396 VanDerWaalsContact CG-NE2 3.34Å; D392-Q396 VanDerWaalsContact O-CG 3.3Å; D392-Q396 WeakPolarHBondContact O-CG 3.4Å; D392-Q396 PolarHBondContact O-N 3.21Å; D392-Q396 PolarHBondContact OD1-NE2 3.33Å; D392-Q396 PolarHBondContact OD2-NE2 3.37Å
393R97.8Very high97.8Very high61 Ų6148.8 Ų48.823%0.2326%0.255CS..Hα-helixtrans-66.9-26.4175-71.8-71.1178.6-77.4-20.4114E85 T389 D391 Q396 A397E85-R393 HydrophobicContact CG-CB 4.27Å; E85-R393 HydrophobicContact CG-CG 3.99Å; E85-R393 VanDerWaalsContact OE1-CD 3.29Å; E85-R393 WeakPolarHBondContact OE1-CD 3.28Å; E85-R393 IonicContact OE1-NE 2.76Å; E85-R393 PolarHBondContact OE1-NE 3.16Å; T389-R393 WeakPolarHBondContact O-CG 3.47Å; T389-R393 PolarHBondContact O-N 3.11Å; D391-R393 VanDerWaalsContact C-N 3.33Å; D391-R393 PolarHBondContact O-N 3.18Å; R393-Q396 VanDerWaalsContact NH1-CD 3.31Å; R393-A397 VanDerWaalsContact O-CB 3.28Å; R393-A397 WeakPolarHBondContact O-CB 3.45Å; R393-A397 PolarHBondContact O-N 2.95Å
394A98Very high97.8Very high2 Ų248.8 Ų48.82%0.01726%0.255CS..Hα-helixtrans-79.2-29.4174.500000112.8R83 V96 A390 D391 D392 D398R83-A394 HydrophobicContact CB-CB 3.71Å; R83-A394 PolarHBondContact NE-O 3.04Å; R83-A394 VanDerWaalsContact NH2-C 3.31Å; R83-A394 PolarHBondContact NH2-O 2.88Å; V96-A394 HydrophobicContact CB-CB 3.92Å; V96-A394 HydrophobicContact CG2-CB 3.42Å; V96-A394 VanDerWaalsContact CG2-CB 3.42Å; A390-A394 WeakPolarHBondContact O-CB 3.47Å; A390-A394 PolarHBondContact O-N 2.93Å; A390-A394 VanDerWaalsContact O-N 3.1Å; D391-A394 CarbonylContact O-C 3.59Å; D391-A394 WeakPolarHBondContact O-CA 3.48Å; D391-A394 WeakPolarHBondContact O-CB 3.27Å; D391-A394 PolarHBondContact O-N 3.37Å; D392-A394 VanDerWaalsContact C-N 3.29Å; D392-A394 PolarHBondContact O-N 3.14Å; A394-D398 PolarHBondContact O-N 2.81Å
395E98Very high97.7Very high103 Ų10347.9 Ų47.948%0.48125%0.249SC..Hα-helixtrans-69.7-45.2170-70.8177.2-15900110.6D391 D392 A397 D398 L399D391-E395 PolarHBondContact O-N 2.83Å; D392-E395 PolarHBondContact O-N 3.15Å; E395-A397 VanDerWaalsContact C-N 3.25Å; E395-A397 PolarHBondContact O-N 2.71Å; E395-D398 WeakPolarHBondContact O-CB 3.12Å; E395-D398 PolarHBondContact O-N 3.25Å; E395-L399 PolarHBondContact O-N 3.04Å
396Q98.2Very high97.6Very high65 Ų6549.6 Ų49.630%0.30425%0.247SC..Hα-helixtrans-62.4-32.2173.1-64.2172.612.800112.4L72 D392 R393 L399 A400L72-Q396 HydrophobicContact CD1-CB 3.72Å; L72-Q396 HydrophobicContact CD2-CB 4.38Å; D392-Q396 VanDerWaalsContact CG-NE2 3.34Å; D392-Q396 VanDerWaalsContact O-CG 3.3Å; D392-Q396 WeakPolarHBondContact O-CG 3.4Å; D392-Q396 PolarHBondContact O-N 3.21Å; D392-Q396 PolarHBondContact OD1-NE2 3.33Å; D392-Q396 PolarHBondContact OD2-NE2 3.37Å; R393-Q396 VanDerWaalsContact NH1-CD 3.31Å; Q396-L399 PolarHBondContact O-N 3.2Å; Q396-A400 PolarHBondContact O-N 3.32Å
397A98.3Very high97.6Very high0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-70.2-25.9172.600000113.9L72 R393 E395 A401L72-A397 HydrophobicContact CB-CB 4.5Å; L72-A397 HydrophobicContact CD2-CB 4.48Å; R393-A397 VanDerWaalsContact O-CB 3.28Å; R393-A397 WeakPolarHBondContact O-CB 3.45Å; R393-A397 PolarHBondContact O-N 2.95Å; E395-A397 VanDerWaalsContact C-N 3.25Å; E395-A397 PolarHBondContact O-N 2.71Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.3Å; A397-A401 PolarHBondContact O-N 3.27Å
398D98Very high97.5Very high58 Ų5844.9 Ų44.931%0.3123%0.229SC..Hα-helixtrans-70.5-40.4171.3-73.44.2000111I74 R83 A394 E395 A401 V402I74-D398 WeakPolarHBondContact CD1-OD1 3.28Å; R83-D398 VanDerWaalsContact CZ-CG 3.42Å; R83-D398 IonicContact CZ-OD1 3.9Å; R83-D398 IonicContact CZ-OD2 2.8Å; R83-D398 IonicContact NE-OD1 2.97Å; R83-D398 PolarHBondContact NE-OD1 2.89Å; R83-D398 IonicContact NE-OD2 3.77Å; R83-D398 IonicContact NH1-OD2 2.7Å; R83-D398 IonicContact NH2-OD1 3.71Å; R83-D398 PolarHBondContact NH2-OD1 3.05Å; R83-D398 IonicContact NH2-OD2 2.75Å; R83-D398 PolarHBondContact NH2-OD2 2.9Å; A394-D398 PolarHBondContact O-N 2.81Å; E395-D398 WeakPolarHBondContact O-CB 3.12Å; E395-D398 PolarHBondContact O-N 3.25Å; D398-A401 PolarHBondContact O-N 3.4Å; D398-V402 WeakPolarHBondContact O-CB 3.37Å; D398-V402 WeakPolarHBondContact O-CG2 3.3Å; D398-V402 PolarHBondContact O-N 3.34Å
399L97.7Very high97.4Very high94 Ų9442.1 Ų42.149%0.49221%0.211SC..Hα-helixtrans-62.9-42.3174.2-60.7177000111.4E395 Q396 V402 Q403E395-L399 PolarHBondContact O-N 3.04Å; Q396-L399 PolarHBondContact O-N 3.2Å; L399-V402 PolarHBondContact O-N 3.37Å; L399-Q403 PolarHBondContact O-N 2.9Å
400A97.8Very high97.2Very high5 Ų543.8 Ų43.84%0.04122%0.217CC..Hα-helixtrans-66.1-37.6175.300000113L72 Q396 A404L72-A400 HydrophobicContact CB-CB 3.69Å; Q396-A400 PolarHBondContact O-N 3.32Å; A400-A404 VanDerWaalsContact O-CB 3.31Å; A400-A404 WeakPolarHBondContact O-CB 3.2Å; A400-A404 PolarHBondContact O-N 3.01Å
401A97.4Very high97Very high7 Ų743.8 Ų43.86%0.05822%0.217CC..Hα-helixtrans-70.8-33.8175.600000112.9E61 I74 A397 D398 A404 Q405E61-A401 HydrophobicContact CB-CB 3.73Å; I74-A401 HydrophobicContact CB-CB 4.36Å; I74-A401 HydrophobicContact CD1-CB 3.48Å; I74-A401 VanDerWaalsContact CD1-CB 3.48Å; I74-A401 HydrophobicContact CG1-CB 3.75Å; A397-A401 VanDerWaalsContact O-CB 3.29Å; A397-A401 WeakPolarHBondContact O-CB 3.3Å; A397-A401 PolarHBondContact O-N 3.27Å; D398-A401 PolarHBondContact O-N 3.4Å; A401-A404 PolarHBondContact O-N 3.1Å; A401-Q405 PolarHBondContact O-N 2.6Å
402V97.1Very high96.8Very high23 Ų2344.4 Ų44.414%0.13922%0.217CC..Hα-helixtrans-62-50.8170.7160.10000110.6D398 L399 A404 Q405 E406 L444D398-V402 WeakPolarHBondContact O-CB 3.37Å; D398-V402 WeakPolarHBondContact O-CG2 3.3Å; D398-V402 PolarHBondContact O-N 3.34Å; L399-V402 PolarHBondContact O-N 3.37Å; V402-A404 VanDerWaalsContact C-N 3.32Å; V402-A404 PolarHBondContact O-N 3.19Å; V402-Q405 WeakPolarHBondContact O-CB 3.29Å; V402-Q405 PolarHBondContact O-N 2.66Å; V402-Q405 VanDerWaalsContact O-N 3.11Å; V402-E406 PolarHBondContact O-N 2.98Å; V402-L444 HydrophobicContact CB-CD1 4.37Å; V402-L444 HydrophobicContact CG1-CD1 3.45Å; V402-L444 VanDerWaalsContact CG1-CD1 3.45Å; V402-L444 HydrophobicContact CG1-CD2 4.14Å; V402-L444 HydrophobicContact CG1-CG 4.41Å; V402-L444 HydrophobicContact CG2-CD1 3.93Å; V402-L444 HydrophobicContact CG2-CD2 4.02Å
403Q97Very high96.5Very high101 Ų10146.4 Ų46.447%0.47223%0.227SC..Hα-helixtrans-59.1-44.1176.3-176-177.6-13.200111.4L399 Q405 E406 D407L399-Q403 PolarHBondContact O-N 2.9Å; Q403-Q405 VanDerWaalsContact C-N 3.26Å; Q403-Q405 PolarHBondContact O-N 2.88Å; Q403-E406 PolarHBondContact O-N 3.19Å; Q403-E406 VanDerWaalsContact O-N 3.14Å; Q403-D407 PolarHBondContact O-N 2.88Å
404A97.5Very high96.1Very high0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-62-31.1176.900000113.4G62 A400 A401 V402 S408G62-A404 VanDerWaalsContact N-CB 3.32Å; A400-A404 VanDerWaalsContact O-CB 3.31Å; A400-A404 WeakPolarHBondContact O-CB 3.2Å; A400-A404 PolarHBondContact O-N 3.01Å; A401-A404 PolarHBondContact O-N 3.1Å; V402-A404 VanDerWaalsContact C-N 3.32Å; V402-A404 PolarHBondContact O-N 3.19Å; A404-S408 WeakPolarHBondContact O-CB 3.34Å; A404-S408 PolarHBondContact O-N 2.83Å
405Q96.1Very high95.7Very high70 Ų7044.4 Ų44.433%0.32722%0.222SC..Hα-helixtrans-73.2-41.4172.2-173.965.358.200111.7A401 V402 Q403 D407 S408 D409A401-Q405 PolarHBondContact O-N 2.6Å; V402-Q405 WeakPolarHBondContact O-CB 3.29Å; V402-Q405 PolarHBondContact O-N 2.66Å; V402-Q405 VanDerWaalsContact O-N 3.11Å; Q403-Q405 VanDerWaalsContact C-N 3.26Å; Q403-Q405 PolarHBondContact O-N 2.88Å; Q405-D407 VanDerWaalsContact C-N 3.33Å; Q405-D407 PolarHBondContact O-N 2.98Å; Q405-S408 WeakPolarHBondContact O-CB 3.39Å; Q405-S408 PolarHBondContact O-N 2.95Å; Q405-S408 VanDerWaalsContact O-N 3.12Å; Q405-D409 PolarHBondContact NE2-OD1 2.91Å; Q405-D409 VanDerWaalsContact O-CG 3.31Å; Q405-D409 PolarHBondContact O-N 3.02Å
406E96.6Very high95.3Very high95 Ų9545.3 Ų45.344%0.44422%0.224SC..Hα-helixtrans-59.6-44.2173.4-68.3174.3178.800110.7V402 Q403 S408 D409 I410V402-E406 PolarHBondContact O-N 2.98Å; Q403-E406 PolarHBondContact O-N 3.19Å; Q403-E406 VanDerWaalsContact O-N 3.14Å; E406-S408 PolarHBondContact O-N 3.42Å; E406-D409 PolarHBondContact O-N 2.56Å; E406-I410 WeakPolarHBondContact O-CD1 3.47Å; E406-I410 VanDerWaalsContact O-CG1 3.24Å; E406-I410 WeakPolarHBondContact O-CG1 3.48Å; E406-I410 PolarHBondContact O-N 3Å
407D96.7Very high94.8Very high18 Ų1848.7 Ų48.710%0.09624%0.24CC..Hα-helixtrans-62.2-37.7172.4-72.7-47.6000112.5H26 A41 S49 Q403 Q405 A411H26-D407 PolarHBondContact CD2-O 3.34Å; H26-D407 IonicContact CD2-OD1 2.71Å; H26-D407 IonicContact CE1-OD1 3.97Å; H26-D407 IonicContact NE2-OD1 3.61Å; H26-D407 PolarHBondContact NE2-OD1 2.86Å; A41-D407 HydrophobicContact CB-CB 4.39Å; S49-D407 WeakPolarHBondContact CB-OD2 3.24Å; S49-D407 PolarHBondContact OG-OD2 2.72Å; Q403-D407 PolarHBondContact O-N 2.88Å; Q405-D407 VanDerWaalsContact C-N 3.33Å; Q405-D407 PolarHBondContact O-N 2.98Å; D407-A411 VanDerWaalsContact O-CB 3.24Å; D407-A411 WeakPolarHBondContact O-CB 3.34Å; D407-A411 PolarHBondContact O-N 3.03Å
408S95.9Very high94.3Very high1 Ų151.5 Ų51.51%0.00725%0.252CS..Hα-helixtrans-66.1-43.8175.7-176.50000112.3S39 A404 Q405 E406 A411 R412S39-S408 VanDerWaalsContact CB-OG 3.3Å; S39-S408 WeakPolarHBondContact CB-OG 3.28Å; S39-S408 PolarHBondContact OG-OG 3.15Å; A404-S408 WeakPolarHBondContact O-CB 3.34Å; A404-S408 PolarHBondContact O-N 2.83Å; Q405-S408 WeakPolarHBondContact O-CB 3.39Å; Q405-S408 PolarHBondContact O-N 2.95Å; Q405-S408 VanDerWaalsContact O-N 3.12Å; E406-S408 PolarHBondContact O-N 3.42Å; S408-A411 WeakPolarHBondContact O-CB 3.4Å; S408-A411 PolarHBondContact O-N 3Å; S408-R412 VanDerWaalsContact O-CG 3.28Å; S408-R412 WeakPolarHBondContact O-CG 3.33Å; S408-R412 PolarHBondContact O-N 3Å; S408-R412 PolarHBondContact OG-NE 2.74Å
409D94.4Very high93.7Very high45 Ų4549.3 Ų49.324%0.24124%0.243CC..Hα-helixtrans-67.4-41.8-179.6-68.8-9.8000110.6Q405 E406 R412 L413Q405-D409 PolarHBondContact NE2-OD1 2.91Å; Q405-D409 VanDerWaalsContact O-CG 3.31Å; Q405-D409 PolarHBondContact O-N 3.02Å; E406-D409 PolarHBondContact O-N 2.56Å; D409-R412 PolarHBondContact O-N 3.33Å; D409-L413 WeakPolarHBondContact O-CG 3.42Å; D409-L413 PolarHBondContact O-N 2.81Å
410I94.7Very high92.9Very high73 Ų7349.5 Ų49.537%0.37425%0.25SC..Hα-helixtrans-61.8-45.2171.6-64.1164.7000110.5H26 E406 R412 L413 C414H26-I410 HydrophobicContact CB-CG2 3.79Å; H26-I410 VanDerWaalsContact CG-CG2 3.46Å; E406-I410 WeakPolarHBondContact O-CD1 3.47Å; E406-I410 VanDerWaalsContact O-CG1 3.24Å; E406-I410 WeakPolarHBondContact O-CG1 3.48Å; E406-I410 PolarHBondContact O-N 3Å; I410-R412 VanDerWaalsContact C-N 3.32Å; I410-R412 PolarHBondContact O-N 2.75Å; I410-L413 PolarHBondContact O-N 2.93Å; I410-L413 VanDerWaalsContact O-N 3.15Å; I410-C414 PolarHBondContact O-N 2.97Å; I410-C414 PolarHBondContact O-SG 3.08Å; I410-C414 VanDerWaalsContact O-SG 3.37Å
411A94.5Very high91.9Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-59.5-39.817700000112.8H26 V28 D407 S408 C414 A415H26-A411 HydrophobicContact CB-CB 4.12Å; V28-A411 HydrophobicContact CG2-CB 4.17Å; D407-A411 VanDerWaalsContact O-CB 3.24Å; D407-A411 WeakPolarHBondContact O-CB 3.34Å; D407-A411 PolarHBondContact O-N 3.03Å; S408-A411 WeakPolarHBondContact O-CB 3.4Å; S408-A411 PolarHBondContact O-N 3Å; A411-C414 PolarHBondContact O-N 2.92Å; A411-A415 WeakPolarHBondContact O-CB 3.49Å; A411-A415 PolarHBondContact O-N 2.92Å
412R92.8Very high90.6Very high49 Ų4957 Ų5719%0.18529%0.286CS..Hα-helixtrans-68.7-34.2175.8-70167.9-165.5-71.6-12.5112.4V28 E37 S39 S408 D409 I410 K416 Q424V28-R412 HydrophobicContact CG2-CG 4.17Å; E37-R412 IonicContact OE1-CZ 3.74Å; E37-R412 IonicContact OE1-NH1 2.68Å; E37-R412 PolarHBondContact OE1-NH1 2.86Å; E37-R412 IonicContact OE1-NH2 2.71Å; E37-R412 PolarHBondContact OE1-NH2 2.69Å; S39-R412 VanDerWaalsContact CB-NH2 3.34Å; S39-R412 PolarHBondContact OG-NH2 2.61Å; S408-R412 VanDerWaalsContact O-CG 3.28Å; S408-R412 WeakPolarHBondContact O-CG 3.33Å; S408-R412 PolarHBondContact O-N 3Å; S408-R412 PolarHBondContact OG-NE 2.74Å; D409-R412 PolarHBondContact O-N 3.33Å; I410-R412 VanDerWaalsContact C-N 3.32Å; I410-R412 PolarHBondContact O-N 2.75Å; R412-K416 VanDerWaalsContact O-CG 3.3Å; R412-K416 WeakPolarHBondContact O-CG 3.34Å; R412-K416 PolarHBondContact O-N 3.25Å; R412-Q424 VanDerWaalsContact NH1-CD 3.35Å
413L91.4Very high88.7Confident105 Ų10563.3 Ų63.355%0.5531%0.314SS..Hα-helixtrans-68.5-46.6172.6-70.7169.7000111.5D409 I410 K416 Q417D409-L413 WeakPolarHBondContact O-CG 3.42Å; D409-L413 PolarHBondContact O-N 2.81Å; I410-L413 PolarHBondContact O-N 2.93Å; I410-L413 VanDerWaalsContact O-N 3.15Å; L413-K416 PolarHBondContact O-N 2.93Å; L413-Q417 WeakPolarHBondContact O-CG 3.26Å; L413-Q417 PolarHBondContact O-N 3.13Å; L413-Q417 VanDerWaalsContact O-N 3.08Å
414C90.2Very high86.9Confident19 Ų1960.1 Ų60.113%0.12830%0.299CS..Hα-helixtrans-60.3-45.4175.3-69.70000112.1I410 A411 K416 Q417 F418I410-C414 PolarHBondContact O-N 2.97Å; I410-C414 PolarHBondContact O-SG 3.08Å; I410-C414 VanDerWaalsContact O-SG 3.37Å; A411-C414 PolarHBondContact O-N 2.92Å; C414-K416 VanDerWaalsContact C-N 3.34Å; C414-K416 PolarHBondContact O-N 3.32Å; C414-Q417 WeakPolarHBondContact O-CB 3.29Å; C414-Q417 PolarHBondContact O-N 3.5Å; C414-Q417 VanDerWaalsContact O-N 3.09Å; C414-F418 HydrophobicContact CB-CD2 4.4Å; C414-F418 HydrophobicContact CB-CE2 3.99Å; C414-F418 WeakPolarHBondContact O-CD2 3.29Å; C414-F418 WeakPolarHBondContact O-CG 3.48Å; C414-F418 PolarHBondContact O-N 3.28Å
415A90.1Very high84.4Confident1 Ų166.2 Ų66.21%0.00834%0.339CS..Hα-helixtrans-58.3-44.117700000112C15 V28 A411 Q417 F418 A419 F422C15-A415 HydrophobicContact CB-CB 3.78Å; V28-A415 HydrophobicContact CB-CB 4.36Å; V28-A415 HydrophobicContact CG2-CB 3.94Å; A411-A415 WeakPolarHBondContact O-CB 3.49Å; A411-A415 PolarHBondContact O-N 2.92Å; A415-Q417 VanDerWaalsContact C-N 3.3Å; A415-Q417 PolarHBondContact O-N 2.98Å; A415-F418 PolarHBondContact O-N 3.19Å; A415-A419 PolarHBondContact O-N 2.86Å; A415-F422 HydrophobicContact CB-CD1 4.01Å; A415-F422 HydrophobicContact CB-CE1 4.24Å
416K88.5Confident82Confident123 Ų12366.3 Ų66.354%0.53536%0.359SS..Hα-helixtrans-65-29.2175.2-73.5173180-179.30113.8R412 L413 C414 P420R412-K416 VanDerWaalsContact O-CG 3.3Å; R412-K416 WeakPolarHBondContact O-CG 3.34Å; R412-K416 PolarHBondContact O-N 3.25Å; L413-K416 PolarHBondContact O-N 2.93Å; C414-K416 VanDerWaalsContact C-N 3.34Å; C414-K416 PolarHBondContact O-N 3.32Å; K416-P420 WeakPolarHBondContact O-CA 3.49Å
417Q89.1Confident79.4Confident136 Ų13665.5 Ų65.564%0.63636%0.363SS*.Hα-helixtrans-75.2-38.4175.1-71.9173.53.300112.3L413 C414 A415L413-Q417 WeakPolarHBondContact O-CG 3.26Å; L413-Q417 PolarHBondContact O-N 3.13Å; L413-Q417 VanDerWaalsContact O-N 3.08Å; C414-Q417 WeakPolarHBondContact O-CB 3.29Å; C414-Q417 PolarHBondContact O-N 3.5Å; C414-Q417 VanDerWaalsContact O-N 3.09Å; A415-Q417 VanDerWaalsContact C-N 3.3Å; A415-Q417 PolarHBondContact O-N 2.98Å
418F87.1Confident76.3Confident58 Ų5872 Ų7225%0.25440%0.397SS..Hα-helixtrans-83-27.3179.9-60.2-49.4000113.7M1 C414 A415M1-F418 HydrophobicContact CB-CZ 4.33Å; C414-F418 HydrophobicContact CB-CD2 4.4Å; C414-F418 HydrophobicContact CB-CE2 3.99Å; C414-F418 WeakPolarHBondContact O-CD2 3.29Å; C414-F418 WeakPolarHBondContact O-CG 3.48Å; C414-F418 PolarHBondContact O-N 3.28Å; A415-F418 PolarHBondContact O-N 3.19Å
419A84.1Confident73.5Confident13 Ų1382.1 Ų82.111%0.10744%0.435CS..  trans-147.389.9176.700000110.3R5 A415 D421 F422R5-A419 HydrophobicContact CB-CB 4.25Å; A415-A419 PolarHBondContact O-N 2.86Å; A419-D421 PolarHBondContact O-N 3.41Å; A419-F422 HydrophobicContact CB-CB 3.96Å; A419-F422 WeakPolarHBondContact O-CB 3.41Å; A419-F422 PolarHBondContact O-N 3.4Å
420P81.1Confident70.6Confident98 Ų9885.6 Ų85.664%0.63645%0.454SS*.THydrogen-bonded Turntrans-57-32.1177.6-27.136.1000113.5K416 F422K416-P420 WeakPolarHBondContact O-CA 3.49Å; P420-F422 PolarHBondContact O-N 3.29Å
421D78Confident67.7Low139 Ų13990.8 Ų90.874%0.74348%0.476SS*.THydrogen-bonded Turntrans-76.2-0.6178.5-55-49.5000114A419 H423A419-D421 PolarHBondContact O-N 3.41Å; D421-H423 VanDerWaalsContact C-N 3.3Å; D421-H423 PolarHBondContact O-N 2.87Å; D421-H423 PolarHBondContact O-ND1 3.03Å
422F69Low65Low30 Ų3095 Ų9513%0.13250%0.502CS..  trans-72.479.8179.2-176.6-114.3000112.1C15 V28 A415 A419 P420 Q424C15-F422 HydrophobicContact CB-CD1 4.39Å; C15-F422 HydrophobicContact CB-CE1 4.42Å; C15-F422 VanDerWaalsContact SG-CD2 3.54Å; V28-F422 HydrophobicContact CB-CE1 4.09Å; V28-F422 HydrophobicContact CB-CZ 4.4Å; V28-F422 HydrophobicContact CG1-CE1 3.89Å; V28-F422 HydrophobicContact CG1-CZ 3.97Å; A415-F422 HydrophobicContact CB-CD1 4.01Å; A415-F422 HydrophobicContact CB-CE1 4.24Å; A419-F422 HydrophobicContact CB-CB 3.96Å; A419-F422 WeakPolarHBondContact O-CB 3.41Å; A419-F422 PolarHBondContact O-N 3.4Å; P420-F422 PolarHBondContact O-N 3.29Å; F422-Q424 HydrophobicContact CD1-CG 4.3Å; F422-Q424 HydrophobicContact CE1-CG 3.95Å
423H58.6Low62.3Low156 Ų15694.2 Ų94.272%0.72251%0.509SS*.  trans-83.6123.4178.3-70.177.3000111.3D421 P425D421-H423 VanDerWaalsContact C-N 3.3Å; D421-H423 PolarHBondContact O-N 2.87Å; D421-H423 PolarHBondContact O-ND1 3.03Å; H423-P425 WeakPolarHBondContact O-CD 3.22Å
424Q57.7Low59.6Low34 Ų3497 Ų9716%0.15952%0.519CS..  trans-90.6115.6-173.6-60.3-172-68.700112.1E37 R412 F422 G426 S427E37-Q424 PolarHBondContact OE1-NE2 2.97Å; E37-Q424 VanDerWaalsContact OE1-NE2 3.11Å; E37-Q424 PolarHBondContact OE2-NE2 3.17Å; R412-Q424 VanDerWaalsContact NH1-CD 3.35Å; F422-Q424 HydrophobicContact CD1-CG 4.3Å; F422-Q424 HydrophobicContact CE1-CG 3.95Å; Q424-G426 PolarHBondContact O-N 3.4Å; Q424-S427 PolarHBondContact O-N 3.41Å
425P46.8Very low56.9Low128 Ų12899.9 Ų99.983%0.83154%0.54SS*.THydrogen-bonded Turntrans-69.7100.9174.529.1-33.5000110.4H423H423-P425 WeakPolarHBondContact O-CD 3.22Å
426G44.7Very low54.5Low72 Ų72103.4 Ų103.474%0.74256%0.563SS**THydrogen-bonded Turntrans126.7-10.817700000115.4Q424 L428Q424-G426 PolarHBondContact O-N 3.4Å; G426-L428 PolarHBondContact O-N 3.49Å; G426-L428 VanDerWaalsContact O-N 3.1Å
427S41.3Very low52.4Low77 Ų77101.3 Ų101.354%0.53856%0.557SS.*  trans-71.9-0.5-180-165.30000114.1Q424 R429Q424-S427 PolarHBondContact O-N 3.41Å; S427-R429 PolarHBondContact O-N 2.94Å
428L31.7Very low50.1Low154 Ų154100.5 Ų100.581%0.80656%0.556SS**  trans-83.253.5-175.4-143.9149.1000112.2G426G426-L428 PolarHBondContact O-N 3.49Å; G426-L428 VanDerWaalsContact O-N 3.1Å
429R36.9Very low48.1Very low214 Ų214103.1 Ų103.181%0.80857%0.572SS**SBendtrans-119.6100.4165.7-81.3-172.1172.7167.10.6110S427S427-R429 PolarHBondContact O-N 2.94Å
430D33.5Very low46.4Very low118 Ų118109.5 Ų109.563%0.63159%0.594SS**  trans65.5110.6159.2-48-30.4000118T432 G433D430-T432 WeakPolarHBondContact CB-OG1 3.2Å; D430-T432 PolarHBondContact O-N 2.94Å; D430-G433 PolarHBondContact O-N 3.1Å
431H35.2Very low45.1Very low182 Ų182106.5 Ų106.584%0.84357%0.574SS**THydrogen-bonded Turntrans-65.76.9172.9-47.7-67.2000114.1
432T36.4Very low44.2Very low90 Ų90104 Ų10455%0.55256%0.558SS**THydrogen-bonded Turntrans-81.5-17.8174.754.50000113.2D430 Q434 S435D430-T432 WeakPolarHBondContact CB-OG1 3.2Å; D430-T432 PolarHBondContact O-N 2.94Å; T432-Q434 VanDerWaalsContact C-N 3.28Å; T432-Q434 PolarHBondContact O-N 3.04Å; T432-Q434 VanDerWaalsContact O-N 3.09Å; T432-S435 PolarHBondContact O-N 2.85Å
433G37.1Very low43.8Very low31 Ų31107.6 Ų107.632%0.3258%0.577SS.*Hα-helixtrans-53.2-35-170.100000115.8D430 S435 C436 I437D430-G433 PolarHBondContact O-N 3.1Å; G433-S435 VanDerWaalsContact C-N 3.32Å; G433-S435 PolarHBondContact O-N 2.99Å; G433-C436 WeakPolarHBondContact O-CB 3.18Å; G433-C436 PolarHBondContact O-N 3.47Å; G433-C436 VanDerWaalsContact O-N 3.16Å; G433-I437 WeakPolarHBondContact O-CG1 3.43Å; G433-I437 PolarHBondContact O-N 2.78Å
434Q34.4Very low43.7Very low164 Ų164102.2 Ų102.277%0.76655%0.553SS**Hα-helixtrans-62.8-34.9179.4-71-176.9-13.500113.3T432T432-Q434 VanDerWaalsContact C-N 3.28Å; T432-Q434 PolarHBondContact O-N 3.04Å; T432-Q434 VanDerWaalsContact O-N 3.09Å
435S33.7Very low43.8Very low80 Ų80105.5 Ų105.556%0.55957%0.567SS**Hα-helixtrans-71.4-39.1174.9-174.40000111.3T432 G433 I437 L439T432-S435 PolarHBondContact O-N 2.85Å; G433-S435 VanDerWaalsContact C-N 3.32Å; G433-S435 PolarHBondContact O-N 2.99Å; S435-I437 PolarHBondContact O-N 2.9Å; S435-L439 PolarHBondContact O-N 3.1Å
436C39.5Very low44.7Very low74 Ų74106.1 Ų106.150%0.556%0.557SS.*Hα-helixtrans-64.1-37.6178.5-58.60000112.8G433 R440G433-C436 WeakPolarHBondContact O-CB 3.18Å; G433-C436 PolarHBondContact O-N 3.47Å; G433-C436 VanDerWaalsContact O-N 3.16Å; C436-R440 VanDerWaalsContact O-CB 3.26Å; C436-R440 WeakPolarHBondContact O-CB 3.48Å; C436-R440 PolarHBondContact O-N 3.01Å; C436-R440 VanDerWaalsContact O-N 3.1Å
437I44.7Very low45.2Very low79 Ų79108.5 Ų108.541%0.40554%0.544SS..Hα-helixtrans-63.2-53.5179.2-69.2162000110.4G433 S435 L439 R440 T441G433-I437 WeakPolarHBondContact O-CG1 3.43Å; G433-I437 PolarHBondContact O-N 2.78Å; S435-I437 PolarHBondContact O-N 2.9Å; I437-L439 PolarHBondContact O-N 3.34Å; I437-R440 PolarHBondContact O-N 3.43Å; I437-R440 VanDerWaalsContact O-N 3.1Å; I437-T441 PolarHBondContact O-N 3.45Å; I437-T441 PolarHBondContact O-OG1 2.92Å
438L39.9Very low45.8Very low120 Ų120114.5 Ų114.563%0.62856%0.555SS**Hα-helixtrans-62.7-40.1-178.5-73.8172.1000113.2R440 T441 E442L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 3.01Å; L438-T441 PolarHBondContact O-OG1 2.85Å; L438-E442 PolarHBondContact O-N 2.76Å
439L45.1Very low46.9Very low113 Ų113113.2 Ų113.259%0.59255%0.545SS*.Hα-helixtrans-64.5-35.3175.1-105.9163.4000112S435 I437 I443S435-L439 PolarHBondContact O-N 3.1Å; I437-L439 PolarHBondContact O-N 3.34Å; L439-I443 WeakPolarHBondContact O-CD1 3.31Å; L439-I443 WeakPolarHBondContact O-CG1 3.24Å; L439-I443 PolarHBondContact O-N 2.9Å
440R49.7Very low47.9Very low146 Ų146107.7 Ų107.755%0.55153%0.531SS*.Hα-helixtrans-75.6-39.7179.7-164.4167.9-176.8173.3-5.6112.2C436 I437 L438 E442 I443 L444C436-R440 VanDerWaalsContact O-CB 3.26Å; C436-R440 WeakPolarHBondContact O-CB 3.48Å; C436-R440 PolarHBondContact O-N 3.01Å; C436-R440 VanDerWaalsContact O-N 3.1Å; I437-R440 PolarHBondContact O-N 3.43Å; I437-R440 VanDerWaalsContact O-N 3.1Å; L438-R440 VanDerWaalsContact C-N 3.28Å; L438-R440 PolarHBondContact O-N 3.01Å; R440-E442 VanDerWaalsContact C-N 3.25Å; R440-E442 PolarHBondContact O-N 3.15Å; R440-I443 PolarHBondContact O-N 3.38Å; R440-L444 HydrophobicContact CG-CD1 4.13Å; R440-L444 WeakPolarHBondContact O-CB 3.27Å; R440-L444 WeakPolarHBondContact O-CD1 3.32Å; R440-L444 VanDerWaalsContact O-CG 3.27Å; R440-L444 WeakPolarHBondContact O-CG 3.45Å; R440-L444 PolarHBondContact O-N 3.47Å
441T52.5Low48.6Very low35 Ų35106.4 Ų106.422%0.21552%0.523CS..Hα-helixtrans-60.9-35.8173.254.90000111.9I437 L438 L444 K445I437-T441 PolarHBondContact O-N 3.45Å; I437-T441 PolarHBondContact O-OG1 2.92Å; L438-T441 PolarHBondContact O-OG1 2.85Å; T441-L444 PolarHBondContact O-N 3.12Å; T441-K445 WeakPolarHBondContact O-CB 3.24Å; T441-K445 VanDerWaalsContact O-CG 3.27Å; T441-K445 WeakPolarHBondContact O-CG 3.47Å; T441-K445 PolarHBondContact O-N 2.98Å
442E59Low49.5Very low88 Ų88103.1 Ų103.141%0.41152%0.515SS..Hα-helixtrans-75.5-34.5-178.6-101.438.9-14400112.3L438 R440 L444 K445 K446L438-E442 PolarHBondContact O-N 2.76Å; R440-E442 VanDerWaalsContact C-N 3.25Å; R440-E442 PolarHBondContact O-N 3.15Å; E442-L444 VanDerWaalsContact C-N 3.34Å; E442-K445 WeakPolarHBondContact OE1-CD 3.36Å; E442-K445 IonicContact OE1-NZ 3.3Å; E442-K445 PolarHBondContact OE1-NZ 3.47Å; E442-K445 IonicContact OE2-NZ 3.61Å; E442-K445 PolarHBondContact OE2-NZ 2.86Å; E442-K446 PolarHBondContact O-N 2.81Å; E442-K446 VanDerWaalsContact O-N 3.08Å
443I61.4Low50.3Low105 Ų105103.6 Ų103.654%0.53852%0.518SS..Hα-helixtrans-63.2-41.8168.1-68.4164.9000110.6L439 R440 K446 Y447L439-I443 WeakPolarHBondContact O-CD1 3.31Å; L439-I443 WeakPolarHBondContact O-CG1 3.24Å; L439-I443 PolarHBondContact O-N 2.9Å; R440-I443 PolarHBondContact O-N 3.38Å; I443-K446 PolarHBondContact O-N 3.31Å; I443-Y447 PolarHBondContact O-N 3.11Å
444L56.1Low50.8Low43 Ų43106 Ų10623%0.22553%0.53CS..Hα-helixtrans-70.7-37.9179.6-71.4161.2000112.9V402 R440 T441 E442 Y447 R448V402-L444 HydrophobicContact CB-CD1 4.37Å; V402-L444 HydrophobicContact CG1-CD1 3.45Å; V402-L444 VanDerWaalsContact CG1-CD1 3.45Å; V402-L444 HydrophobicContact CG1-CD2 4.14Å; V402-L444 HydrophobicContact CG1-CG 4.41Å; V402-L444 HydrophobicContact CG2-CD1 3.93Å; V402-L444 HydrophobicContact CG2-CD2 4.02Å; R440-L444 HydrophobicContact CG-CD1 4.13Å; R440-L444 WeakPolarHBondContact O-CB 3.27Å; R440-L444 WeakPolarHBondContact O-CD1 3.32Å; R440-L444 VanDerWaalsContact O-CG 3.27Å; R440-L444 WeakPolarHBondContact O-CG 3.45Å; R440-L444 PolarHBondContact O-N 3.47Å; T441-L444 PolarHBondContact O-N 3.12Å; E442-L444 VanDerWaalsContact C-N 3.34Å; L444-Y447 PolarHBondContact O-N 2.99Å; L444-R448 VanDerWaalsContact O-CB 3.3Å; L444-R448 WeakPolarHBondContact O-CB 3.4Å; L444-R448 PolarHBondContact O-N 2.97Å
445K61.1Low51.3Low103 Ų103104.8 Ų104.845%0.44853%0.529SS..Hα-helixtrans-59.4-46.2170.9-76.2160.8-178.4163.80111T441 E442 R448 Q449T441-K445 WeakPolarHBondContact O-CB 3.24Å; T441-K445 VanDerWaalsContact O-CG 3.27Å; T441-K445 WeakPolarHBondContact O-CG 3.47Å; T441-K445 PolarHBondContact O-N 2.98Å; E442-K445 WeakPolarHBondContact OE1-CD 3.36Å; E442-K445 IonicContact OE1-NZ 3.3Å; E442-K445 PolarHBondContact OE1-NZ 3.47Å; E442-K445 IonicContact OE2-NZ 3.61Å; E442-K445 PolarHBondContact OE2-NZ 2.86Å; K445-R448 PolarHBondContact O-N 3.32Å; K445-Q449 WeakPolarHBondContact O-CG 3.39Å; K445-Q449 PolarHBondContact O-N 3.05Å
446K65.5Low51.5Low140 Ų140111.1 Ų111.161%0.60954%0.542SS*.Hα-helixtrans-58.1-54172.5-78-171.7174.2-172.30111.4E442 I443 R448 Q449 D450E442-K446 PolarHBondContact O-N 2.81Å; E442-K446 VanDerWaalsContact O-N 3.08Å; I443-K446 PolarHBondContact O-N 3.31Å; K446-R448 PolarHBondContact O-N 2.86Å; K446-R448 VanDerWaalsContact O-N 3.14Å; K446-Q449 CarbonylContact O-C 3.56Å; K446-Q449 WeakPolarHBondContact O-CA 3.32Å; K446-Q449 PolarHBondContact O-N 2.84Å; K446-D450 WeakPolarHBondContact O-CB 3.3Å; K446-D450 PolarHBondContact O-N 3.49Å
447Y53.6Low51.5Low123 Ų123112.8 Ų112.848%0.48255%0.55SS..Hα-helixtrans-58.2-33.4-179.8-147.9-97.2000113I443 L444 M451I443-Y447 PolarHBondContact O-N 3.11Å; L444-Y447 PolarHBondContact O-N 2.99Å; Y447-M451 HydrophobicContact CD1-CG 4.38Å; Y447-M451 HydrophobicContact CD1-SD 4.41Å; Y447-M451 HydrophobicContact CE1-CE 3.86Å; Y447-M451 HydrophobicContact CE1-CG 4.34Å; Y447-M451 HydrophobicContact CE1-SD 4.15Å; Y447-M451 WeakPolarHBondContact O-CB 3.31Å; Y447-M451 PolarHBondContact O-N 3.39Å
448R55.8Low50.9Low203 Ų203112.7 Ų112.777%0.76657%0.568SS**Hα-helixtrans-69.4-42.3174-162.8-179.7-156.21669112.3L444 K445 K446 V452L444-R448 VanDerWaalsContact O-CB 3.3Å; L444-R448 WeakPolarHBondContact O-CB 3.4Å; L444-R448 PolarHBondContact O-N 2.97Å; K445-R448 PolarHBondContact O-N 3.32Å; K446-R448 PolarHBondContact O-N 2.86Å; K446-R448 VanDerWaalsContact O-N 3.14Å; R448-V452 VanDerWaalsContact O-CG2 3.27Å; R448-V452 WeakPolarHBondContact O-CG2 3.49Å; R448-V452 PolarHBondContact O-N 3Å; R448-V452 VanDerWaalsContact O-N 3.13Å
449Q53.8Low50.8Low127 Ų127111.1 Ų111.159%0.59357%0.572SS**Hα-helixtrans-66.6-44.5173.5-71.4177.5-66.900111.4K445 K446 M451 V452 T453K445-Q449 WeakPolarHBondContact O-CG 3.39Å; K445-Q449 PolarHBondContact O-N 3.05Å; K446-Q449 CarbonylContact O-C 3.56Å; K446-Q449 WeakPolarHBondContact O-CA 3.32Å; K446-Q449 PolarHBondContact O-N 2.84Å; Q449-M451 PolarHBondContact O-N 3.48Å; Q449-V452 PolarHBondContact O-N 3.07Å; Q449-T453 WeakPolarHBondContact O-CB 3.24Å; Q449-T453 PolarHBondContact O-N 3.45Å; Q449-T453 PolarHBondContact O-OG1 2.91Å
450D57.6Low50.1Low98 Ų98114.6 Ų114.652%0.52459%0.585SS.*Hα-helixtrans-62.6-41.3179.1-65.6-30.5000111.2K446 T453 S454K446-D450 WeakPolarHBondContact O-CB 3.3Å; K446-D450 PolarHBondContact O-N 3.49Å; D450-T453 PolarHBondContact O-N 3.26Å; D450-S454 WeakPolarHBondContact O-CA 3.37Å; D450-S454 WeakPolarHBondContact O-CB 3.31Å; D450-S454 PolarHBondContact O-N 2.94Å
451M47.7Very low49.4Very low91 Ų91118 Ų11845%0.44860%0.6SS.*Hα-helixtrans-69.9-35.1172.8-82.4-161.4157.100113.6Y447 Q449 T453 N455Y447-M451 HydrophobicContact CD1-CG 4.38Å; Y447-M451 HydrophobicContact CD1-SD 4.41Å; Y447-M451 HydrophobicContact CE1-CE 3.86Å; Y447-M451 HydrophobicContact CE1-CG 4.34Å; Y447-M451 HydrophobicContact CE1-SD 4.15Å; Y447-M451 WeakPolarHBondContact O-CB 3.31Å; Y447-M451 PolarHBondContact O-N 3.39Å; Q449-M451 PolarHBondContact O-N 3.48Å; M451-T453 VanDerWaalsContact C-N 3.28Å; M451-T453 PolarHBondContact O-N 2.92Å; M451-N455 PolarHBondContact O-N 2.86Å; M451-N455 PolarHBondContact O-ND2 3.5Å
452V54.7Low48.6Very low112 Ų112122.3 Ų122.368%0.67963%0.628SS**Hα-helixtrans-66.5-33.2174.1168.90000111.2R448 Q449R448-V452 VanDerWaalsContact O-CG2 3.27Å; R448-V452 WeakPolarHBondContact O-CG2 3.49Å; R448-V452 PolarHBondContact O-N 3Å; R448-V452 VanDerWaalsContact O-N 3.13Å; Q449-V452 PolarHBondContact O-N 3.07Å
453T53.6Low47.5Very low101 Ų101126.3 Ų126.362%0.6265%0.647SS**Hα-helixtrans-86.2-36.6179.9-55.20000112.7Q449 D450 M451 N455 Y456Q449-T453 WeakPolarHBondContact O-CB 3.24Å; Q449-T453 PolarHBondContact O-N 3.45Å; Q449-T453 PolarHBondContact O-OG1 2.91Å; D450-T453 PolarHBondContact O-N 3.26Å; M451-T453 VanDerWaalsContact C-N 3.28Å; M451-T453 PolarHBondContact O-N 2.92Å; T453-N455 VanDerWaalsContact C-N 3.28Å; T453-N455 PolarHBondContact O-N 3.14Å; T453-Y456 PolarHBondContact O-N 3.33Å
454S46.9Very low46.4Very low80 Ų80127 Ų12756%0.55966%0.658SS**Hα-helixtrans-71-19.3-178.6-173.30000113.7D450 Y456 V457D450-S454 WeakPolarHBondContact O-CA 3.37Å; D450-S454 WeakPolarHBondContact O-CB 3.31Å; D450-S454 PolarHBondContact O-N 2.94Å; S454-Y456 PolarHBondContact O-N 2.93Å; S454-V457 PolarHBondContact O-N 2.6Å; S454-V457 VanDerWaalsContact O-N 3.13Å
455N44.4Very low45.3Very low140 Ų140128.2 Ų128.275%0.74968%0.681SS**THydrogen-bonded Turntrans-66.6-0.6173.7-85.8-57.8000113.8M451 T453M451-N455 PolarHBondContact O-N 2.86Å; M451-N455 PolarHBondContact O-ND2 3.5Å; T453-N455 VanDerWaalsContact C-N 3.28Å; T453-N455 PolarHBondContact O-N 3.14Å
456Y38.9Very low44.1Very low212 Ų212134.9 Ų134.983%0.83170%0.704SS**THydrogen-bonded Turntrans-101.71.1172-114.8-90.5000115.2T453 S454T453-Y456 PolarHBondContact O-N 3.33Å; S454-Y456 PolarHBondContact O-N 2.93Å
457V40.1Very low42.7Very low110 Ų110138.4 Ų138.467%0.66772%0.719SS**SBendtrans-130.6101.8178.8-1740000111.2S454 A459S454-V457 PolarHBondContact O-N 2.6Å; S454-V457 VanDerWaalsContact O-N 3.13Å; V457-A459 PolarHBondContact O-N 2.99Å
458G31.1Very low41.9Very low77 Ų77137 Ų13779%0.79473%0.732SS**  trans-71.891.9-179.300000113.6Q460G458-Q460 PolarHBondContact O-N 2.95Å; G458-Q460 VanDerWaalsContact O-N 3.15Å
459A37.5Very low40.9Very low86 Ų86132 Ų13271%0.71173%0.729SS**  trans-69.9104.2176.500000112.2V457 Y461V457-A459 PolarHBondContact O-N 2.99Å; A459-Y461 PolarHBondContact O-N 3.25Å
460Q31.9Very low40.3Very low187 Ų187131.7 Ų131.787%0.87474%0.738SS**  trans-74.2114.7173.7-68.3179.6-11.300110.9G458G458-Q460 PolarHBondContact O-N 2.95Å; G458-Q460 VanDerWaalsContact O-N 3.15Å
461Y33.2Very low39.5Very low217 Ų217135.7 Ų135.785%0.85175%0.753SS**PPolyproline II helixtrans-66.5125.4170.2-76.9-87.5000110.7A459 Q463A459-Y461 PolarHBondContact O-N 3.25Å; Y461-Q463 PolarHBondContact O-N 2.94Å
462P37.6Very low39Very low125 Ų125139.3 Ų139.381%0.81277%0.774SS**PPolyproline II helixtrans-72.6116.9-176.127.8-33.9000111.7
463Q35Very low38.2Very low172 Ų172146.1 Ų146.180%0.80479%0.788SS**PPolyproline II helixtrans-66136169.9-71.6-71.8-15.400110.4Y461 G465Y461-Q463 PolarHBondContact O-N 2.94Å; Q463-G465 PolarHBondContact O-N 3.35Å
464P39.2Very low37.3Very low119 Ų119144.8 Ų144.877%0.77379%0.794SS**  trans-64.2111.817825.7-33.1000110.5R466P464-R466 PolarHBondContact O-N 2.78Å
465G32Very low37Very low69 Ų69150.6 Ų150.671%0.71181%0.812SS**  trans-61.7127.9-165.500000114.6Q463 K467Q463-G465 PolarHBondContact O-N 3.35Å; G465-K467 PolarHBondContact O-N 3.43Å
466R36.5Very low36.6Very low244 Ų244155.9 Ų155.992%0.92182%0.822SS**  trans-60.4119.6162.9-75.6-175.7174.4-172.9-0.5109P464 A468P464-R466 PolarHBondContact O-N 2.78Å; R466-A468 VanDerWaalsContact C-N 3.31Å; R466-A468 PolarHBondContact O-N 2.96Å
467K35.1Very low36.6Very low213 Ų213151.8 Ų151.893%0.92682%0.824SS**  trans-68.388.1167.8-70.6-174.7176.7-177.50109.9G465G465-K467 PolarHBondContact O-N 3.43Å
468A36.6Very low36.5Very low93 Ų93157.8 Ų157.877%0.76984%0.835SS**PPolyproline II helixtrans-73.3138.1167.200000109.8R466R466-A468 VanDerWaalsContact C-N 3.31Å; R466-A468 PolarHBondContact O-N 2.96Å
469S35.8Very low37Very low98 Ų98159.2 Ų159.269%0.68583%0.833SS**PPolyproline II helixtrans-77.1133-178.6-168.90000110.9H471S469-H471 PolarHBondContact O-N 3.25Å
470P41.6Very low36.9Very low121 Ų121161.7 Ų161.779%0.78683%0.833SS**PPolyproline II helixtrans-68.7125.8178.528.7-33.9000110.7
471H39.7Very low37.2Very low182 Ų182161.2 Ų161.284%0.84383%0.829SS**PPolyproline II helixtrans-94.3132171.7-98.339.7000111.3S469S469-H471 PolarHBondContact O-N 3.25Å
472N38.2Very low37.5Very low167 Ų167158.3 Ų158.389%0.89382%0.823SS**PPolyproline II helixtrans-67.3129.7179.3-93.7-40.8000112.5
473R36.3Very low37.4Very low256 Ų256157.4 Ų157.497%0.96682%0.82SS**  trans-150.3106.1142.1-123.7175.9-176.1168.52.1108.3
474G34.9Very low37.5Very low73 Ų73153.7 Ų153.775%0.75382%0.818SS**  trans-110.3179.8-171.600000114.1
475Q41.4Very low37.7Very low202 Ų202154.4 Ų154.494%0.94482%0.823SS**  trans-131.2171.1163.4-83.7-172.9-12.900110.6
476R35.5Very low37.9Very low251 Ų251156.1 Ų156.195%0.94783%0.831SS**  trans-97.8137.9-161.1-59.7162.7165.3174.2-7.2113.2
477S38.9Very low37.9Very low126 Ų126153 Ų15388%0.88183%0.827SS**  trans-161.1163134.7500000111.5
478R39.3Very low37.9Very low235 Ų235150.2 Ų150.289%0.88782%0.821SS**  trans-91.4164.3-160.3-69.6166.2160.7152.8-9.4114.3
479S40Very low38Very low108 Ų108153.2 Ų153.276%0.75582%0.823SS**  trans72.6150.5141.651.10000119.6
480L37.2Very low38.1Very low138 Ų138153.3 Ų153.372%0.72382%0.824SS**  cis-162.5163.2-12.1-114.8168.4000110.4
481F37.6Very low38.1Very low176 Ų176155.7 Ų155.777%0.77283%0.825SS**  trans60.4172.4171-65-74.2000118.7
482Q38.8Very low38.3Very low156 Ų156155.3 Ų155.373%0.72982%0.823SS**  177120.7-76.9171176.3-11.500111.8
483S36.5Very low38.6Very low107 Ų107153.7 Ų153.775%0.74882%0.819SS**  trans68149.9153.1740000123.9
484A36.7Very low39.1Very low94 Ų94146.5 Ų146.578%0.77781%0.805SS**  trans89.2126.1150.600000120.6
485P42.5Very low39.4Very low134 Ų134148.4 Ų148.487%0.8781%0.807SS**  trans-112.1159.2168.439.7-31000114.2
486A37.7Very low39.1Very low105 Ų105143.4 Ų143.487%0.86879%0.794SS**  trans-150.7-175.7171.300000111.9
487Q36.2Very low39.3Very low179 Ų179139.4 Ų139.484%0.83679%0.788SS**  trans-118.7179.5-160.7-59.1170.1-58.800114.8
488L35.5Very low39.2Very low154 Ų154140.3 Ų140.381%0.80678%0.779SS**  trans77.8156.9171-61.3126.8000114.8
489L37.6Very low39Very low155 Ų155135 Ų13581%0.81277%0.768SS**  cis-142.4172.523.6-169.260.9000113.2
490S37.9Very low38.9Very low101 Ų101136.3 Ų136.371%0.70677%0.771SS**  trans-124158.4-174.5-48.70000113.7
491Q40.9Very low39.1Very low171 Ų171135.1 Ų135.180%0.79977%0.772SS**  trans-169.6127.2151.6-100.8158.18.700107
492E45.6Very low38.9Very low174 Ų174134 Ų13481%0.81377%0.774SS**  80.3146.664.9-71.4-179.9-172.100113
493V43.7Very low38.8Very low132 Ų132132.2 Ų132.280%0.877%0.774SS**  cis-148.9170.824.696.50000111.2
494P47.2Very low38.6Very low105 Ų105133 Ų13368%0.68278%0.779SS**  trans-135.7-153.5-14647.2-33.1000117.5
495S39.7Very low38.5Very low114 Ų114132 Ų13280%0.79778%0.778SS**  trans101.9152.2161.4-39.40000116.5
496S37.1Very low38Very low96 Ų96135.2 Ų135.267%0.67178%0.779SS**  cis-155.9152.11060.20000114.8
497M38Very low37.8Very low167 Ų167136 Ų13682%0.82377%0.773SS**  trans64.8157.2150-72.2-177.5173.300120.7
498Q36.7Very low37.6Very low146 Ų146133.4 Ų133.468%0.68277%0.77SS**  cis-164.9161.5-39.3-136.4173-2900111.1
499N36.6Very low37.5Very low122 Ų122133.9 Ų133.965%0.65277%0.77SS**  trans72.6103.8156.6-62.7-13.1000123.1
500T37.7Very low37.5Very low136 Ų136132.1 Ų132.183%0.83477%0.768SS**  trans68.5154.5131.5510000122.3
501P41.1Very low37.2Very low113 Ų113136.3 Ų136.373%0.73478%0.776SS**  trans-115.8157.6-160.340.8-29.8000116
502D34Very low36.7Very low154 Ų154135.4 Ų135.482%0.82478%0.776SS**  trans-164.7149.7130.6-124.4-29.4000113.9
503T35Very low36.3Very low118 Ų118132.5 Ų132.572%0.72477%0.772SS**  trans51122.8156.2-58.90000122.7
504S33.4Very low35.8Very low122 Ų122132.6 Ų132.685%0.85377%0.773SS**  trans82.4152.4157.279.30000121
505G34.5Very low35.1Very low73 Ų73137.6 Ų137.675%0.75378%0.78SS**  trans90.8105.8-173.900000112.8
506F31.6Very low35.2Very low202 Ų202137.8 Ų137.889%0.88678%0.778SS**  82.6156.359.8-149.4-90.9000114.2
507T33.5Very low34.9Very low122 Ų122139.6 Ų139.675%0.74879%0.785SS**  trans69.8143.2-168.71.70000113.6
508T32.1Very low34.9Very low125 Ų125138.2 Ų138.277%0.76779%0.786SS**  cis-136.4134.28.4-53.90000111.5
509M33.7Very low34.8Very low163 Ų163136 Ų13680%0.80379%0.787SS**  trans-109.8145.8168.1-78.7-91.2-83.400109.7Q511M509-Q511 PolarHBondContact O-N 3.12Å
510P37.5Very low34.5Very low118 Ų118136 Ų13677%0.76680%0.797SS**PPolyproline II helixtrans-67.4127.2168.829.3-32.9000109.7
511Q32.1Very low34.5Very low190 Ų190136.2 Ų136.289%0.88880%0.797SS**PPolyproline II helixtrans-77145-176.5-69.7177.4-34.600112.3M509M509-Q511 PolarHBondContact O-N 3.12Å
512L29.7Very low34.1Very low151 Ų151139.3 Ų139.379%0.79180%0.802SS**PPolyproline II helixtrans-78.5153.5160.5-86.376.3000109.8T514L512-T514 PolarHBondContact O-N 3.01Å
513P37.9Very low34.3Very low114 Ų114139 Ų13974%0.7481%0.806SS**PPolyproline II helixtrans-66.4120.7170.628.2-33.8000110.8
514T32.7Very low34.3Very low134 Ų134137.9 Ų137.982%0.82281%0.809SS**PPolyproline II helixtrans-84.6133174.449.30000111.4L512L512-T514 PolarHBondContact O-N 3.01Å
515Y33.8Very low34.7Very low210 Ų210138 Ų13882%0.82481%0.807SS**PPolyproline II helixtrans-97.1147161.5-74.1-85.4000109.8
516P40.3Very low34.8Very low117 Ų117144.1 Ų144.176%0.7682%0.816SS**PPolyproline II helixtrans-80.8136.6-166.830.8-35.2000113.6
517T31.1Very low35Very low134 Ų134137.5 Ų137.582%0.82280%0.804SS**PPolyproline II helixtrans-81.4133.1162.3-55.50000109.3
518V38.6Very low35.3Very low138 Ų138139 Ų13984%0.83681%0.812SS**PPolyproline II helixtrans-102.4121.8165.8-179.70000108.3
519S34.4Very low35.3Very low101 Ų101141.7 Ų141.771%0.70682%0.817SS**PPolyproline II helixtrans-96.7148.8178.152.40000111.9
520S29.6Very low35.4Very low121 Ų121138.5 Ų138.585%0.84682%0.816SS**PPolyproline II helixtrans-58.5141.8-179.8-42.30000113.8
521V38.4Very low35.4Very low141 Ų141137.1 Ų137.186%0.85582%0.815SS**  trans-134.6145.8151.7-178.60000107.9
522E32.8Very low35.6Very low177 Ų177134.3 Ų134.383%0.82781%0.811SS**  trans-113.8134.4-166.6167.4-177.3-151.600110.4
523T37.1Very low36Very low148 Ų148134.1 Ų134.191%0.90882%0.816SS**  trans-168.6164154.72.30000112.5
524A36.3Very low36.1Very low95 Ų95132.8 Ų132.879%0.78581%0.814SS**  trans-98.2170-164.300000114.9
525P41.9Very low36.4Very low124 Ų124132.4 Ų132.481%0.80581%0.812SS**  trans-109.5147-168.739.1-31.2000116.2
526E36.7Very low36.6Very low202 Ų202129.9 Ų129.994%0.94481%0.808SS**  trans-158159.6155.1-99.5171.1-160.500105.2
527G35.2Very low36.6Very low62 Ų62131.6 Ų131.664%0.63981%0.806SS**  cis161.2-179.27.300000108.4
528V38.6Very low37Very low153 Ų153130.2 Ų130.293%0.92781%0.808SS**  trans74.6161.7171.6-168.10000116.2
529Q32.7Very low37Very low183 Ų183126.7 Ų126.786%0.85580%0.799SS**  trans-139.4177.2-156.4-58.2170.8-2700113.4
530A35.8Very low37.4Very low96 Ų96129.8 Ų129.879%0.79381%0.808SS**  trans101.3165.1140.200000120.9
531A37Very low37.9Very low89 Ų89131.8 Ų131.874%0.73680%0.801SS**  trans65.1113.8-175.200000116.3
532T37.2Very low38.1Very low131 Ų131130.3 Ų130.380%0.80480%0.795SS**  cis86.497.721.980.20000118.2
533T38.5Very low38.5Very low147 Ų147128.6 Ų128.690%0.90279%0.787SS**  trans-176.5156.5138.529.50000108.3
534A38.4Very low38.6Very low85 Ų85130.3 Ų130.370%0.70278%0.784SS**  cis160.9134.8-32.400000107.1
535T39.7Very low39.2Very low127 Ų127131.9 Ų131.978%0.77979%0.787SS**  trans167.7112152.2-730000110
536E38.9Very low39Very low156 Ų156131 Ų13173%0.72979%0.789SS**  trans41.3156.7139.2-55.1-164.286.400122.9
537Q39.1Very low39.2Very low154 Ų154125 Ų12572%0.7277%0.774SS**  cis-153.6158.216.1-144.2157.158.100113.4
538A40.2Very low39.5Very low104 Ų104131 Ų13186%0.8679%0.786SS**  trans7.8148.5166.400000123.4
539G39Very low39.6Very low64 Ų64129 Ų12966%0.6678%0.779SS**  cis165.6178.8-2.300000115.2
540N42.5Very low39.9Very low167 Ų167123.8 Ų123.889%0.89377%0.774SS**  trans69.9142.3175.7-57.9-33000118.9
541K39.5Very low40.1Very low162 Ų162125.7 Ų125.770%0.70478%0.775SS**  cis-162.8141.4-30.9-162.6-175.5176-156.30109.3E543K541-E543 WeakPolarHBondContact CE-OE1 3.36Å; K541-E543 IonicContact NZ-OE1 2.64Å; K541-E543 PolarHBondContact NZ-OE1 3.45Å
542P42.4Very low40.3Very low110 Ų110130.7 Ų130.771%0.71478%0.781SS**  trans-126.5151.7-174.641.2-29000117
543E41.6Very low40.3Very low141 Ų141131 Ų13166%0.65977%0.773SS**  trans-165.1150167.1-76.8100.4-179.900108.6K541K541-E543 WeakPolarHBondContact CE-OE1 3.36Å; K541-E543 IonicContact NZ-OE1 2.64Å; K541-E543 PolarHBondContact NZ-OE1 3.45Å
544Q39.7Very low40.3Very low184 Ų184134 Ų13486%0.8677%0.768SS**  cis-165.3151.9-25.9-135.3176.9106.200110.3
545P48.2Very low40.8Very low129 Ų129134.9 Ų134.984%0.83877%0.766SS**  trans-125.9152-168.541-28.6000119.4
546A39.2Very low40.8Very low104 Ų104134.8 Ų134.886%0.8677%0.765SS**  trans-175.7157.5163.700000111.3
547A39.5Very low40.7Very low76 Ų76133.6 Ų133.663%0.62876%0.764SS**  cis-169.5155.1-21.300000111.4
548Q41.2Very low40.7Very low188 Ų188133.8 Ų133.888%0.87977%0.769SS**  trans62.9157.2154-67.8164.831.200119.6
549S40.8Very low40.6Very low113 Ų113133.8 Ų133.879%0.7977%0.769SS**  cis-171.9151.9-22.455.50000111
550G39.1Very low40.3Very low72 Ų72135.1 Ų135.174%0.74277%0.774SS**  trans167.4132.7166.200000115.2
551V39.8Very low40.7Very low136 Ų136133.1 Ų133.182%0.82477%0.77SS**  trans-149136-170.3176.30000113.5
552K41.6Very low40.6Very low195 Ų195129.8 Ų129.885%0.84877%0.773SS**  trans172.6137.4148-100.2168.5-179.5-176.80108.5
553E38.2Very low40.5Very low136 Ų136129.4 Ų129.464%0.63678%0.778SS**  cis66.413242.2-62.9-142.1136.500114.3
554R37.4Very low40.4Very low211 Ų211127.7 Ų127.780%0.79678%0.782SS**  cis-155.4-178.7-2.6-113-168.9-155.2-120.5-6.3109.8
555P48.6Very low40.3Very low104 Ų104124.2 Ų124.268%0.67578%0.778SS**  trans-109.4-177.8-161.341.8-35.5000115.4
556V39.8Very low39.9Very low124 Ų124123.2 Ų123.275%0.75278%0.781SS**  157.9153.6124.1-70.70000114.6
557D37.6Very low40Very low132 Ų132128 Ų12871%0.70678%0.782SS**  trans85.6111.6145.5-65.4-14.6000126.6
558L38.3Very low40.7Very low158 Ų158129.9 Ų129.983%0.82779%0.788SS**  85.7142.9128-95.471.8000125.3
559A38.2Very low41Very low103 Ų103126.8 Ų126.885%0.85178%0.784SS**  trans86.3146.8153.700000122
560A33.3Very low40.9Very low93 Ų93127.8 Ų127.877%0.76978%0.781SS**  trans-153.9-16517800000107.1
561P50.8Low40.9Very low125 Ų125129.8 Ų129.881%0.81278%0.778SS**  cis-134.4-166.7-12.342.3-24.3000113.9
562A38.2Very low40.7Very low92 Ų92130.9 Ų130.976%0.7677%0.774SS**  trans137.3145.1132.700000118.6
563A39.1Very low40.4Very low101 Ų101127.7 Ų127.784%0.83577%0.771SS**  trans64.5151.1155.600000120.2
564S39.6Very low40.2Very low105 Ų105128.6 Ų128.673%0.73478%0.779SS**  cis-159.6149.2-9.749.40000114.2
565S38.3Very low40.6Very low112 Ų112123.1 Ų123.178%0.78377%0.771SS**  trans41.7126.6144.864.30000124.3
566A39.1Very low40.1Very low107 Ų107125.4 Ų125.488%0.88478%0.777SS**  -173168.4121.700000112
567K42.3Very low39.7Very low206 Ų206129.3 Ų129.390%0.89678%0.78SS**  trans-134.2160.8-176.9-111-169.5175.3-179.10113.8
568P53.7Low39.7Very low115 Ų115128.9 Ų128.975%0.74778%0.781SS**  trans-110.1179-173.142.7-35.8000114.9
569P48.2Very low39.7Very low122 Ų122128.8 Ų128.879%0.79277%0.774SS**  trans-125.7120.6162.836-21.2000116.2
570N38.2Very low39.4Very low135 Ų135131.6 Ų131.672%0.72277%0.77SS**  trans7.9142.6131.2-170.430.5000121.4
571V39.3Very low39.7Very low114 Ų114134.5 Ų134.569%0.69178%0.778SS**  177.7123.3118.9151.40000114.7
572Q35.1Very low38.8Very low158 Ų158131.4 Ų131.474%0.73877%0.769SS**  trans17.6143.3144.4-51.4169.4-4.900121.2
573T35.6Very low39.2Very low128 Ų128133.2 Ų133.279%0.78577%0.773SS**  -170.8169.981.8-640000113
574I34.4Very low39.1Very low156 Ų156132.8 Ų132.880%0.877%0.769SS**  trans-153.9173.9-166.812.4162.8000109.2
575P44.5Very low38.8Very low96 Ų96132 Ų13262%0.62377%0.769SS**  cis-142.2-174.96.146-27.7000117.5
576N37.8Very low38.9Very low151 Ų151133.4 Ų133.481%0.80777%0.773SS**  trans51.1153.9145.7-57.1-19.8000121.5
577Y33Very low38.7Very low207 Ų207131.9 Ų131.981%0.81277%0.767SS**  -178.6178.150.5-169.7-136000112.8
578V37.5Very low38.9Very low122 Ų122128.2 Ų128.274%0.73977%0.765SS**  trans76.3156.6167.3-161.30000118.1
579K37Very low38.8Very low156 Ų156129 Ų12968%0.67877%0.77SS**  -171.6134.2-65.1-173.5173.7178-176.30112.2
580Q33.6Very low38.3Very low163 Ų163129.2 Ų129.276%0.76277%0.774SS**  trans23.3125158.5-58.7175.8-68.700122.7
581V38.6Very low38.5Very low153 Ų153125.7 Ų125.793%0.92777%0.77SS**  trans-147.3152.8135.2-174.70000110
582G32.3Very low38.6Very low61 Ų61129.6 Ų129.663%0.62978%0.781SS**  trans-161-173.9162.300000108.8
583P46.7Very low38.8Very low130 Ų130127.8 Ų127.884%0.84479%0.786SS**  cis-135.5-152.85.142.8-23.1000113.4
584A36.5Very low39.1Very low92 Ų92125.4 Ų125.476%0.7679%0.787SS**  trans100.5110.1150.700000122.1
585A33.9Very low39.2Very low88 Ų88125.8 Ų125.873%0.72779%0.789SS**  79.4154.8126.600000124
586T39.3Very low39.3Very low142 Ų142127 Ų12787%0.87180%0.797SS**  trans77.4117.5162.861.40000122
587G36Very low39.3Very low74 Ų74128.7 Ų128.776%0.76380%0.8SS**  88.7111.2121.100000121
588P46.6Very low39.8Very low129 Ų129123.9 Ų123.984%0.83880%0.804SS**  trans-99.5156.3164.837.9-32.4000113.5
589P50.2Low39.8Very low131 Ų131121.7 Ų121.785%0.85181%0.806SS**  trans-120.2176.8161.337.6-26000113.9
590S39.3Very low40.1Very low128 Ų128121.5 Ų121.590%0.89582%0.817SS**  trans-131.7165.3-161.856.70000115.6
591G40.7Very low40.3Very low61 Ų61123.9 Ų123.963%0.62983%0.825SS**  trans-164.9116.916400000109.8
592Q41.2Very low40.3Very low195 Ų195120.6 Ų120.691%0.91182%0.822SS**  69.8134.287-71.1-173.53800113.5
593S40Very low40.5Very low121 Ų121123.5 Ų123.585%0.84683%0.833SS**  cis-160.2170.78.255.50000112.2
594G43Very low40Very low78 Ų78122.1 Ų122.180%0.80483%0.832SS**  trans147.6120.6167.300000116
595L35.8Very low40.1Very low164 Ų164123.9 Ų123.986%0.85983%0.834SS**  trans-136.5177.6-179.2-87.1170.4000108.9
596P46.9Very low40.1Very low122 Ų122127.1 Ų127.179%0.79284%0.838SS**  cis-135.7-165.213.939.6-17.8000116.4
597E36.3Very low40Very low185 Ų185127.8 Ų127.886%0.86484%0.835SS**  trans-89.9163.7-170.9-53166.292.100116.3
598A43.7Very low40.3Very low107 Ų107128.4 Ų128.488%0.88483%0.833SS**  trans-150.5143.6134.300000109.2
599G37.6Very low40.4Very low76 Ų76128.2 Ų128.278%0.78483%0.832SS**  trans-154.7164-172.300000116.3
600V44.1Very low40.2Very low152 Ų152128 Ų12892%0.92183%0.83SS**  trans-137.5147.4177.6-178.90000109.5
601K36.7Very low40Very low213 Ų213126.7 Ų126.793%0.92683%0.828SS**  trans-97.9145.3-171.5-61.6175.1-178.61750113
602G39.1Very low40.1Very low84 Ų84129.5 Ų129.587%0.86684%0.837SS**  trans-154.5145.1165.400000109.4
603S35.8Very low39.8Very low122 Ų122124.2 Ų124.285%0.85383%0.827SS**  trans-126.6135.9-164.1-172.50000113.9
604A38.1Very low39.7Very low100 Ų100125.7 Ų125.783%0.82683%0.825SS**  trans-151.5144.1162.500000109.9
605T36.6Very low39.5Very low130 Ų130129.8 Ų129.880%0.79883%0.828SS**  trans-89.1140.9-168.2-530000113.3
606L34.8Very low39.7Very low155 Ų155126 Ų12681%0.81282%0.821SS**  trans-121.6136.6169.9-132.3170.5000108.9
607L37.8Very low39Very low157 Ų157127.7 Ų127.782%0.82282%0.818SS**  trans-128.3125.5-173.5-113.3167.4000111
608A41Very low39.1Very low86 Ų86127.8 Ų127.871%0.71182%0.818SS**  trans-122.5150.3171.900000110
609P49.8Very low38.7Very low126 Ų126132.5 Ų132.582%0.81881%0.813SS**  trans-99.9154162.6-3.824.7000112.3
610P45.9Very low38.8Very low126 Ų126135.5 Ų135.582%0.81881%0.807SS**  trans-109.9-178.2-163.942.4-35.9000114.7
611A35.4Very low38.5Very low101 Ų101135.8 Ų135.884%0.83580%0.798SS**  trans-99.8151.6159.500000110.8
612S41.7Very low38.4Very low119 Ų119132.2 Ų132.283%0.83279%0.794SS**  trans-152.3142.8175.954.80000110.7
613A35.3Very low38.4Very low84 Ų84132.2 Ų132.269%0.69479%0.794SS**  trans-103.3169.4175.600000111.4
614D38.8Very low38.3Very low152 Ų152132.4 Ų132.481%0.81380%0.796SS**  166.9173.5120.8-87.4-22.2000114.1
615L39Very low38.3Very low164 Ų164131.6 Ų131.686%0.85980%0.796SS**  trans81.883.9160.6-71.6141.5000120.4
616A38.4Very low38.2Very low85 Ų85133.9 Ų133.970%0.70280%0.798SS**  68.2117.3106.300000122.8
617E34Very low38.4Very low157 Ų157136 Ų13673%0.73480%0.801SS**  66111.1122.7-161.3175.3-150.900121.2
618Q37.8Very low38.2Very low187 Ų187133.2 Ų133.287%0.87479%0.794SS**  -163.5168.2106.3-101.9-174.820.500113.6
619R35.5Very low37.8Very low207 Ų207135.7 Ų135.778%0.78180%0.795SS**  trans-76.1175.9-169.1-57.2171.8175.6-176.5-3.5111.3
620Q39.7Very low37.1Very low139 Ų139140.3 Ų140.365%0.6580%0.796SS**  cis-172.9142.632-156.4157.2-10.400112.6
621Q37.1Very low36.3Very low158 Ų158139.5 Ų139.574%0.73879%0.793SS**  trans46.7151.6143.5-66.3171.9-25.500120.9
622T35.3Very low36.4Very low138 Ų138142.9 Ų142.985%0.84780%0.797SS**  cis-165.8159.53.813.50000109.2
623G38.1Very low35.9Very low83 Ų83148.5 Ų148.586%0.85680%0.8SS**  trans158100.9162.900000115.5
624S34.6Very low36.5Very low127 Ų127150.1 Ų150.189%0.88880%0.803SS**  trans-112150-178.254.90000113
625G38Very low36.5Very low82 Ų82151.5 Ų151.585%0.84581%0.807SS**  trans-168.998171.500000114.3
626E34.2Very low36.2Very low178 Ų178151.6 Ų151.683%0.83280%0.803SS**  trans-90.2149.9173.5-58.3176.7104.700112.6
627K38.9Very low36.1Very low200 Ų200156.8 Ų156.887%0.8781%0.812SS**  155.6164.6127.6-82.8152.7-170.5171.80111.2
628S33.9Very low35.9Very low98 Ų98156.1 Ų156.169%0.68582%0.819SS**  cis171.7151.9-40.1-173.20000108.5
629L32.1Very low35.8Very low139 Ų139150.8 Ų150.873%0.72881%0.814SS**  trans77.5134.9157.1-78.7158.7000123.1
630R34.5Very low35.8Very low223 Ų223146.7 Ų146.784%0.84282%0.817SS**  trans72.3129.4154.1-63.3163.7-171.7-174.22.2117.7
631S30.7Very low36Very low108 Ų108145.9 Ų145.976%0.75583%0.825SS**  cis87.7101.424.3-174.30000116.2
632L36.9Very low36.2Very low173 Ų173144.2 Ų144.291%0.90683%0.827SS**  trans-143.4157150.4-76.1-177.8000110.8
633R32.2Very low36Very low237 Ų237141.2 Ų141.289%0.89482%0.824SS**  trans-129.5-161.2169.1-68.2-167.9-172.7-178.23.9107.6
634P47.9Very low35.9Very low117 Ų117145.8 Ų145.876%0.7683%0.827SS**  -119.5-175.1-79.537.9-23000111.1
635M37.4Very low35.7Very low182 Ų182144.7 Ų144.790%0.89782%0.819SS**  trans-151.6161.6144.9-137.1175-179.300112.5
636E32.5Very low35.4Very low166 Ų166152.5 Ų152.578%0.77682%0.823SS**  trans-96.4161.5-175.5-54.8161.2115.900111.5
637Q36.6Very low35.2Very low193 Ų193148.6 Ų148.690%0.90282%0.821SS**  -163.7167.9122.8-108.2167.139.400112.1
638T29.9Very low34.9Very low143 Ų143145 Ų14588%0.87782%0.819SS**  trans-111.8155.6-158.348.50000113.2
639G35.4Very low34.7Very low75 Ų75145.3 Ų145.377%0.77382%0.82SS**  trans179.5111.4174.100000114.8
640S35Very low34.5Very low121 Ų121148.2 Ų148.285%0.84683%0.83SS**  trans-158134.3164.9-67.40000107
641P44.6Very low34Very low123 Ų123143.2 Ų143.280%0.79983%0.829SS**  -153.4-155.510337.9-16.8000111.7
642P41.2Very low33.8Very low123 Ų123142 Ų14280%0.79983%0.833SS**  -113.1173.6-61.730-14.3000111.5
643G30.8Very low33.6Very low75 Ų75137.9 Ų137.977%0.77382%0.819SS**  trans-90.7161.9178.800000115.2
644I36.5Very low33.6Very low178 Ų178136 Ų13691%0.91382%0.817SS**  trans-121.4146.7161.7-74.4177.3000108.6
645S30.2Very low32.9Very low105 Ų105136.7 Ų136.773%0.73481%0.81SS**  trans-105.6143.2-168.855.30000113.6
646R31.3Very low32.8Very low246 Ų246130.4 Ų130.493%0.92878%0.784SS**  -178125.7128.9-103.3168.1173.5175.7-2.3110.8
647A30.4Very low33.1Very low96 Ų96125.2 Ų125.279%0.79376%0.761SS**  trans-101.2136.6166.900000109.5
648P33.8Very low33Very low125 Ų125117.4 Ų117.481%0.81273%0.726SS**  trans-85.2133.9156.624.9-14.5000110.6
649S28.2Very low33.4Very low103 Ų103114.8 Ų114.872%0.7270%0.704SS**  trans-34.3149.3170.847.80000118.1S651S649-S651 PolarHBondContact O-N 3.41Å
650H27.8Very low33.7Very low201 Ų201114 Ų11493%0.93168%0.681SS**SBendtrans-38.8103.6166.8-71.1-89.2000114.6
651S25.9Very low33.8Very low117 Ų117109.2 Ų109.282%0.81865%0.646SS**  trans-159.7138.8150.859.90000109S649S649-S651 PolarHBondContact O-N 3.41Å
652G26Very low33.5Very low82 Ų82108.3 Ų108.385%0.84563%0.634SS**  trans116.7124.8-173.600000112.8
653S32.9Very low33.3Very low87 Ų87106.6 Ų106.661%0.60862%0.618SS**  cis-128.9124.8-11.6-176.70000109.5H655S653-H655 VanDerWaalsContact C-N 3.32Å; S653-H655 PolarHBondContact O-N 3Å; S653-H655 VanDerWaalsContact O-N 3.11Å
654K30.6Very low33.9Very low197 Ų197105.2 Ų105.286%0.85759%0.592SS**  trans-77.288.6162.1-74.3-172.7179-176.60107.5S656K654-S656 PolarHBondContact O-N 2.87Å
655H33.4Very low34.1Very low133 Ų13398.9 Ų98.962%0.61656%0.557SS**  trans-65.291.9152-71.6-39.2000106.7S653 Q659S653-H655 VanDerWaalsContact C-N 3.32Å; S653-H655 PolarHBondContact O-N 3Å; S653-H655 VanDerWaalsContact O-N 3.11Å; H655-Q659 PolarHBondContact ND1-OE1 3.22Å
656S36.8Very low34.3Very low49 Ų4999.1 Ų99.134%0.34355%0.551SS.*  trans-65.1157.6175.159.50000109.7K654 N658 Q659 I660K654-S656 PolarHBondContact O-N 2.87Å; S656-N658 PolarHBondContact O-N 2.93Å; S656-Q659 PolarHBondContact O-N 3.24Å; S656-Q659 PolarHBondContact OG-N 3.19Å; S656-I660 PolarHBondContact O-N 2.96Å
657L38.4Very low34.2Very low57 Ų5792.4 Ų92.430%0.29853%0.53SS..Hα-helixtrans-56.5-34.8173.7-161.9146.6000110.2F8 Q659 I660 M661F8-L657 HydrophobicContact CE1-CD2 4.18Å; F8-L657 HydrophobicContact CZ-CD2 3.98Å; L657-Q659 PolarHBondContact O-N 3.18Å; L657-I660 PolarHBondContact O-N 2.99Å; L657-M661 HydrophobicContact CD2-CE 3.81Å; L657-M661 HydrophobicContact CD2-CG 3.92Å; L657-M661 HydrophobicContact CD2-SD 3.71Å; L657-M661 WeakPolarHBondContact O-CG 3.29Å; L657-M661 PolarHBondContact O-N 3.11Å
658N34.9Very low34.3Very low30 Ų3093.6 Ų93.616%0.1651%0.514CS..Hα-helixtrans-59.7-39.6171.2-41.153.5000113.1D10 S656 I660 M661 N662D10-N658 PolarHBondContact OD2-ND2 3.02Å; S656-N658 PolarHBondContact O-N 2.93Å; N658-I660 VanDerWaalsContact C-N 3.34Å; N658-M661 PolarHBondContact O-N 2.73Å; N658-N662 WeakPolarHBondContact O-CB 3.29Å; N658-N662 PolarHBondContact O-N 3.17Å; N658-N662 PolarHBondContact O-ND2 2.83Å
659Q37.1Very low34.2Very low87 Ų8789.6 Ų89.641%0.40749%0.488SS..Hα-helixtrans-69.3-35.1177-167.616741.900111.5H655 S656 L657 D663H655-Q659 PolarHBondContact ND1-OE1 3.22Å; S656-Q659 PolarHBondContact O-N 3.24Å; S656-Q659 PolarHBondContact OG-N 3.19Å; L657-Q659 PolarHBondContact O-N 3.18Å; Q659-D663 PolarHBondContact O-N 2.7Å
660I41.6Very low34.1Very low60 Ų6090.1 Ų90.131%0.30848%0.48SS..Hα-helixtrans-65.3-47172.2-61.2174.4000110.3F46 S656 L657 N658 H664F46-I660 HydrophobicContact CE1-CD1 4.48Å; S656-I660 PolarHBondContact O-N 2.96Å; L657-I660 PolarHBondContact O-N 2.99Å; N658-I660 VanDerWaalsContact C-N 3.34Å; I660-H664 VanDerWaalsContact O-CB 3.25Å; I660-H664 WeakPolarHBondContact O-CB 3.12Å; I660-H664 PolarHBondContact O-CD2 2.87Å
661M38.2Very low34.2Very low20 Ų2084.5 Ų84.510%0.09947%0.469CS..Hα-helixtrans-62-43.8178.2-70.2-169.3-60.100113F8 L657 N658 H664F8-M661 HydrophobicContact CD2-CE 4.36Å; F8-M661 HydrophobicContact CE2-CE 4.35Å; L657-M661 HydrophobicContact CD2-CE 3.81Å; L657-M661 HydrophobicContact CD2-CG 3.92Å; L657-M661 HydrophobicContact CD2-SD 3.71Å; L657-M661 WeakPolarHBondContact O-CG 3.29Å; L657-M661 PolarHBondContact O-N 3.11Å; N658-M661 PolarHBondContact O-N 2.73Å; M661-H664 PolarHBondContact O-N 2.68Å
662N38.2Very low34.5Very low103 Ų10383.9 Ų83.955%0.55147%0.471SS*.Hα-helixtrans-69.9-33.8-175.7-79-64.6000113.3N658 H664N658-N662 WeakPolarHBondContact O-CB 3.29Å; N658-N662 PolarHBondContact O-N 3.17Å; N658-N662 PolarHBondContact O-ND2 2.83Å; N662-H664 PolarHBondContact O-N 2.99Å
663D36.4Very low35.1Very low88 Ų8884.3 Ų84.347%0.47145%0.454SS..THydrogen-bonded Turntrans-78.1-2.2174.3-97.1-33.9000113.6Q659 Q667Q659-D663 PolarHBondContact O-N 2.7Å; D663-Q667 PolarHBondContact OD1-NE2 3.32Å
664H42.8Very low35.7Very low46 Ų4683.9 Ų83.921%0.21345%0.449CS..THydrogen-bonded Turntrans-105.5-39.7-165.4-96.2-128.2000116.7N66 G67 K68 I660 M661 N662N66-H664 PolarHBondContact O-CE1 2.85Å; G67-H664 VanDerWaalsContact C-CE1 3.41Å; G67-H664 PolarHBondContact O-ND1 3.22Å; K68-H664 WeakPolarHBondContact CE-CE1 3.24Å; K68-H664 WeakPolarHBondContact CE-NE2 3.13Å; K68-H664 WeakPolarHBondContact CG-CE1 3.47Å; I660-H664 VanDerWaalsContact O-CB 3.25Å; I660-H664 WeakPolarHBondContact O-CB 3.12Å; I660-H664 PolarHBondContact O-CD2 2.87Å; M661-H664 PolarHBondContact O-N 2.68Å; N662-H664 PolarHBondContact O-N 2.99Å
665F41Very low36.3Very low44 Ų4479.6 Ų79.619%0.19343%0.434CS..SBendtrans-92.3-11.2-160.3-91.8-79.4000117.2Y52 W64Y52-F665 HydrophobicContact CD1-CD1 4.21Å; Y52-F665 AromaticContact CD1-CE1 3.75Å; Y52-F665 HydrophobicContact CD1-CE1 3.75Å; Y52-F665 HydrophobicContact CD2-CD1 4.24Å; Y52-F665 AromaticContact CD2-CE1 3.38Å; Y52-F665 HydrophobicContact CD2-CE1 3.38Å; Y52-F665 AromaticContact CD2-CZ 3.58Å; Y52-F665 HydrophobicContact CD2-CZ 3.58Å; Y52-F665 AromaticContact CE1-CD1 3.62Å; Y52-F665 HydrophobicContact CE1-CD1 3.62Å; Y52-F665 AromaticContact CE1-CE1 3.61Å; Y52-F665 HydrophobicContact CE1-CE1 3.61Å; Y52-F665 AromaticContact CE2-CD1 3.66Å; Y52-F665 HydrophobicContact CE2-CD1 3.66Å; Y52-F665 HydrophobicContact CE2-CD2 4.5Å; Y52-F665 AromaticContact CE2-CE1 3.21Å; Y52-F665 HydrophobicContact CE2-CE1 3.21Å; Y52-F665 HydrophobicContact CE2-CE2 4.13Å; Y52-F665 HydrophobicContact CE2-CG 4.28Å; Y52-F665 AromaticContact CE2-CZ 3.47Å; Y52-F665 HydrophobicContact CE2-CZ 3.47Å; Y52-F665 VanDerWaalsContact CE2-CZ 3.47Å; Y52-F665 HydrophobicContact CG-CD1 4.48Å; Y52-F665 AromaticContact CG-CE1 3.64Å; Y52-F665 HydrophobicContact CG-CE1 3.64Å; Y52-F665 HydrophobicContact CG-CZ 4.21Å; Y52-F665 AromaticContact CZ-CD1 3.28Å; Y52-F665 AromaticContact CZ-CE1 3.31Å; Y52-F665 WeakPolarHBondContact OH-CD1 3.4Å; W64-F665 AromaticContact CH2-CE1 3.82Å; W64-F665 HydrophobicContact CH2-CE1 3.82Å; W64-F665 AromaticContact CH2-CZ 3.75Å; W64-F665 HydrophobicContact CH2-CZ 3.75Å; W64-F665 AromaticContact CZ3-CE1 3.96Å; W64-F665 HydrophobicContact CZ3-CE1 3.96Å; W64-F665 AromaticContact CZ3-CZ 3.59Å; W64-F665 HydrophobicContact CZ3-CZ 3.59Å
666D33.8Very low36.7Very low111 Ų11176 Ų7659%0.59443%0.427SS*.SBendtrans-134.40.4-178.3-101.9-42.1000117.5Y668D666-Y668 PolarHBondContact O-N 2.84Å
667Q30.9Very low36.9Very low105 Ų10576.3 Ų76.349%0.49143%0.433SS..THydrogen-bonded Turntrans-65.8-8.9-173.7-81.3-163.415.700116.4D663D663-Q667 PolarHBondContact OD1-NE2 3.32Å
668Y31Very low37.6Very low120 Ų12082.3 Ų82.347%0.47145%0.451SS..THydrogen-bonded Turntrans-138.152.2-173.9-73.1-70.4000116.7Y90 D666Y90-Y668 AromaticContact CE1-CD1 3.62Å; Y90-Y668 HydrophobicContact CE1-CD1 3.62Å; Y90-Y668 HydrophobicContact CE1-CD2 4.43Å; Y90-Y668 HydrophobicContact CE1-CE1 4.13Å; Y90-Y668 AromaticContact CE1-CG 3.82Å; Y90-Y668 HydrophobicContact CE1-CG 3.82Å; Y90-Y668 AromaticContact CZ-CD1 3.74Å; Y90-Y668 AromaticContact CZ-CE1 3.85Å; Y90-Y668 AromaticContact CZ-CG 3.85Å; Y90-Y668 WeakPolarHBondContact OH-CD1 3.24Å; Y90-Y668 WeakPolarHBondContact OH-CE1 3.46Å; D666-Y668 PolarHBondContact O-N 2.84Å
669T31.6Very low38.3Very low41 Ų4185.8 Ų85.825%0.25247%0.469SS..SBendtrans-133.7-17.6156.8-14.10000116
670M27.9Very low38.8Very low114 Ų11486.1 Ų86.156%0.56247%0.47SS*.SBendtrans-125.3166.5-176.1-76.7174.5154.800112.5A174 E175A174-M670 HydrophobicContact CB-CE 4.24Å; A174-M670 WeakPolarHBondContact O-CE 3.35Å; E175-M670 HydrophobicContact CG-CE 4.08Å
671A28.7Very low39.3Very low84 Ų8489 Ų8969%0.69448%0.482SS*.  trans54.1103.6175.400000117N673A671-N673 PolarHBondContact O-N 3.46Å
672A31.5Very low40.4Very low103 Ų10390.5 Ų90.585%0.85150%0.498SS*.  trans-69.193.4170.700000111.8P674A672-P674 VanDerWaalsContact O-CD 3.26Å; A672-P674 WeakPolarHBondContact O-CD 3.47Å; A672-P674 VanDerWaalsContact O-N 3.08Å
673N39.5Very low41.2Very low92 Ų9290 Ų9049%0.49250%0.495SS..  trans-56.8112.6178.7-178-23.2000111.3A671 I675 A676 A677A671-N673 PolarHBondContact O-N 3.46Å; N673-I675 PolarHBondContact O-N 3.22Å; N673-I675 WeakPolarHBondContact OD1-CA 3.49Å; N673-I675 VanDerWaalsContact OD1-CB 3.27Å; N673-I675 WeakPolarHBondContact OD1-CB 3.48Å; N673-I675 PolarHBondContact OD1-N 3.45Å; N673-A676 HydrophobicContact CB-CB 4.12Å; N673-A676 PolarHBondContact O-N 2.93Å; N673-A676 PolarHBondContact OD1-N 2.95Å; N673-A677 PolarHBondContact O-N 3.49Å
674P45.9Very low41.8Very low78 Ų7889.2 Ų89.251%0.50649%0.491SS..Hα-helixtrans-70-20.4-175.129-35.3000112.5A672 R678A672-P674 VanDerWaalsContact O-CD 3.26Å; A672-P674 WeakPolarHBondContact O-CD 3.47Å; A672-P674 VanDerWaalsContact O-N 3.08Å; P674-R678 WeakPolarHBondContact O-CB 3.41Å; P674-R678 WeakPolarHBondContact O-CD 3.26Å; P674-R678 WeakPolarHBondContact O-CG 3.19Å; P674-R678 PolarHBondContact O-N 2.86Å
675I41.9Very low42.3Very low107 Ų10790.1 Ų90.155%0.54950%0.499SS..Hα-helixtrans-72.9-42.6175.2-50.6177.2000109.6N673 A677 R678 L679N673-I675 PolarHBondContact O-N 3.22Å; N673-I675 WeakPolarHBondContact OD1-CA 3.49Å; N673-I675 VanDerWaalsContact OD1-CB 3.27Å; N673-I675 WeakPolarHBondContact OD1-CB 3.48Å; N673-I675 PolarHBondContact OD1-N 3.45Å; I675-A677 PolarHBondContact O-N 2.83Å; I675-R678 PolarHBondContact O-N 3.28Å; I675-L679 HydrophobicContact CG2-CD1 4.04Å; I675-L679 HydrophobicContact CG2-CG 4.39Å; I675-L679 WeakPolarHBondContact O-CB 3.3Å; I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.28Å; I675-L679 PolarHBondContact O-N 3.34Å
676A42.1Very low42.7Very low56 Ų5696.8 Ų96.846%0.46352%0.523SS..Hα-helixtrans-62.8-41.8174.800000111.6N673 L679 F680N673-A676 HydrophobicContact CB-CB 4.12Å; N673-A676 PolarHBondContact O-N 2.93Å; N673-A676 PolarHBondContact OD1-N 2.95Å; A676-L679 PolarHBondContact O-N 3.44Å; A676-F680 WeakPolarHBondContact O-CB 3.41Å; A676-F680 PolarHBondContact O-N 3.35Å
677A42.7Very low43.2Very low56 Ų5698.7 Ų98.746%0.46353%0.529SS..Hα-helixtrans-61.3-48.4173.200000112.2N673 I675 L679 F680 E681N673-A677 PolarHBondContact O-N 3.49Å; I675-A677 PolarHBondContact O-N 2.83Å; A677-L679 PolarHBondContact O-N 3.2Å; A677-F680 PolarHBondContact O-N 3.07Å; A677-E681 PolarHBondContact O-N 2.92Å
678R51.5Low44Very low183 Ų183101.2 Ų101.269%0.69154%0.54SS*.Hα-helixtrans-62-39.7176.9-76169.8-179.8-178.51.9112.8P674 I675 E681 A682P674-R678 WeakPolarHBondContact O-CB 3.41Å; P674-R678 WeakPolarHBondContact O-CD 3.26Å; P674-R678 WeakPolarHBondContact O-CG 3.19Å; P674-R678 PolarHBondContact O-N 2.86Å; I675-R678 PolarHBondContact O-N 3.28Å; R678-E681 PolarHBondContact O-N 3.08Å; R678-A682 VanDerWaalsContact O-CB 3.25Å; R678-A682 WeakPolarHBondContact O-CB 3.25Å; R678-A682 PolarHBondContact O-N 2.9Å
679L51Low44.8Very low103 Ų103103.4 Ų103.454%0.53955%0.552SS.*Hα-helixtrans-67.9-36.1175.6-74171.3000111.9I675 A676 A677 N683I675-L679 HydrophobicContact CG2-CD1 4.04Å; I675-L679 HydrophobicContact CG2-CG 4.39Å; I675-L679 WeakPolarHBondContact O-CB 3.3Å; I675-L679 VanDerWaalsContact O-CG 3.3Å; I675-L679 WeakPolarHBondContact O-CG 3.28Å; I675-L679 PolarHBondContact O-N 3.34Å; A676-L679 PolarHBondContact O-N 3.44Å; A677-L679 PolarHBondContact O-N 3.2Å; L679-N683 WeakPolarHBondContact O-CB 3.43Å; L679-N683 PolarHBondContact O-N 2.99Å; L679-N683 PolarHBondContact O-ND2 2.84Å
680F46.8Very low44.9Very low94 Ų94111.8 Ų111.841%0.41258%0.579SS.*Hα-helixtrans-65.6-47172.5-167.5-77.2000111.4R135 A676 A677 A682 N683 L684R135-F680 VanDerWaalsContact NH2-CD1 3.32Å; A676-F680 WeakPolarHBondContact O-CB 3.41Å; A676-F680 PolarHBondContact O-N 3.35Å; A677-F680 PolarHBondContact O-N 3.07Å; F680-A682 PolarHBondContact O-N 3.15Å; F680-N683 PolarHBondContact O-N 3.37Å; F680-L684 HydrophobicContact CD1-CB 4.47Å; F680-L684 HydrophobicContact CE1-CB 4.32Å; F680-L684 HydrophobicContact CE1-CD1 4.18Å; F680-L684 HydrophobicContact CE1-CD2 4.33Å; F680-L684 WeakPolarHBondContact O-CB 3.47Å; F680-L684 PolarHBondContact O-N 2.92Å
681E52.5Low45.2Very low120 Ų120110.7 Ų110.756%0.56158%0.583SS**Hα-helixtrans-64-38.9176.8-70.3-163.1144.600112.5A677 R678 L684 T685A677-E681 PolarHBondContact O-N 2.92Å; R678-E681 PolarHBondContact O-N 3.08Å; E681-L684 PolarHBondContact O-N 2.88Å; E681-T685 VanDerWaalsContact O-CB 3.28Å; E681-T685 WeakPolarHBondContact O-CB 3Å; E681-T685 PolarHBondContact O-N 3.21Å; E681-T685 PolarHBondContact O-OG1 3.01Å
682A60Low45.7Very low53 Ų53112.7 Ų112.744%0.43859%0.589SS.*Hα-helixtrans-59.8-46.4173.200000111.4R678 F680 T685 R686R678-A682 VanDerWaalsContact O-CB 3.25Å; R678-A682 WeakPolarHBondContact O-CB 3.25Å; R678-A682 PolarHBondContact O-N 2.9Å; F680-A682 PolarHBondContact O-N 3.15Å; A682-T685 PolarHBondContact O-N 2.96Å; A682-R686 WeakPolarHBondContact O-CB 3.37Å; A682-R686 PolarHBondContact O-N 3.34Å
683N55.3Low46Very low91 Ų91113.9 Ų113.949%0.48759%0.585SS.*Hα-helixtrans-69.9-37.9178.1-81.6-35.6000113.3L679 F680 T685 R686 Q687L679-N683 WeakPolarHBondContact O-CB 3.43Å; L679-N683 PolarHBondContact O-N 2.99Å; L679-N683 PolarHBondContact O-ND2 2.84Å; F680-N683 PolarHBondContact O-N 3.37Å; N683-T685 VanDerWaalsContact C-N 3.33Å; N683-T685 PolarHBondContact O-N 3.23Å; N683-R686 WeakPolarHBondContact O-CA 3.5Å; N683-R686 WeakPolarHBondContact O-CB 3.25Å; N683-R686 PolarHBondContact O-N 2.91Å; N683-R686 VanDerWaalsContact O-N 3.09Å; N683-Q687 PolarHBondContact O-N 3.27Å
684L49.5Very low45.7Very low73 Ų73112.7 Ų112.738%0.38260%0.595SS.*Hα-helixtrans-62.8-42.4174.1-164.272.9000110.8F680 E681 R686 Q687 Q688F680-L684 HydrophobicContact CD1-CB 4.47Å; F680-L684 HydrophobicContact CE1-CB 4.32Å; F680-L684 HydrophobicContact CE1-CD1 4.18Å; F680-L684 HydrophobicContact CE1-CD2 4.33Å; F680-L684 WeakPolarHBondContact O-CB 3.47Å; F680-L684 PolarHBondContact O-N 2.92Å; E681-L684 PolarHBondContact O-N 2.88Å; L684-R686 VanDerWaalsContact C-N 3.28Å; L684-R686 PolarHBondContact O-N 3.37Å; L684-Q687 PolarHBondContact O-N 3.01Å; L684-Q688 WeakPolarHBondContact O-CG 3.37Å; L684-Q688 PolarHBondContact O-N 3.23Å
685T54Low45.3Very low65 Ų65116.4 Ų116.440%0.39961%0.609SS.*Hα-helixtrans-64.6-32.3172.5-54.90000111.9E681 A682 N683 K689E681-T685 VanDerWaalsContact O-CB 3.28Å; E681-T685 WeakPolarHBondContact O-CB 3Å; E681-T685 PolarHBondContact O-N 3.21Å; E681-T685 PolarHBondContact O-OG1 3.01Å; A682-T685 PolarHBondContact O-N 2.96Å; N683-T685 VanDerWaalsContact C-N 3.33Å; N683-T685 PolarHBondContact O-N 3.23Å; T685-K689 HydrophobicContact CG2-CD 4.25Å; T685-K689 WeakPolarHBondContact O-CB 3.4Å; T685-K689 VanDerWaalsContact O-CG 3.32Å; T685-K689 WeakPolarHBondContact O-CG 3.38Å; T685-K689 PolarHBondContact O-N 3.35Å
686R49.2Very low45.1Very low184 Ų184118.9 Ų118.969%0.69462%0.624SS**Hα-helixtrans-70.6-38.5176.3-136.7174.4-172.9-174.81.5112.1A682 N683 L684A682-R686 WeakPolarHBondContact O-CB 3.37Å; A682-R686 PolarHBondContact O-N 3.34Å; N683-R686 WeakPolarHBondContact O-CA 3.5Å; N683-R686 WeakPolarHBondContact O-CB 3.25Å; N683-R686 PolarHBondContact O-N 2.91Å; N683-R686 VanDerWaalsContact O-N 3.09Å; L684-R686 VanDerWaalsContact C-N 3.28Å; L684-R686 PolarHBondContact O-N 3.37Å
687Q43.7Very low44.7Very low151 Ų151124.6 Ų124.671%0.70664%0.641SS**Hα-helixtrans-73.4-42.8175-70.2-162.7-4.300112.2N683 L684 K689 R690N683-Q687 PolarHBondContact O-N 3.27Å; L684-Q687 PolarHBondContact O-N 3.01Å; Q687-K689 PolarHBondContact O-N 2.98Å; Q687-K689 VanDerWaalsContact O-N 3.12Å; Q687-R690 PolarHBondContact O-N 3.45Å
688Q48.3Very low44.5Very low158 Ų158131.1 Ų131.174%0.73866%0.664SS**Hα-helixtrans-65.5-13.7175.9-71.2-176.8-5.500114L684L684-Q688 WeakPolarHBondContact O-CG 3.37Å; L684-Q688 PolarHBondContact O-N 3.23Å
689K46.7Very low43.7Very low165 Ų165129.1 Ų129.172%0.71767%0.667SS**THydrogen-bonded Turntrans-94.61.9172.4-75.3178.3178.9176.30114.6T685 Q687 S691T685-K689 HydrophobicContact CG2-CD 4.25Å; T685-K689 WeakPolarHBondContact O-CB 3.4Å; T685-K689 VanDerWaalsContact O-CG 3.32Å; T685-K689 WeakPolarHBondContact O-CG 3.38Å; T685-K689 PolarHBondContact O-N 3.35Å; Q687-K689 PolarHBondContact O-N 2.98Å; Q687-K689 VanDerWaalsContact O-N 3.12Å; K689-S691 PolarHBondContact O-N 2.83Å
690R35.2Very low43.3Very low218 Ų218132.2 Ų132.282%0.82368%0.683SS**  trans-95.677.7171.3-77.8-173167.2-170-4.5110.9Q687 P692Q687-R690 PolarHBondContact O-N 3.45Å; R690-P692 WeakPolarHBondContact O-CD 3.5Å
691S33.6Very low42.9Very low91 Ų91133.1 Ų133.164%0.63670%0.699SS**  trans-74.1121.4161.851.60000109.7K689K689-S691 PolarHBondContact O-N 2.83Å
692P40Very low42.1Very low126 Ų126133.3 Ų133.382%0.81871%0.71SS**  trans-73.1127.4169.630.2-32.1000109.5R690R690-P692 WeakPolarHBondContact O-CD 3.5Å
693T36.7Very low40.7Very low127 Ų127135.7 Ų135.778%0.77973%0.73SS**  trans-123.1105176.549.70000109.7
694G34.3Very low39.9Very low68 Ų68140.9 Ų140.970%0.70175%0.748SS**  trans77.6165.3177.700000114.8
695I36.4Very low39Very low155 Ų155145 Ų14580%0.79577%0.77SS**  cis-147.5142.5-19.2-38.9171.8000105.9
696D38.4Very low38.1Very low160 Ų160153.4 Ų153.486%0.85680%0.796SS**  169.1155.7125.4-84.7-9000111.9
697E32Very low37.4Very low175 Ų175151.2 Ų151.282%0.81880%0.798SS**  trans-129.7132.6-156.9177.1172.8-154.100109.4
698M39.5Very low37.1Very low193 Ų193154.3 Ų154.395%0.95180%0.803SS**  trans-152.1126168.1-135.6176.3-173.400111.2
699D34.9Very low36.4Very low141 Ų141151.5 Ų151.575%0.75480%0.801SS**  trans-72.1152.5-168.5-69.9-74.6000115.3
700L42Very low35.9Very low169 Ų169149.7 Ų149.789%0.88581%0.809SS**  trans-128.9126.2152.8-84.8170.7000109.9
701P39.4Very low36Very low113 Ų113143.3 Ų143.373%0.73481%0.811SS**PPolyproline II helixtrans-82.7163.6-164.932.6-37.4000114.6
702P34.1Very low36.2Very low123 Ų123143.6 Ų143.680%0.79982%0.819SS**PPolyproline II helixtrans-75.5160.9-176.931.4-36.9000114.3
703A32.3Very low36.2Very low103 Ų103143.2 Ų143.285%0.85182%0.819SS**PPolyproline II helixtrans-61.5149.8-174.200000115
704K38.3Very low36.2Very low200 Ų200143.7 Ų143.787%0.8782%0.817SS**  trans-127141.9160.6-77.6-176.7176.1176.40110.1
705L29.9Very low36.5Very low160 Ų160147.3 Ų147.384%0.83883%0.826SS**  trans-67.5150.5166.2-68.870.6000109.3
706Y35.5Very low36.4Very low241 Ų241147.2 Ų147.295%0.94583%0.826SS**  trans-140.9156.6134.9-110.8-79.2000110.1
707D33.7Very low36.4Very low138 Ų138145.6 Ų145.674%0.73882%0.821SS**  trans-115.3172.2-166.9174.841.1000111.2
708R37.4Very low36.7Very low216 Ų216148.2 Ų148.282%0.81582%0.824SS**  trans85.8142.7174.4-59.2-178.4172.1-169.2-4.2116.7
709S33.6Very low36.4Very low99 Ų99150.1 Ų150.169%0.69282%0.82SS**  cis-170.5165.1-13.847.90000113
710S37.7Very low36.6Very low128 Ų128149.3 Ų149.390%0.89583%0.826SS**  trans79.9148.9163.180.70000118.3
711G35.9Very low36.3Very low83 Ų83146.7 Ų146.786%0.85682%0.817SS**  trans132.951.917900000116.1
712A38.2Very low36.1Very low97 Ų97150.8 Ų150.880%0.80282%0.824SS**  trans-70.6149.9-168.900000116.5
713S39.6Very low36.1Very low119 Ų119150.6 Ų150.683%0.83282%0.82SS**  178.7147.1113.240.10000114.7
714D38Very low36.3Very low137 Ų137150.4 Ų150.473%0.73382%0.818SS**  trans-66.4156.6-163.1-54.7-68.9000118.8
715T40.2Very low36.1Very low144 Ų144147.1 Ų147.188%0.88382%0.816SS**  -169.5146.8100.920.50000113.3
716L34.7Very low36.5Very low153 Ų153149.2 Ų149.280%0.80182%0.818SS**  trans-90.5165.7-176.6-65.785.6000112.9
717V38.2Very low36.3Very low125 Ų125145.6 Ų145.676%0.75882%0.815SS**  -177.7132.3110.3146.50000114.6
718R37.6Very low36.4Very low230 Ų230150.4 Ų150.487%0.86882%0.823SS**  trans57.596.7157.6-75172178.7154.50.1122.4
719R34.2Very low36.2Very low234 Ų234149.1 Ų149.188%0.88382%0.823SS**  9.1137.3117.5-78.7179.1167.2168.8-4.4118.7
720S37.3Very low36.3Very low123 Ų123154.8 Ų154.886%0.8683%0.829SS**  -147.1157.2109.9-165.50000110.6
721T36.3Very low36.1Very low114 Ų114155.3 Ų155.370%0.69982%0.821SS**  trans-147.4142.3-171.150.40000111.6
722F35.7Very low36.2Very low200 Ų200159.8 Ų159.888%0.87783%0.825SS**  trans-143.8144.6150.2-153-98.7000111.9
723T34.5Very low35.8Very low118 Ų118162 Ų16272%0.72482%0.823SS**  trans-125.1143.9-175.348.20000110.2
724A36.8Very low35.7Very low99 Ų99163 Ų16382%0.81882%0.824SS**  trans-149.9136.8161.300000109.4
725T33.8Very low35.4Very low132 Ų132161.6 Ų161.681%0.8183%0.825SS**  trans-123.2159-176.854.40000110.5
726K37.8Very low35Very low204 Ų204159 Ų15989%0.88781%0.812SS**  trans-172.5100145.7-108.5164.2-175.2178.90112.1
727D31.3Very low35.1Very low164 Ų164160.1 Ų160.188%0.87781%0.813SS**  trans-80154.2153.1-80.4-52.7000110
728W35Very low34.9Very low239 Ų239164.5 Ų164.591%0.90582%0.816SS**  trans-127.7120.216261.9-76.9000110.1
729K34.2Very low34.9Very low189 Ų189159.2 Ų159.282%0.82281%0.811SS**  trans-84.8148.4178.1-61.3175.3178.6178.30110.1
730R35Very low34.8Very low218 Ų218155.2 Ų155.282%0.82380%0.803SS**  171.7118.1112.6-90.8178.7-177.2-132.50.5110.1
731L33.5Very low34.7Very low140 Ų140157.7 Ų157.773%0.73381%0.805SS**  71.9114.597.8-67.8178.7000115.3
732L37.6Very low34.6Very low177 Ų177161.4 Ų161.493%0.92781%0.812SS**  -150.6151.8115.7-104.4169.6000108.7
733N30.2Very low34.8Very low144 Ų144157.7 Ų157.777%0.7781%0.808SS**  trans-153.8107.4-161.5175.560.8000112.6
734V37.3Very low34.8Very low139 Ų139156.6 Ų156.684%0.84281%0.805SS**  trans-158.8142.3174.7-177.10000106.8
735S33.2Very low34.8Very low107 Ų107160 Ų16075%0.74881%0.808SS**  cis-157.6170.1-31.4-171.60000107.3
736S31.5Very low34.8Very low90 Ų90159.7 Ų159.763%0.62981%0.805SS**  trans-72154.9178.259.50000113.1
737H36.3Very low34.6Very low177 Ų177159 Ų15982%0.81981%0.805SS**  -175.7141118.5-96.542.6000111
738R34.8Very low34.7Very low217 Ų217155.4 Ų155.482%0.81980%0.798SS**  trans-99.8155.7154.4-85.3-169.9175.3-163.40.9107.2
739P37.5Very low34.6Very low118 Ų118149.1 Ų149.177%0.76679%0.791SS**  -142.3-179.8103.232.8-15000115.3
740H32.2Very low34.7Very low151 Ų151147.5 Ų147.570%0.69979%0.791SS**  trans-75.5154.1-174-40.2-103.7000113.1
741L33.8Very low34.4Very low175 Ų175146.5 Ų146.592%0.91679%0.787SS**  170.1148.7116.8-92.7150.8000112.6
742F34.8Very low34.5Very low192 Ų192145.9 Ų145.984%0.84279%0.792SS**  trans-85.3164.8163.9-85.2-90.3000109.9
743P39.4Very low34.2Very low121 Ų121145.3 Ų145.379%0.78679%0.789SS**  -133.7164.798.837.7-29.1000114.1
744S34.8Very low34.3Very low96 Ų96145.2 Ų145.267%0.67179%0.788SS**  trans-80.9153.5166.21790000110.5
745I37.3Very low33.9Very low171 Ų171142.5 Ų142.588%0.87778%0.775SS**  trans-130143.2152.5-114.1173.1000108.7
746V33.5Very low33.7Very low124 Ų124148.2 Ų148.275%0.75278%0.782SS**  trans-122.4125.7-1771730000107.5
747E33.9Very low33.7Very low190 Ų190147.1 Ų147.189%0.88879%0.785SS**  trans-178.3146.9156.2-104.9174.4167.700108
748A33.4Very low33.7Very low88 Ų88147.8 Ų147.873%0.72779%0.789SS**  cis-143.4156.8-13.500000109.3
749S31.5Very low33.7Very low107 Ų107144.4 Ų144.475%0.74878%0.782SS**  trans-73.7145.9165.855.60000110.9
750D36.2Very low33.7Very low155 Ų155144.6 Ų144.683%0.82978%0.783SS**  trans-145.6166.1144.2-131.5-32000113.9
751R30.6Very low33.6Very low198 Ų198141.5 Ų141.575%0.74778%0.779SS**  trans-102.9157.5-145.2-63.5172.9175.7-168.9-0.8115.6
752P34.1Very low33.7Very low127 Ų127140.2 Ų140.283%0.82578%0.778SS**  trans-70.8139.5154.432.7-33000110
753L32.2Very low33.4Very low164 Ų164135.5 Ų135.586%0.85977%0.769SS**  trans-143.2163.6174.1-109166.2000111.4
754N31.6Very low33.1Very low143 Ų143136 Ų13677%0.76577%0.77SS**  trans-136.5157-159.6-170.724.8000110.6
755S29.7Very low33.2Very low81 Ų81136.4 Ų136.457%0.56677%0.773SS**  trans60148.9-175.161.30000115.3
756Y29.6Very low33.3Very low227 Ų227134 Ų13489%0.8977%0.768SS**  cis-129.4-178.99.8-62.9-97000109.5
757G31.3Very low33.5Very low68 Ų68135.1 Ų135.170%0.70177%0.769SS**  cis174.6-167.31.300000112.5
758E34.8Very low33.5Very low190 Ų190132.4 Ų132.489%0.88876%0.761SS**  trans41.998.9157.3-57.6-172.8159.300120.9
759E34.8Very low33.6Very low147 Ų147135.6 Ų135.669%0.68776%0.76SS**  24.5144.5109.9-76.4-64.1118.300119.1S761E759-S761 WeakPolarHBondContact OE2-CB 3.48Å; E759-S761 PolarHBondContact OE2-N 3.28Å; E759-S761 PolarHBondContact OE2-OG 2.9Å
760P39.2Very low33.7Very low121 Ų121135.6 Ų135.679%0.78676%0.756SS**  cis-134.8143.449.538.7-22.6000118.4
761S28.3Very low33.6Very low87 Ų87136.5 Ų136.561%0.60875%0.753SS**  trans-60147.5154.347.10000113.2E759E759-S761 WeakPolarHBondContact OE2-CB 3.48Å; E759-S761 PolarHBondContact OE2-N 3.28Å; E759-S761 PolarHBondContact OE2-OG 2.9Å
762V37.7Very low33.9Very low148 Ų148131.4 Ų131.490%0.89774%0.741SS**  trans-126.9135.6155.4177.90000106.9
763S28.2Very low33.8Very low93 Ų93135.3 Ų135.365%0.6574%0.739SS**  trans-112.6-170.5-171.259.70000111.7
764T33.5Very low34.1Very low132 Ų132135.8 Ų135.881%0.8174%0.741SS**  trans69.1143.5178.179.20000115.8
765S36.5Very low34.1Very low104 Ų104132.1 Ų132.173%0.72774%0.737SS**  cis-152.7156.7-8.419.20000110.8
766P39.8Very low34.8Very low119 Ų119134.3 Ų134.377%0.77375%0.749SS**  trans-80.9172.5170.437.4-36.8000111.8
767L36.3Very low35.1Very low148 Ų148132.3 Ų132.378%0.77575%0.748SS**  trans173.7118.2150.5-90.8171.7000104.2
768D33.5Very low35.2Very low134 Ų134133.8 Ų133.872%0.71775%0.747SS**  75.9143.889.8-72.85.4000112.5
769E36.6Very low35.4Very low154 Ų154131.8 Ų131.872%0.7275%0.748SS**  cis-161.3151.35-131.7-169.8155.200111
770T33.8Very low35.1Very low108 Ų108133.5 Ų133.566%0.66376%0.758SS**  trans61.1169.5154.872.20000119.1
771F34.3Very low35Very low173 Ų173132.3 Ų132.376%0.75976%0.759SS**  cis-143.6150.7-14.6-142.1-133.4000112.8
772D36.9Very low35.2Very low92 Ų92137.7 Ų137.749%0.49277%0.771SS.*  trans31126.2155.9-92-20.7000125.3
773R31.9Very low34.9Very low209 Ų209135.2 Ų135.279%0.78976%0.761SS**  23.3132.9115.5-56.6177.3178.2128.6-15.4119.5
774I37.8Very low35.3Very low174 Ų174140.4 Ų140.489%0.89277%0.771SS**  -165.1163.3103.8-97.9158.7000109.9
775G32.5Very low35.1Very low66 Ų66137.9 Ų137.968%0.6877%0.772SS**  trans-95-156.4-16400000117.7
776P44.7Very low35Very low127 Ų127141.4 Ų141.483%0.82578%0.781SS**  trans-127.2154.7-145.241.2-28.4000116.8
777E35.9Very low34.6Very low185 Ų185141.6 Ų141.686%0.86479%0.785SS**  trans-145.7132.9154.9-92.5176.6179.200107.7
778S33.4Very low34.5Very low99 Ų99137.9 Ų137.969%0.69278%0.782SS**  73.9107.463.6165.40000114.1
779T37.4Very low34.5Very low148 Ų148142.5 Ų142.591%0.90879%0.79SS**  trans-171.9153.9136.415.10000111.8
780M30Very low34.5Very low183 Ų183141 Ų14190%0.90179%0.79SS**  trans-97.5149.7174.1-61.9159.155.600110.8
781A35.6Very low34.4Very low96 Ų96143 Ų14379%0.79380%0.797SS**  176.3133.3123.500000115.5
782K33.4Very low34.4Very low199 Ų199142.3 Ų142.387%0.86580%0.801SS**  trans4.6135.1133.8-80.5171.1176.3171.50116.3
783S32.1Very low34.4Very low97 Ų97144.6 Ų144.668%0.67881%0.812SS**  cis170.1166.931.446.70000113.1
784K35Very low34.4Very low201 Ų201143.5 Ų143.587%0.87482%0.816SS**  trans51.583.4147.8-70178.9178.9-1750119.4
785G30.1Very low34.1Very low80 Ų80140 Ų14083%0.82581%0.807SS**  63.8115.1106.600000120.4
786I35.3Very low34.3Very low177 Ų177148 Ų14891%0.90882%0.817SS**  trans-123.1146.4156.7-65.1179000107.7
787S31.3Very low33.8Very low123 Ų123145.8 Ų145.886%0.8682%0.817SS**  trans-114.7153.1-174.7-175.20000112.3
788G33.6Very low33.8Very low70 Ų70141.5 Ų141.572%0.72281%0.807SS**  trans90.1143.3-175.800000112.3
789R34.2Very low34Very low232 Ų232144.6 Ų144.688%0.87582%0.816SS**  cis-160.116033.9-173.1-174.6171.6146.3-1.9112
790V36.2Very low34.2Very low121 Ų121142.2 Ų142.273%0.73380%0.802SS**  trans59108.9167-810000119.6
791D31.1Very low34.6Very low150 Ų150139.5 Ų139.580%0.80279%0.792SS**  trans-61.8151.6147.8-33.9-103.7000111.7
792L34.6Very low34.7Very low159 Ų159142.8 Ų142.883%0.83280%0.795SS**  trans-165.4152.9136.8-133.672.8000113
793L36.2Very low35.3Very low140 Ų140140.8 Ų140.873%0.73379%0.793SS**  trans68.666.2161.3-62.9170.3000118.4
794E31.6Very low36Very low186 Ų186143 Ų14387%0.86980%0.797SS**  trans-56.7163.1136-172.4175.6-143.400111.4
795S31.9Very low36.3Very low101 Ų101140.4 Ų140.471%0.70679%0.792SS**  trans69.8104.9172.2-1690000118.5
796R37.8Very low36.5Very low233 Ų233143.1 Ų143.188%0.87979%0.788SS**  trans-137.372.1143.1-84.5-157.6159.398.5-1.8111.4
797G33.4Very low36.8Very low81 Ų81141.3 Ų141.384%0.83578%0.78SS**  trans-98.938.3173.900000114
798S35.8Very low37.1Very low95 Ų95140.1 Ų140.166%0.66477%0.771SS**SBendtrans-152.1147.9-176.355.90000110.8
799L36.8Very low37.7Very low165 Ų165142.5 Ų142.586%0.86477%0.774SS**PPolyproline II helixtrans-62.4142.1173.9-81.275.7000110.5
800P42.2Very low38.2Very low97 Ų97139.2 Ų139.263%0.6377%0.773SS**PPolyproline II helixtrans-69.4160.7163.132.4-34.4000110.7
801D39.2Very low38.7Very low127 Ų127141.4 Ų141.468%0.67978%0.78SS**PPolyproline II helixtrans-76.7156.3-179.4-147.9-21000111.9L803D801-L803 PolarHBondContact O-N 3.48Å
802L36.6Very low40.3Very low165 Ų165137.9 Ų137.986%0.86476%0.761SS**THydrogen-bonded Turntrans-83.126.9-158.9-152.5110.2000114.9
803L46.9Very low42.1Very low157 Ų157133.9 Ų133.982%0.82274%0.743SS**THydrogen-bonded Turntrans-130.2-13.3-173.3-71169.4000114.9D801D801-L803 PolarHBondContact O-N 3.48Å
804D45.7Very low43.5Very low142 Ų142138.2 Ų138.276%0.75975%0.75SS**SBendtrans-99.522.9-175.5-67.5-30.5000113.9
805L41.2Very low45.1Very low147 Ų147135 Ų13577%0.7774%0.735SS**  trans-126.149.6-174.7-80.3172000113.5
806D35.3Very low46.9Very low137 Ų137133.9 Ų133.973%0.73372%0.718SS**  trans-104.2144.5161.9-148.3-9.9000109.8
807N40.2Very low48.6Very low140 Ų140127.3 Ų127.375%0.74970%0.7SS**SBendtrans66.962.3179.8-48.3-78.8000117.7
808S39.4Very low50.5Low97 Ų97126 Ų12668%0.67868%0.68SS**  trans-153.8104.1158.4-80.90000112.8L810S808-L810 PolarHBondContact O-N 2.73Å; S808-L810 VanDerWaalsContact O-N 3.09Å
809P44.6Very low52.5Low121 Ų121128.9 Ų128.979%0.78668%0.677SS**  trans-75.898.4176.230.3-32.9000110.7L811P809-L811 PolarHBondContact O-N 2.75Å
810L46.4Very low54.5Low163 Ų163125.6 Ų125.685%0.85366%0.659SS**  trans-67.892.1176.1-69.9175000111.2S808 L812S808-L810 PolarHBondContact O-N 2.73Å; S808-L810 VanDerWaalsContact O-N 3.09Å; L810-L812 PolarHBondContact O-N 3.38Å
811L45.9Very low56Low166 Ų166123 Ų12387%0.86964%0.643SS**  trans-69.973.8171.1-74.7173.8000111.2P809 T813P809-L811 PolarHBondContact O-N 2.75Å; L811-T813 PolarHBondContact O-N 2.8Å
812L63.8Low58Low77 Ų77119.4 Ų119.440%0.40363%0.628SS.*  trans-62.2129.2173.2-167.170.6000110L810 E816 I817 L820L810-L812 PolarHBondContact O-N 3.38Å; L812-E816 HydrophobicContact CD1-CB 3.58Å; L812-E816 HydrophobicContact CD1-CG 4.25Å; L812-E816 HydrophobicContact CD2-CB 4.23Å; L812-E816 HydrophobicContact CG-CB 3.64Å; L812-I817 HydrophobicContact CB-CG1 4.24Å; L812-I817 HydrophobicContact CD2-CG1 3.79Å; L812-I817 HydrophobicContact CG-CG1 4.08Å; L812-I817 WeakPolarHBondContact O-CD1 3.36Å; L812-L820 HydrophobicContact CD2-CD1 3.72Å
813T74.2Confident60.2Low74 Ų74116.7 Ų116.745%0.45461%0.611SS.*  trans-67.7157.1-173.6650000112.3L811 E815 E816 I817L811-T813 PolarHBondContact O-N 2.8Å; T813-E815 PolarHBondContact O-N 3.28Å; T813-E815 VanDerWaalsContact O-N 3.15Å; T813-E816 VanDerWaalsContact CB-OE2 3.29Å; T813-E816 WeakPolarHBondContact CB-OE2 3.46Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.41Å; T813-E816 PolarHBondContact N-OE2 3.09Å; T813-E816 PolarHBondContact O-N 3.35Å; T813-E816 VanDerWaalsContact OG1-CD 3.28Å; T813-E816 VanDerWaalsContact OG1-CG 3.29Å; T813-E816 WeakPolarHBondContact OG1-CG 3.31Å; T813-E816 PolarHBondContact OG1-N 3.09Å; T813-E816 PolarHBondContact OG1-OE2 3.09Å; T813-I817 WeakPolarHBondContact O-CG1 3.28Å; T813-I817 PolarHBondContact O-N 2.96Å
814R64Low61.9Low232 Ų232116 Ų11688%0.87560%0.598SS**Hα-helixtrans-56-32.4176.6-170.7178-179.5-173.50.8112.5A818R814-A818 WeakPolarHBondContact O-CB 3.49Å; R814-A818 PolarHBondContact O-N 2.88Å; R814-A818 VanDerWaalsContact O-N 3.1Å
815E66Low63.7Low119 Ų119117.2 Ų117.256%0.55659%0.592SS**Hα-helixtrans-71.1-42.1173.2-76.7-153.3-160.100113.1T813 A818 R819T813-E815 PolarHBondContact O-N 3.28Å; T813-E815 VanDerWaalsContact O-N 3.15Å; E815-A818 CarbonylContact O-C 3.53Å; E815-A818 WeakPolarHBondContact O-CB 3.24Å; E815-A818 PolarHBondContact O-N 2.9Å; E815-R819 WeakPolarHBondContact O-CB 3.49Å; E815-R819 VanDerWaalsContact O-CG 3.24Å; E815-R819 WeakPolarHBondContact O-CG 3.39Å; E815-R819 PolarHBondContact O-N 3.13Å; E815-R819 IonicContact OE2-CZ 3.43Å; E815-R819 IonicContact OE2-NE 3.71Å; E815-R819 IonicContact OE2-NH2 2.56Å; E815-R819 PolarHBondContact OE2-NH2 2.88Å
816E70.4Confident65.5Low77 Ų77115.1 Ų115.136%0.3658%0.578SS.*Hα-helixtrans-68.3-38.9178-71.4163.2130.200111.8L812 T813 A818 R819 L820L812-E816 HydrophobicContact CD1-CB 3.58Å; L812-E816 HydrophobicContact CD1-CG 4.25Å; L812-E816 HydrophobicContact CD2-CB 4.23Å; L812-E816 HydrophobicContact CG-CB 3.64Å; T813-E816 VanDerWaalsContact CB-OE2 3.29Å; T813-E816 WeakPolarHBondContact CB-OE2 3.46Å; T813-E816 WeakPolarHBondContact CG2-OE2 3.41Å; T813-E816 PolarHBondContact N-OE2 3.09Å; T813-E816 PolarHBondContact O-N 3.35Å; T813-E816 VanDerWaalsContact OG1-CD 3.28Å; T813-E816 VanDerWaalsContact OG1-CG 3.29Å; T813-E816 WeakPolarHBondContact OG1-CG 3.31Å; T813-E816 PolarHBondContact OG1-N 3.09Å; T813-E816 PolarHBondContact OG1-OE2 3.09Å; E816-A818 VanDerWaalsContact C-N 3.29Å; E816-A818 PolarHBondContact O-N 3.21Å; E816-R819 PolarHBondContact O-N 2.92Å; E816-L820 WeakPolarHBondContact O-CB 3.32Å; E816-L820 WeakPolarHBondContact O-CG 3.45Å; E816-L820 PolarHBondContact O-N 3.29Å
817I72.7Confident67.5Low95 Ų95111.5 Ų111.549%0.48756%0.557SS.*Hα-helixtrans-58.6-42.1169.6-64.1165.9000110.3L812 T813 S821L812-I817 HydrophobicContact CB-CG1 4.24Å; L812-I817 HydrophobicContact CD2-CG1 3.79Å; L812-I817 HydrophobicContact CG-CG1 4.08Å; L812-I817 WeakPolarHBondContact O-CD1 3.36Å; T813-I817 WeakPolarHBondContact O-CG1 3.28Å; T813-I817 PolarHBondContact O-N 2.96Å; I817-S821 WeakPolarHBondContact O-CB 3.41Å; I817-S821 PolarHBondContact O-N 2.84Å; I817-S821 PolarHBondContact O-OG 2.85Å
818A74.2Confident69.4Low52 Ų52108.8 Ų108.843%0.4354%0.542SS..Hα-helixtrans-67-39.8175.700000112.7R814 E815 E816 S821 S822R814-A818 WeakPolarHBondContact O-CB 3.49Å; R814-A818 PolarHBondContact O-N 2.88Å; R814-A818 VanDerWaalsContact O-N 3.1Å; E815-A818 CarbonylContact O-C 3.53Å; E815-A818 WeakPolarHBondContact O-CB 3.24Å; E815-A818 PolarHBondContact O-N 2.9Å; E816-A818 VanDerWaalsContact C-N 3.29Å; E816-A818 PolarHBondContact O-N 3.21Å; A818-S821 PolarHBondContact O-OG 3.01Å; A818-S822 WeakPolarHBondContact O-CB 3.44Å; A818-S822 PolarHBondContact O-N 2.87Å
819R76.4Confident71.4Confident156 Ų156109 Ų10959%0.58954%0.535SS*.Hα-helixtrans-67-50.8177.2-71167.5-168.5-178.83.1111.3E815 E816 S822 Q823E815-R819 WeakPolarHBondContact O-CB 3.49Å; E815-R819 VanDerWaalsContact O-CG 3.24Å; E815-R819 WeakPolarHBondContact O-CG 3.39Å; E815-R819 PolarHBondContact O-N 3.13Å; E815-R819 IonicContact OE2-CZ 3.43Å; E815-R819 IonicContact OE2-NE 3.71Å; E815-R819 IonicContact OE2-NH2 2.56Å; E815-R819 PolarHBondContact OE2-NH2 2.88Å; E816-R819 PolarHBondContact O-N 2.92Å; R819-S822 PolarHBondContact O-N 3.17Å; R819-Q823 WeakPolarHBondContact O-CB 3.48Å; R819-Q823 PolarHBondContact O-N 2.88Å
820L78.4Confident73.2Confident96 Ų96110 Ų11050%0.50352%0.523SS..Hα-helixtrans-63.4-43.1177.7-68.8-174.6000112.1L812 E816 S822 Q823 R824L812-L820 HydrophobicContact CD2-CD1 3.72Å; E816-L820 WeakPolarHBondContact O-CB 3.32Å; E816-L820 WeakPolarHBondContact O-CG 3.45Å; E816-L820 PolarHBondContact O-N 3.29Å; L820-S822 PolarHBondContact O-N 3.36Å; L820-Q823 PolarHBondContact O-N 2.96Å; L820-R824 VanDerWaalsContact O-CB 3.32Å; L820-R824 WeakPolarHBondContact O-CB 3.42Å; L820-R824 PolarHBondContact O-N 3.4Å
821S74.2Confident74.7Confident42 Ų42106.4 Ų106.429%0.29451%0.505SS..Hα-helixtrans-69.1-32.3177.164.40000112.8I817 A818 R825I817-S821 WeakPolarHBondContact O-CB 3.41Å; I817-S821 PolarHBondContact O-N 2.84Å; I817-S821 PolarHBondContact O-OG 2.85Å; A818-S821 PolarHBondContact O-OG 3.01Å; S821-R825 VanDerWaalsContact O-CG 3.22Å; S821-R825 WeakPolarHBondContact O-CG 3.35Å; S821-R825 PolarHBondContact O-N 3.32Å
822S81.4Confident76.4Confident52 Ų52106.9 Ų106.936%0.36450%0.495SS..Hα-helixtrans-65.6-47.2170.2-177.70000111.7A818 R819 L820 R824 R825 Q826A818-S822 WeakPolarHBondContact O-CB 3.44Å; A818-S822 PolarHBondContact O-N 2.87Å; R819-S822 PolarHBondContact O-N 3.17Å; L820-S822 PolarHBondContact O-N 3.36Å; S822-R824 PolarHBondContact O-N 2.93Å; S822-R825 WeakPolarHBondContact O-CB 3.34Å; S822-R825 PolarHBondContact O-N 2.86Å; S822-Q826 WeakPolarHBondContact O-CG 3.27Å; S822-Q826 PolarHBondContact O-N 3.32Å
823Q82Confident77.1Confident108 Ų108109.5 Ų109.551%0.50550%0.503SS..Hα-helixtrans-59.5-45.3176.3-176.2170.7-22.800111.3R819 L820 R825 Q826 E827R819-Q823 WeakPolarHBondContact O-CB 3.48Å; R819-Q823 PolarHBondContact O-N 2.88Å; L820-Q823 PolarHBondContact O-N 2.96Å; Q823-R825 PolarHBondContact O-N 2.75Å; Q823-Q826 CarbonylContact O-C 3.58Å; Q823-Q826 WeakPolarHBondContact O-CA 3.32Å; Q823-Q826 WeakPolarHBondContact O-CB 3.43Å; Q823-Q826 PolarHBondContact O-N 3.48Å; Q823-E827 PolarHBondContact O-N 3.08Å
824R82.7Confident77Confident143 Ų143110.9 Ų110.954%0.5450%0.504SS..Hα-helixtrans-64.2-34.9176.9-168.455.3170.5172.70.9113.4L820 S822 E827 L828L820-R824 VanDerWaalsContact O-CB 3.32Å; L820-R824 WeakPolarHBondContact O-CB 3.42Å; L820-R824 PolarHBondContact O-N 3.4Å; S822-R824 PolarHBondContact O-N 2.93Å; R824-E827 WeakPolarHBondContact CD-OE2 3.46Å; R824-E827 IonicContact CZ-OE2 2.99Å; R824-E827 IonicContact NE-OE2 3.6Å; R824-E827 IonicContact NH1-OE2 2.68Å; R824-E827 PolarHBondContact NH1-OE2 2.81Å; R824-E827 PolarHBondContact O-N 3.02Å; R824-L828 HydrophobicContact CG-CD1 4.5Å; R824-L828 WeakPolarHBondContact O-CG 3.21Å; R824-L828 PolarHBondContact O-N 3.39Å; R824-L828 VanDerWaalsContact O-N 3.08Å
825R83.4Confident77.6Confident168 Ų168102.4 Ų102.463%0.63448%0.484SS*.Hα-helixtrans-65.1-38.7169.9-70.8169.5-153.1-179.37.6111.6S821 S822 Q823 L829S821-R825 VanDerWaalsContact O-CG 3.22Å; S821-R825 WeakPolarHBondContact O-CG 3.35Å; S821-R825 PolarHBondContact O-N 3.32Å; S822-R825 WeakPolarHBondContact O-CB 3.34Å; S822-R825 PolarHBondContact O-N 2.86Å; Q823-R825 PolarHBondContact O-N 2.75Å; R825-L829 WeakPolarHBondContact O-CB 3.15Å; R825-L829 WeakPolarHBondContact O-CG 3.38Å; R825-L829 PolarHBondContact O-N 2.79Å
826Q80.4Confident78.2Confident102 Ų102101.6 Ų101.648%0.47748%0.48SS..Hα-helixtrans-70.5-30.5177.2-68.1-177.336.200113.4S822 Q823 R830S822-Q826 WeakPolarHBondContact O-CG 3.27Å; S822-Q826 PolarHBondContact O-N 3.32Å; Q823-Q826 CarbonylContact O-C 3.58Å; Q823-Q826 WeakPolarHBondContact O-CA 3.32Å; Q823-Q826 WeakPolarHBondContact O-CB 3.43Å; Q823-Q826 PolarHBondContact O-N 3.48Å; Q826-R830 WeakPolarHBondContact O-CG 3.46Å; Q826-R830 PolarHBondContact O-N 2.85Å; Q826-R830 PolarHBondContact O-NH1 3Å
827E76.2Confident78.2Confident61 Ų61101.1 Ų101.129%0.28548%0.479SS..Hα-helixtrans-64.3-58.4169.1-71.2163.5-167.100110.2Q823 R824 L829 R830 D831Q823-E827 PolarHBondContact O-N 3.08Å; R824-E827 WeakPolarHBondContact CD-OE2 3.46Å; R824-E827 IonicContact CZ-OE2 2.99Å; R824-E827 IonicContact NE-OE2 3.6Å; R824-E827 IonicContact NH1-OE2 2.68Å; R824-E827 PolarHBondContact NH1-OE2 2.81Å; R824-E827 PolarHBondContact O-N 3.02Å; E827-L829 PolarHBondContact O-N 3.4Å; E827-R830 WeakPolarHBondContact O-CA 3.17Å; E827-R830 WeakPolarHBondContact O-CB 3.35Å; E827-R830 PolarHBondContact O-N 3.36Å; E827-D831 VanDerWaalsContact O-CG 3.29Å; E827-D831 PolarHBondContact O-N 2.86Å
828L81.2Confident78Confident84 Ų8499.5 Ų99.544%0.4447%0.471SS..Hα-helixtrans-58-29180-69169.8000113.6R824 R832R824-L828 HydrophobicContact CG-CD1 4.5Å; R824-L828 WeakPolarHBondContact O-CG 3.21Å; R824-L828 PolarHBondContact O-N 3.39Å; R824-L828 VanDerWaalsContact O-N 3.08Å; L828-R832 WeakPolarHBondContact O-CB 3.32Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.46Å; L828-R832 PolarHBondContact O-N 3.08Å; L828-R832 VanDerWaalsContact O-N 3.08Å
829L80.2Confident78.1Confident100 Ų100108 Ų10852%0.52449%0.492SS..Hα-helixtrans-78.8-23.2173.5-74.1171.1000114.2R825 E827 K833R825-L829 WeakPolarHBondContact O-CB 3.15Å; R825-L829 WeakPolarHBondContact O-CG 3.38Å; R825-L829 PolarHBondContact O-N 2.79Å; E827-L829 PolarHBondContact O-N 3.4Å; L829-K833 WeakPolarHBondContact O-CD 3.34Å; L829-K833 VanDerWaalsContact O-CG 3.32Å; L829-K833 WeakPolarHBondContact O-CG 3.4Å
830R82.3Confident78.1Confident144 Ų144109.6 Ų109.654%0.54350%0.498SS..Hα-helixtrans-72.8-52165-75.3-179.3179.688.4-8.3109.5Q826 E827 R832 K833 E834Q826-R830 WeakPolarHBondContact O-CG 3.46Å; Q826-R830 PolarHBondContact O-N 2.85Å; Q826-R830 PolarHBondContact O-NH1 3Å; E827-R830 WeakPolarHBondContact O-CA 3.17Å; E827-R830 WeakPolarHBondContact O-CB 3.35Å; E827-R830 PolarHBondContact O-N 3.36Å; R830-R832 VanDerWaalsContact C-N 3.33Å; R830-R832 PolarHBondContact O-N 2.88Å; R830-K833 CarbonylContact O-C 3.55Å; R830-K833 WeakPolarHBondContact O-CA 3.1Å; R830-K833 WeakPolarHBondContact O-CB 3.38Å; R830-K833 PolarHBondContact O-N 3.2Å; R830-E834 PolarHBondContact O-N 2.83Å
831D79.5Confident77.6Confident87 Ų87108.8 Ų108.847%0.46549%0.494SS..Hα-helixtrans-55.5-46-176.3-57.3-16.9000111.9E827 E834 A835E827-D831 VanDerWaalsContact O-CG 3.29Å; E827-D831 PolarHBondContact O-N 2.86Å; D831-E834 PolarHBondContact O-N 3.01Å; D831-A835 WeakPolarHBondContact O-CB 3.42Å; D831-A835 PolarHBondContact O-N 3.09Å
832R81.2Confident77.5Confident175 Ų175111.5 Ų111.566%0.6651%0.511SS*.Hα-helixtrans-60.8-44.7174.6-76.7179.2178.1-168.8-0.2112.6L828 R830 A835 E836L828-R832 WeakPolarHBondContact O-CB 3.32Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.46Å; L828-R832 PolarHBondContact O-N 3.08Å; L828-R832 VanDerWaalsContact O-N 3.08Å; R830-R832 VanDerWaalsContact C-N 3.33Å; R830-R832 PolarHBondContact O-N 2.88Å; R832-A835 PolarHBondContact O-N 3.47Å; R832-E836 WeakPolarHBondContact O-CG 3.47Å; R832-E836 PolarHBondContact O-N 2.94Å
833K79Confident76.9Confident133 Ų133115.4 Ų115.458%0.57853%0.527SS*.Hα-helixtrans-65.6-38.2177.8-76.4178.8179-179.10111.9L829 R830 E836 L837L829-K833 WeakPolarHBondContact O-CD 3.34Å; L829-K833 VanDerWaalsContact O-CG 3.32Å; L829-K833 WeakPolarHBondContact O-CG 3.4Å; R830-K833 CarbonylContact O-C 3.55Å; R830-K833 WeakPolarHBondContact O-CA 3.1Å; R830-K833 WeakPolarHBondContact O-CB 3.38Å; R830-K833 PolarHBondContact O-N 3.2Å; K833-E836 PolarHBondContact O-N 2.99Å; K833-L837 VanDerWaalsContact O-CB 3.29Å; K833-L837 WeakPolarHBondContact O-CB 3.26Å; K833-L837 VanDerWaalsContact O-CD1 3.29Å; K833-L837 WeakPolarHBondContact O-CD1 3.41Å; K833-L837 WeakPolarHBondContact O-CG 3.32Å; K833-L837 PolarHBondContact O-N 2.87Å
834E71.6Confident76.1Confident103 Ų103114.9 Ų114.948%0.48152%0.52SS..Hα-helixtrans-69-40.9176.8-69-170.5-167.700111.5R830 D831 L837 I838R830-E834 PolarHBondContact O-N 2.83Å; D831-E834 PolarHBondContact O-N 3.01Å; E834-L837 PolarHBondContact O-N 2.97Å; E834-I838 WeakPolarHBondContact O-CB 3.25Å; E834-I838 WeakPolarHBondContact O-CD1 3.37Å; E834-I838 VanDerWaalsContact O-CG1 3.24Å; E834-I838 WeakPolarHBondContact O-CG1 3.3Å; E834-I838 PolarHBondContact O-N 3.04Å
835A76.7Confident75.2Confident54 Ų54111.8 Ų111.845%0.44652%0.517SS..Hα-helixtrans-61.5-42.8172.400000113D831 R832 I838 R839D831-A835 WeakPolarHBondContact O-CB 3.42Å; D831-A835 PolarHBondContact O-N 3.09Å; R832-A835 PolarHBondContact O-N 3.47Å; A835-I838 PolarHBondContact O-N 2.88Å; A835-R839 PolarHBondContact O-N 2.89Å
836E78.3Confident74.4Confident101 Ų101110.3 Ų110.347%0.47252%0.515SS..Hα-helixtrans-62.4-42.3173-78177.6-152.500112.4R832 K833 I838 R839 R840R832-E836 WeakPolarHBondContact O-CG 3.47Å; R832-E836 PolarHBondContact O-N 2.94Å; K833-E836 PolarHBondContact O-N 2.99Å; E836-I838 VanDerWaalsContact C-N 3.32Å; E836-R839 PolarHBondContact O-N 2.81Å; E836-R840 WeakPolarHBondContact O-CB 3.45Å; E836-R840 WeakPolarHBondContact O-CG 3.22Å; E836-R840 PolarHBondContact O-N 3.11Å; E836-R840 IonicContact OE2-NH1 3.38Å
837L70.2Confident73.7Confident67 Ų67110.8 Ų110.835%0.35152%0.521SS..Hα-helixtrans-71.2-27.2179.4-72.2164.3000112.6K833 E834 N841 R844K833-L837 VanDerWaalsContact O-CB 3.29Å; K833-L837 WeakPolarHBondContact O-CB 3.26Å; K833-L837 VanDerWaalsContact O-CD1 3.29Å; K833-L837 WeakPolarHBondContact O-CD1 3.41Å; K833-L837 WeakPolarHBondContact O-CG 3.32Å; K833-L837 PolarHBondContact O-N 2.87Å; E834-L837 PolarHBondContact O-N 2.97Å; L837-N841 PolarHBondContact O-N 2.83Å; L837-R844 VanDerWaalsContact O-CD 3.24Å; L837-R844 WeakPolarHBondContact O-CD 3.42Å
838I69.5Low73Confident61 Ų61111.3 Ų111.331%0.31353%0.525SS..Hα-helixtrans-73-45.7169.5-69.9163.4000110.2E834 A835 E836 R840 N841 V845 L848E834-I838 WeakPolarHBondContact O-CB 3.25Å; E834-I838 WeakPolarHBondContact O-CD1 3.37Å; E834-I838 VanDerWaalsContact O-CG1 3.24Å; E834-I838 WeakPolarHBondContact O-CG1 3.3Å; E834-I838 PolarHBondContact O-N 3.04Å; A835-I838 PolarHBondContact O-N 2.88Å; E836-I838 VanDerWaalsContact C-N 3.32Å; I838-R840 VanDerWaalsContact C-N 3.34Å; I838-R840 PolarHBondContact O-N 3.28Å; I838-N841 CarbonylContact O-C 3.53Å; I838-N841 PolarHBondContact O-N 2.76Å; I838-V845 HydrophobicContact CG2-CG2 4.2Å; I838-L848 HydrophobicContact CD1-CD1 4.4Å
839R75.6Confident72.2Confident230 Ų230111.2 Ų111.287%0.86853%0.525SS*.Hα-helixtrans-58.8-41.2175.2-85.7-174.4168.8-175.3-3.1113A835 E836 N841A835-R839 PolarHBondContact O-N 2.89Å; E836-R839 PolarHBondContact O-N 2.81Å; R839-N841 VanDerWaalsContact C-N 3.33Å; R839-N841 PolarHBondContact O-N 2.84Å
840R75.4Confident71.6Confident191 Ų191112.1 Ų112.172%0.72153%0.525SS*.THydrogen-bonded Turntrans-72.9-19-179.2-78.9-178.7172.2142.10.3114.3E836 I838E836-R840 WeakPolarHBondContact O-CB 3.45Å; E836-R840 WeakPolarHBondContact O-CG 3.22Å; E836-R840 PolarHBondContact O-N 3.11Å; E836-R840 IonicContact OE2-NH1 3.38Å; I838-R840 VanDerWaalsContact C-N 3.34Å; I838-R840 PolarHBondContact O-N 3.28Å
841N68.5Low71Confident78 Ų78110 Ų11042%0.41752%0.521SS..  trans-155102.6179.2-165.4-26.9000111.5L837 I838 R839 L843 R844L837-N841 PolarHBondContact O-N 2.83Å; I838-N841 CarbonylContact O-C 3.53Å; I838-N841 PolarHBondContact O-N 2.76Å; R839-N841 VanDerWaalsContact C-N 3.33Å; R839-N841 PolarHBondContact O-N 2.84Å; N841-L843 PolarHBondContact O-N 3.4Å; N841-L843 VanDerWaalsContact O-N 3.14Å; N841-L843 WeakPolarHBondContact OD1-CB 3.33Å; N841-L843 PolarHBondContact OD1-N 2.98Å; N841-L843 VanDerWaalsContact OD1-N 3.15Å; N841-R844 WeakPolarHBondContact O-CB 3.31Å; N841-R844 PolarHBondContact O-N 2.97Å
842P71.8Confident71Confident100 Ų100109.7 Ų109.765%0.64952%0.523SS*.G310 helixtrans-64-21.8-177.925.6-34.1000113.1R844 V845P842-R844 PolarHBondContact O-N 3.09Å; P842-R844 VanDerWaalsContact O-N 3.16Å; P842-V845 WeakPolarHBondContact O-CB 3.4Å; P842-V845 WeakPolarHBondContact O-CG2 3.49Å; P842-V845 PolarHBondContact O-N 2.81Å; P842-V845 VanDerWaalsContact O-N 3.11Å
843L68.9Low70.8Confident133 Ų133107.4 Ų107.470%0.69652%0.52SS*.G310 helixtrans-65-15.7173-57.8175.1000112.5N841 V845 F846N841-L843 PolarHBondContact O-N 3.4Å; N841-L843 VanDerWaalsContact O-N 3.14Å; N841-L843 WeakPolarHBondContact OD1-CB 3.33Å; N841-L843 PolarHBondContact OD1-N 2.98Å; N841-L843 VanDerWaalsContact OD1-N 3.15Å; L843-V845 PolarHBondContact O-N 3.2Å; L843-F846 WeakPolarHBondContact O-CB 3.09Å; L843-F846 PolarHBondContact O-N 3.01Å
844R65.4Low70.6Confident98 Ų98103.2 Ų103.237%0.3751%0.506SS..G310 helixtrans-67-21.9173.8-143.9172.8-162-104.21.8112.4L837 N841 P842 F846 L847L837-R844 VanDerWaalsContact O-CD 3.24Å; L837-R844 WeakPolarHBondContact O-CD 3.42Å; N841-R844 WeakPolarHBondContact O-CB 3.31Å; N841-R844 PolarHBondContact O-N 2.97Å; P842-R844 PolarHBondContact O-N 3.09Å; P842-R844 VanDerWaalsContact O-N 3.16Å; R844-F846 PolarHBondContact O-N 3.34Å; R844-L847 HydrophobicContact CG-CD1 4.19Å; R844-L847 WeakPolarHBondContact O-CB 3.5Å; R844-L847 PolarHBondContact O-N 3.47Å
845V63.6Low70.6Confident77 Ų77103.2 Ų103.247%0.46750%0.504SS..Hα-helixtrans-61.7-31.1168.7-179.30000111.2I838 P842 L843 L847 L848I838-V845 HydrophobicContact CG2-CG2 4.2Å; P842-V845 WeakPolarHBondContact O-CB 3.4Å; P842-V845 WeakPolarHBondContact O-CG2 3.49Å; P842-V845 PolarHBondContact O-N 2.81Å; P842-V845 VanDerWaalsContact O-N 3.11Å; L843-V845 PolarHBondContact O-N 3.2Å; V845-L847 PolarHBondContact O-N 2.83Å; V845-L848 WeakPolarHBondContact O-CB 3.27Å; V845-L848 PolarHBondContact O-N 2.95Å; V845-L848 VanDerWaalsContact O-N 3.1Å
846F67.7Low70.8Confident137 Ų137103.3 Ų103.360%0.60151%0.505SS*.Hα-helixtrans-67.2-22.1175.1-159.1-96.3000112.8L843 R844 L849 F850L843-F846 WeakPolarHBondContact O-CB 3.09Å; L843-F846 PolarHBondContact O-N 3.01Å; R844-F846 PolarHBondContact O-N 3.34Å; F846-L849 HydrophobicContact CD2-CD1 3.95Å; F846-L849 HydrophobicContact CE2-CD1 4.15Å; F846-L849 HydrophobicContact CG-CD1 4.44Å; F846-F850 HydrophobicContact CD1-CE2 4.18Å; F846-F850 HydrophobicContact CE1-CE2 4.12Å; F846-F850 WeakPolarHBondContact O-CD2 3.03Å; F846-F850 WeakPolarHBondContact O-CE2 3.22Å
847L64.3Low71Confident112 Ų112105.2 Ų105.259%0.58651%0.508SS*.Hα-helixtrans-78.3-26.5172.3-65.4175.1000112.5R844 V845 L849 F850R844-L847 HydrophobicContact CG-CD1 4.19Å; R844-L847 WeakPolarHBondContact O-CB 3.5Å; R844-L847 PolarHBondContact O-N 3.47Å; V845-L847 PolarHBondContact O-N 2.83Å; L847-L849 PolarHBondContact O-N 3.23Å; L847-F850 WeakPolarHBondContact O-CB 3.23Å; L847-F850 PolarHBondContact O-N 3.02Å
848L62.7Low71.4Confident73 Ų73105.1 Ų105.138%0.38251%0.507SS..Hα-helixtrans-63.3-29174.8-62.4174.8000111.8I838 V845 F850 H851 V854I838-L848 HydrophobicContact CD1-CD1 4.4Å; V845-L848 WeakPolarHBondContact O-CB 3.27Å; V845-L848 PolarHBondContact O-N 2.95Å; V845-L848 VanDerWaalsContact O-N 3.1Å; L848-F850 PolarHBondContact O-N 2.85Å; L848-F850 VanDerWaalsContact O-N 3.07Å; L848-H851 WeakPolarHBondContact O-CB 3.34Å; L848-H851 PolarHBondContact O-N 3.35Å; L848-V854 WeakPolarHBondContact O-CB 3.4Å; L848-V854 WeakPolarHBondContact O-CG2 3.37Å
849L64.5Low71.8Confident82 Ų82110.9 Ų110.943%0.42953%0.525SS..THydrogen-bonded Turntrans-60.6-15.1171.8-63.1174.3000113.9F846 L847 V854F846-L849 HydrophobicContact CD2-CD1 3.95Å; F846-L849 HydrophobicContact CE2-CD1 4.15Å; F846-L849 HydrophobicContact CG-CD1 4.44Å; L847-L849 PolarHBondContact O-N 3.23Å; L849-V854 HydrophobicContact CD2-CG1 4.25Å
850F66.2Low72.2Confident119 Ų119109.9 Ų109.952%0.52252%0.522SS..THydrogen-bonded Turntrans-98.1-7.7176.4-64.8-90.7000113.7F846 L847 L848 K855F846-F850 HydrophobicContact CD1-CE2 4.18Å; F846-F850 HydrophobicContact CE1-CE2 4.12Å; F846-F850 WeakPolarHBondContact O-CD2 3.03Å; F846-F850 WeakPolarHBondContact O-CE2 3.22Å; L847-F850 WeakPolarHBondContact O-CB 3.23Å; L847-F850 PolarHBondContact O-N 3.02Å; L848-F850 PolarHBondContact O-N 2.85Å; L848-F850 VanDerWaalsContact O-N 3.07Å; F850-K855 WeakPolarHBondContact O-CE 3.5Å; F850-K855 PolarHBondContact O-NZ 2.96Å
851H71.1Confident72.9Confident99 Ų99106.3 Ų106.346%0.45851%0.508SS..SBendtrans-61.8142.9177.2-153.1-103.6000111.1L848 E853 V854 K855L848-H851 WeakPolarHBondContact O-CB 3.34Å; L848-H851 PolarHBondContact O-N 3.35Å; H851-E853 VanDerWaalsContact C-N 3.34Å; H851-E853 PolarHBondContact O-N 3.49Å; H851-V854 HydrophobicContact CB-CB 4.48Å; H851-V854 HydrophobicContact CB-CG2 4.23Å; H851-V854 PolarHBondContact O-N 3.05Å; H851-K855 PolarHBondContact O-N 3.23Å; H851-K855 VanDerWaalsContact O-N 3.07Å
852P77.8Confident73.7Confident80 Ų80108.3 Ų108.352%0.51951%0.513SS..Hα-helixtrans-55.9-45.2-179.520-32.6000112.7V854 K855 A856P852-V854 PolarHBondContact O-N 3.3Å; P852-K855 WeakPolarHBondContact O-CB 3.3Å; P852-K855 PolarHBondContact O-N 2.94Å; P852-K855 VanDerWaalsContact O-N 3.16Å; P852-A856 PolarHBondContact O-N 2.83Å
853E77.5Confident74.3Confident128 Ų128109.2 Ų109.260%0.59851%0.512SS*.Hα-helixtrans-57.4-45.3177.6-56.5-42.9118.100113.2H851 K855 A856 W857H851-E853 VanDerWaalsContact C-N 3.34Å; H851-E853 PolarHBondContact O-N 3.49Å; E853-K855 VanDerWaalsContact C-N 3.32Å; E853-K855 PolarHBondContact O-N 2.83Å; E853-A856 PolarHBondContact O-N 2.8Å; E853-W857 WeakPolarHBondContact O-CB 3.39Å; E853-W857 PolarHBondContact O-N 3.42Å
854V74.8Confident75.3Confident45 Ų45105.8 Ų105.827%0.27350%0.497SS..Hα-helixtrans-69.4-33.3-179.5-178.70000110.8L848 L849 H851 P852 L858L848-V854 WeakPolarHBondContact O-CB 3.4Å; L848-V854 WeakPolarHBondContact O-CG2 3.37Å; L849-V854 HydrophobicContact CD2-CG1 4.25Å; H851-V854 HydrophobicContact CB-CB 4.48Å; H851-V854 HydrophobicContact CB-CG2 4.23Å; H851-V854 PolarHBondContact O-N 3.05Å; P852-V854 PolarHBondContact O-N 3.3Å; V854-L858 HydrophobicContact CG1-CD1 4.14Å; V854-L858 HydrophobicContact CG1-CG 4.46Å; V854-L858 WeakPolarHBondContact O-CB 3.47Å; V854-L858 VanDerWaalsContact O-CG 3.23Å; V854-L858 WeakPolarHBondContact O-CG 3.43Å; V854-L858 PolarHBondContact O-N 2.87Å
855K73.2Confident76.4Confident102 Ų102104.3 Ų104.344%0.44350%0.497SS..Hα-helixtrans-65.5-42.5169.6-78.4169.7178.5147.30112.4F850 H851 P852 E853 L858 W859F850-K855 WeakPolarHBondContact O-CE 3.5Å; F850-K855 PolarHBondContact O-NZ 2.96Å; H851-K855 PolarHBondContact O-N 3.23Å; H851-K855 VanDerWaalsContact O-N 3.07Å; P852-K855 WeakPolarHBondContact O-CB 3.3Å; P852-K855 PolarHBondContact O-N 2.94Å; P852-K855 VanDerWaalsContact O-N 3.16Å; E853-K855 VanDerWaalsContact C-N 3.32Å; E853-K855 PolarHBondContact O-N 2.83Å; K855-L858 PolarHBondContact O-N 3.46Å; K855-W859 WeakPolarHBondContact O-CB 3.44Å; K855-W859 PolarHBondContact O-N 3.3Å
856A79.4Confident77.6Confident56 Ų56107.1 Ų107.146%0.46350%0.503SS..Hα-helixtrans-63.1-44.9177.100000111P852 E853 W859 R860P852-A856 PolarHBondContact O-N 2.83Å; E853-A856 PolarHBondContact O-N 2.8Å; A856-W859 PolarHBondContact O-N 2.92Å; A856-R860 WeakPolarHBondContact O-CB 3.4Å; A856-R860 PolarHBondContact O-N 2.91Å
857W83.3Confident78.7Confident141 Ų141104.7 Ų104.753%0.53450%0.495SS..Hα-helixtrans-59.8-50.2174.1-174.194.7000111.8E853 W859 R860 W861 L865E853-W857 WeakPolarHBondContact O-CB 3.39Å; E853-W857 PolarHBondContact O-N 3.42Å; W857-W859 VanDerWaalsContact C-N 3.28Å; W857-W859 PolarHBondContact O-N 3Å; W857-R860 PolarHBondContact O-N 3.25Å; W857-R860 VanDerWaalsContact O-N 3.08Å; W857-W861 AromaticContact CD1-CD1 3.78Å; W857-W861 AromaticContact CD1-NE1 3.77Å; W857-W861 AromaticContact CD2-CD1 3.71Å; W857-W861 AromaticContact CE2-CD1 3.46Å; W857-W861 VanDerWaalsContact CE2-CD1 3.46Å; W857-W861 AromaticContact CE2-NE1 3.66Å; W857-W861 AromaticContact CG-CD1 3.89Å; W857-W861 AromaticContact CZ2-CD1 3.96Å; W857-W861 HydrophobicContact CZ2-CG 4.32Å; W857-W861 AromaticContact NE1-CD1 3.51Å; W857-W861 AromaticContact NE1-NE1 3.31Å; W857-W861 VanDerWaalsContact O-CD1 3.31Å; W857-W861 PolarHBondContact O-N 3.14Å; W857-L865 HydrophobicContact CZ3-CD1 4.45Å
858L78.7Confident80Confident66 Ų66104.5 Ų104.535%0.34649%0.494SS..Hα-helixtrans-59.8-36.1176.3-76.1170000112.5V854 K855 K862 L865V854-L858 HydrophobicContact CG1-CD1 4.14Å; V854-L858 HydrophobicContact CG1-CG 4.46Å; V854-L858 WeakPolarHBondContact O-CB 3.47Å; V854-L858 VanDerWaalsContact O-CG 3.23Å; V854-L858 WeakPolarHBondContact O-CG 3.43Å; V854-L858 PolarHBondContact O-N 2.87Å; K855-L858 PolarHBondContact O-N 3.46Å; L858-K862 WeakPolarHBondContact O-CA 3.08Å; L858-K862 PolarHBondContact O-N 3.15Å; L858-L865 HydrophobicContact CD2-CD1 3.8Å
859W76.8Confident81.4Confident181 Ų181106.9 Ų106.969%0.68651%0.507SS*.Hα-helixtrans-69.8-35174.4-96.781.2000113.3K855 A856 W857 K862K855-W859 WeakPolarHBondContact O-CB 3.44Å; K855-W859 PolarHBondContact O-N 3.3Å; A856-W859 PolarHBondContact O-N 2.92Å; W857-W859 VanDerWaalsContact C-N 3.28Å; W857-W859 PolarHBondContact O-N 3Å; W859-K862 HydrophobicContact CE3-CD 4.21Å; W859-K862 WeakPolarHBondContact O-CD 3.32Å; W859-K862 VanDerWaalsContact O-CG 3.3Å; W859-K862 WeakPolarHBondContact O-CG 3.14Å
860R84.9Confident82.6Confident210 Ų210105.3 Ų105.379%0.79250%0.5SS*.Hα-helixtrans-71.4-38.1176.4-162.7168.7113.61491.2111.9A856 W857A856-R860 WeakPolarHBondContact O-CB 3.4Å; A856-R860 PolarHBondContact O-N 2.91Å; W857-R860 PolarHBondContact O-N 3.25Å; W857-R860 VanDerWaalsContact O-N 3.08Å
861W88.9Confident83.8Confident115 Ų115104.1 Ų104.144%0.43650%0.499SS..SBendtrans-92.66.2180-70.695000114.9W857 L863 P864 L865W857-W861 AromaticContact CD1-CD1 3.78Å; W857-W861 AromaticContact CD1-NE1 3.77Å; W857-W861 AromaticContact CD2-CD1 3.71Å; W857-W861 AromaticContact CE2-CD1 3.46Å; W857-W861 VanDerWaalsContact CE2-CD1 3.46Å; W857-W861 AromaticContact CE2-NE1 3.66Å; W857-W861 AromaticContact CG-CD1 3.89Å; W857-W861 AromaticContact CZ2-CD1 3.96Å; W857-W861 HydrophobicContact CZ2-CG 4.32Å; W857-W861 AromaticContact NE1-CD1 3.51Å; W857-W861 AromaticContact NE1-NE1 3.31Å; W857-W861 VanDerWaalsContact O-CD1 3.31Å; W857-W861 PolarHBondContact O-N 3.14Å; W861-L863 VanDerWaalsContact C-N 3.28Å; W861-L863 PolarHBondContact O-N 2.91Å; W861-L863 VanDerWaalsContact O-N 3.14Å; W861-P864 HydrophobicContact CE3-CB 3.95Å; W861-P864 HydrophobicContact CE3-CG 3.91Å; W861-P864 HydrophobicContact CZ3-CB 4.49Å; W861-P864 HydrophobicContact CZ3-CG 4.41Å; W861-P864 VanDerWaalsContact O-CD 3.29Å; W861-P864 WeakPolarHBondContact O-CD 3.26Å; W861-L865 HydrophobicContact CB-CD1 4.05Å; W861-L865 WeakPolarHBondContact O-CB 3.42Å; W861-L865 PolarHBondContact O-N 2.85Å
862K87.1Confident84.9Confident121 Ų121103.1 Ų103.153%0.52650%0.5SS..Hα-helixtrans-54.8-35.5-173.370.5-173.5173.3-176.10115.2L858 W859 F866L858-K862 WeakPolarHBondContact O-CA 3.08Å; L858-K862 PolarHBondContact O-N 3.15Å; W859-K862 HydrophobicContact CE3-CD 4.21Å; W859-K862 WeakPolarHBondContact O-CD 3.32Å; W859-K862 VanDerWaalsContact O-CG 3.3Å; W859-K862 WeakPolarHBondContact O-CG 3.14Å; K862-F866 WeakPolarHBondContact O-CB 3.34Å; K862-F866 PolarHBondContact O-N 3.48Å
863L82.7Confident85.6Confident118 Ų118101.3 Ų101.362%0.61849%0.492SS*.Hα-helixtrans-79.5-48.6-177.8-165.982.2000111.5W861 L865 F866 I867W861-L863 VanDerWaalsContact C-N 3.28Å; W861-L863 PolarHBondContact O-N 2.91Å; W861-L863 VanDerWaalsContact O-N 3.14Å; L863-L865 VanDerWaalsContact C-N 3.33Å; L863-L865 PolarHBondContact O-N 3Å; L863-F866 PolarHBondContact O-N 3.23Å; L863-I867 HydrophobicContact CG-CD1 4.3Å; L863-I867 WeakPolarHBondContact O-CG1 3.16Å; L863-I867 PolarHBondContact O-N 3.4Å
864P91.5Very high86.3Confident61 Ų61100.5 Ų100.540%0.39649%0.491SS..Hα-helixtrans-52.1-45.5166-29.834.8000114.2W861 F866 I867 L868W861-P864 HydrophobicContact CE3-CB 3.95Å; W861-P864 HydrophobicContact CE3-CG 3.91Å; W861-P864 HydrophobicContact CZ3-CB 4.49Å; W861-P864 HydrophobicContact CZ3-CG 4.41Å; W861-P864 VanDerWaalsContact O-CD 3.29Å; W861-P864 WeakPolarHBondContact O-CD 3.26Å; P864-F866 VanDerWaalsContact C-N 3.34Å; P864-F866 PolarHBondContact O-N 3.13Å; P864-I867 PolarHBondContact O-N 2.63Å; P864-L868 WeakPolarHBondContact O-CB 3.22Å; P864-L868 PolarHBondContact O-N 3.38Å
865L87.4Confident87.1Confident68 Ų68102 Ų10236%0.35650%0.504SS..Hα-helixtrans-61.8-39.7177.9-89.9159.4000112.4W857 L858 W861 L863 L869W857-L865 HydrophobicContact CZ3-CD1 4.45Å; L858-L865 HydrophobicContact CD2-CD1 3.8Å; W861-L865 HydrophobicContact CB-CD1 4.05Å; W861-L865 WeakPolarHBondContact O-CB 3.42Å; W861-L865 PolarHBondContact O-N 2.85Å; L863-L865 VanDerWaalsContact C-N 3.33Å; L863-L865 PolarHBondContact O-N 3Å; L865-L869 VanDerWaalsContact O-CB 3.25Å; L865-L869 WeakPolarHBondContact O-CB 3.38Å; L865-L869 PolarHBondContact O-N 3.07Å
866F89.6Confident87.9Confident136 Ų136101.8 Ų101.860%0.59651%0.507SS*.Hα-helixtrans-64-47.5175.2-176.7-96.8000111.7K862 L863 P864 L869 T870K862-F866 WeakPolarHBondContact O-CB 3.34Å; K862-F866 PolarHBondContact O-N 3.48Å; L863-F866 PolarHBondContact O-N 3.23Å; P864-F866 VanDerWaalsContact C-N 3.34Å; P864-F866 PolarHBondContact O-N 3.13Å; F866-L869 PolarHBondContact O-N 2.99Å; F866-T870 HydrophobicContact CD1-CG2 4.36Å; F866-T870 HydrophobicContact CE1-CG2 3.93Å; F866-T870 HydrophobicContact CE2-CG2 4.49Å; F866-T870 HydrophobicContact CZ-CG2 4Å; F866-T870 PolarHBondContact O-N 2.68Å; F866-T870 PolarHBondContact O-OG1 3.06Å
867I90.7Very high88.4Confident86 Ų86104 Ų10444%0.44151%0.51SS..Hα-helixtrans-62.6-44.4179.5-65.7164.6000111.1L863 P864 L869 T870 N871L863-I867 HydrophobicContact CG-CD1 4.3Å; L863-I867 WeakPolarHBondContact O-CG1 3.16Å; L863-I867 PolarHBondContact O-N 3.4Å; P864-I867 PolarHBondContact O-N 2.63Å; I867-L869 PolarHBondContact O-N 2.9Å; I867-T870 WeakPolarHBondContact CA-OG1 3.16Å; I867-T870 PolarHBondContact O-N 3Å; I867-T870 PolarHBondContact O-OG1 2.9Å; I867-N871 WeakPolarHBondContact O-CB 3.5Å; I867-N871 PolarHBondContact O-N 3.21Å; I867-N871 PolarHBondContact O-OD1 2.64Å
868L91.9Very high88.6Confident108 Ų108103.6 Ų103.657%0.56551%0.512SS*.Hα-helixtrans-57.7-48.8174.7-178.170.3000111P864 N871 V872P864-L868 WeakPolarHBondContact O-CB 3.22Å; P864-L868 PolarHBondContact O-N 3.38Å; L868-N871 PolarHBondContact O-N 3.42Å; L868-V872 WeakPolarHBondContact O-CG2 3.39Å; L868-V872 PolarHBondContact O-N 2.83Å
869L90.9Very high89.1Confident123 Ų123107.3 Ų107.364%0.64452%0.523SS*.Hα-helixtrans-67.7-37.1-177.4-164.6154.1000111.8L865 F866 I867 A873L865-L869 VanDerWaalsContact O-CB 3.25Å; L865-L869 WeakPolarHBondContact O-CB 3.38Å; L865-L869 PolarHBondContact O-N 3.07Å; F866-L869 PolarHBondContact O-N 2.99Å; I867-L869 PolarHBondContact O-N 2.9Å; L869-A873 WeakPolarHBondContact O-CB 3.28Å; L869-A873 PolarHBondContact O-N 2.74Å
870T91.4Very high89.4Confident48 Ų48104.6 Ų104.629%0.29452%0.516SS..Hα-helixtrans-64.8-38.8171.448.30000112.4F866 I867 A873 L874F866-T870 HydrophobicContact CD1-CG2 4.36Å; F866-T870 HydrophobicContact CE1-CG2 3.93Å; F866-T870 HydrophobicContact CE2-CG2 4.49Å; F866-T870 HydrophobicContact CZ-CG2 4Å; F866-T870 PolarHBondContact O-N 2.68Å; F866-T870 PolarHBondContact O-OG1 3.06Å; I867-T870 WeakPolarHBondContact CA-OG1 3.16Å; I867-T870 PolarHBondContact O-N 3Å; I867-T870 PolarHBondContact O-OG1 2.9Å; T870-A873 PolarHBondContact O-N 2.8Å; T870-L874 WeakPolarHBondContact O-CB 3.04Å; T870-L874 VanDerWaalsContact O-CG 3.29Å; T870-L874 WeakPolarHBondContact O-CG 3.29Å; T870-L874 PolarHBondContact O-N 3.2Å
871N91.3Very high89.3Confident94 Ų9499.9 Ų99.950%0.50351%0.506SS..Hα-helixtrans-69.6-40179.1-69.5-3.6000111.8I867 L868 L874 S875I867-N871 WeakPolarHBondContact O-CB 3.5Å; I867-N871 PolarHBondContact O-N 3.21Å; I867-N871 PolarHBondContact O-OD1 2.64Å; L868-N871 PolarHBondContact O-N 3.42Å; N871-L874 PolarHBondContact O-N 3.06Å; N871-S875 WeakPolarHBondContact O-CB 3.29Å; N871-S875 PolarHBondContact O-N 2.93Å
872V93.5Very high89.1Confident79 Ų7999 Ų9948%0.47951%0.509SS..Hα-helixtrans-63.9-43172.7172.30000111L868 S875 L876L868-V872 WeakPolarHBondContact O-CG2 3.39Å; L868-V872 PolarHBondContact O-N 2.83Å; V872-S875 PolarHBondContact O-N 2.76Å; V872-L876 HydrophobicContact CG1-CD1 4.09Å; V872-L876 WeakPolarHBondContact O-CG 3.42Å; V872-L876 PolarHBondContact O-N 3.3Å
873A91.9Very high88.6Confident41 Ų4195.5 Ų95.534%0.33950%0.498SS..Hα-helixtrans-62.7-42.9176.400000112.4L869 T870 L876 I877L869-A873 WeakPolarHBondContact O-CB 3.28Å; L869-A873 PolarHBondContact O-N 2.74Å; T870-A873 PolarHBondContact O-N 2.8Å; A873-L876 PolarHBondContact O-N 2.73Å; A873-I877 WeakPolarHBondContact O-CD1 3.22Å; A873-I877 VanDerWaalsContact O-CG1 3.26Å; A873-I877 WeakPolarHBondContact O-CG1 3.43Å; A873-I877 PolarHBondContact O-N 2.85Å
874L93.2Very high87.6Confident111 Ų11194 Ų9458%0.58149%0.49SS*.Hα-helixtrans-62.9-41.5174.5-74.4167.3000111.9T870 N871 I877 F878T870-L874 WeakPolarHBondContact O-CB 3.04Å; T870-L874 VanDerWaalsContact O-CG 3.29Å; T870-L874 WeakPolarHBondContact O-CG 3.29Å; T870-L874 PolarHBondContact O-N 3.2Å; N871-L874 PolarHBondContact O-N 3.06Å; L874-I877 PolarHBondContact O-N 2.91Å; L874-F878 WeakPolarHBondContact O-CB 3.33Å; L874-F878 PolarHBondContact O-N 2.94Å
875S91.5Very high86Confident77 Ų7795.7 Ų95.754%0.53850%0.5SS..Hα-helixtrans-63.4-42176.2-175.50000112.2N871 V872 F878 Y879N871-S875 WeakPolarHBondContact O-CB 3.29Å; N871-S875 PolarHBondContact O-N 2.93Å; V872-S875 PolarHBondContact O-N 2.76Å; S875-F878 PolarHBondContact O-N 3.21Å; S875-Y879 WeakPolarHBondContact O-CB 3.24Å; S875-Y879 PolarHBondContact O-N 2.74Å
876L90.3Very high84.4Confident97 Ų97100.9 Ų100.951%0.50852%0.519SS..Hα-helixtrans-66.1-40.4175-71.8171.1000112.5V872 A873 Y879 F880V872-L876 HydrophobicContact CG1-CD1 4.09Å; V872-L876 WeakPolarHBondContact O-CG 3.42Å; V872-L876 PolarHBondContact O-N 3.3Å; A873-L876 PolarHBondContact O-N 2.73Å; L876-Y879 PolarHBondContact O-N 3.2Å; L876-F880 WeakPolarHBondContact O-CD2 3.45Å; L876-F880 PolarHBondContact O-N 3.44Å
877I88.5Confident82.6Confident102 Ų102100 Ų10052%0.52352%0.52SS..Hα-helixtrans-63.4-44.8174.5-69.7163.4000110.4A873 L874 Y879 F880 L881A873-I877 WeakPolarHBondContact O-CD1 3.22Å; A873-I877 VanDerWaalsContact O-CG1 3.26Å; A873-I877 WeakPolarHBondContact O-CG1 3.43Å; A873-I877 PolarHBondContact O-N 2.85Å; L874-I877 PolarHBondContact O-N 2.91Å; I877-Y879 PolarHBondContact O-N 2.9Å; I877-F880 PolarHBondContact O-N 3.21Å; I877-L881 HydrophobicContact CG2-CD1 4.01Å; I877-L881 WeakPolarHBondContact O-CG 3.38Å; I877-L881 PolarHBondContact O-N 2.91Å
878F88.2Confident80.9Confident134 Ų134102.6 Ų102.659%0.58854%0.535SS*.Hα-helixtrans-62.6-41.7177.2-174.6-113.5000112L874 S875 L881 L882L874-F878 WeakPolarHBondContact O-CB 3.33Å; L874-F878 PolarHBondContact O-N 2.94Å; S875-F878 PolarHBondContact O-N 3.21Å; F878-L881 PolarHBondContact O-N 3.18Å; F878-L882 HydrophobicContact CD1-CD1 3.82Å; F878-L882 HydrophobicContact CE1-CD1 3.49Å; F878-L882 VanDerWaalsContact CE1-CD1 3.49Å; F878-L882 HydrophobicContact CE1-CG 4.48Å; F878-L882 HydrophobicContact CE2-CD1 4.43Å; F878-L882 HydrophobicContact CG-CD1 4.43Å; F878-L882 HydrophobicContact CZ-CD1 3.83Å; F878-L882 HydrophobicContact CZ-CG 4.44Å; F878-L882 WeakPolarHBondContact O-CG 3.37Å; F878-L882 PolarHBondContact O-N 2.95Å
879Y88.6Confident79.1Confident144 Ų144108.1 Ų108.157%0.56555%0.548SS*.Hα-helixtrans-60.4-47.9172.6-179.7-97.1000112S875 L876 I877 L881 L882 T883S875-Y879 WeakPolarHBondContact O-CB 3.24Å; S875-Y879 PolarHBondContact O-N 2.74Å; L876-Y879 PolarHBondContact O-N 3.2Å; I877-Y879 PolarHBondContact O-N 2.9Å; Y879-L881 VanDerWaalsContact C-N 3.31Å; Y879-L881 PolarHBondContact O-N 2.84Å; Y879-L882 PolarHBondContact O-N 3.25Å; Y879-L882 VanDerWaalsContact O-N 3.15Å; Y879-T883 HydrophobicContact CD1-CG2 4.22Å; Y879-T883 HydrophobicContact CD2-CG2 4.4Å; Y879-T883 HydrophobicContact CE1-CG2 3.78Å; Y879-T883 HydrophobicContact CE2-CG2 3.99Å; Y879-T883 PolarHBondContact O-N 3.46Å; Y879-T883 PolarHBondContact O-OG1 3.49Å; Y879-T883 VanDerWaalsContact O-OG1 3.11Å
880F83.3Confident77.3Confident124 Ų124106.9 Ų106.954%0.54455%0.55SS.*Hα-helixtrans-63.4-32.8177.2-94.6-72.1000113.5L876 I877 T883 N884L876-F880 WeakPolarHBondContact O-CD2 3.45Å; L876-F880 PolarHBondContact O-N 3.44Å; I877-F880 PolarHBondContact O-N 3.21Å; F880-T883 WeakPolarHBondContact CA-OG1 3.41Å; F880-T883 PolarHBondContact O-OG1 2.85Å; F880-N884 VanDerWaalsContact O-CB 3.28Å; F880-N884 WeakPolarHBondContact O-CB 3.4Å; F880-N884 VanDerWaalsContact O-CG 3.25Å; F880-N884 PolarHBondContact O-N 3.04Å; F880-N884 PolarHBondContact O-ND2 3.09Å
881L84.2Confident75.2Confident111 Ų111110.6 Ų110.658%0.58157%0.573SS**Hα-helixtrans-69.4-39.1173.1-70.4168.3000111.6I877 F878 Y879 T885I877-L881 HydrophobicContact CG2-CD1 4.01Å; I877-L881 WeakPolarHBondContact O-CG 3.38Å; I877-L881 PolarHBondContact O-N 2.91Å; F878-L881 PolarHBondContact O-N 3.18Å; Y879-L881 VanDerWaalsContact C-N 3.31Å; Y879-L881 PolarHBondContact O-N 2.84Å; L881-T885 WeakPolarHBondContact O-CG2 3.35Å; L881-T885 PolarHBondContact O-N 3.1Å; L881-T885 PolarHBondContact O-OG1 2.81Å
882L82.7Confident72.8Confident96 Ų96114.8 Ų114.850%0.50361%0.61SS.*Hα-helixtrans-71.2-29.4176.7-75.1171.2000113.7F878 Y879 T885F878-L882 HydrophobicContact CD1-CD1 3.82Å; F878-L882 HydrophobicContact CE1-CD1 3.49Å; F878-L882 VanDerWaalsContact CE1-CD1 3.49Å; F878-L882 HydrophobicContact CE1-CG 4.48Å; F878-L882 HydrophobicContact CE2-CD1 4.43Å; F878-L882 HydrophobicContact CG-CD1 4.43Å; F878-L882 HydrophobicContact CZ-CD1 3.83Å; F878-L882 HydrophobicContact CZ-CG 4.44Å; F878-L882 WeakPolarHBondContact O-CG 3.37Å; F878-L882 PolarHBondContact O-N 2.95Å; Y879-L882 PolarHBondContact O-N 3.25Å; Y879-L882 VanDerWaalsContact O-N 3.15Å; L882-T885 PolarHBondContact O-OG1 3.11Å
883T77.5Confident71.8Confident48 Ų48116.6 Ų116.629%0.29462%0.616SS.*Hα-helixtrans-86.1-41.4178.653.30000112.8Y879 F880 T885 K886Y879-T883 HydrophobicContact CD1-CG2 4.22Å; Y879-T883 HydrophobicContact CD2-CG2 4.4Å; Y879-T883 HydrophobicContact CE1-CG2 3.78Å; Y879-T883 HydrophobicContact CE2-CG2 3.99Å; Y879-T883 PolarHBondContact O-N 3.46Å; Y879-T883 PolarHBondContact O-OG1 3.49Å; Y879-T883 VanDerWaalsContact O-OG1 3.11Å; F880-T883 WeakPolarHBondContact CA-OG1 3.41Å; F880-T883 PolarHBondContact O-OG1 2.85Å; T883-T885 VanDerWaalsContact C-N 3.28Å; T883-T885 PolarHBondContact O-N 2.92Å; T883-K886 PolarHBondContact O-N 3.02Å
884N62Low70.7Confident85 Ų85120.6 Ų120.646%0.45563%0.631SS.*Hα-helixtrans-63.3-33.3178.9-74-36.6000112.6F880 K886 L887F880-N884 VanDerWaalsContact O-CB 3.28Å; F880-N884 WeakPolarHBondContact O-CB 3.4Å; F880-N884 VanDerWaalsContact O-CG 3.25Å; F880-N884 PolarHBondContact O-N 3.04Å; F880-N884 PolarHBondContact O-ND2 3.09Å; N884-K886 PolarHBondContact O-N 3.15Å; N884-L887 PolarHBondContact O-N 2.7Å; N884-L887 VanDerWaalsContact O-N 3.15Å
885T57Low69.5Low98 Ų98121.1 Ų121.160%0.60163%0.634SS**THydrogen-bonded Turntrans-65.5-1.4177.745.10000115.1L881 L882 T883L881-T885 WeakPolarHBondContact O-CG2 3.35Å; L881-T885 PolarHBondContact O-N 3.1Å; L881-T885 PolarHBondContact O-OG1 2.81Å; L882-T885 PolarHBondContact O-OG1 3.11Å; T883-T885 VanDerWaalsContact C-N 3.28Å; T883-T885 PolarHBondContact O-N 2.92Å
886K54.6Low68.2Low176 Ų176123.7 Ų123.777%0.76564%0.639SS**THydrogen-bonded Turntrans-100.3-8.3173.5-73.4-168.8172.5-173.40115.5T883 N884T883-K886 PolarHBondContact O-N 3.02Å; N884-K886 PolarHBondContact O-N 3.15Å
887L52.7Low66.8Low117 Ų117125.4 Ų125.461%0.61365%0.648SS**THydrogen-bonded Turntrans-91.6-33.3-177.9-79.1160.7000113.2N884 R889N884-L887 PolarHBondContact O-N 2.7Å; N884-L887 VanDerWaalsContact O-N 3.15Å; L887-R889 PolarHBondContact O-N 2.79Å
888D54.7Low65.4Low142 Ų142126.9 Ų126.976%0.75966%0.656SS**THydrogen-bonded Turntrans-77.126.3-177.2-57.5-29000114.3
889R53.5Low63.7Low223 Ų223126.4 Ų126.484%0.84266%0.661SS**THydrogen-bonded Turntrans-132.711.1-178.5-79.7-165.7175.6-158.9-0.8115.2L887L887-R889 PolarHBondContact O-N 2.79Å
890S53.4Low61.8Low98 Ų98125.1 Ų125.169%0.68567%0.668SS**SBendtrans-119.717.6176.863.70000114
891T47.6Very low60Low126 Ų126125.2 Ų125.277%0.77368%0.679SS**  trans-142.761.6-179.657.40000111.4
892S40.9Very low57.9Low182 Ų182126.5 Ų126.5100%1.27369%0.688SS**  trans-148.40170.862.90000109.8

Retrieved 892 of 892 residues in 722.7 ms (Link to these results)

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