A0A096NY80_PAPAN Loading...

Zinc finger CCCH-type containing, antiviral 1

AlphaFold DB , UniProt , Accession A0A096NY80, Species PAPAN (Papio anubis, Olive baboon), Gene ZC3HAV1, Length 1,026 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
1M45.5Very low77.2Confident181 Ų18161.5 Ų61.589%0.89233%0.328SS*.  0-20.80-74.7177.466.600113.1E39M1-E39 WeakPolarHBondContact CB-OE1 3.43Å; M1-E39 WeakPolarHBondContact CE-OE2 3.11Å
2A56.8Low78.4Confident29 Ų2962.3 Ų62.324%0.2433%0.326CS..  trans-85.2110.1146.700000109.1V40 V43A2-V40 HydrophobicContact CB-CG1 4.49Å; A2-V43 HydrophobicContact CB-CB 3.85Å; A2-V43 HydrophobicContact CB-CG1 3.5Å; A2-V43 VanDerWaalsContact CB-CG1 3.5Å
3D69.3Low79.5Confident79 Ų7958.7 Ų58.742%0.42231%0.308SS..  trans-85.9135.1169.4-163.6-64.5000109.3E5 V6 C7D3-E5 PolarHBondContact O-N 3.1Å; D3-E5 WeakPolarHBondContact OD1-CB 3.37Å; D3-E5 PolarHBondContact OD1-N 3.31Å; D3-V6 HydrophobicContact CB-CB 4.24Å; D3-V6 HydrophobicContact CB-CG2 3.99Å; D3-V6 PolarHBondContact O-N 3.28Å; D3-C7 PolarHBondContact O-N 2.92Å; D3-C7 PolarHBondContact O-SG 3.09Å
4P72.8Confident80.4Confident72 Ų7254.5 Ų54.547%0.46829%0.286SS..Hα-helixtrans-52-32.6172.3-29.337.4000114.2C8 E125P4-C8 VanDerWaalsContact O-CB 3.28Å; P4-C8 WeakPolarHBondContact O-CB 3.1Å; P4-C8 PolarHBondContact O-N 3.31Å; P4-E125 WeakPolarHBondContact CA-OE2 3.4Å; P4-E125 WeakPolarHBondContact CB-OE2 3.5Å
5E78.4Confident81.3Confident158 Ų15851.1 Ų51.174%0.73827%0.268SS*.Hα-helixtrans-70.8-45.3178.1-61.7-173.2176.900111.2D3 C7 C8 F9D3-E5 PolarHBondContact O-N 3.1Å; D3-E5 WeakPolarHBondContact OD1-CB 3.37Å; D3-E5 PolarHBondContact OD1-N 3.31Å; E5-C7 VanDerWaalsContact C-N 3.34Å; E5-C7 PolarHBondContact O-N 3.27Å; E5-C8 WeakPolarHBondContact O-CB 3.38Å; E5-C8 PolarHBondContact O-N 3.13Å; E5-F9 WeakPolarHBondContact O-CB 3.47Å; E5-F9 PolarHBondContact O-N 2.99Å
6V83.9Confident81.9Confident51 Ų5151.9 Ų51.931%0.30928%0.284SS..Hα-helixtrans-63-40.7173.7177.90000110.9D3 C8 F9 I10 V40D3-V6 HydrophobicContact CB-CB 4.24Å; D3-V6 HydrophobicContact CB-CG2 3.99Å; D3-V6 PolarHBondContact O-N 3.28Å; V6-C8 VanDerWaalsContact C-N 3.35Å; V6-C8 PolarHBondContact O-N 3.32Å; V6-F9 WeakPolarHBondContact O-CB 3.46Å; V6-F9 PolarHBondContact O-N 3.45Å; V6-I10 HydrophobicContact CG1-CD1 4.03Å; V6-I10 WeakPolarHBondContact O-CG1 3.4Å; V6-I10 PolarHBondContact O-N 2.73Å; V6-V40 HydrophobicContact CG1-CG1 4.13Å
7C85.1Confident82.5Confident2 Ų254.9 Ų54.91%0.01430%0.296CS..Hα-helixtrans-67.3-35.8176-61.10000111.9D3 E5 T11 R48 F49D3-C7 PolarHBondContact O-N 2.92Å; D3-C7 PolarHBondContact O-SG 3.09Å; E5-C7 VanDerWaalsContact C-N 3.34Å; E5-C7 PolarHBondContact O-N 3.27Å; C7-T11 WeakPolarHBondContact O-CB 3.49Å; C7-T11 PolarHBondContact O-N 2.7Å; C7-T11 PolarHBondContact O-OG1 2.83Å; C7-R48 VanDerWaalsContact CB-NH2 3.27Å; C7-F49 HydrophobicContact CB-CE2 4.44Å
8C85.9Confident82.8Confident26 Ų2653.8 Ų53.818%0.17630%0.3CS..Hα-helixtrans-65.5-39.4172.4-169.30000111.3P4 E5 V6 T11 K12P4-C8 VanDerWaalsContact O-CB 3.28Å; P4-C8 WeakPolarHBondContact O-CB 3.1Å; P4-C8 PolarHBondContact O-N 3.31Å; E5-C8 WeakPolarHBondContact O-CB 3.38Å; E5-C8 PolarHBondContact O-N 3.13Å; V6-C8 VanDerWaalsContact C-N 3.35Å; V6-C8 PolarHBondContact O-N 3.32Å; C8-T11 PolarHBondContact O-N 2.66Å; C8-K12 WeakPolarHBondContact O-CB 3.48Å; C8-K12 PolarHBondContact O-N 3.05Å
9F88.8Confident83.3Confident73 Ų7351 Ų5132%0.3228%0.284SS..Hα-helixtrans-64.8-48.8177.1-174.4-116.8000112.4E5 V6 T11 K12 I13 I30 Y768E5-F9 WeakPolarHBondContact O-CB 3.47Å; E5-F9 PolarHBondContact O-N 2.99Å; V6-F9 WeakPolarHBondContact O-CB 3.46Å; V6-F9 PolarHBondContact O-N 3.45Å; F9-T11 VanDerWaalsContact C-N 3.31Å; F9-T11 PolarHBondContact O-N 2.79Å; F9-K12 WeakPolarHBondContact O-CB 3.45Å; F9-K12 PolarHBondContact O-N 2.91Å; F9-K12 VanDerWaalsContact O-N 3.1Å; F9-I13 HydrophobicContact CD1-CD1 3.94Å; F9-I13 HydrophobicContact CD2-CD1 4.46Å; F9-I13 HydrophobicContact CE1-CD1 3.55Å; F9-I13 HydrophobicContact CE2-CD1 4.11Å; F9-I13 HydrophobicContact CG-CD1 4.38Å; F9-I13 HydrophobicContact CZ-CD1 3.64Å; F9-I13 HydrophobicContact CZ-CG1 4.5Å; F9-I13 PolarHBondContact O-N 2.93Å; F9-I30 HydrophobicContact CD1-CD1 4.5Å; F9-I30 HydrophobicContact CD1-CG1 4.38Å; F9-I30 HydrophobicContact CE1-CG1 4.01Å; F9-Y768 WeakPolarHBondContact CE2-OH 3.35Å
10I90.4Very high83.8Confident0 Ų051.8 Ų51.80%028%0.282CS..Hα-helixtrans-56.7-46172.2-64.9161.1000110.5V6 K12 I13 L14 L26 I30 L37 V40 L41 F49V6-I10 HydrophobicContact CG1-CD1 4.03Å; V6-I10 WeakPolarHBondContact O-CG1 3.4Å; V6-I10 PolarHBondContact O-N 2.73Å; I10-K12 VanDerWaalsContact C-N 3.28Å; I10-K12 PolarHBondContact O-N 2.95Å; I10-I13 PolarHBondContact O-N 3.13Å; I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 2.64Å; I10-L26 HydrophobicContact CG2-CD2 4.39Å; I10-I30 HydrophobicContact CB-CD1 4.38Å; I10-I30 HydrophobicContact CG1-CD1 3.6Å; I10-L37 HydrophobicContact CD1-CD1 3.86Å; I10-L37 HydrophobicContact CG1-CD1 4.27Å; I10-V40 HydrophobicContact CD1-CB 4.42Å; I10-V40 HydrophobicContact CD1-CG1 3.53Å; I10-L41 HydrophobicContact CG2-CD2 4.09Å; I10-F49 HydrophobicContact CB-CE1 4.22Å; I10-F49 HydrophobicContact CB-CZ 3.87Å; I10-F49 HydrophobicContact CG2-CD1 4.11Å; I10-F49 HydrophobicContact CG2-CE1 3.57Å; I10-F49 HydrophobicContact CG2-CE2 4.21Å; I10-F49 HydrophobicContact CG2-CZ 3.62Å
11T91.9Very high84.2Confident5 Ų550.1 Ų50.13%0.03127%0.273CS..Hα-helixtrans-60-40.7178.2-520000111C7 C8 F9 C15 F49 L126 L129 L137C7-T11 WeakPolarHBondContact O-CB 3.49Å; C7-T11 PolarHBondContact O-N 2.7Å; C7-T11 PolarHBondContact O-OG1 2.83Å; C8-T11 PolarHBondContact O-N 2.66Å; F9-T11 VanDerWaalsContact C-N 3.31Å; F9-T11 PolarHBondContact O-N 2.79Å; T11-C15 WeakPolarHBondContact O-CB 3.35Å; T11-C15 PolarHBondContact O-N 3.09Å; T11-C15 PolarHBondContact O-SG 3.18Å; T11-F49 WeakPolarHBondContact OG1-CE1 3.22Å; T11-F49 WeakPolarHBondContact OG1-CZ 3.44Å; T11-L126 HydrophobicContact CG2-CD2 4.47Å; T11-L129 HydrophobicContact CG2-CD1 4.06Å; T11-L129 HydrophobicContact CG2-CD2 4.12Å; T11-L137 HydrophobicContact CG2-CD2 3.91Å
12K92.1Very high86.4Confident71 Ų7143.4 Ų43.431%0.30925%0.246SC..Hα-helixtrans-64.9-50.8179.8-174172.3-177.21710112.6C8 F9 I10 L14 C15 A16 L129 E133C8-K12 WeakPolarHBondContact O-CB 3.48Å; C8-K12 PolarHBondContact O-N 3.05Å; F9-K12 WeakPolarHBondContact O-CB 3.45Å; F9-K12 PolarHBondContact O-N 2.91Å; F9-K12 VanDerWaalsContact O-N 3.1Å; I10-K12 VanDerWaalsContact C-N 3.28Å; I10-K12 PolarHBondContact O-N 2.95Å; K12-L14 VanDerWaalsContact C-N 3.35Å; K12-L14 PolarHBondContact O-N 2.97Å; K12-C15 PolarHBondContact O-N 3.26Å; K12-A16 WeakPolarHBondContact O-CB 3.27Å; K12-A16 PolarHBondContact O-N 2.87Å; K12-L129 HydrophobicContact CB-CD2 4.32Å; K12-E133 VanDerWaalsContact CE-OE1 3.29Å; K12-E133 WeakPolarHBondContact CE-OE1 3.36Å
13I92.4Very high87.9Confident16 Ų1642.1 Ų42.18%0.08224%0.235CC..Hα-helixtrans-56.8-50.6177.1-68.5163.8000110F9 I10 C15 A16 H17 M21 L26 E29 I30F9-I13 HydrophobicContact CD1-CD1 3.94Å; F9-I13 HydrophobicContact CD2-CD1 4.46Å; F9-I13 HydrophobicContact CE1-CD1 3.55Å; F9-I13 HydrophobicContact CE2-CD1 4.11Å; F9-I13 HydrophobicContact CG-CD1 4.38Å; F9-I13 HydrophobicContact CZ-CD1 3.64Å; F9-I13 HydrophobicContact CZ-CG1 4.5Å; F9-I13 PolarHBondContact O-N 2.93Å; I10-I13 PolarHBondContact O-N 3.13Å; I13-C15 VanDerWaalsContact C-N 3.31Å; I13-C15 PolarHBondContact O-N 3.47Å; I13-A16 PolarHBondContact O-N 2.9Å; I13-H17 PolarHBondContact O-CD2 2.79Å; I13-H17 VanDerWaalsContact O-CD2 3.3Å; I13-H17 PolarHBondContact O-N 3.33Å; I13-M21 HydrophobicContact CG2-CE 3.47Å; I13-M21 VanDerWaalsContact CG2-CE 3.47Å; I13-M21 HydrophobicContact CG2-SD 4.49Å; I13-L26 HydrophobicContact CG2-CD1 3.99Å; I13-E29 HydrophobicContact CD1-CB 4.19Å; I13-E29 HydrophobicContact CG2-CB 4.42Å; I13-E29 HydrophobicContact CG2-CG 4.5Å; I13-I30 HydrophobicContact CD1-CD1 3.77Å; I13-I30 HydrophobicContact CD1-CG1 3.52Å
14L92.9Very high88.8Confident0 Ų043 Ų430%024%0.24CC..Hα-helixtrans-59-40178.5-69.2175.1000112.5I10 K12 H17 G19 M21 L26 F49 V64 A66I10-L14 HydrophobicContact CG2-CD1 3.85Å; I10-L14 HydrophobicContact CG2-CG 4.38Å; I10-L14 WeakPolarHBondContact O-CB 3.26Å; I10-L14 VanDerWaalsContact O-CG 3.3Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 2.64Å; K12-L14 VanDerWaalsContact C-N 3.35Å; K12-L14 PolarHBondContact O-N 2.97Å; L14-H17 CarbonylContact O-C 3.24Å; L14-H17 PolarHBondContact O-N 2.87Å; L14-G19 CarbonylContact O-C 3.56Å; L14-G19 WeakPolarHBondContact O-CA 3.39Å; L14-G19 PolarHBondContact O-N 3Å; L14-M21 HydrophobicContact CD2-CB 3.68Å; L14-L26 HydrophobicContact CD2-CD1 4.17Å; L14-L26 HydrophobicContact CD2-CD2 4.32Å; L14-L26 HydrophobicContact CG-CD1 4.36Å; L14-F49 HydrophobicContact CD1-CD1 3.75Å; L14-F49 HydrophobicContact CD1-CE1 3.97Å; L14-V64 HydrophobicContact CD1-CB 4.34Å; L14-V64 HydrophobicContact CD1-CG1 3.72Å; L14-V64 HydrophobicContact CD2-CB 4.24Å; L14-A66 HydrophobicContact CB-CB 3.94Å; L14-A66 HydrophobicContact CD1-CB 4.11Å
15C92.6Very high89.6Confident3 Ų341.1 Ų41.12%0.0223%0.23CC..Hα-helixtrans-74.2-33.4180-64.90000113.1T11 K12 I13 H17 G18 L129 E133T11-C15 WeakPolarHBondContact O-CB 3.35Å; T11-C15 PolarHBondContact O-N 3.09Å; T11-C15 PolarHBondContact O-SG 3.18Å; K12-C15 PolarHBondContact O-N 3.26Å; I13-C15 VanDerWaalsContact C-N 3.31Å; I13-C15 PolarHBondContact O-N 3.47Å; C15-H17 VanDerWaalsContact C-N 3.29Å; C15-H17 PolarHBondContact O-N 2.93Å; C15-G18 PolarHBondContact O-N 2.87Å; C15-L129 HydrophobicContact CB-CD2 3.94Å; C15-E133 HydrophobicContact CB-CB 3.77Å; C15-E133 HydrophobicContact CB-CG 4.12Å
16A91.4Very high90.1Very high64 Ų6433.6 Ų33.653%0.52920%0.195SC..Hα-helixtrans-63.5-36.2171.900000111.6K12 I13 G18K12-A16 WeakPolarHBondContact O-CB 3.27Å; K12-A16 PolarHBondContact O-N 2.87Å; I13-A16 PolarHBondContact O-N 2.9Å; A16-G18 VanDerWaalsContact C-N 3.25Å; A16-G18 PolarHBondContact O-N 3.39Å
17H91.4Very high90.3Very high103 Ų10332.7 Ų32.748%0.47719%0.189SC..THydrogen-bonded Turntrans-88.230.5176.2-69.2-118.2000113.1I13 L14 C15 G19 M21I13-H17 PolarHBondContact O-CD2 2.79Å; I13-H17 VanDerWaalsContact O-CD2 3.3Å; I13-H17 PolarHBondContact O-N 3.33Å; L14-H17 CarbonylContact O-C 3.24Å; L14-H17 PolarHBondContact O-N 2.87Å; C15-H17 VanDerWaalsContact C-N 3.29Å; C15-H17 PolarHBondContact O-N 2.93Å; H17-G19 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 3.38Å; H17-M21 HydrophobicContact CB-SD 3.96Å; H17-M21 PolarHBondContact ND1-SD 2.8Å; H17-M21 VanDerWaalsContact ND1-SD 3.37Å
18G89.1Confident90.4Very high36 Ų3640.6 Ų40.637%0.37123%0.225SC..THydrogen-bonded Turntrans76.116.2172.800000115.4C15 A16 V136 N214C15-G18 PolarHBondContact O-N 2.87Å; A16-G18 VanDerWaalsContact C-N 3.25Å; A16-G18 PolarHBondContact O-N 3.39Å; G18-V136 VanDerWaalsContact C-CG1 3.44Å; G18-N214 PolarHBondContact O-ND2 2.87Å; G18-N214 VanDerWaalsContact O-ND2 3.11Å
19G91.6Very high90.3Very high0 Ų044.7 Ų44.70%024%0.242CC..THydrogen-bonded Turntrans93.50.6171.800000115.2L14 H17 V65 A66 Q140L14-G19 CarbonylContact O-C 3.56Å; L14-G19 WeakPolarHBondContact O-CA 3.39Å; L14-G19 PolarHBondContact O-N 3Å; H17-G19 VanDerWaalsContact C-N 3.34Å; H17-G19 PolarHBondContact O-N 3.38Å; G19-V65 WeakPolarHBondContact O-CA 3.46Å; G19-A66 PolarHBondContact O-N 2.83Å; G19-Q140 PolarHBondContact O-NE2 2.84Å
20R93.3Very high90Very high66 Ų6642.1 Ų42.125%0.24923%0.231CC..EExtended strand (participates in β ladder)trans-143.1142.8179.5176.5-175-55.2-120-5.5109.6V64 V65 Q213 N214 D217R20-V64 WeakPolarHBondContact CA-O 3.37Å; R20-V65 HydrophobicContact CB-CG2 4.16Å; R20-V65 HydrophobicContact CG-CG2 3.96Å; R20-Q213 PolarHBondContact NH2-O 2.92Å; R20-N214 VanDerWaalsContact CZ-OD1 3.24Å; R20-N214 PolarHBondContact NE-OD1 3.25Å; R20-N214 PolarHBondContact NH2-OD1 2.89Å; R20-D217 IonicContact CZ-OD2 2.78Å; R20-D217 IonicContact NH1-OD2 2.72Å; R20-D217 PolarHBondContact NH1-OD2 2.88Å; R20-D217 IonicContact NH2-OD2 3.16Å; R20-D217 PolarHBondContact NH2-OD2 2.87Å
21M92.6Very high89.4Confident18 Ų1846.7 Ų46.79%0.08927%0.269CS..EExtended strand (participates in β ladder)trans-146.5158.5163.8-158.115076.900111.6I13 L14 H17 A25 L26 E29 S63 V64I13-M21 HydrophobicContact CG2-CE 3.47Å; I13-M21 VanDerWaalsContact CG2-CE 3.47Å; I13-M21 HydrophobicContact CG2-SD 4.49Å; L14-M21 HydrophobicContact CD2-CB 3.68Å; H17-M21 HydrophobicContact CB-SD 3.96Å; H17-M21 PolarHBondContact ND1-SD 2.8Å; H17-M21 VanDerWaalsContact ND1-SD 3.37Å; M21-A25 HydrophobicContact CE-CB 4.38Å; M21-A25 HydrophobicContact CG-CB 4.02Å; M21-A25 HydrophobicContact SD-CB 4.31Å; M21-L26 HydrophobicContact CE-CB 4.01Å; M21-L26 HydrophobicContact CE-CD1 3.8Å; M21-E29 HydrophobicContact CE-CG 4.25Å; M21-S63 CarbonylContact O-C 3.58Å; M21-S63 WeakPolarHBondContact O-CA 3.22Å; M21-V64 PolarHBondContact N-O 2.95Å; M21-V64 PolarHBondContact O-N 3.19Å
22A91.4Very high88.9Confident39 Ų3949.2 Ų49.232%0.32228%0.282SS..EExtended strand (participates in β ladder)trans-64.7150.4167.100000110.1D24 A25 L26 R62A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 2.84Å; A22-A25 HydrophobicContact CB-CB 4.48Å; A22-L26 WeakPolarHBondContact O-CB 3.48Å; A22-L26 PolarHBondContact O-N 2.91Å; A22-L26 VanDerWaalsContact O-N 3.11Å; A22-R62 WeakPolarHBondContact CA-O 3.49Å
23L89.5Confident88.5Confident2 Ų248.4 Ų48.41%0.0129%0.286CS..Hα-helixtrans-65.6-36.3179.2-174.765.1000111.5L26 L27 E34 L37 L41 R62 V64L23-L26 CarbonylContact O-C 3.34Å; L23-L26 WeakPolarHBondContact O-CA 3.33Å; L23-L26 WeakPolarHBondContact O-CB 3.29Å; L23-L26 PolarHBondContact O-N 3.35Å; L23-L26 VanDerWaalsContact O-N 3.12Å; L23-L27 HydrophobicContact CG-CD1 4.43Å; L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 2.83Å; L23-E34 HydrophobicContact CD2-CG 4.37Å; L23-L37 HydrophobicContact CD1-CD2 3.64Å; L23-L37 HydrophobicContact CD1-CG 4.27Å; L23-L41 HydrophobicContact CD1-CD1 4.03Å; L23-R62 HydrophobicContact CB-CB 3.58Å; L23-R62 HydrophobicContact CD2-CB 3.81Å; L23-R62 VanDerWaalsContact CD2-CD 3.47Å; L23-R62 HydrophobicContact CD2-CG 4.27Å; L23-R62 HydrophobicContact CG-CB 4.35Å; L23-R62 PolarHBondContact N-O 2.98Å; L23-V64 HydrophobicContact CD1-CG2 3.91Å
24D87.1Confident88.2Confident97 Ų9751.6 Ų51.652%0.51930%0.3SS..Hα-helixtrans-66.1-49-176.4-41.3-65.2000110.7A22 L26 L27 E28A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 2.84Å; D24-L26 PolarHBondContact O-N 3.01Å; D24-L27 WeakPolarHBondContact O-CB 3.21Å; D24-L27 PolarHBondContact O-N 3.19Å; D24-E28 PolarHBondContact O-N 2.81Å; D24-E28 VanDerWaalsContact O-N 3.11Å
25A89.1Confident87.8Confident33 Ų3356.1 Ų56.127%0.27333%0.329SS..Hα-helixtrans-62.6-28.6171.600000113M21 A22 L27 E29M21-A25 HydrophobicContact CE-CB 4.38Å; M21-A25 HydrophobicContact CG-CB 4.02Å; M21-A25 HydrophobicContact SD-CB 4.31Å; A22-A25 HydrophobicContact CB-CB 4.48Å; A25-L27 VanDerWaalsContact C-N 3.3Å; A25-E29 PolarHBondContact O-N 2.71Å
26L89.4Confident87.5Confident0 Ų060.4 Ų60.40%035%0.349CS..Hα-helixtrans-74.5-20.8174.5-170.566.4000112.2I10 I13 L14 M21 A22 L23 D24 I30 L37 V64I10-L26 HydrophobicContact CG2-CD2 4.39Å; I13-L26 HydrophobicContact CG2-CD1 3.99Å; L14-L26 HydrophobicContact CD2-CD1 4.17Å; L14-L26 HydrophobicContact CD2-CD2 4.32Å; L14-L26 HydrophobicContact CG-CD1 4.36Å; M21-L26 HydrophobicContact CE-CB 4.01Å; M21-L26 HydrophobicContact CE-CD1 3.8Å; A22-L26 WeakPolarHBondContact O-CB 3.48Å; A22-L26 PolarHBondContact O-N 2.91Å; A22-L26 VanDerWaalsContact O-N 3.11Å; L23-L26 CarbonylContact O-C 3.34Å; L23-L26 WeakPolarHBondContact O-CA 3.33Å; L23-L26 WeakPolarHBondContact O-CB 3.29Å; L23-L26 PolarHBondContact O-N 3.35Å; L23-L26 VanDerWaalsContact O-N 3.12Å; D24-L26 PolarHBondContact O-N 3.01Å; L26-I30 HydrophobicContact CD1-CD1 3.56Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 3.94Å; L26-I30 VanDerWaalsContact O-CB 3.26Å; L26-I30 WeakPolarHBondContact O-CB 3.42Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L26-L37 HydrophobicContact CB-CD2 4.33Å; L26-L37 HydrophobicContact CD2-CD1 4.48Å; L26-L37 HydrophobicContact CD2-CD2 4.04Å; L26-L37 HydrophobicContact CG-CD2 3.96Å; L26-V64 HydrophobicContact CD2-CB 4.05Å; L26-V64 HydrophobicContact CD2-CG1 4.39Å; L26-V64 HydrophobicContact CD2-CG2 3.8Å
27L88.9Confident87.3Confident33 Ų3357.4 Ų57.417%0.17332%0.324CS..Hα-helixtrans-80.3-40.9171.5-70163.6000111.5L23 D24 A25 E29 I30 A31 L32 E34 L37L23-L27 HydrophobicContact CG-CD1 4.43Å; L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 2.83Å; D24-L27 WeakPolarHBondContact O-CB 3.21Å; D24-L27 PolarHBondContact O-N 3.19Å; A25-L27 VanDerWaalsContact C-N 3.3Å; L27-E29 PolarHBondContact O-N 3.25Å; L27-I30 PolarHBondContact O-N 3.3Å; L27-A31 PolarHBondContact O-N 2.87Å; L27-L32 WeakPolarHBondContact CD2-O 3.45Å; L27-E34 HydrophobicContact CD1-CB 3.9Å; L27-E34 HydrophobicContact CD1-CG 4.13Å; L27-E34 HydrophobicContact CD2-CB 4.43Å; L27-L37 HydrophobicContact CD2-CB 3.81Å; L27-L37 HydrophobicContact CD2-CD2 3.47Å; L27-L37 VanDerWaalsContact CD2-CD2 3.47Å; L27-L37 HydrophobicContact CD2-CG 4.29Å; L27-L37 HydrophobicContact CG-CD2 3.79Å
28E86Confident87Confident167 Ų16754.6 Ų54.678%0.7832%0.315SS*.Hα-helixtrans-56.8-45.3175.5-68-177.9154.600112.1D24D24-E28 PolarHBondContact O-N 2.81Å; D24-E28 VanDerWaalsContact O-N 3.11Å
29E84.9Confident86.9Confident112 Ų11256.1 Ų56.152%0.52331%0.313SS..THydrogen-bonded Turntrans-72.8-23.9178.9-75.6-70.5153.800114.5I13 M21 A25 L27I13-E29 HydrophobicContact CD1-CB 4.19Å; I13-E29 HydrophobicContact CG2-CB 4.42Å; I13-E29 HydrophobicContact CG2-CG 4.5Å; M21-E29 HydrophobicContact CE-CG 4.25Å; A25-E29 PolarHBondContact O-N 2.71Å; L27-E29 PolarHBondContact O-N 3.25Å
30I81.6Confident86.7Confident19 Ų1956.5 Ų56.510%0.09732%0.315CS..THydrogen-bonded Turntrans-108-15.4-167.4-63.8-170.4000113.5F9 I10 I13 L26 L27 L32 L37F9-I30 HydrophobicContact CD1-CD1 4.5Å; F9-I30 HydrophobicContact CD1-CG1 4.38Å; F9-I30 HydrophobicContact CE1-CG1 4.01Å; I10-I30 HydrophobicContact CB-CD1 4.38Å; I10-I30 HydrophobicContact CG1-CD1 3.6Å; I13-I30 HydrophobicContact CD1-CD1 3.77Å; I13-I30 HydrophobicContact CD1-CG1 3.52Å; L26-I30 HydrophobicContact CD1-CD1 3.56Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 3.94Å; L26-I30 VanDerWaalsContact O-CB 3.26Å; L26-I30 WeakPolarHBondContact O-CB 3.42Å; L26-I30 WeakPolarHBondContact O-CG1 3.36Å; L27-I30 PolarHBondContact O-N 3.3Å; I30-L32 HydrophobicContact CG2-CB 4.16Å; I30-L32 HydrophobicContact CG2-CD1 3.73Å; I30-L32 HydrophobicContact CG2-CG 3.83Å; I30-L32 PolarHBondContact O-N 2.94Å; I30-L32 VanDerWaalsContact O-N 3.07Å; I30-L37 HydrophobicContact CD1-CD1 4.5Å
31A78.6Confident86.5Confident96 Ų9653.7 Ų53.779%0.79331%0.305SS*.  trans54.824.7177.700000114.9L27L27-A31 PolarHBondContact O-N 2.87Å
32L80.8Confident86.2Confident58 Ų5860.4 Ų60.430%0.30434%0.336SS..  trans-98.6157.9168.2-70.8177.3000110L27 I30 Q36L27-L32 WeakPolarHBondContact CD2-O 3.45Å; I30-L32 HydrophobicContact CG2-CB 4.16Å; I30-L32 HydrophobicContact CG2-CD1 3.73Å; I30-L32 HydrophobicContact CG2-CG 3.83Å; I30-L32 PolarHBondContact O-N 2.94Å; I30-L32 VanDerWaalsContact O-N 3.07Å; L32-Q36 HydrophobicContact CB-CB 4.45Å
33S84.9Confident86.1Confident55 Ų5563 Ų6339%0.38535%0.348SS..  trans-74.1151.5170.365.20000111.8Q36 L37S33-Q36 VanDerWaalsContact N-OE1 3.14Å; S33-Q36 WeakPolarHBondContact O-CB 3.22Å; S33-Q36 PolarHBondContact O-N 3.09Å; S33-Q36 WeakPolarHBondContact OG-CG 3.14Å; S33-Q36 PolarHBondContact OG-OE1 3.33Å; S33-L37 PolarHBondContact O-N 2.88Å
34E85.8Confident85.9Confident83 Ų8363.8 Ų63.839%0.38836%0.355SS..Hα-helixtrans-46.7-49.8176.7-171-173.2179.400113.8L23 L27 Q36 L37 C38 R62L23-E34 HydrophobicContact CD2-CG 4.37Å; L27-E34 HydrophobicContact CD1-CB 3.9Å; L27-E34 HydrophobicContact CD1-CG 4.13Å; L27-E34 HydrophobicContact CD2-CB 4.43Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; E34-Q36 PolarHBondContact O-N 2.7Å; E34-L37 PolarHBondContact O-N 3.07Å; E34-C38 WeakPolarHBondContact O-CB 3.37Å; E34-C38 PolarHBondContact O-N 3.04Å; E34-C38 PolarHBondContact O-SG 3.46Å; E34-R62 IonicContact OE1-CZ 3.67Å; E34-R62 IonicContact OE1-NH1 2.66Å; E34-R62 PolarHBondContact OE1-NH1 2.82Å
35P84.4Confident85.9Confident94 Ų9459.8 Ų59.861%0.6134%0.336SS*.Hα-helixtrans-63.2-35.9179.623.3-34.5000113.2C38 E39P35-C38 PolarHBondContact O-N 2.96Å; P35-E39 WeakPolarHBondContact O-CB 3.22Å; P35-E39 PolarHBondContact O-N 2.86Å
36Q85.5Confident85.8Confident94 Ų9460.9 Ų60.944%0.43934%0.341SS..Hα-helixtrans-68.3-43.3176.8-70.9168.4-44.500111.5L32 S33 E34 E39 V40L32-Q36 HydrophobicContact CB-CB 4.45Å; S33-Q36 VanDerWaalsContact N-OE1 3.14Å; S33-Q36 WeakPolarHBondContact O-CB 3.22Å; S33-Q36 PolarHBondContact O-N 3.09Å; S33-Q36 WeakPolarHBondContact OG-CG 3.14Å; S33-Q36 PolarHBondContact OG-OE1 3.33Å; E34-Q36 VanDerWaalsContact C-N 3.33Å; E34-Q36 PolarHBondContact O-N 2.7Å; Q36-E39 PolarHBondContact O-N 2.72Å; Q36-V40 WeakPolarHBondContact O-CG2 3.17Å; Q36-V40 PolarHBondContact O-N 2.67Å
37L87Confident85.7Confident0 Ų062.9 Ų62.90%035%0.351CS..Hα-helixtrans-63.9-43.6175.6-17859.7000110.8I10 L23 L26 L27 I30 S33 E34 E39 V40 L41I10-L37 HydrophobicContact CD1-CD1 3.86Å; I10-L37 HydrophobicContact CG1-CD1 4.27Å; L23-L37 HydrophobicContact CD1-CD2 3.64Å; L23-L37 HydrophobicContact CD1-CG 4.27Å; L26-L37 HydrophobicContact CB-CD2 4.33Å; L26-L37 HydrophobicContact CD2-CD1 4.48Å; L26-L37 HydrophobicContact CD2-CD2 4.04Å; L26-L37 HydrophobicContact CG-CD2 3.96Å; L27-L37 HydrophobicContact CD2-CB 3.81Å; L27-L37 HydrophobicContact CD2-CD2 3.47Å; L27-L37 VanDerWaalsContact CD2-CD2 3.47Å; L27-L37 HydrophobicContact CD2-CG 4.29Å; L27-L37 HydrophobicContact CG-CD2 3.79Å; I30-L37 HydrophobicContact CD1-CD1 4.5Å; S33-L37 PolarHBondContact O-N 2.88Å; E34-L37 PolarHBondContact O-N 3.07Å; L37-E39 PolarHBondContact O-N 2.85Å; L37-V40 PolarHBondContact O-N 2.86Å; L37-L41 HydrophobicContact CD1-CD1 4.28Å; L37-L41 HydrophobicContact CD1-CG 4.2Å; L37-L41 HydrophobicContact CG-CD1 3.96Å; L37-L41 HydrophobicContact CG-CG 4.34Å; L37-L41 WeakPolarHBondContact O-CB 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.05Å
38C85.6Confident85.7Confident44 Ų4463.4 Ų63.430%0.29735%0.351SS..Hα-helixtrans-60.8-41.5176.1-70.50000112.5E34 P35 L41 Q42E34-C38 WeakPolarHBondContact O-CB 3.37Å; E34-C38 PolarHBondContact O-N 3.04Å; E34-C38 PolarHBondContact O-SG 3.46Å; P35-C38 PolarHBondContact O-N 2.96Å; C38-L41 PolarHBondContact O-N 3.43Å; C38-Q42 VanDerWaalsContact O-CB 3.26Å; C38-Q42 WeakPolarHBondContact O-CB 3.45Å; C38-Q42 PolarHBondContact O-N 3.42Å
39E86.6Confident86.1Confident68 Ų6855.6 Ų55.632%0.31832%0.315SS..Hα-helixtrans-60.3-49174-169.3-163.3150.300111.2M1 P35 Q36 L37 L41 Q42 V43M1-E39 WeakPolarHBondContact CB-OE1 3.43Å; M1-E39 WeakPolarHBondContact CE-OE2 3.11Å; P35-E39 WeakPolarHBondContact O-CB 3.22Å; P35-E39 PolarHBondContact O-N 2.86Å; Q36-E39 PolarHBondContact O-N 2.72Å; L37-E39 PolarHBondContact O-N 2.85Å; E39-L41 PolarHBondContact O-N 3.34Å; E39-Q42 PolarHBondContact O-N 2.89Å; E39-V43 HydrophobicContact CG-CG2 4.36Å; E39-V43 WeakPolarHBondContact O-CB 3.26Å; E39-V43 VanDerWaalsContact O-CG2 3.32Å; E39-V43 WeakPolarHBondContact O-CG2 3.41Å; E39-V43 PolarHBondContact O-N 2.82Å
40V88.1Confident86.4Confident9 Ų950.3 Ų50.36%0.05529%0.29CS..Hα-helixtrans-60.3-45.3179173.70000111.2A2 V6 I10 Q36 L37 Q42 V43 A44A2-V40 HydrophobicContact CB-CG1 4.49Å; V6-V40 HydrophobicContact CG1-CG1 4.13Å; I10-V40 HydrophobicContact CD1-CB 4.42Å; I10-V40 HydrophobicContact CD1-CG1 3.53Å; Q36-V40 WeakPolarHBondContact O-CG2 3.17Å; Q36-V40 PolarHBondContact O-N 2.67Å; L37-V40 PolarHBondContact O-N 2.86Å; V40-Q42 PolarHBondContact O-N 2.98Å; V40-V43 PolarHBondContact O-N 2.96Å; V40-A44 WeakPolarHBondContact O-CB 3.12Å; V40-A44 PolarHBondContact O-N 3.36Å
41L88.8Confident86.9Confident6 Ų652.6 Ų52.63%0.03131%0.305CS..Hα-helixtrans-62.4-41.7177-67.6172.5000111.6I10 L23 L37 C38 E39 G45 F49 V51 V64I10-L41 HydrophobicContact CG2-CD2 4.09Å; L23-L41 HydrophobicContact CD1-CD1 4.03Å; L37-L41 HydrophobicContact CD1-CD1 4.28Å; L37-L41 HydrophobicContact CD1-CG 4.2Å; L37-L41 HydrophobicContact CG-CD1 3.96Å; L37-L41 HydrophobicContact CG-CG 4.34Å; L37-L41 WeakPolarHBondContact O-CB 3.29Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 3.05Å; C38-L41 PolarHBondContact O-N 3.43Å; E39-L41 PolarHBondContact O-N 3.34Å; L41-G45 PolarHBondContact O-N 2.84Å; L41-F49 HydrophobicContact CD2-CB 3.7Å; L41-F49 HydrophobicContact CD2-CD1 4.28Å; L41-F49 HydrophobicContact CD2-CD2 3.54Å; L41-F49 HydrophobicContact CD2-CE2 4.22Å; L41-F49 HydrophobicContact CD2-CG 3.57Å; L41-V51 HydrophobicContact CB-CG2 4.33Å; L41-V51 HydrophobicContact CD1-CG2 4.16Å; L41-V64 HydrophobicContact CD1-CG1 4.43Å; L41-V64 HydrophobicContact CD1-CG2 3.9Å; L41-V64 HydrophobicContact CD2-CG1 3.89Å
42Q87.2Confident87.4Confident160 Ų16049.4 Ų49.475%0.74827%0.274SS*.Hα-helixtrans-67.7-42.8179.4-171176.826.400112.3C38 E39 V40 G45C38-Q42 VanDerWaalsContact O-CB 3.26Å; C38-Q42 WeakPolarHBondContact O-CB 3.45Å; C38-Q42 PolarHBondContact O-N 3.42Å; E39-Q42 PolarHBondContact O-N 2.89Å; V40-Q42 PolarHBondContact O-N 2.98Å; Q42-G45 PolarHBondContact O-N 2.77Å
43V87.9Confident87.6Confident92 Ų9252.2 Ų52.256%0.55829%0.286SS*.Hα-helixtrans-72-36179174.80000111.7A2 E39 V40 G45A2-V43 HydrophobicContact CB-CB 3.85Å; A2-V43 HydrophobicContact CB-CG1 3.5Å; A2-V43 VanDerWaalsContact CB-CG1 3.5Å; E39-V43 HydrophobicContact CG-CG2 4.36Å; E39-V43 WeakPolarHBondContact O-CB 3.26Å; E39-V43 VanDerWaalsContact O-CG2 3.32Å; E39-V43 WeakPolarHBondContact O-CG2 3.41Å; E39-V43 PolarHBondContact O-N 2.82Å; V40-V43 PolarHBondContact O-N 2.96Å; V43-G45 VanDerWaalsContact C-N 3.29Å
44A85.8Confident87.2Confident19 Ų1953.4 Ų53.416%0.15729%0.291CS..Hα-helixtrans-67.9-29.817200000112.7V40 R48 F49V40-A44 WeakPolarHBondContact O-CB 3.12Å; V40-A44 PolarHBondContact O-N 3.36Å; A44-R48 HydrophobicContact CB-CB 4.43Å; A44-R48 WeakPolarHBondContact O-CD 3.46Å; A44-F49 HydrophobicContact CB-CD2 3.62Å; A44-F49 HydrophobicContact CB-CE2 3.59Å
45G87.3Confident86.4Confident13 Ų1354.3 Ų54.313%0.13431%0.306CS..  trans79.9166.3166.200000115.8L41 Q42 V43 D47 R48 F49L41-G45 PolarHBondContact O-N 2.84Å; Q42-G45 PolarHBondContact O-N 2.77Å; V43-G45 VanDerWaalsContact C-N 3.29Å; G45-D47 PolarHBondContact O-N 2.87Å; G45-R48 PolarHBondContact O-N 3.47Å; G45-F49 PolarHBondContact O-N 3.36Å
46P87.1Confident85.5Confident57 Ų5752 Ų5237%0.3730%0.3SS..THydrogen-bonded Turntrans-75.51.6-166.932.8-39.1000115.3F49 V50P46-F49 WeakPolarHBondContact CA-O 3.47Å; P46-V50 WeakPolarHBondContact O-CG2 3.29Å
47D87Confident84.1Confident41 Ų4157.8 Ų57.822%0.21933%0.327CS..THydrogen-bonded Turntrans-87.8-13.9166.6-97.6-38.4000113G45 T67 R69 K222G45-D47 PolarHBondContact O-N 2.87Å; D47-T67 CarbonylContact O-C 3.54Å; D47-T67 WeakPolarHBondContact O-CG2 3.43Å; D47-T67 PolarHBondContact O-OG1 2.8Å; D47-R69 HydrophobicContact CB-CG 4.01Å; D47-R69 IonicContact OD2-CZ 3.2Å; D47-R69 IonicContact OD2-NE 2.78Å; D47-R69 PolarHBondContact OD2-NE 3.38Å; D47-R69 IonicContact OD2-NH2 2.75Å; D47-R69 PolarHBondContact OD2-NH2 2.98Å; D47-K222 VanDerWaalsContact OD1-CE 3.29Å; D47-K222 WeakPolarHBondContact OD1-CE 3.44Å; D47-K222 IonicContact OD1-NZ 3.05Å; D47-K222 PolarHBondContact OD1-NZ 3.25Å
48R89Confident82.6Confident44 Ų4463 Ų6317%0.16637%0.37CS..THydrogen-bonded Turntrans-106.6-48173-65.2-175.973.2166.112.1112.7C7 A44 G45 T67 E125C7-R48 VanDerWaalsContact CB-NH2 3.27Å; A44-R48 HydrophobicContact CB-CB 4.43Å; A44-R48 WeakPolarHBondContact O-CD 3.46Å; G45-R48 PolarHBondContact O-N 3.47Å; R48-T67 WeakPolarHBondContact CA-O 3.43Å; R48-T67 WeakPolarHBondContact O-CG2 3.26Å; R48-T67 PolarHBondContact O-N 2.82Å; R48-T67 VanDerWaalsContact O-O 3.1Å; R48-E125 IonicContact CZ-OE1 2.82Å; R48-E125 IonicContact CZ-OE2 2.74Å; R48-E125 IonicContact NH1-OE1 3.28Å; R48-E125 PolarHBondContact NH1-OE1 3.25Å; R48-E125 VanDerWaalsContact NH1-OE1 3.1Å; R48-E125 IonicContact NH1-OE2 2.68Å; R48-E125 PolarHBondContact NH1-OE2 2.91Å; R48-E125 IonicContact NH2-OE2 3.78Å; R48-E125 PolarHBondContact NH2-OE2 3.31Å
49F93.7Very high81.9Confident4 Ų462.6 Ų62.62%0.01837%0.373CS..EExtended strand (participates in β ladder)trans-132.2114.6-179.6-52.3-60.3000110.7C7 I10 T11 L14 L41 A44 G45 P46 V64C7-F49 HydrophobicContact CB-CE2 4.44Å; I10-F49 HydrophobicContact CB-CE1 4.22Å; I10-F49 HydrophobicContact CB-CZ 3.87Å; I10-F49 HydrophobicContact CG2-CD1 4.11Å; I10-F49 HydrophobicContact CG2-CE1 3.57Å; I10-F49 HydrophobicContact CG2-CE2 4.21Å; I10-F49 HydrophobicContact CG2-CZ 3.62Å; T11-F49 WeakPolarHBondContact OG1-CE1 3.22Å; T11-F49 WeakPolarHBondContact OG1-CZ 3.44Å; L14-F49 HydrophobicContact CD1-CD1 3.75Å; L14-F49 HydrophobicContact CD1-CE1 3.97Å; L41-F49 HydrophobicContact CD2-CB 3.7Å; L41-F49 HydrophobicContact CD2-CD1 4.28Å; L41-F49 HydrophobicContact CD2-CD2 3.54Å; L41-F49 HydrophobicContact CD2-CE2 4.22Å; L41-F49 HydrophobicContact CD2-CG 3.57Å; A44-F49 HydrophobicContact CB-CD2 3.62Å; A44-F49 HydrophobicContact CB-CE2 3.59Å; G45-F49 PolarHBondContact O-N 3.36Å; P46-F49 WeakPolarHBondContact CA-O 3.47Å; F49-V64 HydrophobicContact CB-CG1 3.95Å; F49-V64 HydrophobicContact CD1-CG1 4.45Å; F49-V64 HydrophobicContact CG-CG1 4.48Å
50V92.3Very high81.5Confident1 Ų165 Ų651%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-89.4106.4171.2172.70000107.6P46 L52 V65 T67 I218P46-V50 WeakPolarHBondContact O-CG2 3.29Å; V50-L52 HydrophobicContact CG1-CD2 3.59Å; V50-L52 HydrophobicContact CG1-CG 4.02Å; V50-V65 HydrophobicContact CB-CB 4.42Å; V50-V65 PolarHBondContact N-O 3.11Å; V50-V65 PolarHBondContact O-N 3.33Å; V50-T67 HydrophobicContact CG2-CG2 3.77Å; V50-I218 HydrophobicContact CG2-CG1 4.46Å
51V91.4Very high81Confident66 Ų6668.2 Ų68.240%0.441%0.406SS..EExtended strand (participates in β ladder)trans-78.1134.1166.5-173.80000108.4L41 S63 V64L41-V51 HydrophobicContact CB-CG2 4.33Å; L41-V51 HydrophobicContact CD1-CG2 4.16Å; V51-S63 CarbonylContact C-O 3.58Å; V51-S63 WeakPolarHBondContact CA-O 3.21Å; V51-V64 HydrophobicContact CG2-CG2 4.48Å
52L88.7Confident81Confident30 Ų3072.1 Ų72.116%0.15742%0.421CS..EExtended strand (participates in β ladder)trans-123.4134.9179.4-58.7171.8000108.3V50 R62 S63 V65 D217V50-L52 HydrophobicContact CG1-CD2 3.59Å; V50-L52 HydrophobicContact CG1-CG 4.02Å; L52-R62 WeakPolarHBondContact O-CA 3.44Å; L52-S63 PolarHBondContact N-O 3.25Å; L52-S63 PolarHBondContact O-N 2.99Å; L52-V65 HydrophobicContact CD1-CG2 3.7Å; L52-D217 HydrophobicContact CD1-CB 3.64Å; L52-D217 HydrophobicContact CD2-CB 4.11Å
53E86.5Confident81.2Confident117 Ų11765.5 Ų65.555%0.54739%0.392SS..EExtended strand (participates in β ladder)trans-110.4120171.4-57.6-162.8127.700108.5I60 R62E53-I60 HydrophobicContact CB-CG2 4.04Å; E53-R62 HydrophobicContact CG-CG 4.28Å; E53-R62 IonicContact OE1-CZ 2.8Å; E53-R62 VanDerWaalsContact OE1-CZ 3.28Å; E53-R62 IonicContact OE1-NE 2.77Å; E53-R62 PolarHBondContact OE1-NE 3.5Å; E53-R62 IonicContact OE1-NH2 3.98Å; E53-R62 PolarHBondContact OE1-NH2 3.37Å
54T75.5Confident81.5Confident79 Ų7961.1 Ų61.149%0.48537%0.366SS..EExtended strand (participates in β ladder)trans-115.3106.1179.8-51.30000108.7G56 T61T54-G56 PolarHBondContact O-N 2.9Å; T54-T61 PolarHBondContact N-O 2.89Å; T54-T61 PolarHBondContact O-N 2.87Å; T54-T61 PolarHBondContact O-OG1 2.78Å
55S69.4Low81.9Confident103 Ų10360.2 Ų60.272%0.7236%0.358SS*.EExtended strand (participates in β ladder)trans-76.5105.7174.655.70000110.2
56G65.6Low82.3Confident46 Ų4659.6 Ų59.647%0.47435%0.352SS..EExtended strand (participates in β ladder)trans-103.7176.1168.800000111.7T54 A58 G59T54-G56 PolarHBondContact O-N 2.9Å; G56-A58 PolarHBondContact O-N 2.96Å; G56-G59 PolarHBondContact N-O 2.84Å; G56-G59 PolarHBondContact O-N 2.99Å
57E56.1Low82.6Confident215 Ų21557.1 Ų57.1100%1.00534%0.336SS*.THydrogen-bonded Turntrans-63.4-23.6177.4-62.1178.4148.500112.7
58A55.2Low82.9Confident110 Ų11055.4 Ų55.491%0.90933%0.327SS*.THydrogen-bonded Turntrans-88.83.1174.500000114.6G56G56-A58 PolarHBondContact O-N 2.96Å
59G71.4Confident83Confident34 Ų3461 Ų6135%0.35135%0.348SS..EExtended strand (participates in β ladder)trans122.1-168.6177.700000115G56 T61G56-G59 PolarHBondContact N-O 2.84Å; G56-G59 PolarHBondContact O-N 2.99Å; G59-T61 PolarHBondContact O-N 2.96Å
60I77.1Confident82.9Confident120 Ų12060.9 Ų60.962%0.61535%0.347SS*.EExtended strand (participates in β ladder)trans-87.2108.1178.1-56.9174.9000108.6E53E53-I60 HydrophobicContact CB-CG2 4.04Å
61T78.8Confident82.9Confident76 Ų7663.3 Ų63.347%0.46636%0.356SS..EExtended strand (participates in β ladder)trans-91.1132.2172.456.40000110.1T54 G59T54-T61 PolarHBondContact N-O 2.89Å; T54-T61 PolarHBondContact O-N 2.87Å; T54-T61 PolarHBondContact O-OG1 2.78Å; G59-T61 PolarHBondContact O-N 2.96Å
62R88.6Confident83Confident87 Ų8760.3 Ų60.333%0.32834%0.338SS..EExtended strand (participates in β ladder)trans-100.5137.4176.9-71.7-176.7169145.22.9110.3A22 L23 E34 L52 E53A22-R62 WeakPolarHBondContact CA-O 3.49Å; L23-R62 HydrophobicContact CB-CB 3.58Å; L23-R62 HydrophobicContact CD2-CB 3.81Å; L23-R62 VanDerWaalsContact CD2-CD 3.47Å; L23-R62 HydrophobicContact CD2-CG 4.27Å; L23-R62 HydrophobicContact CG-CB 4.35Å; L23-R62 PolarHBondContact N-O 2.98Å; E34-R62 IonicContact OE1-CZ 3.67Å; E34-R62 IonicContact OE1-NH1 2.66Å; E34-R62 PolarHBondContact OE1-NH1 2.82Å; L52-R62 WeakPolarHBondContact O-CA 3.44Å; E53-R62 HydrophobicContact CG-CG 4.28Å; E53-R62 IonicContact OE1-CZ 2.8Å; E53-R62 VanDerWaalsContact OE1-CZ 3.28Å; E53-R62 IonicContact OE1-NE 2.77Å; E53-R62 PolarHBondContact OE1-NE 3.5Å; E53-R62 IonicContact OE1-NH2 3.98Å; E53-R62 PolarHBondContact OE1-NH2 3.37Å
63S91.4Very high83.2Confident22 Ų2259.7 Ų59.715%0.15434%0.336CS..EExtended strand (participates in β ladder)trans-134.9145.2175.4-73.80000110.8M21 V51 L52M21-S63 CarbonylContact O-C 3.58Å; M21-S63 WeakPolarHBondContact O-CA 3.22Å; V51-S63 CarbonylContact C-O 3.58Å; V51-S63 WeakPolarHBondContact CA-O 3.21Å; L52-S63 PolarHBondContact N-O 3.25Å; L52-S63 PolarHBondContact O-N 2.99Å
64V93.2Very high83.3Confident0 Ų060.2 Ų60.20%033%0.333CS..EExtended strand (participates in β ladder)trans-116.6126.4179-169.70000109L14 R20 M21 L23 L26 L41 F49 V51L14-V64 HydrophobicContact CD1-CB 4.34Å; L14-V64 HydrophobicContact CD1-CG1 3.72Å; L14-V64 HydrophobicContact CD2-CB 4.24Å; R20-V64 WeakPolarHBondContact CA-O 3.37Å; M21-V64 PolarHBondContact N-O 2.95Å; M21-V64 PolarHBondContact O-N 3.19Å; L23-V64 HydrophobicContact CD1-CG2 3.91Å; L26-V64 HydrophobicContact CD2-CB 4.05Å; L26-V64 HydrophobicContact CD2-CG1 4.39Å; L26-V64 HydrophobicContact CD2-CG2 3.8Å; L41-V64 HydrophobicContact CD1-CG1 4.43Å; L41-V64 HydrophobicContact CD1-CG2 3.9Å; L41-V64 HydrophobicContact CD2-CG1 3.89Å; F49-V64 HydrophobicContact CB-CG1 3.95Å; F49-V64 HydrophobicContact CD1-CG1 4.45Å; F49-V64 HydrophobicContact CG-CG1 4.48Å; V51-V64 HydrophobicContact CG2-CG2 4.48Å
65V94.6Very high83.7Confident0 Ų063.4 Ų63.40%034%0.336CS..EExtended strand (participates in β ladder)trans-114.5127.1177.7-177.90000109.5G19 R20 V50 L52 N214 I218G19-V65 WeakPolarHBondContact O-CA 3.46Å; R20-V65 HydrophobicContact CB-CG2 4.16Å; R20-V65 HydrophobicContact CG-CG2 3.96Å; V50-V65 HydrophobicContact CB-CB 4.42Å; V50-V65 PolarHBondContact N-O 3.11Å; V50-V65 PolarHBondContact O-N 3.33Å; L52-V65 HydrophobicContact CD1-CG2 3.7Å; V65-N214 HydrophobicContact CG1-CB 4.08Å; V65-I218 HydrophobicContact CG1-CD1 3.86Å; V65-I218 HydrophobicContact CG1-CG1 3.86Å
66A94.8Very high84.2Confident0 Ų067 Ų670%034%0.339CS..EExtended strand (participates in β ladder)trans-75.9139.5178.900000111.7L14 G19 L137 Q140L14-A66 HydrophobicContact CB-CB 3.94Å; L14-A66 HydrophobicContact CD1-CB 4.11Å; G19-A66 PolarHBondContact O-N 2.83Å; A66-L137 HydrophobicContact CB-CD1 3.76Å; A66-Q140 PolarHBondContact O-NE2 3.49Å
67T94.1Very high85Confident5 Ų574.3 Ų74.33%0.03135%0.354CS..  trans-139.7159.6174.8148.90000109.3D47 R48 V50 S141 K222D47-T67 CarbonylContact O-C 3.54Å; D47-T67 WeakPolarHBondContact O-CG2 3.43Å; D47-T67 PolarHBondContact O-OG1 2.8Å; R48-T67 WeakPolarHBondContact CA-O 3.43Å; R48-T67 WeakPolarHBondContact O-CG2 3.26Å; R48-T67 PolarHBondContact O-N 2.82Å; R48-T67 VanDerWaalsContact O-O 3.1Å; V50-T67 HydrophobicContact CG2-CG2 3.77Å; T67-S141 WeakPolarHBondContact CA-OG 3.37Å; T67-K222 PolarHBondContact OG1-NZ 3.46Å
68T93.1Very high86.3Confident5 Ų566.3 Ų66.33%0.03132%0.321CS..  trans-133.7162.1167.9-1740000112.4A70 R71 L126 L137 L138 S141T68-A70 HydrophobicContact CG2-CB 3.92Å; T68-A70 PolarHBondContact OG1-N 3.1Å; T68-A70 VanDerWaalsContact OG1-N 3.07Å; T68-R71 PolarHBondContact O-NH1 3.44Å; T68-R71 PolarHBondContact O-NH2 3.07Å; T68-L126 HydrophobicContact CG2-CD1 4.22Å; T68-L137 HydrophobicContact CG2-CD2 4.28Å; T68-L137 HydrophobicContact CG2-CG 4.02Å; T68-L138 HydrophobicContact CG2-CD2 4.2Å; T68-S141 PolarHBondContact N-OG 2.69Å
69R91.3Very high87.6Confident162 Ų16269 Ų6961%0.61132%0.315SS*.SBendtrans-87.3-10.1164.8-69.2-178.8174.91582.5113.2D47 R71D47-R69 HydrophobicContact CB-CG 4.01Å; D47-R69 IonicContact OD2-CZ 3.2Å; D47-R69 IonicContact OD2-NE 2.78Å; D47-R69 PolarHBondContact OD2-NE 3.38Å; D47-R69 IonicContact OD2-NH2 2.75Å; D47-R69 PolarHBondContact OD2-NH2 2.98Å; R69-R71 PolarHBondContact O-NH1 2.96Å
70A91.9Very high88Confident0 Ų077 Ų770%033%0.334CS..  trans-64.5130.8177.400000111.7T68 L85 H124 L126 L138T68-A70 HydrophobicContact CG2-CB 3.92Å; T68-A70 PolarHBondContact OG1-N 3.1Å; T68-A70 VanDerWaalsContact OG1-N 3.07Å; A70-L85 HydrophobicContact CB-CD1 4.35Å; A70-H124 HydrophobicContact CB-CB 4.09Å; A70-H124 VanDerWaalsContact CB-CD2 3.5Å; A70-H124 WeakPolarHBondContact CB-CD2 3.4Å; A70-L126 HydrophobicContact CB-CD1 3.94Å; A70-L138 HydrophobicContact CB-CD2 4.41Å
71R93.1Very high88.1Confident53 Ų5376.1 Ų76.120%0.234%0.336CS..  trans-130.1154.9-176.8-64.7-67.1172.4-80.55.8111.4T68 R69 N84 L85 S141 D142T68-R71 PolarHBondContact O-NH1 3.44Å; T68-R71 PolarHBondContact O-NH2 3.07Å; R69-R71 PolarHBondContact O-NH1 2.96Å; R71-N84 CarbonylContact O-C 3.57Å; R71-N84 WeakPolarHBondContact O-CA 3.4Å; R71-N84 WeakPolarHBondContact O-CB 3.29Å; R71-L85 PolarHBondContact O-N 2.69Å; R71-S141 PolarHBondContact NE-O 2.95Å; R71-S141 PolarHBondContact NH2-O 2.97Å; R71-D142 WeakPolarHBondContact CA-OD2 3.28Å; R71-D142 WeakPolarHBondContact CD-OD1 3.49Å; R71-D142 WeakPolarHBondContact CD-OD2 3.39Å
72V93.3Very high88.5Confident3 Ų373 Ų732%0.01832%0.318CS..BIsolated β-bridgetrans-82.5141.1176.3-173.90000110.1R74 L85 L87 D142 F144 F145V72-R74 WeakPolarHBondContact O-CG 3.49Å; V72-R74 PolarHBondContact O-N 2.76Å; V72-L85 CarbonylContact C-O 3.35Å; V72-L85 WeakPolarHBondContact CA-O 3.11Å; V72-L87 HydrophobicContact CG1-CD1 3.97Å; V72-L87 HydrophobicContact CG1-CG 4.3Å; V72-L87 HydrophobicContact CG2-CD1 3.77Å; V72-L87 HydrophobicContact CG2-CG 4.26Å; V72-D142 PolarHBondContact N-OD2 3.22Å; V72-F144 HydrophobicContact CB-CD1 3.6Å; V72-F144 HydrophobicContact CB-CE1 3.97Å; V72-F144 HydrophobicContact CB-CG 4.35Å; V72-F144 HydrophobicContact CG1-CD1 3.76Å; V72-F144 HydrophobicContact CG1-CE1 3.56Å; V72-F144 HydrophobicContact CG1-CZ 4.46Å; V72-F144 HydrophobicContact CG2-CD1 4.07Å; V72-F145 HydrophobicContact CG2-CE2 3.81Å; V72-F145 HydrophobicContact CG2-CZ 3.63Å
73C92.2Very high88.5Confident17 Ų1772.7 Ų72.712%0.11532%0.323CS..  trans-67.1120.1-175.6-168.90000111.8N84 L85 H86C73-N84 HydrophobicContact CB-CB 3.79Å; C73-L85 WeakPolarHBondContact CB-O 3.43Å; C73-L85 PolarHBondContact N-O 2.93Å; C73-H86 VanDerWaalsContact CB-NE2 3.31Å; C73-H86 WeakPolarHBondContact CB-NE2 3.45Å; C73-H86 PolarHBondContact SG-NE2 3.28Å; C73-H86 VanDerWaalsContact SG-NE2 3.37Å
74R87.9Confident88.6Confident128 Ų12874.2 Ų74.248%0.48333%0.329SS..  trans-94.37.6-177.3-53-175-176.8-175-0.9113.6V72 D142 F144V72-R74 WeakPolarHBondContact O-CG 3.49Å; V72-R74 PolarHBondContact O-N 2.76Å; R74-D142 IonicContact CZ-OD1 2.66Å; R74-D142 IonicContact NH2-OD1 3.84Å; R74-D142 PolarHBondContact NH2-OD1 3.21Å; R74-F144 HydrophobicContact CG-CD2 4.23Å
75R85.6Confident88.5Confident145 Ų14574.2 Ų74.255%0.54733%0.329SS..  trans-82.1127.8179.4-63.8176174.3169.9-3.2110Y77 C78R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 2.91Å; R75-C78 HydrophobicContact CB-CB 4.16Å
76K79.1Confident88.3Confident180 Ų18076.2 Ų76.278%0.78334%0.338SS*.SBendtrans-62.5-33.6176.9-71.5-171.9176.5-175.80113.1
77Y81.4Confident88.2Confident199 Ų19976.6 Ų76.678%0.7834%0.34SS*.SBendtrans-129.8120.5171.1-54.3-75.2000106R75R75-Y77 VanDerWaalsContact C-N 3.26Å; R75-Y77 PolarHBondContact O-N 2.91Å
78C85.2Confident88.1Confident46 Ų4676.6 Ų76.631%0.31134%0.34SS..  trans-113.7117.5-179.8-164.80000109.8R75 C82 H86R75-C78 HydrophobicContact CB-CB 4.16Å; C78-C82 VanDerWaalsContact SG-SG 3.64Å; C78-H86 PolarHBondContact SG-NE2 3.05Å; C78-H86 VanDerWaalsContact SG-NE2 3.43Å
79Q81.2Confident87.9Confident168 Ų16878.5 Ų78.579%0.78535%0.348SS*.PPolyproline II helixtrans-88.1143.5167.8-68.5171.2-15.900108.9
80R79.9Confident87.9Confident200 Ų20074.5 Ų74.576%0.75534%0.338SS*.SBendtrans-75.9147.5172.7-62.7-178.6-178.1172.81.6109E116R80-E116 IonicContact CZ-OE1 3.16Å; R80-E116 VanDerWaalsContact CZ-OE1 3.25Å; R80-E116 IonicContact NE-OE1 2.69Å; R80-E116 PolarHBondContact NE-OE1 3.01Å; R80-E116 VanDerWaalsContact NE-OE1 3.08Å; R80-E116 IonicContact NH2-OE1 2.79Å; R80-E116 PolarHBondContact NH2-OE1 2.93Å
81P80.2Confident87.8Confident102 Ų10275.9 Ų75.966%0.66235%0.346SS*.SBendcis-78151.4-1.332.4-35.2000113.2
82C86.8Confident87.6Confident12 Ų1274.3 Ų74.38%0.08134%0.341CS..  trans-137.9154.8170.2-169.60000110.8C78 R119C78-C82 VanDerWaalsContact SG-SG 3.64Å; C82-R119 PolarHBondContact O-NH2 2.9Å
83D88.8Confident87.3Confident80 Ų8075 Ų7543%0.42835%0.345SS..SBendtrans-109.89-174.7-84.725.5000113V120 K123D83-V120 WeakPolarHBondContact O-CG1 3.39Å; D83-K123 IonicContact OD2-NZ 2.78Å; D83-K123 PolarHBondContact OD2-NZ 3.19Å
84N92Very high87Confident53 Ų5377.2 Ų77.228%0.28337%0.371SS..SBendtrans-117.2156.8-179.7-63.1-94.5000110R71 C73 H86R71-N84 CarbonylContact O-C 3.57Å; R71-N84 WeakPolarHBondContact O-CA 3.4Å; R71-N84 WeakPolarHBondContact O-CB 3.29Å; C73-N84 HydrophobicContact CB-CB 3.79Å; N84-H86 PolarHBondContact O-CE1 2.88Å; N84-H86 PolarHBondContact O-ND1 3.07Å
85L92.3Very high86.9Confident0 Ų076.7 Ų76.70%037%0.369CS..BIsolated β-bridgetrans-71.5139178.7-60.4169.2000111.3A70 R71 V72 C73 L87 N117 V120 L121 L138A70-L85 HydrophobicContact CB-CD1 4.35Å; R71-L85 PolarHBondContact O-N 2.69Å; V72-L85 CarbonylContact C-O 3.35Å; V72-L85 WeakPolarHBondContact CA-O 3.11Å; C73-L85 WeakPolarHBondContact CB-O 3.43Å; C73-L85 PolarHBondContact N-O 2.93Å; L85-L87 HydrophobicContact CB-CD2 4.08Å; L85-L87 HydrophobicContact CB-CG 4.37Å; L85-L87 HydrophobicContact CD1-CD2 4.35Å; L85-N117 WeakPolarHBondContact CA-OD1 3.49Å; L85-N117 HydrophobicContact CD2-CB 3.78Å; L85-V120 HydrophobicContact CD2-CB 3.87Å; L85-V120 HydrophobicContact CD2-CG1 3.77Å; L85-V120 HydrophobicContact CG-CG1 3.99Å; L85-L121 HydrophobicContact CD1-CD2 4.4Å; L85-L121 HydrophobicContact CD2-CD2 3.89Å; L85-L121 HydrophobicContact CD2-CG 3.95Å; L85-L138 HydrophobicContact CD1-CD1 3.77Å; L85-L138 HydrophobicContact CD1-CD2 3.73Å; L85-L138 HydrophobicContact CD1-CG 4.42Å
86H91.3Very high86.9Confident43 Ų4370.1 Ų70.120%0.19935%0.345CS..  trans-108.9102.6174-57.685.7000108.4C73 C78 N84 E116 N117C73-H86 VanDerWaalsContact CB-NE2 3.31Å; C73-H86 WeakPolarHBondContact CB-NE2 3.45Å; C73-H86 PolarHBondContact SG-NE2 3.28Å; C73-H86 VanDerWaalsContact SG-NE2 3.37Å; C78-H86 PolarHBondContact SG-NE2 3.05Å; C78-H86 VanDerWaalsContact SG-NE2 3.43Å; N84-H86 PolarHBondContact O-CE1 2.88Å; N84-H86 PolarHBondContact O-ND1 3.07Å; H86-E116 IonicContact CG-OE2 3Å; H86-E116 IonicContact ND1-OE2 2.74Å; H86-N117 PolarHBondContact N-OD1 3.21Å; H86-N117 PolarHBondContact O-ND2 3.18Å
87L91.8Very high87.2Confident7 Ų768.1 Ų68.14%0.03734%0.343CS..  trans-156.5160.6-176.956.475.5000111.4V72 L85 K89 L92 S109 V112 L138 F145V72-L87 HydrophobicContact CG1-CD1 3.97Å; V72-L87 HydrophobicContact CG1-CG 4.3Å; V72-L87 HydrophobicContact CG2-CD1 3.77Å; V72-L87 HydrophobicContact CG2-CG 4.26Å; L85-L87 HydrophobicContact CB-CD2 4.08Å; L85-L87 HydrophobicContact CB-CG 4.37Å; L85-L87 HydrophobicContact CD1-CD2 4.35Å; L87-K89 PolarHBondContact O-N 2.95Å; L87-L92 HydrophobicContact CD1-CD1 3.63Å; L87-L92 HydrophobicContact CD1-CG 4.43Å; L87-L92 HydrophobicContact CD2-CD1 3.99Å; L87-L92 HydrophobicContact CG-CD1 4.45Å; L87-S109 CarbonylContact C-O 3.54Å; L87-S109 WeakPolarHBondContact CA-O 3.35Å; L87-V112 HydrophobicContact CD2-CG1 4Å; L87-V112 HydrophobicContact CD2-CG2 4.38Å; L87-L138 HydrophobicContact CD2-CD1 4.2Å; L87-F145 HydrophobicContact CD1-CE1 4.47Å; L87-F145 HydrophobicContact CD1-CZ 4.13Å
88C91.1Very high87.3Confident6 Ų664 Ų644%0.04133%0.327CS..  trans-81.9114.2-179-177.20000111.5L90 N91 L92 S109C88-L90 VanDerWaalsContact C-N 3.25Å; C88-L90 PolarHBondContact O-N 2.95Å; C88-N91 HydrophobicContact CB-CB 3.69Å; C88-N91 PolarHBondContact O-N 2.94Å; C88-N91 VanDerWaalsContact O-N 3.09Å; C88-L92 PolarHBondContact O-N 3.37Å; C88-S109 WeakPolarHBondContact CB-O 3.42Å; C88-S109 PolarHBondContact N-O 2.87Å
89K90.8Very high86.7Confident44 Ų4464.6 Ų64.619%0.19133%0.331CS..Hα-helixtrans-50.2-46.1173.8172.6172.2175.6167.20112.3L87 N91 L93 F144 F145 M146 H205L87-K89 PolarHBondContact O-N 2.95Å; K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.26Å; K89-L93 HydrophobicContact CG-CD1 3.91Å; K89-L93 PolarHBondContact O-N 2.65Å; K89-F144 HydrophobicContact CB-CD1 4.45Å; K89-F144 HydrophobicContact CB-CE1 3.8Å; K89-F144 HydrophobicContact CB-CZ 4.37Å; K89-F144 HydrophobicContact CD-CD1 4.45Å; K89-F144 HydrophobicContact CD-CE1 4.26Å; K89-F144 HydrophobicContact CD-CZ 4.48Å; K89-F144 WeakPolarHBondContact CD-O 3.34Å; K89-F144 VanDerWaalsContact CE-O 3.28Å; K89-F144 WeakPolarHBondContact CE-O 3.5Å; K89-F144 HydrophobicContact CG-CE1 4.44Å; K89-F144 PolarHBondContact NZ-O 3.3Å; K89-F145 WeakPolarHBondContact CE-O 3.25Å; K89-F145 HydrophobicContact CG-CD1 4.08Å; K89-F145 HydrophobicContact CG-CE1 4.45Å; K89-F145 PolarHBondContact NZ-O 3.34Å; K89-F145 VanDerWaalsContact NZ-O 3.13Å; K89-M146 PolarHBondContact NZ-O 3Å; K89-H205 VanDerWaalsContact CE-CE1 3.44Å; K89-H205 WeakPolarHBondContact CE-CE1 3.43Å; K89-H205 WeakPolarHBondContact CE-NE2 3.11Å; K89-H205 PolarHBondContact NZ-CE1 3.11Å; K89-H205 VanDerWaalsContact NZ-CE1 3.32Å; K89-H205 PolarHBondContact NZ-NE2 2.82Å
90L89.6Confident86.1Confident78 Ų7865.4 Ų65.441%0.40834%0.335SS..Hα-helixtrans-71-27.9-176.4-61.8180000112.2C88 L93 G94 R95 C96C88-L90 VanDerWaalsContact C-N 3.25Å; C88-L90 PolarHBondContact O-N 2.95Å; L90-L93 CarbonylContact O-C 3.47Å; L90-L93 PolarHBondContact O-N 3.34Å; L90-G94 PolarHBondContact O-N 3.35Å; L90-R95 CarbonylContact O-C 3.59Å; L90-R95 PolarHBondContact O-N 2.79Å; L90-C96 HydrophobicContact CB-CB 3.84Å; L90-C96 PolarHBondContact O-N 2.87Å
91N90.4Very high85.4Confident30 Ų3058.3 Ų58.316%0.1632%0.316CS..Hα-helixtrans-70.2-42.3178.2-167.259.1000111.4C88 K89 L93 G94 C96 H110C88-N91 HydrophobicContact CB-CB 3.69Å; C88-N91 PolarHBondContact O-N 2.94Å; C88-N91 VanDerWaalsContact O-N 3.09Å; K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.26Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 2.87Å; N91-G94 PolarHBondContact O-N 2.79Å; N91-G94 VanDerWaalsContact O-N 3.11Å; N91-C96 HydrophobicContact CB-CB 4.19Å; N91-H110 PolarHBondContact ND2-O 3.49Å; N91-H110 VanDerWaalsContact ND2-O 3.09Å; N91-H110 PolarHBondContact OD1-ND1 2.92Å
92L89.1Confident84.5Confident19 Ų1963.1 Ų63.110%0.09933%0.33CS..Hα-helixtrans-68-24.7173.7-77.9-178.4000113.8L87 C88 G94 V112 A135 L138 F145L87-L92 HydrophobicContact CD1-CD1 3.63Å; L87-L92 HydrophobicContact CD1-CG 4.43Å; L87-L92 HydrophobicContact CD2-CD1 3.99Å; L87-L92 HydrophobicContact CG-CD1 4.45Å; C88-L92 PolarHBondContact O-N 3.37Å; L92-G94 VanDerWaalsContact C-N 3.33Å; L92-V112 HydrophobicContact CD2-CG2 3.82Å; L92-V112 HydrophobicContact CG-CG2 4.4Å; L92-A135 HydrophobicContact CD2-CB 3.68Å; L92-L138 HydrophobicContact CD1-CD1 4.32Å; L92-F145 HydrophobicContact CB-CE1 3.97Å; L92-F145 HydrophobicContact CD1-CE1 3.7Å; L92-F145 HydrophobicContact CD1-CZ 3.57Å; L92-F145 HydrophobicContact CG-CE1 4.47Å
93L86.8Confident83Confident17 Ų1772.5 Ų72.59%0.08936%0.364CS..THydrogen-bonded Turntrans-86.62.2172-70.2167.6000113.3K89 L90 N91 R95 L139 H205 L207K89-L93 HydrophobicContact CG-CD1 3.91Å; K89-L93 PolarHBondContact O-N 2.65Å; L90-L93 CarbonylContact O-C 3.47Å; L90-L93 PolarHBondContact O-N 3.34Å; N91-L93 VanDerWaalsContact C-N 3.28Å; N91-L93 PolarHBondContact O-N 2.87Å; L93-R95 WeakPolarHBondContact O-CG 3.37Å; L93-R95 PolarHBondContact O-N 2.64Å; L93-L139 HydrophobicContact CD2-CD2 3.6Å; L93-L139 HydrophobicContact CG-CD2 4.16Å; L93-H205 WeakPolarHBondContact CD1-NE2 3.49Å; L93-L207 HydrophobicContact CD2-CD2 3.88Å; L93-L207 HydrophobicContact CD2-CG 4.29Å
94G85.4Confident81.9Confident64 Ų6474.8 Ų74.866%0.6638%0.376SS*.THydrogen-bonded Turntrans69.415.2-177.400000115.2L90 N91 L92L90-G94 PolarHBondContact O-N 3.35Å; N91-G94 PolarHBondContact O-N 2.79Å; N91-G94 VanDerWaalsContact O-N 3.11Å; L92-G94 VanDerWaalsContact C-N 3.33Å
95R85.3Confident81.2Confident118 Ų11880.4 Ų80.445%0.44541%0.405SS..  trans-120.420.7-169.5-67.6-179.471.417514.8114.5L90 L93 E204 H205L90-R95 CarbonylContact O-C 3.59Å; L90-R95 PolarHBondContact O-N 2.79Å; L93-R95 WeakPolarHBondContact O-CG 3.37Å; L93-R95 PolarHBondContact O-N 2.64Å; R95-E204 PolarHBondContact NH1-O 2.7Å; R95-H205 WeakPolarHBondContact CD-O 3.28Å; R95-H205 VanDerWaalsContact NH1-CA 3.26Å; R95-H205 PolarHBondContact NH1-O 3.4Å
96C87.5Confident81Confident7 Ų781.9 Ų81.95%0.04742%0.415CS..  trans-91.8112.9177.1-166.10000110.8L90 N91 Y98 S99 H110L90-C96 HydrophobicContact CB-CB 3.84Å; L90-C96 PolarHBondContact O-N 2.87Å; N91-C96 HydrophobicContact CB-CB 4.19Å; C96-Y98 PolarHBondContact O-N 3.45Å; C96-S99 PolarHBondContact O-N 2.96Å; C96-S99 PolarHBondContact O-OG 2.9Å; C96-H110 VanDerWaalsContact SG-CE1 3.54Å; C96-H110 PolarHBondContact SG-NE2 3.34Å
97N84.3Confident80.6Confident137 Ų13787.2 Ų87.273%0.73344%0.437SS*.G310 helixtrans-56.1-25177.7-57.317000112.9S99 S101N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.82Å; N97-S101 WeakPolarHBondContact O-CB 3.2Å; N97-S101 PolarHBondContact O-N 2.78Å
98Y83Confident80.4Confident113 Ų11393 Ų9344%0.44346%0.459SS..G310 helixtrans-81.84.4176.4-57.4-72000114.6C96 N104 C106 H110C96-Y98 PolarHBondContact O-N 3.45Å; Y98-N104 VanDerWaalsContact CD1-O 3.3Å; Y98-N104 WeakPolarHBondContact CD1-O 3.41Å; Y98-N104 HydrophobicContact CE1-CB 4.11Å; Y98-C106 HydrophobicContact CD2-CB 4.26Å; Y98-C106 HydrophobicContact CG-CB 4.22Å; Y98-H110 PolarHBondContact O-CE1 3.3Å
99S72.8Confident80.1Confident59 Ų5994.7 Ų94.741%0.41347%0.472SS..G310 helixtrans-86.9-12.7170.867.80000112.9C96 N97C96-S99 PolarHBondContact O-N 2.96Å; C96-S99 PolarHBondContact O-OG 2.9Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.82Å
100Q68.5Low80Confident185 Ų18594.9 Ų94.986%0.86447%0.473SS*.SBendtrans-126.2-3.4-179.1-64.2175.7-6.900112.9
101S65.2Low79.9Confident51 Ų5196.9 Ų96.936%0.35748%0.481SS..  trans-99.3119.6179.8-179.20000111.3N97 R103N97-S101 WeakPolarHBondContact O-CB 3.2Å; N97-S101 PolarHBondContact O-N 2.78Å; S101-R103 PolarHBondContact O-N 2.94Å; S101-R103 PolarHBondContact OG-N 2.81Å; S101-R103 VanDerWaalsContact OG-N 3.14Å; S101-R103 PolarHBondContact OG-O 2.84Å
102E62.5Low79.7Confident203 Ų20395.6 Ų95.695%0.94947%0.474SS*.SBendtrans-70.2-15.5167.4-61.4180160.500112.4
103R55.5Low79.5Confident209 Ų20998.7 Ų98.779%0.78949%0.49SS*.SBendtrans-93.8116.9177.1-64.4-173.5-178.9-167.10.3110.5S101S101-R103 PolarHBondContact O-N 2.94Å; S101-R103 PolarHBondContact OG-N 2.81Å; S101-R103 VanDerWaalsContact OG-N 3.14Å; S101-R103 PolarHBondContact OG-O 2.84Å
104N63.8Low79.5Confident128 Ų12898.4 Ų98.468%0.68449%0.489SS*.SBendtrans66136.6-178.7-56.8-39.9000115.2Y98Y98-N104 VanDerWaalsContact CD1-O 3.3Å; Y98-N104 WeakPolarHBondContact CD1-O 3.41Å; Y98-N104 HydrophobicContact CE1-CB 4.11Å
105L79.3Confident79.4Confident171 Ų171104.1 Ų104.190%0.89550%0.499SS*.  trans-83.3149.7176-63.5175.4000111.6
106C86.1Confident79.3Confident31 Ų31102.3 Ų102.321%0.20950%0.495CS..  trans-66.4140173.2-165.10000111.4Y98 Y108 H110Y98-C106 HydrophobicContact CD2-CB 4.26Å; Y98-C106 HydrophobicContact CG-CB 4.22Å; C106-Y108 PolarHBondContact O-N 2.84Å; C106-H110 VanDerWaalsContact CB-NE2 3.3Å; C106-H110 WeakPolarHBondContact CB-NE2 3.41Å; C106-H110 PolarHBondContact SG-NE2 2.65Å; C106-H110 VanDerWaalsContact SG-NE2 3.44Å
107K84.6Confident79.4Confident154 Ų154102 Ų10267%0.6749%0.493SS*.SBendtrans-62.7-18.7172.9178.2170177.4176.80113.8
108Y86.1Confident79.6Confident128 Ų12899.4 Ų99.450%0.50248%0.476SS..SBendtrans-119139.2-177.5-61.3-77.8000110C106 H110C106-Y108 PolarHBondContact O-N 2.84Å; Y108-H110 PolarHBondContact O-CD2 2.83Å; Y108-H110 PolarHBondContact O-N 2.86Å
109S86.3Confident79.9Confident43 Ų43100.5 Ų100.530%0.30148%0.479SS..  trans-52.7131.9-179.5-175.40000112L87 C88 E111L87-S109 CarbonylContact C-O 3.54Å; L87-S109 WeakPolarHBondContact CA-O 3.35Å; C88-S109 WeakPolarHBondContact CB-O 3.42Å; C88-S109 PolarHBondContact N-O 2.87Å; S109-E111 PolarHBondContact OG-N 3.42Å; S109-E111 PolarHBondContact OG-O 3.29Å
110H88.3Confident80.7Confident48 Ų4897.8 Ų97.822%0.22246%0.46CS..SBendtrans-87-16.8167.7-75.7-164000112N91 C96 Y98 C106 Y108N91-H110 PolarHBondContact ND2-O 3.49Å; N91-H110 VanDerWaalsContact ND2-O 3.09Å; N91-H110 PolarHBondContact OD1-ND1 2.92Å; C96-H110 VanDerWaalsContact SG-CE1 3.54Å; C96-H110 PolarHBondContact SG-NE2 3.34Å; Y98-H110 PolarHBondContact O-CE1 3.3Å; C106-H110 VanDerWaalsContact CB-NE2 3.3Å; C106-H110 WeakPolarHBondContact CB-NE2 3.41Å; C106-H110 PolarHBondContact SG-NE2 2.65Å; C106-H110 VanDerWaalsContact SG-NE2 3.44Å; Y108-H110 PolarHBondContact O-CD2 2.83Å; Y108-H110 PolarHBondContact O-N 2.86Å
111E87.3Confident81.7Confident120 Ų12089 Ų8956%0.56142%0.419SS*.  trans-84.9113.5175-172.2-178.7-134.800110.2S109 S114S109-E111 PolarHBondContact OG-N 3.42Å; S109-E111 PolarHBondContact OG-O 3.29Å; E111-S114 WeakPolarHBondContact OE2-CA 3.21Å; E111-S114 VanDerWaalsContact OE2-CB 3.28Å; E111-S114 WeakPolarHBondContact OE2-CB 3.49Å
112V85.9Confident82.8Confident2 Ų291.6 Ų91.61%0.01242%0.424CS..THydrogen-bonded Turntrans-74.6-38.5177.6-177.70000110.7L87 L92 S114 N117 K131 L134L87-V112 HydrophobicContact CD2-CG1 4Å; L87-V112 HydrophobicContact CD2-CG2 4.38Å; L92-V112 HydrophobicContact CD2-CG2 3.82Å; L92-V112 HydrophobicContact CG-CG2 4.4Å; V112-S114 PolarHBondContact O-N 3.46Å; V112-N117 WeakPolarHBondContact O-CB 3.39Å; V112-N117 PolarHBondContact O-ND2 3.07Å; V112-K131 HydrophobicContact CG2-CG 4.11Å; V112-L134 HydrophobicContact CG1-CB 4.23Å; V112-L134 HydrophobicContact CG1-CD1 3.89Å
113L85.8Confident84.1Confident84 Ų8488.1 Ų88.144%0.4441%0.406SS..THydrogen-bonded Turntrans-86.119-176.5-63.5175.2000113.7L121 L134L113-L121 HydrophobicContact CD2-CD1 3.87Å; L113-L134 HydrophobicContact CD2-CD1 3.49Å; L113-L134 VanDerWaalsContact CD2-CD1 3.49Å; L113-L134 HydrophobicContact CG-CD1 4.43Å
114S86.4Confident85.6Confident12 Ų1280.3 Ų80.38%0.08438%0.378CS..  trans-62158.2-177.969.20000112.7E111 V112 E116 N117 F118E111-S114 WeakPolarHBondContact OE2-CA 3.21Å; E111-S114 VanDerWaalsContact OE2-CB 3.28Å; E111-S114 WeakPolarHBondContact OE2-CB 3.49Å; V112-S114 PolarHBondContact O-N 3.46Å; S114-E116 PolarHBondContact O-N 2.91Å; S114-N117 CarbonylContact O-C 3.56Å; S114-N117 WeakPolarHBondContact O-CA 3.41Å; S114-N117 WeakPolarHBondContact O-CB 3.4Å; S114-N117 PolarHBondContact O-N 3.18Å; S114-N117 PolarHBondContact OG-ND2 3.33Å; S114-F118 PolarHBondContact O-N 2.9Å
115E83.8Confident86.7Confident184 Ų18477.4 Ų77.486%0.8636%0.36SS*.Hα-helixtrans-54.2-38.4-179.3-169.5-173-169.700113N117 F118E115-N117 VanDerWaalsContact C-N 3.31Å; E115-N117 PolarHBondContact O-N 3.26Å; E115-F118 PolarHBondContact O-N 3.14Å
116E83.4Confident87.1Confident79 Ų7969.4 Ų69.437%0.36932%0.319SS..Hα-helixtrans-60-41.5174.3-63-163157.500112.4R80 H86 S114R80-E116 IonicContact CZ-OE1 3.16Å; R80-E116 VanDerWaalsContact CZ-OE1 3.25Å; R80-E116 IonicContact NE-OE1 2.69Å; R80-E116 PolarHBondContact NE-OE1 3.01Å; R80-E116 VanDerWaalsContact NE-OE1 3.08Å; R80-E116 IonicContact NH2-OE1 2.79Å; R80-E116 PolarHBondContact NH2-OE1 2.93Å; H86-E116 IonicContact CG-OE2 3Å; H86-E116 IonicContact ND1-OE2 2.74Å; S114-E116 PolarHBondContact O-N 2.91Å
117N89.5Confident86.9Confident0 Ų070.8 Ų70.80%033%0.329CS..Hα-helixtrans-80.5-31-175.7-71-22.4000111.7L85 H86 V112 S114 E115 R119 V120 L121L85-N117 WeakPolarHBondContact CA-OD1 3.49Å; L85-N117 HydrophobicContact CD2-CB 3.78Å; H86-N117 PolarHBondContact N-OD1 3.21Å; H86-N117 PolarHBondContact O-ND2 3.18Å; V112-N117 WeakPolarHBondContact O-CB 3.39Å; V112-N117 PolarHBondContact O-ND2 3.07Å; S114-N117 CarbonylContact O-C 3.56Å; S114-N117 WeakPolarHBondContact O-CA 3.41Å; S114-N117 WeakPolarHBondContact O-CB 3.4Å; S114-N117 PolarHBondContact O-N 3.18Å; S114-N117 PolarHBondContact OG-ND2 3.33Å; E115-N117 VanDerWaalsContact C-N 3.31Å; E115-N117 PolarHBondContact O-N 3.26Å; N117-R119 PolarHBondContact O-N 3.03Å; N117-R119 VanDerWaalsContact O-N 3.16Å; N117-V120 CarbonylContact O-C 3.57Å; N117-V120 WeakPolarHBondContact O-CA 3.47Å; N117-V120 WeakPolarHBondContact O-CB 3.2Å; N117-V120 PolarHBondContact O-N 2.82Å; N117-L121 HydrophobicContact CB-CD1 4.41Å; N117-L121 WeakPolarHBondContact O-CG 3.42Å; N117-L121 PolarHBondContact O-N 3.03Å
118F88.4Confident86.8Confident84 Ų8465.3 Ų65.337%0.36832%0.316SS..Hα-helixtrans-52.3-40.7-179.3-176.3-102.7000112.8S114 E115 V120 K122 P722S114-F118 PolarHBondContact O-N 2.9Å; E115-F118 PolarHBondContact O-N 3.14Å; F118-V120 VanDerWaalsContact C-N 3.35Å; F118-V120 PolarHBondContact O-N 3.32Å; F118-K122 HydrophobicContact CE1-CD 4.23Å; F118-K122 HydrophobicContact CZ-CD 4.48Å; F118-K122 WeakPolarHBondContact O-CB 3.46Å; F118-K122 PolarHBondContact O-N 3.25Å; F118-P722 HydrophobicContact CE1-CG 4.09Å; F118-P722 HydrophobicContact CZ-CG 3.96Å
119R87.8Confident86.9Confident135 Ų13559.5 Ų59.551%0.50929%0.293SS..Hα-helixtrans-63.1-38.8175.7-171.8179.171.7179.66.3112.8C82 N117 K123C82-R119 PolarHBondContact O-NH2 2.9Å; N117-R119 PolarHBondContact O-N 3.03Å; N117-R119 VanDerWaalsContact O-N 3.16Å; R119-K123 VanDerWaalsContact O-CB 3.32Å; R119-K123 WeakPolarHBondContact O-CB 3.27Å; R119-K123 PolarHBondContact O-N 3.33Å
120V89.9Confident87.1Confident2 Ų260.6 Ų60.61%0.01230%0.296CS..Hα-helixtrans-75.5-43.7179.9178.70000110.6D83 L85 N117 F118 K122 K123 H124D83-V120 WeakPolarHBondContact O-CG1 3.39Å; L85-V120 HydrophobicContact CD2-CB 3.87Å; L85-V120 HydrophobicContact CD2-CG1 3.77Å; L85-V120 HydrophobicContact CG-CG1 3.99Å; N117-V120 CarbonylContact O-C 3.57Å; N117-V120 WeakPolarHBondContact O-CA 3.47Å; N117-V120 WeakPolarHBondContact O-CB 3.2Å; N117-V120 PolarHBondContact O-N 2.82Å; F118-V120 VanDerWaalsContact C-N 3.35Å; F118-V120 PolarHBondContact O-N 3.32Å; V120-K122 PolarHBondContact O-N 3.46Å; V120-K123 PolarHBondContact O-N 3.44Å; V120-H124 PolarHBondContact O-CD2 3.16Å; V120-H124 VanDerWaalsContact O-CD2 3.25Å; V120-H124 PolarHBondContact O-N 3.21Å; V120-H124 VanDerWaalsContact O-N 3.14Å
121L90.7Very high87.2Confident2 Ų262.4 Ų62.41%0.0130%0.303CS..Hα-helixtrans-58.3-47.9173.9-66172.6000110.5L85 L113 N117 K123 H124 E125 L126 L134L85-L121 HydrophobicContact CD1-CD2 4.4Å; L85-L121 HydrophobicContact CD2-CD2 3.89Å; L85-L121 HydrophobicContact CD2-CG 3.95Å; L113-L121 HydrophobicContact CD2-CD1 3.87Å; N117-L121 HydrophobicContact CB-CD1 4.41Å; N117-L121 WeakPolarHBondContact O-CG 3.42Å; N117-L121 PolarHBondContact O-N 3.03Å; L121-K123 PolarHBondContact O-N 3.11Å; L121-H124 CarbonylContact O-C 3.57Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 3.24Å; L121-E125 PolarHBondContact O-N 3.2Å; L121-L126 HydrophobicContact CB-CB 4.23Å; L121-L126 HydrophobicContact CD2-CB 3.96Å; L121-L126 HydrophobicContact CD2-CD1 4.09Å; L121-L126 PolarHBondContact O-N 3.23Å; L121-L134 HydrophobicContact CD1-CD1 4.04Å; L121-L134 HydrophobicContact CD2-CD1 4.07Å; L121-L134 HydrophobicContact CD2-CD2 3.96Å
122K88.4Confident87.3Confident104 Ų10461.7 Ų61.745%0.45230%0.3SS..Hα-helixtrans-62.5-39.2176.3-174168.6-177.2168.10113.2F118 V120 H124 E125F118-K122 HydrophobicContact CE1-CD 4.23Å; F118-K122 HydrophobicContact CZ-CD 4.48Å; F118-K122 WeakPolarHBondContact O-CB 3.46Å; F118-K122 PolarHBondContact O-N 3.25Å; V120-K122 PolarHBondContact O-N 3.46Å; K122-H124 PolarHBondContact O-N 3.34Å; K122-E125 PolarHBondContact O-N 2.91Å
123K88Confident87.6Confident130 Ų13062.3 Ų62.357%0.56530%0.302SS*.Hα-helixtrans-63.2-20.4173.2178.6170.9178.2167.50113.3D83 R119 V120 L121D83-K123 IonicContact OD2-NZ 2.78Å; D83-K123 PolarHBondContact OD2-NZ 3.19Å; R119-K123 VanDerWaalsContact O-CB 3.32Å; R119-K123 WeakPolarHBondContact O-CB 3.27Å; R119-K123 PolarHBondContact O-N 3.33Å; V120-K123 PolarHBondContact O-N 3.44Å; L121-K123 PolarHBondContact O-N 3.11Å
124H87.3Confident87.9Confident45 Ų4558.3 Ų58.321%0.20828%0.281CS..THydrogen-bonded Turntrans-110.113.7176.8-71.3-63.9000113.6A70 V120 L121 K122 L126A70-H124 HydrophobicContact CB-CB 4.09Å; A70-H124 VanDerWaalsContact CB-CD2 3.5Å; A70-H124 WeakPolarHBondContact CB-CD2 3.4Å; V120-H124 PolarHBondContact O-CD2 3.16Å; V120-H124 VanDerWaalsContact O-CD2 3.25Å; V120-H124 PolarHBondContact O-N 3.21Å; V120-H124 VanDerWaalsContact O-N 3.14Å; L121-H124 CarbonylContact O-C 3.57Å; L121-H124 WeakPolarHBondContact O-CA 3.28Å; L121-H124 PolarHBondContact O-N 3.24Å; K122-H124 PolarHBondContact O-N 3.34Å; H124-L126 HydrophobicContact CB-CD1 4.29Å; H124-L126 HydrophobicContact CB-CG 4.02Å; H124-L126 WeakPolarHBondContact O-CG 3.42Å; H124-L126 PolarHBondContact O-N 2.9Å
125E87.6Confident88.2Confident67 Ų6758.5 Ų58.531%0.31328%0.284SS..THydrogen-bonded Turntrans5729.1-178.6-61.3172.2-125.500114.4P4 R48 L121 K122P4-E125 WeakPolarHBondContact CA-OE2 3.4Å; P4-E125 WeakPolarHBondContact CB-OE2 3.5Å; R48-E125 IonicContact CZ-OE1 2.82Å; R48-E125 IonicContact CZ-OE2 2.74Å; R48-E125 IonicContact NH1-OE1 3.28Å; R48-E125 PolarHBondContact NH1-OE1 3.25Å; R48-E125 VanDerWaalsContact NH1-OE1 3.1Å; R48-E125 IonicContact NH1-OE2 2.68Å; R48-E125 PolarHBondContact NH1-OE2 2.91Å; R48-E125 IonicContact NH2-OE2 3.78Å; R48-E125 PolarHBondContact NH2-OE2 3.31Å; L121-E125 PolarHBondContact O-N 3.2Å; K122-E125 PolarHBondContact O-N 2.91Å
126L88.3Confident88.6Confident4 Ų451.4 Ų51.42%0.02125%0.253CS..  trans-98.515.6-179.7-53.9-174.1000113.5T11 T68 A70 L121 H124 G128 L129 L134 L137T11-L126 HydrophobicContact CG2-CD2 4.47Å; T68-L126 HydrophobicContact CG2-CD1 4.22Å; A70-L126 HydrophobicContact CB-CD1 3.94Å; L121-L126 HydrophobicContact CB-CB 4.23Å; L121-L126 HydrophobicContact CD2-CB 3.96Å; L121-L126 HydrophobicContact CD2-CD1 4.09Å; L121-L126 PolarHBondContact O-N 3.23Å; H124-L126 HydrophobicContact CB-CD1 4.29Å; H124-L126 HydrophobicContact CB-CG 4.02Å; H124-L126 WeakPolarHBondContact O-CG 3.42Å; H124-L126 PolarHBondContact O-N 2.9Å; L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.21Å; L126-L129 HydrophobicContact CB-CD1 3.99Å; L126-L129 HydrophobicContact CD2-CD1 3.97Å; L126-L134 HydrophobicContact CB-CD2 3.99Å; L126-L134 HydrophobicContact CD1-CD2 4.09Å; L126-L137 HydrophobicContact CD1-CD2 4.1Å; L126-L137 HydrophobicContact CD2-CD2 3.6Å; L126-L137 HydrophobicContact CG-CD2 4.49Å
127S81.5Confident89.1Confident60 Ų6047.6 Ų47.642%0.4224%0.235SC..THydrogen-bonded Turntrans-69.3-18.6-168.6-16.30000115.1
128G82.1Confident89.3Confident39 Ų3947.6 Ų47.640%0.40224%0.235SC..THydrogen-bonded Turntrans-103.36.7-17500000115.3L126L126-G128 VanDerWaalsContact C-N 3.28Å; L126-G128 PolarHBondContact O-N 3.21Å
129L88.7Confident89.6Confident6 Ų644.8 Ų44.83%0.03122%0.224CC..  trans-97.8142.9-178.3-66.3122.2000111.8T11 K12 C15 L126 E133 L134T11-L129 HydrophobicContact CG2-CD1 4.06Å; T11-L129 HydrophobicContact CG2-CD2 4.12Å; K12-L129 HydrophobicContact CB-CD2 4.32Å; C15-L129 HydrophobicContact CB-CD2 3.94Å; L126-L129 HydrophobicContact CB-CD1 3.99Å; L126-L129 HydrophobicContact CD2-CD1 3.97Å; L129-E133 WeakPolarHBondContact CA-OE2 3.49Å; L129-E133 HydrophobicContact CB-CB 4.13Å; L129-E133 HydrophobicContact CD2-CB 3.76Å; L129-E133 HydrophobicContact CD2-CG 4.46Å; L129-L134 HydrophobicContact CB-CD2 3.9Å; L129-L134 HydrophobicContact CB-CG 3.84Å; L129-L134 HydrophobicContact CD1-CD2 4.32Å
130N90.4Very high89.8Confident65 Ų6538.6 Ų38.635%0.34820%0.201SC..  trans-78.2176.1175.271.243.1000112.1E132 E133 L134N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 2.89Å; N130-E132 WeakPolarHBondContact OD1-CA 3.48Å; N130-E132 WeakPolarHBondContact OD1-CB 3.48Å; N130-E132 PolarHBondContact OD1-N 3.01Å; N130-E133 VanDerWaalsContact CG-CD 3.42Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 PolarHBondContact ND2-OE1 2.81Å; N130-E133 PolarHBondContact ND2-OE2 3.31Å; N130-E133 WeakPolarHBondContact OD1-CB 3.45Å; N130-E133 WeakPolarHBondContact OD1-CG 3.45Å; N130-E133 PolarHBondContact OD1-N 3.4Å; N130-L134 VanDerWaalsContact O-CB 3.29Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 VanDerWaalsContact O-CG 3.22Å; N130-L134 WeakPolarHBondContact O-CG 3.13Å; N130-L134 PolarHBondContact O-N 2.84Å
131K89.3Confident89.9Confident86 Ų8638.9 Ų38.937%0.37420%0.203SC..Hα-helixtrans-62.9-34.8-176.1165.6176.1152.3-85.90112.5V112 A135V112-K131 HydrophobicContact CG2-CG 4.11Å; K131-A135 WeakPolarHBondContact O-CB 3.2Å; K131-A135 PolarHBondContact O-N 3.35Å
132E89.8Confident90.1Very high105 Ų10539 Ų3949%0.49120%0.203SC..Hα-helixtrans-78.8-44.5-175.9-68.156.5-131.200110.8N130 A135 V136N130-E132 VanDerWaalsContact C-N 3.29Å; N130-E132 PolarHBondContact O-N 2.89Å; N130-E132 WeakPolarHBondContact OD1-CA 3.48Å; N130-E132 WeakPolarHBondContact OD1-CB 3.48Å; N130-E132 PolarHBondContact OD1-N 3.01Å; E132-A135 WeakPolarHBondContact O-CB 2.91Å; E132-A135 PolarHBondContact O-N 3.16Å; E132-A135 VanDerWaalsContact O-N 3.12Å; E132-V136 PolarHBondContact O-N 3.2Å
133E92.5Very high90.2Very high15 Ų1535.5 Ų35.57%0.0719%0.192CC..Hα-helixtrans-59.2-44.7170.1-70.3162.5-176.300111.2K12 C15 L129 N130 A135 V136 L137K12-E133 VanDerWaalsContact CE-OE1 3.29Å; K12-E133 WeakPolarHBondContact CE-OE1 3.36Å; C15-E133 HydrophobicContact CB-CB 3.77Å; C15-E133 HydrophobicContact CB-CG 4.12Å; L129-E133 WeakPolarHBondContact CA-OE2 3.49Å; L129-E133 HydrophobicContact CB-CB 4.13Å; L129-E133 HydrophobicContact CD2-CB 3.76Å; L129-E133 HydrophobicContact CD2-CG 4.46Å; N130-E133 VanDerWaalsContact CG-CD 3.42Å; N130-E133 PolarHBondContact N-OE2 2.98Å; N130-E133 PolarHBondContact ND2-OE1 2.81Å; N130-E133 PolarHBondContact ND2-OE2 3.31Å; N130-E133 WeakPolarHBondContact OD1-CB 3.45Å; N130-E133 WeakPolarHBondContact OD1-CG 3.45Å; N130-E133 PolarHBondContact OD1-N 3.4Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 2.79Å; E133-V136 PolarHBondContact O-N 3.28Å; E133-L137 WeakPolarHBondContact O-CB 3.5Å; E133-L137 PolarHBondContact O-N 3.06Å
134L92.4Very high90.3Very high0 Ų032.4 Ų32.40%018%0.178CC..Hα-helixtrans-65.7-33.3173.4-73.1175.5000112.4V112 L113 L121 L126 L129 N130 L138V112-L134 HydrophobicContact CG1-CB 4.23Å; V112-L134 HydrophobicContact CG1-CD1 3.89Å; L113-L134 HydrophobicContact CD2-CD1 3.49Å; L113-L134 VanDerWaalsContact CD2-CD1 3.49Å; L113-L134 HydrophobicContact CG-CD1 4.43Å; L121-L134 HydrophobicContact CD1-CD1 4.04Å; L121-L134 HydrophobicContact CD2-CD1 4.07Å; L121-L134 HydrophobicContact CD2-CD2 3.96Å; L126-L134 HydrophobicContact CB-CD2 3.99Å; L126-L134 HydrophobicContact CD1-CD2 4.09Å; L129-L134 HydrophobicContact CB-CD2 3.9Å; L129-L134 HydrophobicContact CB-CG 3.84Å; L129-L134 HydrophobicContact CD1-CD2 4.32Å; N130-L134 VanDerWaalsContact O-CB 3.29Å; N130-L134 WeakPolarHBondContact O-CB 3.48Å; N130-L134 VanDerWaalsContact O-CG 3.22Å; N130-L134 WeakPolarHBondContact O-CG 3.13Å; N130-L134 PolarHBondContact O-N 2.84Å; L134-L138 WeakPolarHBondContact O-CB 3.34Å; L134-L138 WeakPolarHBondContact O-CD1 3.37Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 3.39Å
135A91.6Very high90.5Very high16 Ų1630.3 Ų30.313%0.13217%0.168CC..Hα-helixtrans-62.5-52.5174.400000110.4L92 K131 E132 E133 L137 L138 L139L92-A135 HydrophobicContact CD2-CB 3.68Å; K131-A135 WeakPolarHBondContact O-CB 3.2Å; K131-A135 PolarHBondContact O-N 3.35Å; E132-A135 WeakPolarHBondContact O-CB 2.91Å; E132-A135 PolarHBondContact O-N 3.16Å; E132-A135 VanDerWaalsContact O-N 3.12Å; E133-A135 VanDerWaalsContact C-N 3.32Å; E133-A135 PolarHBondContact O-N 2.79Å; A135-L137 PolarHBondContact O-N 3.46Å; A135-L138 PolarHBondContact O-N 2.87Å; A135-L139 HydrophobicContact CB-CD1 4.49Å; A135-L139 VanDerWaalsContact O-CB 3.23Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 WeakPolarHBondContact O-CD1 3.24Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 3.12Å
136V92.9Very high90.6Very high35 Ų3527.6 Ų27.621%0.21216%0.156CC..Hα-helixtrans-51.4-54.4174.8169.90000110.6G18 E132 E133 L138 L139 Q140G18-V136 VanDerWaalsContact C-CG1 3.44Å; E132-V136 PolarHBondContact O-N 3.2Å; E133-V136 PolarHBondContact O-N 3.28Å; V136-L138 PolarHBondContact O-N 3.04Å; V136-L139 PolarHBondContact O-N 2.9Å; V136-Q140 WeakPolarHBondContact O-CG 3.38Å; V136-Q140 PolarHBondContact O-N 3.04Å
137L94.7Very high90.8Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-62.1-43.1-176.7-172.158.6000113.1T11 A66 T68 L126 E133 A135 S141T11-L137 HydrophobicContact CG2-CD2 3.91Å; A66-L137 HydrophobicContact CB-CD1 3.76Å; T68-L137 HydrophobicContact CG2-CD2 4.28Å; T68-L137 HydrophobicContact CG2-CG 4.02Å; L126-L137 HydrophobicContact CD1-CD2 4.1Å; L126-L137 HydrophobicContact CD2-CD2 3.6Å; L126-L137 HydrophobicContact CG-CD2 4.49Å; E133-L137 WeakPolarHBondContact O-CB 3.5Å; E133-L137 PolarHBondContact O-N 3.06Å; A135-L137 PolarHBondContact O-N 3.46Å; L137-S141 WeakPolarHBondContact O-CB 3.33Å; L137-S141 PolarHBondContact O-N 3.35Å; L137-S141 VanDerWaalsContact O-N 3.13Å; L137-S141 PolarHBondContact O-OG 3.44Å
138L94Very high91.1Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-74.9-39.6-177.8-71.1171.9000112.3T68 A70 L85 L87 L92 L134 A135 V136 Q140 S141 D142 F145T68-L138 HydrophobicContact CG2-CD2 4.2Å; A70-L138 HydrophobicContact CB-CD2 4.41Å; L85-L138 HydrophobicContact CD1-CD1 3.77Å; L85-L138 HydrophobicContact CD1-CD2 3.73Å; L85-L138 HydrophobicContact CD1-CG 4.42Å; L87-L138 HydrophobicContact CD2-CD1 4.2Å; L92-L138 HydrophobicContact CD1-CD1 4.32Å; L134-L138 WeakPolarHBondContact O-CB 3.34Å; L134-L138 WeakPolarHBondContact O-CD1 3.37Å; L134-L138 WeakPolarHBondContact O-CG 3.49Å; L134-L138 PolarHBondContact O-N 3.39Å; A135-L138 PolarHBondContact O-N 2.87Å; V136-L138 PolarHBondContact O-N 3.04Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 2.89Å; L138-S141 PolarHBondContact O-N 2.98Å; L138-D142 PolarHBondContact O-N 2.85Å; L138-F145 HydrophobicContact CB-CE2 3.87Å; L138-F145 HydrophobicContact CB-CZ 4.3Å; L138-F145 VanDerWaalsContact O-CD2 3.3Å; L138-F145 WeakPolarHBondContact O-CD2 3.23Å
139L93Very high91.5Very high25 Ų2530.4 Ų30.413%0.13115%0.154CC..Hα-helixtrans-60.5-39177.6-72.3169.4000111.4L93 A135 V136 F145 L207 V211L93-L139 HydrophobicContact CD2-CD2 3.6Å; L93-L139 HydrophobicContact CG-CD2 4.16Å; A135-L139 HydrophobicContact CB-CD1 4.49Å; A135-L139 VanDerWaalsContact O-CB 3.23Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 WeakPolarHBondContact O-CD1 3.24Å; A135-L139 WeakPolarHBondContact O-CG 3.34Å; A135-L139 PolarHBondContact O-N 3.12Å; V136-L139 PolarHBondContact O-N 2.9Å; L139-F145 HydrophobicContact CD2-CB 3.94Å; L139-F145 HydrophobicContact CD2-CD1 3.66Å; L139-F145 HydrophobicContact CD2-CD2 4.48Å; L139-F145 HydrophobicContact CD2-CE1 4.32Å; L139-F145 HydrophobicContact CD2-CG 3.76Å; L139-L207 HydrophobicContact CB-CD2 4.37Å; L139-L207 HydrophobicContact CD2-CD2 4.03Å; L139-V211 HydrophobicContact CB-CG1 4.39Å
140Q93.3Very high91.5Very high4 Ų430.3 Ų30.32%0.01915%0.153CC..Hα-helixtrans-85.6-13175.974.7-168.934.300115.1G19 A66 V136 L138 V211 N214 I215 I218G19-Q140 PolarHBondContact O-NE2 2.84Å; A66-Q140 PolarHBondContact O-NE2 3.49Å; V136-Q140 WeakPolarHBondContact O-CG 3.38Å; V136-Q140 PolarHBondContact O-N 3.04Å; L138-Q140 VanDerWaalsContact C-N 3.3Å; L138-Q140 PolarHBondContact O-N 2.89Å; Q140-V211 HydrophobicContact CB-CG1 4.12Å; Q140-N214 HydrophobicContact CB-CB 4.08Å; Q140-N214 HydrophobicContact CG-CB 4.46Å; Q140-N214 PolarHBondContact OE1-ND2 2.76Å; Q140-I215 HydrophobicContact CB-CG1 4.04Å; Q140-I218 HydrophobicContact CB-CD1 4.24Å; Q140-I218 HydrophobicContact CG-CD1 3.96Å; Q140-I218 WeakPolarHBondContact O-CD1 3.49Å
141S92.3Very high91.2Very high9 Ų935.1 Ų35.16%0.06317%0.171CC..Hα-helixtrans-103.2-35.7-176.1-64.40000115.6T67 T68 R71 L137 L138 P143T67-S141 WeakPolarHBondContact CA-OG 3.37Å; T68-S141 PolarHBondContact N-OG 2.69Å; R71-S141 PolarHBondContact NE-O 2.95Å; R71-S141 PolarHBondContact NH2-O 2.97Å; L137-S141 WeakPolarHBondContact O-CB 3.33Å; L137-S141 PolarHBondContact O-N 3.35Å; L137-S141 VanDerWaalsContact O-N 3.13Å; L137-S141 PolarHBondContact O-OG 3.44Å; L138-S141 PolarHBondContact O-N 2.98Å; S141-P143 WeakPolarHBondContact O-CD 3.24Å
142D93.1Very high90.8Very high3 Ų334 Ų342%0.01617%0.169CC..  trans-102.5115-175.7-169.1-11.7000112.4R71 V72 R74 L138 F144 F145R71-D142 WeakPolarHBondContact CA-OD2 3.28Å; R71-D142 WeakPolarHBondContact CD-OD1 3.49Å; R71-D142 WeakPolarHBondContact CD-OD2 3.39Å; V72-D142 PolarHBondContact N-OD2 3.22Å; R74-D142 IonicContact CZ-OD1 2.66Å; R74-D142 IonicContact NH2-OD1 3.84Å; R74-D142 PolarHBondContact NH2-OD1 3.21Å; L138-D142 PolarHBondContact O-N 2.85Å; D142-F144 PolarHBondContact O-N 2.8Å; D142-F144 VanDerWaalsContact OD1-CB 3.25Å; D142-F144 WeakPolarHBondContact OD1-CB 3.43Å; D142-F144 PolarHBondContact OD1-N 3.38Å; D142-F145 HydrophobicContact CB-CD2 3.87Å; D142-F145 HydrophobicContact CB-CE2 3.91Å; D142-F145 WeakPolarHBondContact O-CD2 3.45Å; D142-F145 PolarHBondContact O-N 2.81Å
143P90.9Very high90.3Very high32 Ų3229.6 Ų29.621%0.20815%0.148CC..THydrogen-bonded Turntrans-53.5-14.6171.8-30.939.3000115.7S141 F145 M146 T178S141-P143 WeakPolarHBondContact O-CD 3.24Å; P143-F145 PolarHBondContact O-N 2.79Å; P143-M146 VanDerWaalsContact CA-CE 3.46Å; P143-M146 HydrophobicContact CB-CE 3.49Å; P143-M146 VanDerWaalsContact CB-CE 3.49Å; P143-M146 HydrophobicContact CG-CE 4.23Å; P143-T178 WeakPolarHBondContact CG-O 3.45Å
144F91.2Very high89.6Confident65 Ų6533.5 Ų33.529%0.28516%0.164SC..THydrogen-bonded Turntrans-59.8-29.1171.9-175.3-117.1000113.1V72 R74 K89 D142V72-F144 HydrophobicContact CB-CD1 3.6Å; V72-F144 HydrophobicContact CB-CE1 3.97Å; V72-F144 HydrophobicContact CB-CG 4.35Å; V72-F144 HydrophobicContact CG1-CD1 3.76Å; V72-F144 HydrophobicContact CG1-CE1 3.56Å; V72-F144 HydrophobicContact CG1-CZ 4.46Å; V72-F144 HydrophobicContact CG2-CD1 4.07Å; R74-F144 HydrophobicContact CG-CD2 4.23Å; K89-F144 HydrophobicContact CB-CD1 4.45Å; K89-F144 HydrophobicContact CB-CE1 3.8Å; K89-F144 HydrophobicContact CB-CZ 4.37Å; K89-F144 HydrophobicContact CD-CD1 4.45Å; K89-F144 HydrophobicContact CD-CE1 4.26Å; K89-F144 HydrophobicContact CD-CZ 4.48Å; K89-F144 WeakPolarHBondContact CD-O 3.34Å; K89-F144 VanDerWaalsContact CE-O 3.28Å; K89-F144 WeakPolarHBondContact CE-O 3.5Å; K89-F144 HydrophobicContact CG-CE1 4.44Å; K89-F144 PolarHBondContact NZ-O 3.3Å; D142-F144 PolarHBondContact O-N 2.8Å; D142-F144 VanDerWaalsContact OD1-CB 3.25Å; D142-F144 WeakPolarHBondContact OD1-CB 3.43Å; D142-F144 PolarHBondContact OD1-N 3.38Å
145F91.1Very high88.8Confident0 Ų033.8 Ų33.80%017%0.168CC..SBendtrans-77-26.3-178-68.9-75.7000114.3V72 L87 K89 L92 L138 L139 D142 P143 H205V72-F145 HydrophobicContact CG2-CE2 3.81Å; V72-F145 HydrophobicContact CG2-CZ 3.63Å; L87-F145 HydrophobicContact CD1-CE1 4.47Å; L87-F145 HydrophobicContact CD1-CZ 4.13Å; K89-F145 WeakPolarHBondContact CE-O 3.25Å; K89-F145 HydrophobicContact CG-CD1 4.08Å; K89-F145 HydrophobicContact CG-CE1 4.45Å; K89-F145 PolarHBondContact NZ-O 3.34Å; K89-F145 VanDerWaalsContact NZ-O 3.13Å; L92-F145 HydrophobicContact CB-CE1 3.97Å; L92-F145 HydrophobicContact CD1-CE1 3.7Å; L92-F145 HydrophobicContact CD1-CZ 3.57Å; L92-F145 HydrophobicContact CG-CE1 4.47Å; L138-F145 HydrophobicContact CB-CE2 3.87Å; L138-F145 HydrophobicContact CB-CZ 4.3Å; L138-F145 VanDerWaalsContact O-CD2 3.3Å; L138-F145 WeakPolarHBondContact O-CD2 3.23Å; L139-F145 HydrophobicContact CD2-CB 3.94Å; L139-F145 HydrophobicContact CD2-CD1 3.66Å; L139-F145 HydrophobicContact CD2-CD2 4.48Å; L139-F145 HydrophobicContact CD2-CE1 4.32Å; L139-F145 HydrophobicContact CD2-CG 3.76Å; D142-F145 HydrophobicContact CB-CD2 3.87Å; D142-F145 HydrophobicContact CB-CE2 3.91Å; D142-F145 WeakPolarHBondContact O-CD2 3.45Å; D142-F145 PolarHBondContact O-N 2.81Å; P143-F145 PolarHBondContact O-N 2.79Å; F145-H205 PolarHBondContact O-CD2 3.4Å; F145-H205 VanDerWaalsContact O-CD2 3.28Å; F145-H205 PolarHBondContact O-NE2 2.81Å
146M90.4Very high87.6Confident10 Ų1039.1 Ų39.15%0.04919%0.19CC..SBendtrans-61.1163.9-178.9-71.1-173.4-68.900114.5K89 P143 T178 M202 H205K89-M146 PolarHBondContact NZ-O 3Å; P143-M146 VanDerWaalsContact CA-CE 3.46Å; P143-M146 HydrophobicContact CB-CE 3.49Å; P143-M146 VanDerWaalsContact CB-CE 3.49Å; P143-M146 HydrophobicContact CG-CE 4.23Å; M146-T178 HydrophobicContact CE-CG2 3.99Å; M146-T178 HydrophobicContact SD-CG2 4.05Å; M146-M202 HydrophobicContact CG-CE 4.28Å; M146-M202 HydrophobicContact SD-CE 4.1Å; M146-H205 PolarHBondContact O-NE2 3.29Å
147P90.6Very high86.2Confident12 Ų1241.8 Ų41.88%0.07823%0.225CC..PPolyproline II helixtrans-61.6167.7164.6-3.79.9000112.9L171 I201 M202 H205P147-L171 HydrophobicContact CB-CD1 4.26Å; P147-L171 HydrophobicContact CB-CG 4.13Å; P147-L171 HydrophobicContact CG-CD1 3.92Å; P147-L171 HydrophobicContact CG-CD2 4.22Å; P147-L171 HydrophobicContact CG-CG 4.08Å; P147-I201 HydrophobicContact CB-CG2 3.91Å; P147-I201 HydrophobicContact CG-CG2 3.85Å; P147-M202 WeakPolarHBondContact CD-SD 3.31Å; P147-M202 HydrophobicContact CG-SD 3.81Å; P147-H205 HydrophobicContact CB-CB 4.33Å; P147-H205 HydrophobicContact CG-CB 3.72Å
148E89.6Confident84.4Confident123 Ų12348.9 Ų48.958%0.57525%0.251SS*.PPolyproline II helixtrans-67.8140.3176-68.1-162.5151.400112.4R170 L171E148-R170 HydrophobicContact CB-CG 4.06Å; E148-R170 CarbonylContact O-C 3.42Å; E148-R170 WeakPolarHBondContact O-CA 3.27Å; E148-R170 WeakPolarHBondContact O-CB 3.27Å; E148-R170 IonicContact OE2-CZ 3.74Å; E148-R170 IonicContact OE2-NE 3.87Å; E148-R170 PolarHBondContact OE2-NE 3.25Å; E148-R170 IonicContact OE2-NH2 3.25Å; E148-R170 PolarHBondContact OE2-NH2 3.37Å; E148-L171 PolarHBondContact O-N 2.82Å
149I89.5Confident82.2Confident28 Ų2858.1 Ų58.114%0.14429%0.294CS..BIsolated β-bridgetrans-91.4137.2176.4-60.7177.3000110.2K151 L171 I173 E175I149-K151 PolarHBondContact O-N 3.49Å; I149-L171 HydrophobicContact CG1-CB 4.2Å; I149-L171 HydrophobicContact CG1-CD1 4.44Å; I149-I173 WeakPolarHBondContact CG2-O 3.42Å; I149-E175 HydrophobicContact CD1-CB 3.86Å; I149-E175 HydrophobicContact CD1-CG 4.22Å; I149-E175 HydrophobicContact CG2-CB 4.2Å
150C88.3Confident80.3Confident4 Ų462.9 Ų62.93%0.02732%0.316CS..  trans-71.2109.4-178.3-175.70000111.6I152 Y153 R170 L171 H172C150-I152 PolarHBondContact O-N 3.28Å; C150-Y153 PolarHBondContact O-N 3.37Å; C150-R170 HydrophobicContact CB-CB 3.89Å; C150-L171 WeakPolarHBondContact CB-O 3.34Å; C150-L171 PolarHBondContact N-O 3.07Å; C150-H172 VanDerWaalsContact CB-CD2 3.48Å; C150-H172 WeakPolarHBondContact CB-CD2 3.48Å
151K84.2Confident78.6Confident165 Ų16568 Ų6872%0.71734%0.342SS*.SBendtrans-69.3-21.2177.4-63180-178.2175.30113.5I149 K154I149-K151 PolarHBondContact O-N 3.49Å; K151-K154 PolarHBondContact O-NZ 3.38Å
152I80.5Confident77.2Confident63 Ų6368.1 Ų68.132%0.32334%0.343SS..SBendtrans-71.9-44.3177.2-58.1173.2000109.4C150 K154C150-I152 PolarHBondContact O-N 3.28Å; I152-K154 WeakPolarHBondContact O-CD 3.47Å; I152-K154 WeakPolarHBondContact O-CE 3.34Å; I152-K154 VanDerWaalsContact O-CG 3.31Å; I152-K154 WeakPolarHBondContact O-CG 3.36Å; I152-K154 PolarHBondContact O-N 2.67Å; I152-K154 VanDerWaalsContact O-N 3.16Å
153Y80.5Confident75.7Confident13 Ų1374.2 Ų74.25%0.05138%0.376CS..  trans-54.8116.8178175.2-109.7000112.3C150 G155 E156 H172 R189 S190C150-Y153 PolarHBondContact O-N 3.37Å; Y153-G155 VanDerWaalsContact CE2-C 3.44Å; Y153-G155 WeakPolarHBondContact CE2-O 3.46Å; Y153-E156 PolarHBondContact OH-N 3.24Å; Y153-H172 VanDerWaalsContact CD1-C 3.5Å; Y153-H172 HydrophobicContact CD1-CB 4.09Å; Y153-H172 HydrophobicContact CD2-CB 3.97Å; Y153-H172 HydrophobicContact CE1-CB 4.26Å; Y153-H172 WeakPolarHBondContact CE1-O 3.43Å; Y153-H172 HydrophobicContact CE2-CB 4.15Å; Y153-H172 HydrophobicContact CG-CB 3.94Å; Y153-R189 HydrophobicContact CD1-CG 4.02Å; Y153-R189 HydrophobicContact CE1-CB 3.75Å; Y153-R189 HydrophobicContact CE1-CG 3.66Å; Y153-R189 PolarHBondContact O-NE 2.93Å; Y153-R189 PolarHBondContact O-NH2 3.28Å; Y153-S190 PolarHBondContact OH-N 3.49Å
154K78.3Confident74.3Confident96 Ų9677 Ų7742%0.41739%0.386SS..  trans-103.4-20.4179.7-53.3-49178.6-167.60113.6K151 I152 R189K151-K154 PolarHBondContact O-NZ 3.38Å; I152-K154 WeakPolarHBondContact O-CD 3.47Å; I152-K154 WeakPolarHBondContact O-CE 3.34Å; I152-K154 VanDerWaalsContact O-CG 3.31Å; I152-K154 WeakPolarHBondContact O-CG 3.36Å; I152-K154 PolarHBondContact O-N 2.67Å; I152-K154 VanDerWaalsContact O-N 3.16Å; K154-R189 WeakPolarHBondContact O-CG 3.31Å
155G75.2Confident72.6Confident7 Ų783.1 Ų83.17%0.07242%0.416CS..  trans157.4173177.800000113.4Y153 L188Y153-G155 VanDerWaalsContact CE2-C 3.44Å; Y153-G155 WeakPolarHBondContact CE2-O 3.46Å; G155-L188 CarbonylContact C-O 3.11Å; G155-L188 WeakPolarHBondContact CA-O 3.31Å
156E66.6Low71.4Confident127 Ų12788.6 Ų88.659%0.59345%0.451SS*.THydrogen-bonded Turntrans-70.5151.6167-73.1165.9-15100110.1Y153 R158 L188 S190Y153-E156 PolarHBondContact OH-N 3.24Å; E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 3.41Å; E156-L188 PolarHBondContact N-O 2.95Å; E156-S190 WeakPolarHBondContact OE1-CB 3.35Å; E156-S190 PolarHBondContact OE1-OG 3.11Å
157G62.3Low70.6Confident92 Ų9293.6 Ų93.695%0.94848%0.484SS*.THydrogen-bonded Turntrans71.46.6176.800000117.4
158R56.6Low70Confident148 Ų14894.1 Ų94.156%0.55849%0.488SS*.SBendtrans-108.9137.3173.3-65.4-168.9179.8-134.4-0.7111.6E156 Q160 I161E156-R158 VanDerWaalsContact C-N 3.31Å; E156-R158 PolarHBondContact O-N 3.41Å; R158-Q160 CarbonylContact O-C 3.56Å; R158-Q160 PolarHBondContact O-N 2.82Å; R158-I161 PolarHBondContact O-N 2.83Å
159Q48Very low69.6Low194 Ų19492.5 Ų92.591%0.90749%0.49SS*.SBendtrans-57.3-17.1-176.4-71.6174.5-27.600115.1I161Q159-I161 PolarHBondContact O-N 3.35Å
160Q53.7Low69.5Low125 Ų12596.4 Ų96.458%0.58450%0.503SS*.  trans-76.357.2166.7-70.2-99.3-50.300111.2R158R158-Q160 CarbonylContact O-C 3.56Å; R158-Q160 PolarHBondContact O-N 2.82Å
161I57.5Low69.5Low112 Ų11296.2 Ų96.257%0.57450%0.502SS*.  trans-64.2148.3159.5-59.1172.6000107R158 Q159 N163R158-I161 PolarHBondContact O-N 2.83Å; Q159-I161 PolarHBondContact O-N 3.35Å; I161-N163 VanDerWaalsContact CB-OD1 3.32Å; I161-N163 WeakPolarHBondContact CB-OD1 3.45Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.26Å; I161-N163 PolarHBondContact O-N 3.32Å; I161-N163 PolarHBondContact O-OD1 3.13Å
162C63.9Low69.8Low12 Ų1291.3 Ų91.38%0.08148%0.481CS..  trans-74.677.3177-160.20000110.4Q164 C168 H172C162-Q164 PolarHBondContact O-N 3.34Å; C162-C168 HydrophobicContact CB-CB 4.14Å; C162-H172 VanDerWaalsContact CB-CE1 3.46Å; C162-H172 WeakPolarHBondContact CB-CE1 3.42Å; C162-H172 VanDerWaalsContact CB-NE2 3.3Å; C162-H172 WeakPolarHBondContact CB-NE2 3.5Å
163N60.6Low70.2Confident130 Ų13088.3 Ų88.370%0.69547%0.466SS*.  trans-75.944.5-177.5-65.1-7.4000112.1I161I161-N163 VanDerWaalsContact CB-OD1 3.32Å; I161-N163 WeakPolarHBondContact CB-OD1 3.45Å; I161-N163 WeakPolarHBondContact CG2-OD1 3.26Å; I161-N163 PolarHBondContact O-N 3.32Å; I161-N163 PolarHBondContact O-OD1 3.13Å
164Q61.5Low70.7Confident91 Ų9187.8 Ų87.843%0.42546%0.464SS..  trans-82.2132.6173-65.8-170-42.200109.4C162 P166 P167C162-Q164 PolarHBondContact O-N 3.34Å; Q164-P166 CarbonylContact C-O 3.52Å; Q164-P166 VanDerWaalsContact C-O 3.24Å; Q164-P166 CarbonylContact O-C 3.31Å; Q164-P167 WeakPolarHBondContact O-CA 3.44Å
165Q55.3Low71.3Confident194 Ų19486.4 Ų86.491%0.90746%0.459SS*.SBendtrans-108.2129.5159.2-73.1-175.5-17.300107.1
166P65.9Low72.1Confident115 Ų11590.1 Ų90.175%0.74747%0.474SS*.SBendcis-60.4159.9-8.229-36.7000112.7Q164Q164-P166 CarbonylContact C-O 3.52Å; Q164-P166 VanDerWaalsContact C-O 3.24Å; Q164-P166 CarbonylContact O-C 3.31Å
167P73.1Confident73.3Confident114 Ų11484.1 Ų84.174%0.7445%0.446SS*.  trans-55.3140.9-175.421.8-34.1000112.8Q164 S169Q164-P167 WeakPolarHBondContact O-CA 3.44Å; P167-S169 PolarHBondContact O-N 2.95Å; P167-S169 VanDerWaalsContact O-N 3.08Å
168C79.5Confident74.6Confident23 Ų2380.1 Ų80.116%0.15540%0.403CS..  trans-60.4109.5-173.2177.90000113C162 R170 H172C162-C168 HydrophobicContact CB-CB 4.14Å; C168-R170 PolarHBondContact O-N 2.97Å; C168-H172 PolarHBondContact SG-NE2 2.78Å; C168-H172 VanDerWaalsContact SG-NE2 3.44Å
169S81.4Confident76.1Confident89 Ų8978.8 Ų78.862%0.62240%0.398SS*.  trans-75.96.717555.40000114.7P167P167-S169 PolarHBondContact O-N 2.95Å; P167-S169 VanDerWaalsContact O-N 3.08Å
170R86.5Confident78Confident110 Ų11070 Ų7042%0.41536%0.36SS..SBendtrans-102145.4177.3-65.7-175.1168.1113.2-3111.8E148 C150 C168 H172E148-R170 HydrophobicContact CB-CG 4.06Å; E148-R170 CarbonylContact O-C 3.42Å; E148-R170 WeakPolarHBondContact O-CA 3.27Å; E148-R170 WeakPolarHBondContact O-CB 3.27Å; E148-R170 IonicContact OE2-CZ 3.74Å; E148-R170 IonicContact OE2-NE 3.87Å; E148-R170 PolarHBondContact OE2-NE 3.25Å; E148-R170 IonicContact OE2-NH2 3.25Å; E148-R170 PolarHBondContact OE2-NH2 3.37Å; C150-R170 HydrophobicContact CB-CB 3.89Å; C168-R170 PolarHBondContact O-N 2.97Å; R170-H172 PolarHBondContact O-CD2 2.91Å; R170-H172 PolarHBondContact O-N 2.91Å
171L89.3Confident79.7Confident0 Ų067.3 Ų67.30%035%0.349CS..BIsolated β-bridgetrans-62.3130-177.2-61.9-177.2000112.9P147 E148 I149 C150 I173 V198 I201 M202P147-L171 HydrophobicContact CB-CD1 4.26Å; P147-L171 HydrophobicContact CB-CG 4.13Å; P147-L171 HydrophobicContact CG-CD1 3.92Å; P147-L171 HydrophobicContact CG-CD2 4.22Å; P147-L171 HydrophobicContact CG-CG 4.08Å; E148-L171 PolarHBondContact O-N 2.82Å; I149-L171 HydrophobicContact CG1-CB 4.2Å; I149-L171 HydrophobicContact CG1-CD1 4.44Å; C150-L171 WeakPolarHBondContact CB-O 3.34Å; C150-L171 PolarHBondContact N-O 3.07Å; L171-I173 VanDerWaalsContact C-N 3.28Å; L171-I173 HydrophobicContact CB-CB 4.41Å; L171-I173 HydrophobicContact CB-CG1 4.31Å; L171-I173 PolarHBondContact O-N 3.11Å; L171-V198 HydrophobicContact CD2-CB 4.5Å; L171-V198 HydrophobicContact CD2-CG1 3.92Å; L171-I201 HydrophobicContact CD2-CB 3.89Å; L171-I201 HydrophobicContact CD2-CD1 4.21Å; L171-I201 HydrophobicContact CD2-CG2 3.73Å; L171-I201 HydrophobicContact CG-CG2 4.46Å; L171-M202 HydrophobicContact CD1-CE 3.62Å; L171-M202 HydrophobicContact CD1-SD 4.24Å
172H88.8Confident81.3Confident62 Ų6262.1 Ų62.129%0.28732%0.323SS..  trans-90.458.5173.4-71-177.1000111.1C150 Y153 C162 C168 R170C150-H172 VanDerWaalsContact CB-CD2 3.48Å; C150-H172 WeakPolarHBondContact CB-CD2 3.48Å; Y153-H172 VanDerWaalsContact CD1-C 3.5Å; Y153-H172 HydrophobicContact CD1-CB 4.09Å; Y153-H172 HydrophobicContact CD2-CB 3.97Å; Y153-H172 HydrophobicContact CE1-CB 4.26Å; Y153-H172 WeakPolarHBondContact CE1-O 3.43Å; Y153-H172 HydrophobicContact CE2-CB 4.15Å; Y153-H172 HydrophobicContact CG-CB 3.94Å; C162-H172 VanDerWaalsContact CB-CE1 3.46Å; C162-H172 WeakPolarHBondContact CB-CE1 3.42Å; C162-H172 VanDerWaalsContact CB-NE2 3.3Å; C162-H172 WeakPolarHBondContact CB-NE2 3.5Å; C168-H172 PolarHBondContact SG-NE2 2.78Å; C168-H172 VanDerWaalsContact SG-NE2 3.44Å; R170-H172 PolarHBondContact O-CD2 2.91Å; R170-H172 PolarHBondContact O-N 2.91Å
173I90.2Very high82.5Confident1 Ų171.7 Ų71.71%0.00536%0.357CS..SBendtrans-125.2156.5-172.1-67.7-67.6000110.9I149 L171 E175 T178 N192 L193 V198I149-I173 WeakPolarHBondContact CG2-O 3.42Å; L171-I173 VanDerWaalsContact C-N 3.28Å; L171-I173 HydrophobicContact CB-CB 4.41Å; L171-I173 HydrophobicContact CB-CG1 4.31Å; L171-I173 PolarHBondContact O-N 3.11Å; I173-E175 PolarHBondContact O-N 3.16Å; I173-T178 HydrophobicContact CG2-CG2 3.64Å; I173-N192 WeakPolarHBondContact CD1-O 3.23Å; I173-L193 HydrophobicContact CB-CD2 4.49Å; I173-L193 HydrophobicContact CD1-CD2 4.07Å; I173-L193 HydrophobicContact CG1-CD2 3.96Å; I173-L193 HydrophobicContact CG2-CD2 3.85Å; I173-V198 HydrophobicContact CD1-CG2 4.03Å; I173-V198 HydrophobicContact CG1-CG1 4.45Å; I173-V198 HydrophobicContact CG1-CG2 4.01Å
174C91.3Very high83.7Confident1 Ų171.9 Ų71.91%0.00735%0.352CS..  trans-68.1107.9170.8-170.30000112.3H176 F177 T178 C187 R189 S190C174-H176 PolarHBondContact O-N 3.25Å; C174-H176 VanDerWaalsContact O-N 3.16Å; C174-F177 HydrophobicContact CB-CB 3.73Å; C174-F177 WeakPolarHBondContact O-CB 3.47Å; C174-F177 PolarHBondContact O-N 2.64Å; C174-T178 PolarHBondContact O-N 2.79Å; C174-C187 VanDerWaalsContact SG-SG 3.6Å; C174-R189 HydrophobicContact CB-CB 3.62Å; C174-S190 PolarHBondContact N-O 2.85Å
175E90.7Very high84.7Confident68 Ų6871.8 Ų71.832%0.31836%0.36SS..Hα-helixtrans-57.2-27.8173.7177.9167.6-139.300113.4I149 I173 T178 R179I149-E175 HydrophobicContact CD1-CB 3.86Å; I149-E175 HydrophobicContact CD1-CG 4.22Å; I149-E175 HydrophobicContact CG2-CB 4.2Å; I173-E175 PolarHBondContact O-N 3.16Å; E175-T178 PolarHBondContact O-OG1 2.82Å; E175-R179 VanDerWaalsContact CG-NE 3.34Å; E175-R179 WeakPolarHBondContact O-CB 3.32Å; E175-R179 VanDerWaalsContact O-CD 3.29Å; E175-R179 WeakPolarHBondContact O-CD 3.33Å; E175-R179 WeakPolarHBondContact O-CG 3.42Å; E175-R179 PolarHBondContact O-N 3.33Å; E175-R179 IonicContact OE1-CZ 3.33Å; E175-R179 IonicContact OE1-NE 3.39Å; E175-R179 PolarHBondContact OE1-NE 3.48Å; E175-R179 IonicContact OE1-NH2 2.65Å; E175-R179 PolarHBondContact OE1-NH2 3.19Å
176H90.7Very high86Confident84 Ų8469.9 Ų69.939%0.38936%0.356SS..Hα-helixtrans-75.8-30.8175.2-68-79.7000113C174 G180 N181 C182C174-H176 PolarHBondContact O-N 3.25Å; C174-H176 VanDerWaalsContact O-N 3.16Å; H176-G180 PolarHBondContact O-N 3.23Å; H176-N181 VanDerWaalsContact CA-OD1 3.31Å; H176-N181 WeakPolarHBondContact CA-OD1 3.44Å; H176-N181 WeakPolarHBondContact CB-OD1 3.22Å; H176-N181 PolarHBondContact ND1-OD1 2.85Å; H176-N181 CarbonylContact O-C 3.49Å; H176-N181 PolarHBondContact O-N 2.97Å; H176-N181 PolarHBondContact O-OD1 2.91Å; H176-C182 HydrophobicContact CB-CB 3.97Å; H176-C182 PolarHBondContact O-N 3.45Å
177F92Very high87Confident1 Ų166 Ų660%0.00433%0.331CS..Hα-helixtrans-67.3-51.6176.9173.9-108.4000110.7C174 R179 G180 C182 H191 C219 N220 H223C174-F177 HydrophobicContact CB-CB 3.73Å; C174-F177 WeakPolarHBondContact O-CB 3.47Å; C174-F177 PolarHBondContact O-N 2.64Å; F177-R179 VanDerWaalsContact C-N 3.26Å; F177-R179 PolarHBondContact O-N 2.66Å; F177-G180 WeakPolarHBondContact O-CA 3.45Å; F177-G180 PolarHBondContact O-N 2.92Å; F177-C182 HydrophobicContact CB-CB 4.38Å; F177-H191 VanDerWaalsContact CB-CD2 3.47Å; F177-H191 WeakPolarHBondContact CB-CD2 3.35Å; F177-H191 HydrophobicContact CD1-CB 4.01Å; F177-H191 HydrophobicContact CD2-CB 3.99Å; F177-H191 AromaticContact CD2-CD2 3.9Å; F177-H191 AromaticContact CD2-CE1 3.83Å; F177-H191 AromaticContact CD2-CG 3.56Å; F177-H191 AromaticContact CD2-ND1 3.52Å; F177-H191 HydrophobicContact CE1-CB 4.04Å; F177-H191 WeakPolarHBondContact CE1-O 3.47Å; F177-H191 HydrophobicContact CE2-CB 4.02Å; F177-H191 AromaticContact CE2-ND1 3.96Å; F177-H191 HydrophobicContact CG-CB 3.99Å; F177-H191 AromaticContact CG-CD2 3.63Å; F177-H191 AromaticContact CG-CG 3.64Å; F177-H191 HydrophobicContact CZ-CB 4.05Å; F177-C219 HydrophobicContact CD1-CB 4.04Å; F177-C219 HydrophobicContact CD2-CB 4.37Å; F177-C219 HydrophobicContact CE1-CB 3.45Å; F177-C219 VanDerWaalsContact CE1-CB 3.45Å; F177-C219 HydrophobicContact CE2-CB 3.83Å; F177-C219 HydrophobicContact CG-CB 4.46Å; F177-C219 HydrophobicContact CZ-CB 3.33Å; F177-N220 WeakPolarHBondContact CZ-OD1 3.43Å; F177-H223 HydrophobicContact CD2-CB 4.03Å; F177-H223 HydrophobicContact CE2-CB 3.89Å
178T90.4Very high87.5Confident8 Ų865.3 Ų65.35%0.04932%0.321CS..Hα-helixtrans-67.1-27.3-179.261.90000112.9P143 M146 I173 C174 E175 G180 L193P143-T178 WeakPolarHBondContact CG-O 3.45Å; M146-T178 HydrophobicContact CE-CG2 3.99Å; M146-T178 HydrophobicContact SD-CG2 4.05Å; I173-T178 HydrophobicContact CG2-CG2 3.64Å; C174-T178 PolarHBondContact O-N 2.79Å; E175-T178 PolarHBondContact O-OG1 2.82Å; T178-G180 PolarHBondContact O-N 2.91Å; T178-L193 HydrophobicContact CG2-CD2 4.1Å
179R88.5Confident87.9Confident120 Ų12067.5 Ų67.545%0.45333%0.326SS..THydrogen-bonded Turntrans-77.82.1168.9-68.4173.4-179.2-147.96.9114.1E175 F177 N181E175-R179 VanDerWaalsContact CG-NE 3.34Å; E175-R179 WeakPolarHBondContact O-CB 3.32Å; E175-R179 VanDerWaalsContact O-CD 3.29Å; E175-R179 WeakPolarHBondContact O-CD 3.33Å; E175-R179 WeakPolarHBondContact O-CG 3.42Å; E175-R179 PolarHBondContact O-N 3.33Å; E175-R179 IonicContact OE1-CZ 3.33Å; E175-R179 IonicContact OE1-NE 3.39Å; E175-R179 PolarHBondContact OE1-NE 3.48Å; E175-R179 IonicContact OE1-NH2 2.65Å; E175-R179 PolarHBondContact OE1-NH2 3.19Å; F177-R179 VanDerWaalsContact C-N 3.26Å; F177-R179 PolarHBondContact O-N 2.66Å; R179-N181 PolarHBondContact O-N 3.19Å
180G87.5Confident88.3Confident9 Ų964.5 Ų64.59%0.09330%0.304CS..THydrogen-bonded Turntrans60.528.8-177.300000113.8H176 F177 T178 K226H176-G180 PolarHBondContact O-N 3.23Å; F177-G180 WeakPolarHBondContact O-CA 3.45Å; F177-G180 PolarHBondContact O-N 2.92Å; T178-G180 PolarHBondContact O-N 2.91Å; G180-K226 PolarHBondContact O-NZ 3.46Å
181N90.1Very high88.5Confident69 Ų6960.9 Ų60.937%0.36929%0.292SS..  trans-130.513.5-176.176.619.4000115.5H176 R179 R183H176-N181 VanDerWaalsContact CA-OD1 3.31Å; H176-N181 WeakPolarHBondContact CA-OD1 3.44Å; H176-N181 WeakPolarHBondContact CB-OD1 3.22Å; H176-N181 PolarHBondContact ND1-OD1 2.85Å; H176-N181 CarbonylContact O-C 3.49Å; H176-N181 PolarHBondContact O-N 2.97Å; H176-N181 PolarHBondContact O-OD1 2.91Å; R179-N181 PolarHBondContact O-N 3.19Å; N181-R183 PolarHBondContact O-N 3.37Å
182C90.9Very high88.6Confident3 Ų364.6 Ų64.62%0.0231%0.312CS..  trans-66.6121.8171.3-166.40000111.6H176 F177 H223 N227H176-C182 HydrophobicContact CB-CB 3.97Å; H176-C182 PolarHBondContact O-N 3.45Å; F177-C182 HydrophobicContact CB-CB 4.38Å; C182-H223 PolarHBondContact O-ND1 3.12Å; C182-N227 PolarHBondContact O-ND2 3.14Å
183R88.1Confident88.7Confident213 Ų21361.6 Ų61.680%0.80430%0.298SS*.  trans-104.619177.6-59.2-175.3179.2-171.7-1.6113.2N181 N227N181-R183 PolarHBondContact O-N 3.37Å; R183-N227 WeakPolarHBondContact CA-OD1 3.05Å; R183-N227 PolarHBondContact O-OD1 2.92Å
184F85.9Confident88.8Confident134 Ų13464.2 Ų64.259%0.58831%0.311SS*.  trans-114.1108-179.8-60.9-73.7000108.2N186 C187 H223 N227F184-N186 VanDerWaalsContact C-N 3.29Å; F184-N186 PolarHBondContact O-N 2.64Å; F184-C187 HydrophobicContact CB-CB 4.04Å; F184-C187 PolarHBondContact O-N 2.65Å; F184-H223 PolarHBondContact O-CE1 3.09Å; F184-H223 VanDerWaalsContact O-CE1 3.24Å; F184-N227 PolarHBondContact N-OD1 3.27Å
185P82.1Confident88.8Confident89 Ų8967.1 Ų67.158%0.57833%0.326SS*.THydrogen-bonded Turntrans-57.6-45.4177.7-21.730.2000111.3N227P185-N227 HydrophobicContact CB-CB 4.44Å; P185-N227 WeakPolarHBondContact CD-OD1 3.22Å; P185-N227 HydrophobicContact CG-CB 4.14Å
186N83.9Confident88.7Confident154 Ų15474.4 Ų74.482%0.82435%0.351SS*.THydrogen-bonded Turntrans-103.275.3172.7-62-7.7000108.8F184F184-N186 VanDerWaalsContact C-N 3.29Å; F184-N186 PolarHBondContact O-N 2.64Å
187C86.9Confident88.5Confident33 Ų3378.1 Ų78.122%0.22337%0.366CS..  trans-71.8134.2178-161.50000111.2C174 F184 R189 H191C174-C187 VanDerWaalsContact SG-SG 3.6Å; F184-C187 HydrophobicContact CB-CB 4.04Å; F184-C187 PolarHBondContact O-N 2.65Å; C187-R189 PolarHBondContact O-N 3.04Å; C187-H191 VanDerWaalsContact CB-CE1 3.46Å; C187-H191 WeakPolarHBondContact CB-CE1 3.33Å; C187-H191 WeakPolarHBondContact CB-NE2 3.34Å
188L83.4Confident88.4Confident101 Ų10178.4 Ų78.453%0.52937%0.368SS..SBendtrans-67.9-21.6177.8-61.1177.3000113.3G155 E156G155-L188 CarbonylContact C-O 3.11Å; G155-L188 WeakPolarHBondContact CA-O 3.31Å; E156-L188 PolarHBondContact N-O 2.95Å
189R87.4Confident88.4Confident69 Ų6979.7 Ų79.726%0.2637%0.374SS..SBendtrans-94.1135.7176-73.9-169.3-178.4107.6-9.2110.1Y153 K154 C174 C187 H191Y153-R189 HydrophobicContact CD1-CG 4.02Å; Y153-R189 HydrophobicContact CE1-CB 3.75Å; Y153-R189 HydrophobicContact CE1-CG 3.66Å; Y153-R189 PolarHBondContact O-NE 2.93Å; Y153-R189 PolarHBondContact O-NH2 3.28Å; K154-R189 WeakPolarHBondContact O-CG 3.31Å; C174-R189 HydrophobicContact CB-CB 3.62Å; C187-R189 PolarHBondContact O-N 3.04Å; R189-H191 PolarHBondContact O-CD2 2.97Å; R189-H191 VanDerWaalsContact O-CD2 3.26Å; R189-H191 PolarHBondContact O-N 3.24Å
190S89.4Confident88.4Confident25 Ų2576.7 Ų76.718%0.17538%0.375CS..  trans-53136.1-178.4-148.40000112.7Y153 E156 C174Y153-S190 PolarHBondContact OH-N 3.49Å; E156-S190 WeakPolarHBondContact OE1-CB 3.35Å; E156-S190 PolarHBondContact OE1-OG 3.11Å; C174-S190 PolarHBondContact N-O 2.85Å
191H91.1Very high88.6Confident35 Ų3577.7 Ų77.716%0.16238%0.378CS..  trans-103.14.1172.6-70.5-177.9000111.6F177 C187 R189 Q216 H223F177-H191 VanDerWaalsContact CB-CD2 3.47Å; F177-H191 WeakPolarHBondContact CB-CD2 3.35Å; F177-H191 HydrophobicContact CD1-CB 4.01Å; F177-H191 HydrophobicContact CD2-CB 3.99Å; F177-H191 AromaticContact CD2-CD2 3.9Å; F177-H191 AromaticContact CD2-CE1 3.83Å; F177-H191 AromaticContact CD2-CG 3.56Å; F177-H191 AromaticContact CD2-ND1 3.52Å; F177-H191 HydrophobicContact CE1-CB 4.04Å; F177-H191 WeakPolarHBondContact CE1-O 3.47Å; F177-H191 HydrophobicContact CE2-CB 4.02Å; F177-H191 AromaticContact CE2-ND1 3.96Å; F177-H191 HydrophobicContact CG-CB 3.99Å; F177-H191 AromaticContact CG-CD2 3.63Å; F177-H191 AromaticContact CG-CG 3.64Å; F177-H191 HydrophobicContact CZ-CB 4.05Å; C187-H191 VanDerWaalsContact CB-CE1 3.46Å; C187-H191 WeakPolarHBondContact CB-CE1 3.33Å; C187-H191 WeakPolarHBondContact CB-NE2 3.34Å; R189-H191 PolarHBondContact O-CD2 2.97Å; R189-H191 VanDerWaalsContact O-CD2 3.26Å; R189-H191 PolarHBondContact O-N 3.24Å; H191-Q216 PolarHBondContact O-NE2 3.01Å; H191-Q216 PolarHBondContact O-OE1 2.85Å; H191-Q216 VanDerWaalsContact O-OE1 3.09Å; H191-H223 AromaticContact CE1-CD2 3.84Å; H191-H223 AromaticContact CE1-CE1 3.69Å; H191-H223 AromaticContact CE1-NE2 3.35Å; H191-H223 PolarHBondContact CE1-NE2 2.85Å; H191-H223 AromaticContact ND1-CD2 3.69Å; H191-H223 AromaticContact ND1-NE2 3.55Å
192N91.3Very high88.6Confident77 Ų7774.4 Ų74.441%0.41236%0.36SS..  trans-94.298.6-175.1-177.113.6000112.4I173 M194 D195I173-N192 WeakPolarHBondContact CD1-O 3.23Å; N192-M194 PolarHBondContact O-N 3.07Å; N192-M194 WeakPolarHBondContact OD1-CA 3.47Å; N192-M194 WeakPolarHBondContact OD1-CB 3.14Å; N192-M194 PolarHBondContact OD1-N 3.25Å; N192-D195 PolarHBondContact OD1-N 3.14Å
193L91.6Very high88.6Confident0 Ų082.6 Ų82.60%039%0.391CS..THydrogen-bonded Turntrans-74-14172.8-57.8177000113.5I173 T178 D195 V198 M202 V212 I215 Q216I173-L193 HydrophobicContact CB-CD2 4.49Å; I173-L193 HydrophobicContact CD1-CD2 4.07Å; I173-L193 HydrophobicContact CG1-CD2 3.96Å; I173-L193 HydrophobicContact CG2-CD2 3.85Å; T178-L193 HydrophobicContact CG2-CD2 4.1Å; L193-D195 VanDerWaalsContact C-N 3.32Å; L193-V198 HydrophobicContact CB-CG1 4.46Å; L193-V198 HydrophobicContact CD2-CG1 4.38Å; L193-V198 VanDerWaalsContact O-CG1 3.26Å; L193-V198 WeakPolarHBondContact O-CG1 3.42Å; L193-M202 HydrophobicContact CD2-CE 4.01Å; L193-V212 HydrophobicContact CB-CG1 3.68Å; L193-I215 HydrophobicContact CD1-CB 4.14Å; L193-I215 HydrophobicContact CD1-CG2 3.53Å; L193-Q216 HydrophobicContact CD1-CB 4.42Å; L193-Q216 VanDerWaalsContact CG-OE1 3.29Å
194M91.1Very high88.6Confident56 Ų5679.2 Ų79.228%0.27638%0.384SS..THydrogen-bonded Turntrans-90.37.6179.7-52.2-53.2-71.100113N192 L199 V212 Q213 Q216N192-M194 PolarHBondContact O-N 3.07Å; N192-M194 WeakPolarHBondContact OD1-CA 3.47Å; N192-M194 WeakPolarHBondContact OD1-CB 3.14Å; N192-M194 PolarHBondContact OD1-N 3.25Å; M194-L199 HydrophobicContact CB-CD1 4.5Å; M194-L199 HydrophobicContact CE-CD1 4.27Å; M194-L199 HydrophobicContact CE-CD2 4.03Å; M194-L199 WeakPolarHBondContact O-CD1 3.47Å; M194-L199 HydrophobicContact SD-CD2 4.05Å; M194-V212 HydrophobicContact SD-CB 4.25Å; M194-V212 HydrophobicContact SD-CG1 3.91Å; M194-Q213 HydrophobicContact CE-CB 3.95Å; M194-Q213 HydrophobicContact SD-CB 4.11Å; M194-Q216 HydrophobicContact CG-CG 4.45Å
195D90.8Very high88.8Confident61 Ų6174.9 Ų74.933%0.32637%0.366SS..SBendtrans-59.4143.2167.7166.863.5000111.4N192 L193 K197 V198 L199N192-D195 PolarHBondContact OD1-N 3.14Å; L193-D195 VanDerWaalsContact C-N 3.32Å; D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 3.02Å; D195-K197 WeakPolarHBondContact OD2-CA 3.02Å; D195-K197 VanDerWaalsContact OD2-CB 3.25Å; D195-K197 WeakPolarHBondContact OD2-CB 3.26Å; D195-K197 PolarHBondContact OD2-N 3.38Å; D195-V198 HydrophobicContact CB-CB 4.23Å; D195-V198 HydrophobicContact CB-CG2 4.07Å; D195-V198 PolarHBondContact O-N 2.82Å; D195-V198 VanDerWaalsContact O-N 3.12Å; D195-V198 PolarHBondContact OD2-N 3.14Å; D195-V198 VanDerWaalsContact OD2-N 3.12Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 WeakPolarHBondContact O-CG 3.49Å; D195-L199 PolarHBondContact O-N 3.44Å
196R89.3Confident89Confident221 Ų22172.4 Ų72.483%0.83436%0.356SS*.Hα-helixtrans-59.2-34-176.3-173.8177.4177.8-171.90.4113.3A200R196-A200 PolarHBondContact O-N 2.94Å
197K85.9Confident89.4Confident162 Ų16265.3 Ų65.370%0.70432%0.318SS*.Hα-helixtrans-79.1-37.4178.2-57174.8-178.91730110.8D195 A200 I201D195-K197 VanDerWaalsContact C-N 3.28Å; D195-K197 PolarHBondContact O-N 3.02Å; D195-K197 WeakPolarHBondContact OD2-CA 3.02Å; D195-K197 VanDerWaalsContact OD2-CB 3.25Å; D195-K197 WeakPolarHBondContact OD2-CB 3.26Å; D195-K197 PolarHBondContact OD2-N 3.38Å; K197-A200 PolarHBondContact O-N 3.11Å; K197-I201 WeakPolarHBondContact O-CG1 3.41Å; K197-I201 PolarHBondContact O-N 3.46Å
198V89.8Confident89.5Confident7 Ų767.8 Ų67.84%0.04233%0.329CS..Hα-helixtrans-63.8-48.8174176.10000111L171 I173 L193 D195 A200 I201 M202L171-V198 HydrophobicContact CD2-CB 4.5Å; L171-V198 HydrophobicContact CD2-CG1 3.92Å; I173-V198 HydrophobicContact CD1-CG2 4.03Å; I173-V198 HydrophobicContact CG1-CG1 4.45Å; I173-V198 HydrophobicContact CG1-CG2 4.01Å; L193-V198 HydrophobicContact CB-CG1 4.46Å; L193-V198 HydrophobicContact CD2-CG1 4.38Å; L193-V198 VanDerWaalsContact O-CG1 3.26Å; L193-V198 WeakPolarHBondContact O-CG1 3.42Å; D195-V198 HydrophobicContact CB-CB 4.23Å; D195-V198 HydrophobicContact CB-CG2 4.07Å; D195-V198 PolarHBondContact O-N 2.82Å; D195-V198 VanDerWaalsContact O-N 3.12Å; D195-V198 PolarHBondContact OD2-N 3.14Å; D195-V198 VanDerWaalsContact OD2-N 3.12Å; V198-A200 VanDerWaalsContact C-N 3.27Å; V198-A200 PolarHBondContact O-N 3.4Å; V198-I201 PolarHBondContact O-N 2.87Å; V198-I201 VanDerWaalsContact O-N 3.16Å; V198-M202 HydrophobicContact CG1-CE 4.15Å; V198-M202 HydrophobicContact CG1-CG 4.11Å; V198-M202 VanDerWaalsContact O-CG 3.28Å; V198-M202 WeakPolarHBondContact O-CG 3.48Å; V198-M202 PolarHBondContact O-N 2.63Å
199L91.8Very high89.9Confident35 Ų3564.2 Ų64.218%0.18331%0.312CS..Hα-helixtrans-59.9-34.3177-72.8173.7000113M194 D195 R203 P209 V212M194-L199 HydrophobicContact CB-CD1 4.5Å; M194-L199 HydrophobicContact CE-CD1 4.27Å; M194-L199 HydrophobicContact CE-CD2 4.03Å; M194-L199 WeakPolarHBondContact O-CD1 3.47Å; M194-L199 HydrophobicContact SD-CD2 4.05Å; D195-L199 WeakPolarHBondContact O-CB 3.44Å; D195-L199 WeakPolarHBondContact O-CG 3.49Å; D195-L199 PolarHBondContact O-N 3.44Å; L199-R203 VanDerWaalsContact O-CB 3.31Å; L199-R203 WeakPolarHBondContact O-CB 3.17Å; L199-R203 PolarHBondContact O-N 3.08Å; L199-P209 HydrophobicContact CD2-CB 4.27Å; L199-P209 HydrophobicContact CD2-CG 4.44Å; L199-V212 HydrophobicContact CD2-CB 3.97Å; L199-V212 HydrophobicContact CD2-CG1 3.88Å; L199-V212 HydrophobicContact CD2-CG2 4.26Å
200A89Confident90.1Very high57 Ų5766 Ų6647%0.47133%0.327SS..Hα-helixtrans-63.7-49.2173.500000111.8R196 K197 V198 M202 R203 E204R196-A200 PolarHBondContact O-N 2.94Å; K197-A200 PolarHBondContact O-N 3.11Å; V198-A200 VanDerWaalsContact C-N 3.27Å; V198-A200 PolarHBondContact O-N 3.4Å; A200-M202 PolarHBondContact O-N 3.4Å; A200-R203 PolarHBondContact O-N 3.41Å; A200-E204 PolarHBondContact O-N 2.91Å
201I90.3Very high90.2Very high31 Ų3166 Ų6616%0.15933%0.325CS..Hα-helixtrans-64.9-38.7177.7-61.9165.8000111P147 L171 K197 V198 H205P147-I201 HydrophobicContact CB-CG2 3.91Å; P147-I201 HydrophobicContact CG-CG2 3.85Å; L171-I201 HydrophobicContact CD2-CB 3.89Å; L171-I201 HydrophobicContact CD2-CD1 4.21Å; L171-I201 HydrophobicContact CD2-CG2 3.73Å; L171-I201 HydrophobicContact CG-CG2 4.46Å; K197-I201 WeakPolarHBondContact O-CG1 3.41Å; K197-I201 PolarHBondContact O-N 3.46Å; V198-I201 PolarHBondContact O-N 2.87Å; V198-I201 VanDerWaalsContact O-N 3.16Å; I201-H205 VanDerWaalsContact O-CB 3.24Å; I201-H205 WeakPolarHBondContact O-CB 3.37Å; I201-H205 PolarHBondContact O-N 2.85Å
202M91.4Very high90.3Very high0 Ų064.3 Ų64.30%032%0.318CS..Hα-helixtrans-62.3-43.9174.7-68.9-65.8-165.100111.7M146 P147 L171 L193 V198 A200 H205 G206 L207 V212M146-M202 HydrophobicContact CG-CE 4.28Å; M146-M202 HydrophobicContact SD-CE 4.1Å; P147-M202 WeakPolarHBondContact CD-SD 3.31Å; P147-M202 HydrophobicContact CG-SD 3.81Å; L171-M202 HydrophobicContact CD1-CE 3.62Å; L171-M202 HydrophobicContact CD1-SD 4.24Å; L193-M202 HydrophobicContact CD2-CE 4.01Å; V198-M202 HydrophobicContact CG1-CE 4.15Å; V198-M202 HydrophobicContact CG1-CG 4.11Å; V198-M202 VanDerWaalsContact O-CG 3.28Å; V198-M202 WeakPolarHBondContact O-CG 3.48Å; V198-M202 PolarHBondContact O-N 2.63Å; A200-M202 PolarHBondContact O-N 3.4Å; M202-H205 WeakPolarHBondContact O-CB 3.41Å; M202-H205 PolarHBondContact O-N 2.94Å; M202-G206 PolarHBondContact O-N 3.32Å; M202-G206 VanDerWaalsContact O-N 3.11Å; M202-L207 CarbonylContact C-O 3.57Å; M202-L207 HydrophobicContact CB-CB 4.32Å; M202-L207 PolarHBondContact O-N 2.87Å; M202-L207 HydrophobicContact SD-CD1 3.77Å; M202-V212 HydrophobicContact CB-CG2 3.74Å; M202-V212 HydrophobicContact CE-CG1 4.49Å; M202-V212 HydrophobicContact CG-CG1 4.29Å; M202-V212 HydrophobicContact CG-CG2 3.86Å
203R90.8Very high90.5Very high175 Ų17563.5 Ų63.566%0.6631%0.311SS*.Hα-helixtrans-64-47177.3-173.2-176.1-65-161.6-2.7111.7L199 A200 H205 G206 L207L199-R203 VanDerWaalsContact O-CB 3.31Å; L199-R203 WeakPolarHBondContact O-CB 3.17Å; L199-R203 PolarHBondContact O-N 3.08Å; A200-R203 PolarHBondContact O-N 3.41Å; R203-H205 PolarHBondContact O-N 3.19Å; R203-G206 PolarHBondContact O-N 3.4Å; R203-G206 VanDerWaalsContact O-N 3.09Å; R203-L207 WeakPolarHBondContact CA-O 3.17Å
204E88.4Confident90.6Very high142 Ų14263.7 Ų63.766%0.66431%0.313SS*.Hα-helixtrans-60.9-30.7174.9-166-164.9148.700111.9R95 A200R95-E204 PolarHBondContact NH1-O 2.7Å; A200-E204 PolarHBondContact O-N 2.91Å
205H88.8Confident90.7Very high43 Ų4361.5 Ų61.520%0.19930%0.302CS..Hα-helixtrans-74.6-24.9176.7-167.375.5000113.5K89 L93 R95 F145 M146 P147 I201 M202 R203K89-H205 VanDerWaalsContact CE-CE1 3.44Å; K89-H205 WeakPolarHBondContact CE-CE1 3.43Å; K89-H205 WeakPolarHBondContact CE-NE2 3.11Å; K89-H205 PolarHBondContact NZ-CE1 3.11Å; K89-H205 VanDerWaalsContact NZ-CE1 3.32Å; K89-H205 PolarHBondContact NZ-NE2 2.82Å; L93-H205 WeakPolarHBondContact CD1-NE2 3.49Å; R95-H205 WeakPolarHBondContact CD-O 3.28Å; R95-H205 VanDerWaalsContact NH1-CA 3.26Å; R95-H205 PolarHBondContact NH1-O 3.4Å; F145-H205 PolarHBondContact O-CD2 3.4Å; F145-H205 VanDerWaalsContact O-CD2 3.28Å; F145-H205 PolarHBondContact O-NE2 2.81Å; M146-H205 PolarHBondContact O-NE2 3.29Å; P147-H205 HydrophobicContact CB-CB 4.33Å; P147-H205 HydrophobicContact CG-CB 3.72Å; I201-H205 VanDerWaalsContact O-CB 3.24Å; I201-H205 WeakPolarHBondContact O-CB 3.37Å; I201-H205 PolarHBondContact O-N 2.85Å; M202-H205 WeakPolarHBondContact O-CB 3.41Å; M202-H205 PolarHBondContact O-N 2.94Å; R203-H205 PolarHBondContact O-N 3.19Å
206G87.5Confident90.9Very high36 Ų3659.2 Ų59.237%0.37129%0.289SS..THydrogen-bonded Turntrans112.821.2179.800000114.5M202 R203M202-G206 PolarHBondContact O-N 3.32Å; M202-G206 VanDerWaalsContact O-N 3.11Å; R203-G206 PolarHBondContact O-N 3.4Å; R203-G206 VanDerWaalsContact O-N 3.09Å
207L90.6Very high91.1Very high5 Ų549.7 Ų49.73%0.02626%0.255CS..  trans-109.7124.7177.8-63.5171.9000110.6L93 L139 M202 R203 V211 V212L93-L207 HydrophobicContact CD2-CD2 3.88Å; L93-L207 HydrophobicContact CD2-CG 4.29Å; L139-L207 HydrophobicContact CB-CD2 4.37Å; L139-L207 HydrophobicContact CD2-CD2 4.03Å; M202-L207 CarbonylContact C-O 3.57Å; M202-L207 HydrophobicContact CB-CB 4.32Å; M202-L207 PolarHBondContact O-N 2.87Å; M202-L207 HydrophobicContact SD-CD1 3.77Å; R203-L207 WeakPolarHBondContact CA-O 3.17Å; L207-V211 HydrophobicContact CD2-CG1 4.49Å; L207-V212 HydrophobicContact CB-CG2 4.23Å
208N90.2Very high91.4Very high86 Ų8642.3 Ų42.346%0.4622%0.223SC..  trans-69.3134.9174.4-179.320.5000110.5D210 V211 V212N208-D210 PolarHBondContact ND2-OD2 2.78Å; N208-D210 PolarHBondContact O-N 2.81Å; N208-D210 PolarHBondContact OD1-OD2 3.05Å; N208-V211 HydrophobicContact CB-CG2 4.25Å; N208-V211 WeakPolarHBondContact O-CA 3.41Å; N208-V211 WeakPolarHBondContact O-CB 3.5Å; N208-V211 PolarHBondContact O-N 3.04Å; N208-V212 PolarHBondContact O-N 2.72Å; N208-V212 VanDerWaalsContact O-N 3.09Å
209P92.4Very high91.5Very high26 Ų2642.3 Ų42.317%0.16922%0.223CC..Hα-helixtrans-38.7-39.7171-37.235.4000116.9L199 V211 V212 Q213L199-P209 HydrophobicContact CD2-CB 4.27Å; L199-P209 HydrophobicContact CD2-CG 4.44Å; P209-V211 VanDerWaalsContact C-N 3.33Å; P209-V211 PolarHBondContact O-N 3.16Å; P209-V212 CarbonylContact O-C 3.47Å; P209-V212 WeakPolarHBondContact O-CA 3.42Å; P209-V212 WeakPolarHBondContact O-CB 3.41Å; P209-V212 PolarHBondContact O-N 3.47Å; P209-Q213 PolarHBondContact O-N 3.34Å
210D90.5Very high91.5Very high107 Ų10743.6 Ų43.657%0.57223%0.23SC*.Hα-helixtrans-64.5-38.5178.8-47.1-46.4000112.1N208 V212 Q213 N214N208-D210 PolarHBondContact ND2-OD2 2.78Å; N208-D210 PolarHBondContact O-N 2.81Å; N208-D210 PolarHBondContact OD1-OD2 3.05Å; D210-V212 VanDerWaalsContact C-N 3.32Å; D210-Q213 PolarHBondContact O-N 2.96Å; D210-N214 PolarHBondContact O-N 2.77Å; D210-N214 PolarHBondContact O-OD1 2.66Å
211V92.2Very high91.6Very high23 Ų2342.1 Ų42.114%0.13922%0.216CC..Hα-helixtrans-68.6-33.9172.9-178.40000110.4L139 Q140 L207 N208 P209 N214 I215L139-V211 HydrophobicContact CB-CG1 4.39Å; Q140-V211 HydrophobicContact CB-CG1 4.12Å; L207-V211 HydrophobicContact CD2-CG1 4.49Å; N208-V211 HydrophobicContact CB-CG2 4.25Å; N208-V211 WeakPolarHBondContact O-CA 3.41Å; N208-V211 WeakPolarHBondContact O-CB 3.5Å; N208-V211 PolarHBondContact O-N 3.04Å; P209-V211 VanDerWaalsContact C-N 3.33Å; P209-V211 PolarHBondContact O-N 3.16Å; V211-N214 PolarHBondContact O-N 2.98Å; V211-I215 HydrophobicContact CG1-CD1 4.34Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.18Å; V211-I215 PolarHBondContact O-N 2.67Å
212V93.7Very high91.6Very high0 Ų041.6 Ų41.60%021%0.213CC..Hα-helixtrans-67.3-37.4173.7-173.60000111.3L193 M194 L199 M202 L207 N208 P209 D210 I215 Q216L193-V212 HydrophobicContact CB-CG1 3.68Å; M194-V212 HydrophobicContact SD-CB 4.25Å; M194-V212 HydrophobicContact SD-CG1 3.91Å; L199-V212 HydrophobicContact CD2-CB 3.97Å; L199-V212 HydrophobicContact CD2-CG1 3.88Å; L199-V212 HydrophobicContact CD2-CG2 4.26Å; M202-V212 HydrophobicContact CB-CG2 3.74Å; M202-V212 HydrophobicContact CE-CG1 4.49Å; M202-V212 HydrophobicContact CG-CG1 4.29Å; M202-V212 HydrophobicContact CG-CG2 3.86Å; L207-V212 HydrophobicContact CB-CG2 4.23Å; N208-V212 PolarHBondContact O-N 2.72Å; N208-V212 VanDerWaalsContact O-N 3.09Å; P209-V212 CarbonylContact O-C 3.47Å; P209-V212 WeakPolarHBondContact O-CA 3.42Å; P209-V212 WeakPolarHBondContact O-CB 3.41Å; P209-V212 PolarHBondContact O-N 3.47Å; D210-V212 VanDerWaalsContact C-N 3.32Å; V212-I215 PolarHBondContact O-N 2.78Å; V212-Q216 WeakPolarHBondContact O-CB 3.36Å; V212-Q216 PolarHBondContact O-N 3.02Å
213Q93.8Very high91.6Very high60 Ų6042.2 Ų42.228%0.2822%0.216SC..Hα-helixtrans-65.2-39.4172.3-173.959.758.500111.4R20 M194 P209 D210 Q216 D217R20-Q213 PolarHBondContact NH2-O 2.92Å; M194-Q213 HydrophobicContact CE-CB 3.95Å; M194-Q213 HydrophobicContact SD-CB 4.11Å; P209-Q213 PolarHBondContact O-N 3.34Å; D210-Q213 PolarHBondContact O-N 2.96Å; Q213-Q216 WeakPolarHBondContact O-CB 3.42Å; Q213-Q216 PolarHBondContact O-N 3.14Å; Q213-D217 VanDerWaalsContact NE2-CG 3.27Å; Q213-D217 PolarHBondContact NE2-OD1 3.07Å; Q213-D217 VanDerWaalsContact NE2-OD1 3.1Å; Q213-D217 PolarHBondContact NE2-OD2 2.85Å; Q213-D217 PolarHBondContact O-N 2.83Å
214N93.9Very high91.4Very high5 Ų538.2 Ų38.23%0.02721%0.206CC..Hα-helixtrans-60.3-45.5170.8-66.3-9.9000111.7G18 R20 V65 Q140 D210 V211 Q216 D217 I218G18-N214 PolarHBondContact O-ND2 2.87Å; G18-N214 VanDerWaalsContact O-ND2 3.11Å; R20-N214 VanDerWaalsContact CZ-OD1 3.24Å; R20-N214 PolarHBondContact NE-OD1 3.25Å; R20-N214 PolarHBondContact NH2-OD1 2.89Å; V65-N214 HydrophobicContact CG1-CB 4.08Å; Q140-N214 HydrophobicContact CB-CB 4.08Å; Q140-N214 HydrophobicContact CG-CB 4.46Å; Q140-N214 PolarHBondContact OE1-ND2 2.76Å; D210-N214 PolarHBondContact O-N 2.77Å; D210-N214 PolarHBondContact O-OD1 2.66Å; V211-N214 PolarHBondContact O-N 2.98Å; N214-Q216 VanDerWaalsContact C-N 3.35Å; N214-Q216 PolarHBondContact O-N 3.08Å; N214-D217 PolarHBondContact O-N 2.86Å; N214-I218 WeakPolarHBondContact O-CB 3.24Å; N214-I218 WeakPolarHBondContact O-CD1 3.2Å; N214-I218 WeakPolarHBondContact O-CG1 3.42Å; N214-I218 PolarHBondContact O-N 3.49Å
215I94.3Very high91.2Very high9 Ų935.8 Ų35.85%0.04619%0.194CC..Hα-helixtrans-61.5-43.3175.4-63.4161.5000110.8Q140 L193 V211 V212 D217 C219Q140-I215 HydrophobicContact CB-CG1 4.04Å; L193-I215 HydrophobicContact CD1-CB 4.14Å; L193-I215 HydrophobicContact CD1-CG2 3.53Å; V211-I215 HydrophobicContact CG1-CD1 4.34Å; V211-I215 VanDerWaalsContact O-CG1 3.27Å; V211-I215 WeakPolarHBondContact O-CG1 3.18Å; V211-I215 PolarHBondContact O-N 2.67Å; V212-I215 PolarHBondContact O-N 2.78Å; I215-D217 PolarHBondContact O-N 3.02Å; I215-C219 WeakPolarHBondContact O-CB 3.35Å; I215-C219 PolarHBondContact O-N 3Å; I215-C219 PolarHBondContact O-SG 3.48Å
216Q94.4Very high90.9Very high14 Ų1439.4 Ų39.47%0.06521%0.209CC..Hα-helixtrans-56.7-49.6178.1-179.263.948.700110.9H191 L193 M194 V212 Q213 N214 C219 N220H191-Q216 PolarHBondContact O-NE2 3.01Å; H191-Q216 PolarHBondContact O-OE1 2.85Å; H191-Q216 VanDerWaalsContact O-OE1 3.09Å; L193-Q216 HydrophobicContact CD1-CB 4.42Å; L193-Q216 VanDerWaalsContact CG-OE1 3.29Å; M194-Q216 HydrophobicContact CG-CG 4.45Å; V212-Q216 WeakPolarHBondContact O-CB 3.36Å; V212-Q216 PolarHBondContact O-N 3.02Å; Q213-Q216 WeakPolarHBondContact O-CB 3.42Å; Q213-Q216 PolarHBondContact O-N 3.14Å; N214-Q216 VanDerWaalsContact C-N 3.35Å; N214-Q216 PolarHBondContact O-N 3.08Å; Q216-C219 PolarHBondContact O-N 3.18Å; Q216-N220 PolarHBondContact NE2-OD1 3.38Å; Q216-N220 WeakPolarHBondContact O-CB 3.2Å; Q216-N220 PolarHBondContact O-N 3.13Å; Q216-N220 PolarHBondContact O-ND2 2.85Å
217D93.1Very high90.6Very high21 Ų2138.7 Ų38.711%0.11220%0.197CC..Hα-helixtrans-73.8-35.7-174.9-64.3-32.3000112.7R20 L52 Q213 N214 I215 C219 N220 S221R20-D217 IonicContact CZ-OD2 2.78Å; R20-D217 IonicContact NH1-OD2 2.72Å; R20-D217 PolarHBondContact NH1-OD2 2.88Å; R20-D217 IonicContact NH2-OD2 3.16Å; R20-D217 PolarHBondContact NH2-OD2 2.87Å; L52-D217 HydrophobicContact CD1-CB 3.64Å; L52-D217 HydrophobicContact CD2-CB 4.11Å; Q213-D217 VanDerWaalsContact NE2-CG 3.27Å; Q213-D217 PolarHBondContact NE2-OD1 3.07Å; Q213-D217 VanDerWaalsContact NE2-OD1 3.1Å; Q213-D217 PolarHBondContact NE2-OD2 2.85Å; Q213-D217 PolarHBondContact O-N 2.83Å; N214-D217 PolarHBondContact O-N 2.86Å; I215-D217 PolarHBondContact O-N 3.02Å; D217-C219 VanDerWaalsContact C-N 3.31Å; D217-C219 PolarHBondContact O-N 2.66Å; D217-N220 PolarHBondContact O-N 2.73Å; D217-N220 PolarHBondContact OD1-ND2 2.89Å; D217-S221 WeakPolarHBondContact O-CB 3.38Å; D217-S221 PolarHBondContact O-N 2.82Å
218I93.1Very high89.8Confident7 Ų742.9 Ų42.94%0.03623%0.225CC..Hα-helixtrans-61.3-41.1169.8-67.4163.8000110.5V50 V65 Q140 N214 K222V50-I218 HydrophobicContact CG2-CG1 4.46Å; V65-I218 HydrophobicContact CG1-CD1 3.86Å; V65-I218 HydrophobicContact CG1-CG1 3.86Å; Q140-I218 HydrophobicContact CB-CD1 4.24Å; Q140-I218 HydrophobicContact CG-CD1 3.96Å; Q140-I218 WeakPolarHBondContact O-CD1 3.49Å; N214-I218 WeakPolarHBondContact O-CB 3.24Å; N214-I218 WeakPolarHBondContact O-CD1 3.2Å; N214-I218 WeakPolarHBondContact O-CG1 3.42Å; N214-I218 PolarHBondContact O-N 3.49Å; I218-K222 HydrophobicContact CG2-CD 4.07Å; I218-K222 WeakPolarHBondContact O-CB 3.49Å; I218-K222 VanDerWaalsContact O-CG 3.31Å; I218-K222 WeakPolarHBondContact O-CG 3.42Å; I218-K222 PolarHBondContact O-N 2.98Å; I218-K222 VanDerWaalsContact O-N 3.14Å
219C92.4Very high88.5Confident7 Ų744 Ų445%0.04724%0.237CC..Hα-helixtrans-72.4-39.3177.6-65.70000112.2F177 I215 Q216 D217 K222 H223F177-C219 HydrophobicContact CD1-CB 4.04Å; F177-C219 HydrophobicContact CD2-CB 4.37Å; F177-C219 HydrophobicContact CE1-CB 3.45Å; F177-C219 VanDerWaalsContact CE1-CB 3.45Å; F177-C219 HydrophobicContact CE2-CB 3.83Å; F177-C219 HydrophobicContact CG-CB 4.46Å; F177-C219 HydrophobicContact CZ-CB 3.33Å; I215-C219 WeakPolarHBondContact O-CB 3.35Å; I215-C219 PolarHBondContact O-N 3Å; I215-C219 PolarHBondContact O-SG 3.48Å; Q216-C219 PolarHBondContact O-N 3.18Å; D217-C219 VanDerWaalsContact C-N 3.31Å; D217-C219 PolarHBondContact O-N 2.66Å; C219-K222 PolarHBondContact O-N 2.93Å; C219-H223 WeakPolarHBondContact O-CB 3.48Å; C219-H223 PolarHBondContact O-N 3.35Å
220N91.3Very high86.7Confident61 Ų6145.3 Ų45.333%0.32626%0.255SS..Hα-helixtrans-56.1-53.8172.8-74.9-20.6000110.5F177 Q216 D217 K222 H223 M224F177-N220 WeakPolarHBondContact CZ-OD1 3.43Å; Q216-N220 PolarHBondContact NE2-OD1 3.38Å; Q216-N220 WeakPolarHBondContact O-CB 3.2Å; Q216-N220 PolarHBondContact O-N 3.13Å; Q216-N220 PolarHBondContact O-ND2 2.85Å; D217-N220 PolarHBondContact O-N 2.73Å; D217-N220 PolarHBondContact OD1-ND2 2.89Å; N220-K222 PolarHBondContact O-N 3.44Å; N220-H223 PolarHBondContact O-N 3.39Å; N220-H223 VanDerWaalsContact O-N 3.14Å; N220-M224 WeakPolarHBondContact O-CG 3.47Å; N220-M224 PolarHBondContact O-N 3.2Å
221S90.9Very high84.4Confident26 Ų2646.6 Ų46.618%0.18227%0.269CS..Hα-helixtrans-58.3-47179.3-179.20000111.9D217 H223 M224 Q225D217-S221 WeakPolarHBondContact O-CB 3.38Å; D217-S221 PolarHBondContact O-N 2.82Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 3.31Å; S221-M224 PolarHBondContact O-N 3Å; S221-Q225 VanDerWaalsContact O-CG 3.27Å; S221-Q225 WeakPolarHBondContact O-CG 3.3Å; S221-Q225 PolarHBondContact O-N 2.92Å; S221-Q225 PolarHBondContact O-NE2 2.94Å; S221-Q225 PolarHBondContact OG-NE2 3.16Å
222K90.1Very high81.8Confident21 Ų2157.2 Ų57.29%0.09131%0.307CS..Hα-helixtrans-70.4-21.3179.4-68176.5-169.5-166.80113.3D47 T67 I218 C219 N220D47-K222 VanDerWaalsContact OD1-CE 3.29Å; D47-K222 WeakPolarHBondContact OD1-CE 3.44Å; D47-K222 IonicContact OD1-NZ 3.05Å; D47-K222 PolarHBondContact OD1-NZ 3.25Å; T67-K222 PolarHBondContact OG1-NZ 3.46Å; I218-K222 HydrophobicContact CG2-CD 4.07Å; I218-K222 WeakPolarHBondContact O-CB 3.49Å; I218-K222 VanDerWaalsContact O-CG 3.31Å; I218-K222 WeakPolarHBondContact O-CG 3.42Å; I218-K222 PolarHBondContact O-N 2.98Å; I218-K222 VanDerWaalsContact O-N 3.14Å; C219-K222 PolarHBondContact O-N 2.93Å; N220-K222 PolarHBondContact O-N 3.44Å
223H90.5Very high78.9Confident12 Ų1261.2 Ų61.26%0.05634%0.34CS..Hα-helixtrans-79.5-44.7172-175.945.2000111.6F177 C182 F184 H191 C219 N220 S221 K226 N227F177-H223 HydrophobicContact CD2-CB 4.03Å; F177-H223 HydrophobicContact CE2-CB 3.89Å; C182-H223 PolarHBondContact O-ND1 3.12Å; F184-H223 PolarHBondContact O-CE1 3.09Å; F184-H223 VanDerWaalsContact O-CE1 3.24Å; H191-H223 AromaticContact CE1-CD2 3.84Å; H191-H223 AromaticContact CE1-CE1 3.69Å; H191-H223 AromaticContact CE1-NE2 3.35Å; H191-H223 PolarHBondContact CE1-NE2 2.85Å; H191-H223 AromaticContact ND1-CD2 3.69Å; H191-H223 AromaticContact ND1-NE2 3.55Å; C219-H223 WeakPolarHBondContact O-CB 3.48Å; C219-H223 PolarHBondContact O-N 3.35Å; N220-H223 PolarHBondContact O-N 3.39Å; N220-H223 VanDerWaalsContact O-N 3.14Å; S221-H223 VanDerWaalsContact C-N 3.26Å; S221-H223 PolarHBondContact O-N 3.31Å; H223-K226 PolarHBondContact O-N 2.78Å; H223-K226 VanDerWaalsContact O-N 3.14Å; H223-N227 PolarHBondContact CE1-ND2 3.33Å; H223-N227 VanDerWaalsContact CE1-ND2 3.29Å; H223-N227 PolarHBondContact ND1-ND2 3.04Å; H223-N227 PolarHBondContact O-N 3.23Å; H223-N227 PolarHBondContact O-ND2 3.06Å
224M86.4Confident76.1Confident92 Ų9264 Ų6445%0.45336%0.363SS..Hα-helixtrans-62.9-40.6175.2-68.6-63.398.600112.3N220 S221 K226 N227 P228N220-M224 WeakPolarHBondContact O-CG 3.47Å; N220-M224 PolarHBondContact O-N 3.2Å; S221-M224 PolarHBondContact O-N 3Å; M224-K226 PolarHBondContact O-N 3.38Å; M224-K226 VanDerWaalsContact O-N 3.14Å; M224-N227 CarbonylContact O-C 3.5Å; M224-N227 PolarHBondContact O-N 3.09Å; M224-P228 WeakPolarHBondContact O-CA 3.11Å
225Q84.3Confident73.3Confident90 Ų9068.7 Ų68.742%0.42140%0.396SS..THydrogen-bonded Turntrans-58.7-26.8173.8-72.916550.600113.8S221S221-Q225 VanDerWaalsContact O-CG 3.27Å; S221-Q225 WeakPolarHBondContact O-CG 3.3Å; S221-Q225 PolarHBondContact O-N 2.92Å; S221-Q225 PolarHBondContact O-NE2 2.94Å; S221-Q225 PolarHBondContact OG-NE2 3.16Å
226K83.4Confident70.3Confident119 Ų11973.8 Ų73.852%0.51743%0.433SS..THydrogen-bonded Turntrans-100.5-14.6-178.4-70.1179.8-178.7175.60113.7G180 H223 M224G180-K226 PolarHBondContact O-NZ 3.46Å; H223-K226 PolarHBondContact O-N 2.78Å; H223-K226 VanDerWaalsContact O-N 3.14Å; M224-K226 PolarHBondContact O-N 3.38Å; M224-K226 VanDerWaalsContact O-N 3.14Å
227N82Confident67.6Low21 Ų2181.4 Ų81.411%0.11247%0.468CS..SBendtrans-138.162.3179.2-51.6-98.9000106.2C182 R183 F184 P185 H223 M224C182-N227 PolarHBondContact O-ND2 3.14Å; R183-N227 WeakPolarHBondContact CA-OD1 3.05Å; R183-N227 PolarHBondContact O-OD1 2.92Å; F184-N227 PolarHBondContact N-OD1 3.27Å; P185-N227 HydrophobicContact CB-CB 4.44Å; P185-N227 WeakPolarHBondContact CD-OD1 3.22Å; P185-N227 HydrophobicContact CG-CB 4.14Å; H223-N227 PolarHBondContact CE1-ND2 3.33Å; H223-N227 VanDerWaalsContact CE1-ND2 3.29Å; H223-N227 PolarHBondContact ND1-ND2 3.04Å; H223-N227 PolarHBondContact O-N 3.23Å; H223-N227 PolarHBondContact O-ND2 3.06Å; M224-N227 CarbonylContact O-C 3.5Å; M224-N227 PolarHBondContact O-N 3.09Å
228P73.8Confident65Low93 Ų9391.8 Ų91.860%0.60451%0.506SS*.PPolyproline II helixtrans-57.8136.9-177.724.2-33.8000108.4M224 G230M224-P228 WeakPolarHBondContact O-CA 3.11Å; P228-G230 PolarHBondContact O-N 3.19Å
229P62.8Low62.1Low111 Ų111103.2 Ų103.272%0.72155%0.548SS*.PPolyproline II helixtrans-57.1116.5174.924.2-32.5000107.6
230G54.3Low59.1Low53 Ų53110.5 Ų110.555%0.54659%0.587SS.*PPolyproline II helixtrans-56.2152.4178.300000110P228 R232P228-G230 PolarHBondContact O-N 3.19Å; G230-R232 PolarHBondContact O-N 2.96Å
231P41.1Very low56.4Low134 Ų134116.5 Ų116.587%0.8762%0.615SS**PPolyproline II helixtrans-48.1121.9-179.6-27.534.5000110.1A233P231-A233 VanDerWaalsContact C-N 3.33Å; P231-A233 PolarHBondContact O-N 3.12Å
232R38Very low53.4Low245 Ų245120 Ų12093%0.92565%0.646SS**  trans-61.7100.5173.4-76.8-176177.6173.40.1106.9G230G230-R232 PolarHBondContact O-N 2.96Å
233A33.5Very low50.6Low84 Ų84130 Ų13069%0.69468%0.684SS**  trans-53.4132.616800000107.6P231 S235P231-A233 VanDerWaalsContact C-N 3.33Å; P231-A233 PolarHBondContact O-N 3.12Å; A233-S235 PolarHBondContact O-N 3.35Å
234P33.7Very low47.7Very low119 Ų119141.6 Ų141.677%0.77373%0.728SS**  trans-57.3141.1-177.923.6-33.5000109.7S236P234-S236 PolarHBondContact O-N 3.35Å
235S36.9Very low45Very low104 Ų104141.6 Ų141.673%0.72774%0.742SS**  trans-61.797.9-168.951.40000112.1A233 H237A233-S235 PolarHBondContact O-N 3.35Å; S235-H237 VanDerWaalsContact C-N 3.27Å; S235-H237 PolarHBondContact O-N 3.06Å
236S30.9Very low42.5Very low116 Ų116149.2 Ų149.281%0.81177%0.767SS**  trans-75.475.8177.647.10000111.3P234 R238P234-S236 PolarHBondContact O-N 3.35Å; S236-R238 PolarHBondContact O-N 2.99Å
237H37.6Very low40Very low174 Ų174148.7 Ų148.781%0.80678%0.778SS**  trans-56.5124.4164.5-82.3-10.1000110.4S235S235-H237 VanDerWaalsContact C-N 3.27Å; S235-H237 PolarHBondContact O-N 3.06Å
238R38.3Very low37.7Very low238 Ų238154.7 Ų154.790%0.89880%0.803SS**  trans55.7108.3170.8-63.8-177.6174.4-174.4-0.8117.2S236S236-R238 PolarHBondContact O-N 2.99Å
239R31.9Very low35.6Very low248 Ų248155.9 Ų155.994%0.93681%0.814SS**  -146.5151.6116.6-127.3172.9-74.5-168.9-1111.4
240N30.3Very low34Very low159 Ų159160.8 Ų160.885%0.8582%0.818SS**  trans-82.3168-173.1-85.1-23.8000113.3
241M32.9Very low32.8Very low187 Ų187163 Ų16392%0.92182%0.818SS**  trans-3.7136.1161.3-63.7-178.217400119
242A29.3Very low32.3Very low100 Ų100168.4 Ų168.483%0.82682%0.821SS**  -154.9142.912600000111.6
243Y31.4Very low31.8Very low231 Ų231165.1 Ų165.191%0.90681%0.813SS**  trans-69.5143.8166.2-95.9-118.8000111.1
244R28.9Very low31.4Very low256 Ų256170.2 Ų170.297%0.96682%0.82SS**  trans-164.5127.5133-111.9168.6-169.9-176.74.1112.5
245A30.3Very low31.1Very low91 Ų91172.6 Ų172.675%0.75282%0.821SS**  trans-118.2144173.400000110.6
246R31.3Very low30.6Very low250 Ų250171.1 Ų171.194%0.94382%0.822SS**  trans176160.7167.7-104-174-179.7-178.6-0.1108.4
247S31.8Very low30.5Very low108 Ų108171.1 Ų171.176%0.75582%0.822SS**  cis-173.5148.2-9-176.80000108.5
248K32.2Very low30Very low147 Ų147170.7 Ų170.764%0.63982%0.82SS**  cis-161.3136.7-30.7-168.5-139.9-165.3-1700106D251K248-D251 IonicContact NZ-OD1 2.74Å; K248-D251 PolarHBondContact NZ-OD1 3.09Å; K248-D251 IonicContact NZ-OD2 2.73Å; K248-D251 PolarHBondContact NZ-OD2 2.89Å
249S29.4Very low29.5Very low119 Ų119166.9 Ų166.983%0.83281%0.813SS**  trans-13274.5169.8690000114.1
250R31.1Very low29.2Very low214 Ų214164.8 Ų164.881%0.80881%0.811SS**  trans45.893.9144.8-62.9174.970.4172.81.9120.7
251D28.6Very low29Very low100 Ų100164.1 Ų164.154%0.53581%0.807SS.*  49.7120112.6-46-47.5000121.1K248K248-D251 IonicContact NZ-OD1 2.74Å; K248-D251 PolarHBondContact NZ-OD1 3.09Å; K248-D251 IonicContact NZ-OD2 2.73Å; K248-D251 PolarHBondContact NZ-OD2 2.89Å
252R29.8Very low28.6Very low247 Ų247159.4 Ų159.493%0.93280%0.797SS**  -150.7151.9113.9-120.7176.5-70.5-169.31.7112.4
253F26.8Very low28.5Very low175 Ų175160.7 Ų160.777%0.76880%0.8SS**  trans-79151.8-177.7-83.8-115.6000112.5
254F27.2Very low28.3Very low192 Ų192154 Ų15484%0.84279%0.792SS**  -169.9164.997-116.4-90.3000114.1
255Q26.9Very low28.3Very low168 Ų168147.2 Ų147.279%0.78579%0.785SS**  trans-42.5153.9-179.6-12174.6-10.500117.2
256G25.5Very low28.1Very low73 Ų73147.8 Ų147.875%0.75379%0.789SS**  trans171.688.7163.300000115
257S28.2Very low27.9Very low116 Ų116141.4 Ų141.481%0.81178%0.783SS**  trans-46.4149.4165.546.60000112.7
258Q28.3Very low27.6Very low165 Ų165141.3 Ų141.377%0.77179%0.788SS**  -163.6150.356.9-176.1159.7-6.200113.4
259E27.4Very low27.5Very low158 Ų158141.7 Ų141.774%0.73879%0.792SS**  trans-86.2148.3174.3-58.2171.8126.200111.6
260F26.6Very low27.4Very low204 Ų204146.4 Ų146.490%0.89579%0.792SS**  trans-142.6122.6140.3-100.1-74.8000108.2
261L25.6Very low27Very low146 Ų146141.9 Ų141.976%0.76479%0.793SS**  trans-113.3145.1-175.1-89.2172.6000111.9
262A25Very low26.8Very low87 Ų87142.5 Ų142.572%0.71980%0.804SS**  trans57.2134.8145.800000121
263S25.8Very low26.7Very low128 Ų128137.4 Ų137.490%0.89580%0.801SS**  -142.5125.6122.7-750000109
264A27.2Very low27Very low89 Ų89134.8 Ų134.874%0.73680%0.801SS**  trans-86.8175.4161.400000107.8
265S29.8Very low27.1Very low115 Ų115130.7 Ų130.780%0.80480%0.796SS**  cis-156.5-169.230.8-55.70000108
266A25.6Very low28Very low102 Ų102127.5 Ų127.584%0.84379%0.79SS**  cis-151.3178.68.800000111.3
267S27.8Very low28Very low116 Ų116131.2 Ų131.281%0.81179%0.793SS**  trans-110.1156.4-174.151.80000114.2
268A26.1Very low28.9Very low106 Ų106131 Ų13188%0.87679%0.788SS**  trans-138.1153.7158.100000109.6
269E28.8Very low28.7Very low155 Ų155128 Ų12872%0.72479%0.786SS**  trans-117151.2-164.3-72.6-160.396.100115.7
270R27.8Very low28.6Very low218 Ų218126.1 Ų126.182%0.82379%0.79SS**  trans35.1130.5141.8-59.3173.4-175.3-150.2-4.3121
271S22.8Very low28.6Very low119 Ų119124 Ų12483%0.83278%0.783SS**  -167.4167.7112.644.50000111
272C23.4Very low28.6Very low113 Ų113128.5 Ų128.576%0.76479%0.79SS**  trans-135.9142.1-176.3-60.60000111.8
273T27.4Very low28.6Very low141 Ų141128.1 Ų128.187%0.86579%0.787SS**  trans61.7168.1161.1560000116.7
274P34.6Very low28.5Very low119 Ų119127.3 Ų127.377%0.77378%0.781SS**  cis-128.5-171.1-1.439.7-21.2000114.9
275S28.2Very low28.5Very low106 Ų106130 Ų13074%0.74178%0.782SS**  trans-77.9-176.2156.7-400000110.7
276P45.1Very low28.3Very low101 Ų101132.3 Ų132.366%0.65678%0.78SS**  cis-141.6175.24.144.5-26.7000117.6
277D26.4Very low28.3Very low152 Ų152134.6 Ų134.681%0.81378%0.778SS**  trans57.8-180147.3-64.9-5.6000119.1
278P46.4Very low28.2Very low110 Ų110135.2 Ų135.271%0.71478%0.777SS**  cis-135.4173.6-1.441.3-23.2000118.4
279S25.1Very low29.2Very low104 Ų104135.2 Ų135.273%0.72777%0.769SS**  trans60.3129.2141.965.30000123.4
280S25.4Very low29.1Very low118 Ų118133.6 Ų133.683%0.82577%0.769SS**  -161.5158.499.1-161.20000113.8
281H26.6Very low29.1Very low159 Ų159130.2 Ų130.274%0.73677%0.767SS**  trans-72.8152.5-155.7-64.8-93.5000119.9
282R25.1Very low29.5Very low240 Ų240131 Ų13191%0.90676%0.762SS**  trans48.5155.5134.5-75.1-172.9163.6176.7-5.8121.8
283A25.1Very low30Very low80 Ų80131.9 Ų131.966%0.66176%0.758SS**  cis174154.6-27.100000108.9
284S23.9Very low30.3Very low110 Ų110130.3 Ų130.377%0.76975%0.749SS**  trans-168.4122.8138.9-82.70000113.3
285L26.3Very low30.5Very low145 Ų145131.6 Ų131.676%0.75974%0.744SS**  trans50.5100140.3-68154.2000121.3
286E25.4Very low30.8Very low164 Ų164133 Ų13377%0.76674%0.737SS**  59.8140.3113.4-70.2178.5163.200124.2
287D26Very low30.3Very low150 Ų150135.8 Ų135.880%0.80274%0.739SS**  trans79.2150.2148.6-734.1000124.5
288T26.8Very low30.3Very low129 Ų129134 Ų13479%0.79173%0.734SS**  trans-100.4-176.3-174.964.40000109.2
289P46.3Very low29.4Very low107 Ų107137.8 Ų137.870%0.69574%0.735SS**  cis-143.9-165.35.941.1-18.7000115.8
290V27.5Very low29.5Very low121 Ų121140.3 Ų140.373%0.73374%0.74SS**  trans75129.8155.41780000120.5
291D27.5Very low29.5Very low146 Ų146138 Ų13878%0.78173%0.734SS**  trans47.6150.7152.4-59.8-14.4000127
292D31.2Very low29.6Very low135 Ų135136 Ų13672%0.72274%0.738SS**  trans81.2103.9141.7-110.132.8000124.6
293L34.8Very low29.7Very low132 Ų132133.2 Ų133.269%0.69174%0.735SS**  69.9158.6113.9-121.968.1000124.5
294T33.2Very low29.7Very low108 Ų108136 Ų13666%0.66374%0.74SS**  trans72.7170.4151.762.50000118.8
295H37.8Very low29.8Very low146 Ų146141.7 Ų141.768%0.67674%0.744SS**  cis-118.3171.14.8-84.116.1000110.1
296K34.7Very low29.7Very low137 Ų137139.2 Ų139.260%0.59674%0.744SS**  cis-174.1165.5-15.5-97.6170.7177.8159.90104.3
297F34Very low29.7Very low159 Ų159142.8 Ų142.870%0.69775%0.751SS**  cis-155.6-159.7-5-107.7-29.5000105.3
298T27.2Very low30.8Very low114 Ų114140.6 Ų140.670%0.69975%0.745SS**  cis-151.6128.19.5-27.60000112
299Y28.6Very low31.8Very low190 Ų190139.4 Ų139.475%0.74574%0.74SS**  trans71.9122.2141.5-88.8-137.9000126
300L27.3Very low31Very low157 Ų157139.9 Ų139.982%0.82275%0.745SS**  trans69.6136.7136.4-61.5178.6000124.2
301G25.3Very low30.9Very low69 Ų69137.6 Ų137.671%0.71175%0.747SS**  139.663.4118.100000123
302S28.1Very low31Very low117 Ų117136.5 Ų136.582%0.81875%0.75SS**  trans40.5137.5143.1-57.90000125.9
303Q26.4Very low31.1Very low181 Ų181134.8 Ų134.885%0.84675%0.749SS**  trans76.1123.1137.3-82.4-173.5-6.600125.2
304D26.7Very low30.7Very low140 Ų140138.6 Ų138.675%0.74976%0.76SS**  67.4170.7129.4-119.8-50.1000124.7
305R24.6Very low30.5Very low228 Ų228137 Ų13786%0.8676%0.758SS**  trans-54.3156.2-161.6-80.1158.4159-172.9-3.5121.1
306A23.8Very low30.2Very low93 Ų93136.3 Ų136.377%0.76976%0.764SS**  trans96.8108139.300000122.4
307R25.6Very low30.1Very low239 Ų239136.4 Ų136.490%0.90277%0.771SS**  26.3152.7120.1-141.6-164.4-174.6-167.23.1119.8
308P49.7Very low30.1Very low104 Ų104136.7 Ų136.768%0.67578%0.779SS**  -119.2-138.7-62.844-27.3000108.8
309P48.7Very low30Very low105 Ų105134.9 Ų134.968%0.68278%0.783SS**  cis-130178.9-29.237.5-19.1000115.7
310S28.5Very low30Very low116 Ų116129.4 Ų129.481%0.81178%0.784SS**  trans59.8133.7144.862.50000124.1
311G25.5Very low30Very low74 Ų74128.3 Ų128.376%0.76378%0.784SS**  trans147.2123.5136.100000119.6
312S30.2Very low30.1Very low123 Ų123129.8 Ų129.886%0.8678%0.784SS**  trans62.2158.1154.6-85.10000121.7
313S32.6Very low30.1Very low98 Ų98133.2 Ų133.269%0.68579%0.787SS**  cis-179.9150.3-29.454.80000111.3
314K26.1Very low30.1Very low212 Ų212129.7 Ų129.792%0.92279%0.788SS**  trans-170.7143.9132.2-111.8176-179.7-178.80113.6
315A29.5Very low30.1Very low76 Ų76126.8 Ų126.863%0.62879%0.791SS**  trans-112.2-174.7166.400000109
316T31.6Very low30.2Very low131 Ų131120.5 Ų120.580%0.80479%0.788SS**  171.1161.57235.50000108.9
317D33Very low30.3Very low138 Ų138121.6 Ų121.674%0.73879%0.79SS**  cis-175.5-170.9-24.4-147.9-34.6000109.7
318L34.1Very low30.3Very low166 Ų166121.3 Ų121.387%0.86979%0.789SS**  trans88.1130.1164.7-49.4-180000118.3
319G25.3Very low29.3Very low76 Ų76126.2 Ų126.278%0.78479%0.794SS**  cis167.6155.5-12.500000115.9
320G26.8Very low28.3Very low75 Ų75128.9 Ų128.977%0.77380%0.796SS**  trans85.5150.7164.600000118.3
321T27.6Very low28.2Very low134 Ų134129.6 Ų129.682%0.82279%0.789SS**  cis-160.7155.3-1.5-39.50000112.8
322S27.4Very low28.4Very low100 Ų100133.1 Ų133.170%0.69979%0.786SS**  trans64.2116.1149.453.20000125.3
323Q29.4Very low28.3Very low189 Ų189134 Ų13488%0.88378%0.781SS**  59.7122.3128.3-77.8-177.7-30.900125.3
324A26.6Very low27.9Very low106 Ų106132.2 Ų132.288%0.87678%0.778SS**  49.2134.412500000123.3
325G25.5Very low28Very low79 Ų79127.5 Ų127.581%0.81477%0.772SS**  trans171.2160.8165.400000113.6
326A25.9Very low27.9Very low96 Ų96130.8 Ų130.879%0.79377%0.774SS**  trans-151.5153179.400000114.4
327S27.5Very low27.8Very low116 Ų116132.1 Ų132.181%0.81177%0.771SS**  trans71.4152.4161.1-71.20000121.5
328R25.3Very low27.7Very low233 Ų233131.7 Ų131.788%0.87977%0.769SS**  trans67.6126.6165.1-69.4173.9163.1-160.9-6.6116.7
329R29.2Very low27.5Very low208 Ų208130.8 Ų130.879%0.78576%0.764SS**  78.6130.454.4-90.5-171.5170.9-165.7-0.5114.4
330F26.2Very low27.7Very low161 Ų161133.2 Ų133.271%0.70676%0.759SS**  trans76.7158.8149.7-79.9-43.8000118.1
331L27Very low27.8Very low130 Ų130138.3 Ų138.368%0.68176%0.762SS**  cis-158.5150.417.6-125.7152.4000114.4
332E29.9Very low27.7Very low149 Ų149135.3 Ų135.370%0.69676%0.757SS**  trans84.1154.1133.7-119.7171-133.500129.7
333N27.6Very low27.8Very low141 Ų141138.5 Ų138.575%0.75477%0.767SS**  trans80133.8153-65.6-45.4000122.4
334G25.2Very low29.2Very low60 Ų60135.3 Ų135.362%0.61976%0.763SS**  cis168.1157.7-12.800000117.3
335S27.8Very low29.2Very low113 Ų113133.9 Ų133.979%0.7976%0.758SS**  trans69.4161.1162.279.70000119.8
336Q27.4Very low29.3Very low146 Ų146136.9 Ų136.968%0.68276%0.755SS**  cis-161.2153.2-4.1-133.5167.3-78.400113.8
337E29.8Very low29.4Very low159 Ų159137.4 Ų137.474%0.74375%0.749SS**  trans41.4161.2145.1-74.3155.5-157.500125.1
338D31.3Very low29.5Very low129 Ų129141 Ų14169%0.6975%0.746SS**  cis-175.7-179-28.9-166.315.4000112.1
339L28.2Very low29.6Very low146 Ų146137.4 Ų137.476%0.76474%0.743SS**  trans86158.1161.6-51179.8000121.2
340L30.2Very low29.4Very low128 Ų128131.3 Ų131.367%0.6774%0.737SS**  -169.7161.5-66.9-107.3179.8000114.4
341H29.8Very low29.4Very low181 Ų181128.8 Ų128.884%0.83874%0.74SS**  trans72147.8163-71.937.7000121
342G23.7Very low29.3Very low71 Ų71130 Ų13073%0.73275%0.747SS**  cis166149.5-15.700000118.7
343N29.7Very low29.3Very low167 Ų167127.4 Ų127.489%0.89375%0.745SS**  trans76.3163.5146.4-93.1-1.7000124.6
344P59.3Low29.3Very low123 Ų123127.8 Ų127.880%0.79975%0.753SS**  trans-144-169.4-134.146.7-26.4000119.4
345G25.8Very low30.1Very low75 Ų75130.9 Ų130.977%0.77376%0.762SS**  trans128.5169.2159.100000116.4
346N29.3Very low30.1Very low142 Ų142129.8 Ų129.876%0.75976%0.76SS**  cis-171.4175.8-25.1-167.513.9000110.8
347T27.6Very low31Very low107 Ų107127.9 Ų127.966%0.65676%0.76SS**  trans96.993.2145.5-49.20000123.6
348Y28.3Very low30.8Very low192 Ų192128.6 Ų128.675%0.75376%0.761SS**  50.3135.3121.2-65.5-68.7000128.9
349L27.8Very low30.4Very low157 Ų157131.9 Ų131.982%0.82276%0.764SS**  83118.1126.2-76.5167.5000127.4
350A25.8Very low30.1Very low80 Ų80133.7 Ų133.766%0.66177%0.765SS**  107.6150.2109.400000125.4
351S25.9Very low29.8Very low108 Ų108133 Ų13376%0.75577%0.771SS**  trans81.5127.5160.5-52.20000118.6
352N25.8Very low30.3Very low155 Ų155129.9 Ų129.983%0.82977%0.767SS**  cis80.9142.938.9-71.7-8.8000115.2
353S28.8Very low30.3Very low95 Ų95132.8 Ų132.866%0.66477%0.771SS**  cis174.7139.3-21.453.20000110.9
354T27.6Very low30Very low149 Ų149129.5 Ų129.591%0.91476%0.761SS**  trans-168.8163.6160.517.90000113.2
355P42.3Very low28.4Very low126 Ų126134.2 Ų134.282%0.81876%0.763SS**  trans-129.7-166.8-146.645.5-31.9000119.3
356A26.9Very low28.4Very low89 Ų89137.5 Ų137.574%0.73677%0.768SS**  trans-80.8-169.7-176.500000114.7
357P47.3Very low28.3Very low107 Ų107138.1 Ų138.170%0.69577%0.771SS**  -160.6167.756.644.1-21.8000121.6
358K24.6Very low28.2Very low173 Ų173139.2 Ų139.275%0.75277%0.773SS**  trans62.1161.3145.9-71.6166.4-174173.50119.4
359W23.8Very low28.1Very low199 Ų199138.5 Ų138.575%0.75478%0.777SS**  cis-159.1146.15.6-122.8-11.5000113.1
360K22.4Very low27.9Very low184 Ų184134.6 Ų134.680%0.877%0.774SS**  trans59.2153144.9-67.7-177.1177.2-175.40124.4
361S23.6Very low27.9Very low113 Ų113135.7 Ų135.779%0.7978%0.783SS**  trans-88-165.3-176.1-19.10000113.4
362P39.9Very low27.9Very low116 Ų116140.4 Ų140.475%0.75378%0.784SS**  cis-148-166.82036.9-11.1000119
363T23.6Very low28.1Very low132 Ų132143.1 Ų143.181%0.8178%0.783SS**  trans99.7158.5147.62.90000122.4
364S24.3Very low28Very low97 Ų97147.5 Ų147.568%0.67879%0.79SS**  trans-113.9-177.2-166.858.30000111.8
365W25.6Very low27.9Very low222 Ų222144.8 Ų144.884%0.84177%0.774SS**  cis-171.6143.81.9-131.624.6000108
366T24Very low27.2Very low144 Ų144141.8 Ų141.888%0.88377%0.765SS**  trans-174.2160.7153.917.30000114.1
367N28.6Very low27Very low155 Ų155146.9 Ų146.983%0.82977%0.771SS**  trans-87.5174168.5-66.1-21.4000110.4
368D25.9Very low27Very low130 Ų130147 Ų14770%0.69577%0.772SS**  cis-172.1174.542.9-171.723.3000113.2
369Q25.4Very low28.1Very low177 Ų177144.4 Ų144.483%0.82777%0.773SS**  trans69.8149.9162.2-45.4-165.67.600121.6
370G23.3Very low28.2Very low75 Ų75141 Ų14177%0.77377%0.774SS**  trans-167.3-106.1168.900000119.6
371A26.3Very low28.7Very low103 Ų103139.5 Ų139.585%0.85177%0.774SS**  trans76.4131.2175.400000121.8
372R26.1Very low29.3Very low207 Ų207140 Ų14078%0.78177%0.774SS**  131.1140.4107.1-144.8-175.7-170.8-150.71.5118.7
373R29.3Very low28.6Very low213 Ų213138.5 Ų138.580%0.80477%0.772SS**  trans84.1142.6160.5-49.2-171.7-159.8-140.17.3117.8
374K27.9Very low28.6Very low187 Ų187136.2 Ų136.281%0.81377%0.766SS**  cis-151.4-118.5-27.3-151.3-169.5173.8-92.50114.6
375T25.6Very low28.8Very low92 Ų92139 Ų13956%0.56477%0.773SS**  trans-161.4164.7-156.355.90000111.6
376G26Very low28.8Very low62 Ų62133.8 Ų133.864%0.63977%0.77SS**  cis119.6154.92.700000114.4
377F23.6Very low29Very low197 Ų197131.8 Ų131.886%0.86476%0.762SS**  trans72.6178.8178.7-54.1-77000116.2
378P47.9Very low28.9Very low109 Ų109133 Ų13371%0.70877%0.768SS**  cis-130.9-151.4-4.645.9-27.4000112
379P47.1Very low28.7Very low118 Ų118130.5 Ų130.577%0.76677%0.772SS**  cis-133.9-153.5-1142.9-23.7000115.3
380T25.3Very low28.7Very low127 Ų127127.5 Ų127.578%0.77977%0.771SS**  -165.4164.3-88.1-66.30000111.5
381L32.8Very low28.9Very low153 Ų153130.6 Ų130.680%0.80177%0.769SS**  trans-63.2177.8170.8-62.8155.3000114.6
382P36.7Very low29.1Very low123 Ų123134.2 Ų134.280%0.79977%0.768SS**  -125.9-168.786.742.4-36.2000111.8
383A24.4Very low29.4Very low85 Ų85130.3 Ų130.370%0.70277%0.768SS**  cis-1511666.500000108.9
384A25.3Very low29.8Very low84 Ų84126.2 Ų126.269%0.69477%0.769SS**  cis79.4125.917.300000114.8
385L28.1Very low29.8Very low157 Ų157126.2 Ų126.282%0.82277%0.772SS**  cis-139.3-167.5-2-73.6112.1000109.2
386S25.9Very low29.9Very low111 Ų111125.8 Ų125.878%0.77678%0.777SS**  cis-178.617543.5-70.60000109.4
387S26.6Very low29.9Very low102 Ų102129.3 Ų129.371%0.71379%0.786SS**  cis-171.1172.3-31.4-83.60000108.9
388L26.4Very low30.3Very low182 Ų182125.6 Ų125.695%0.95378%0.78SS**  trans-60.6160.6170.9-11265000112.9
389G23.4Very low29.3Very low76 Ų76127.2 Ų127.278%0.78479%0.787SS**  trans-148.6179.3176.900000114
390S25.5Very low28.6Very low114 Ų114133.5 Ų133.580%0.79780%0.796SS**  trans-161.2156.3169.9-163.60000113.2
391L26.5Very low29Very low140 Ų140137.5 Ų137.573%0.73380%0.802SS**  trans45.4103.4160.7-109.765.8000122.5
392Q30Very low28.9Very low179 Ų179133.7 Ų133.784%0.83680%0.801SS**  56.5140.2122.2-67.5180-19.400123
393T33.8Very low28.7Very low126 Ų126132.8 Ų132.877%0.77380%0.804SS**  trans-86.3169.2179.2520000112.7
394P36.2Very low28.9Very low127 Ų127131.7 Ų131.783%0.82580%0.801SS**  -136.8164.195.238.8-28.5000114.9
395E28.8Very low29.1Very low187 Ų187135.2 Ų135.287%0.87481%0.807SS**  trans-84.3169.9165.5-51.6-176.611800109.4
396A27.3Very low29Very low82 Ų82134.8 Ų134.868%0.67880%0.804SS**  cis-160.4177.819.200000113.3
397V26.1Very low28.9Very low137 Ų137134 Ų13483%0.8380%0.799SS**  trans75.5154.5155.6174.40000118.4
398T32.2Very low29Very low119 Ų119133.4 Ų133.473%0.7380%0.795SS**  trans-52146.9-178.953.90000114.3
399T27.2Very low29.1Very low142 Ų142130.8 Ų130.887%0.87178%0.782SS**  -149.2163.755.235.40000114
400R33.3Very low29.2Very low250 Ų250135.6 Ų135.694%0.94378%0.778SS**  trans-120.1122.6-172-164.7-176.3-163.7-175.66.5111.5
401K31.8Very low29.4Very low211 Ų211139 Ų13992%0.91777%0.773SS**  trans-135151.7163.8-153.6173.7-175.6-179.50107.5
402G31.1Very low29.4Very low74 Ų74138.3 Ų138.376%0.76377%0.77SS**  trans-89.6-166.2-177.800000113.7
403A32.2Very low29.3Very low104 Ų104136 Ų13686%0.8676%0.762SS**  cis-167.2157.2-0.500000112.6
404G29.5Very low29Very low62 Ų62137.6 Ų137.664%0.63977%0.766SS**  95.8157.3125.100000122.2
405L29.6Very low28.5Very low158 Ų158135 Ų13583%0.82776%0.763SS**  trans71152.4157.7-68.365.3000116.9
406L25Very low28.5Very low147 Ų147136.2 Ų136.277%0.7777%0.765SS**  cis-160.2140.3-17.5-99.7169.2000107.2
407S24.5Very low28.4Very low94 Ų94138.1 Ų138.166%0.65777%0.773SS**  90.212791-166.70000119.1
408S29Very low28.5Very low91 Ų91134.3 Ų134.364%0.63676%0.762SS**  trans60.8172.7146.778.60000120.8
409D28.8Very low28.3Very low126 Ų126134.9 Ų134.967%0.67477%0.765SS**  cis-158.3165.214-117.5-40.6000115.8
410Y25.4Very low28.4Very low178 Ų178136.4 Ų136.470%0.69876%0.762SS**  trans64.2159.5151.9-85.6-134.1000122.2
411R28.7Very low28Very low186 Ų186131.1 Ų131.170%0.70275%0.753SS**  cis-173.3-177.1-35.8-139-174.9-168.4-1745.8112
412N26.5Very low27.7Very low125 Ų125128 Ų12867%0.66875%0.752SS**  trans82.1147.8155.5-69.5-3.9000120.4
413I29Very low27.4Very low131 Ų131132.8 Ų132.867%0.67275%0.754SS**  cis-163.6151.2-18.7-120.9169000112.9
414N27.2Very low27.9Very low158 Ų158133.3 Ų133.385%0.84575%0.749SS**  trans50.7153158.8-65.4-10.6000124.7
415G25.6Very low27.7Very low74 Ų74133.6 Ų133.676%0.76375%0.751SS**  trans-153-61.9178.800000118.2
416K29.6Very low28.3Very low211 Ų211131.7 Ų131.792%0.91775%0.748SS**  trans78.5136.4179.9-80.8-173.1172.2-176.10121.2
417S25.2Very low28.2Very low122 Ų122131.3 Ų131.385%0.85375%0.747SS**  trans67.8138141.7-148.50000121.7
418G27.5Very low28.2Very low57 Ų57134.8 Ų134.859%0.58875%0.75SS**  cis151.6137.9-15.300000116.3
419T28.7Very low28Very low132 Ų132136.2 Ų136.281%0.8175%0.751SS**  trans64.9158.116047.50000118.6
420Q27.7Very low28Very low173 Ų173136.5 Ų136.581%0.80875%0.752SS**  cis-150.1176.49.1-142.2160.57.100114.2
421D26.3Very low28Very low140 Ų140135.4 Ų135.475%0.74976%0.758SS**  trans-91.5175.2-168.7-43.2-103000116.8
422V25.2Very low27.9Very low146 Ų146130.3 Ų130.389%0.88576%0.756SS**  170.7156.7121156.10000113
423Q24.3Very low27.8Very low173 Ų173132 Ų13281%0.80877%0.765SS**  trans-88.7-163.1-177.4-44.8-177.5-27.200113.8
424P42.1Very low27.6Very low116 Ų116129.2 Ų129.275%0.75377%0.768SS**  cis-128.9-169-23.9232.2000113.6
425G25.3Very low27.5Very low67 Ų67128.6 Ų128.669%0.69177%0.77SS**  trans-82.1-166.2168.900000114.2
426P42.1Very low27.4Very low118 Ų118129 Ų12977%0.76677%0.766SS**  cis-145.5-160.329.531.3-4000116.5
427L23.5Very low27.2Very low140 Ų140125.6 Ų125.673%0.73376%0.763SS**  trans110.1138.7149.1-62.2177.5000123.8
428F23.7Very low27.1Very low166 Ų166126.3 Ų126.373%0.72876%0.757SS**  trans61.5104.3146.1-69.3-49.3000126.2
429N26.5Very low27Very low122 Ų122129.3 Ų129.365%0.65276%0.764SS**  63.8138.6103.2-79.627.1000126.6
430N28.3Very low26.8Very low132 Ų132129.2 Ų129.271%0.70676%0.764SS**  trans77.5149.5135.7-69.918000119.5
431N25.4Very low26.7Very low155 Ų155125.8 Ų125.883%0.82976%0.759SS**  cis-132-178.833.4-110.3-15.8000115.9
432A26.6Very low26.6Very low78 Ų78125.5 Ų125.565%0.64576%0.763SS**  trans-131.7-160.2-167.800000114.3
433D24.8Very low26.5Very low162 Ų162129.5 Ų129.587%0.86676%0.762SS**  trans92146.7163-54.9-42.2000119.5
434G24.7Very low26.7Very low72 Ų72125.9 Ų125.974%0.74276%0.756SS**  trans167.7-10.2-179.600000121
435V24.6Very low25.9Very low144 Ų144127.6 Ų127.687%0.87376%0.758SS**  trans45.8130.5161.8-175.10000121.2
436A23.9Very low26Very low82 Ų82130.1 Ų130.168%0.67876%0.755SS**  trans-56.3169.8178.100000119.4
437T24.9Very low25.3Very low140 Ų140132.1 Ų132.186%0.85975%0.749SS**  -157.7151.81283.80000113.5
438D23.5Very low25.4Very low137 Ų137132.3 Ų132.373%0.73374%0.744SS**  trans-74.3175.1-171.9-54.9-90.5000114.1
439T24.8Very low25.5Very low120 Ų120128.7 Ų128.774%0.73674%0.739SS**  175.3158.262.1-34.20000112.7
440T24.8Very low25.4Very low130 Ų130129.1 Ų129.180%0.79875%0.746SS**  trans68.278153.4280000121.8
441S24.7Very low25.7Very low101 Ų101128.6 Ų128.671%0.70675%0.753SS**  trans-55158.4141.4172.50000114.3
442T24.9Very low25.7Very low135 Ų135126.5 Ų126.583%0.82875%0.75SS**  -172153.3118.320.60000116.7
443R23.3Very low25.9Very low229 Ų229127.7 Ų127.786%0.86475%0.754SS**  trans62.8110.5170.5-86.3178.2167.3161.8-2.8117.4
444S27.7Very low26.3Very low98 Ų98125.6 Ų125.669%0.68574%0.739SS**  cis68.7137.641.6-40.60000113.2
445L26.4Very low26.5Very low152 Ų152131.8 Ų131.880%0.79674%0.74SS**  cis-139.7152.533.8-75.7166.2000111.3
446N26.2Very low26.7Very low120 Ų120131 Ų13164%0.64273%0.727SS**  64.8144.264.8-77.1-32.6000114
447Y27.1Very low26.9Very low159 Ų159135.1 Ų135.162%0.62474%0.736SS**  cis-149.715419.4-127.6-156.2000111.4
448K25.8Very low26.8Very low144 Ų144133.5 Ų133.563%0.62673%0.73SS**  49.1149.990.4-51-169.6-165.4166.10115.5
449S26.2Very low27.1Very low90 Ų90133.3 Ų133.363%0.62973%0.734SS**  cis-163.3124.548.9-80.80000111.8
450T23.7Very low27.8Very low131 Ų131133 Ų13380%0.80473%0.734SS**  79.4144.187.361.70000118
451S35.2Very low27.7Very low121 Ų121137.8 Ų137.885%0.84674%0.738SS**  trans-118.6165.617853.80000112.4
452S26.8Very low27.8Very low111 Ų111138.6 Ų138.678%0.77674%0.738SS**  trans-159.8167.3163.589.50000107.8
453S29.5Very low28Very low103 Ų103139.9 Ų139.972%0.7274%0.735SS**  cis-169.3154.2-6.629.40000106
454Q33.6Very low28.2Very low119 Ų119135.5 Ų135.556%0.55673%0.729SS**  cis-144.8-162.54.7-131.3-160-2800107.2E456Q454-E456 WeakPolarHBondContact CG-OE1 3.47Å; Q454-E456 PolarHBondContact NE2-OE1 3.11Å; Q454-E456 PolarHBondContact NE2-OE2 2.9Å
455R28.2Very low28.1Very low201 Ų201135.6 Ų135.676%0.75874%0.735SS**  cis-143.4171.410-174.5155.6-82.7-151.1-7.1109.4
456E29.6Very low28Very low127 Ų127131.7 Ų131.759%0.59373%0.731SS**  trans-93.7-158.7-173.6-47.270.6-144.300112.6Q454Q454-E456 WeakPolarHBondContact CG-OE1 3.47Å; Q454-E456 PolarHBondContact NE2-OE1 3.11Å; Q454-E456 PolarHBondContact NE2-OE2 2.9Å
457I28.8Very low28.7Very low169 Ų169132.2 Ų132.287%0.86774%0.741SS**  trans79.2120.6-168.8-51.7176.9000111.6
458S23.1Very low28.6Very low106 Ų106129 Ų12974%0.74175%0.747SS**  cis-140.6175.4-1.960.30000112.5
459T28.7Very low28.6Very low133 Ų133127 Ų12782%0.81675%0.752SS**  trans-148.7-178.9-178.258.40000108
460P40.3Very low28.6Very low113 Ų113132.9 Ų132.973%0.73476%0.76SS**  cis-146.8-178.812.143-22.5000119.6
461R22.8Very low28.7Very low232 Ų232132.4 Ų132.488%0.87575%0.753SS**  trans121153.2134.5-136.3167-168.8164.53.1117.2
462T25.7Very low28.3Very low117 Ų117132.4 Ų132.472%0.71875%0.747SS**  trans-161.4174.3-152.338.90000111.8
463Q29.3Very low28.2Very low163 Ų163135.8 Ų135.876%0.76275%0.751SS**  trans78148.2168.6-58.4-173.7-88.500116.5
464D28Very low28Very low137 Ų137135 Ų13573%0.73375%0.75SS**  cis-155.9-160.8-16.9-96.4-19.8000106.6
465A24.9Very low27.5Very low100 Ų100136.2 Ų136.283%0.82677%0.766SS**  cis-159-15716.200000112.1
466G24.4Very low27.3Very low69 Ų69131.3 Ų131.371%0.71176%0.763SS**  trans-97.9-150.417600000114.8
467P40.5Very low27.1Very low131 Ų131135.7 Ų135.785%0.85177%0.774SS**  cis-148.8-177.645.443.8-24.5000118.7
468A24.7Very low26.9Very low91 Ų91133.9 Ų133.975%0.75277%0.765SS**  trans77150146.900000121.6
469S26.9Very low27.1Very low103 Ų103134.4 Ų134.472%0.7276%0.764SS**  cis-172.3163.3-29.156.30000112.3
470R26.2Very low27Very low213 Ų213134.6 Ų134.680%0.80476%0.76SS**  trans92.3102.1155.5-66.1-156.11451312.3122.7
471D24.9Very low26.4Very low121 Ų121136.8 Ų136.865%0.64777%0.765SS**  85.2108.8109.3-54.1-15.5000124
472V27.7Very low26.6Very low121 Ų121129.9 Ų129.973%0.73376%0.758SS**  67.292127.9-170.50000121.1
473Q25.4Very low27.2Very low182 Ų182127.3 Ų127.385%0.8575%0.754SS**  41.7123.7113.1-95.3178.6-10.300121.9
474A25.2Very low27.6Very low86 Ų86125.5 Ų125.571%0.71176%0.757SS**  142.3163.1101.100000117.3
475T23.1Very low27.6Very low145 Ų145130.1 Ų130.189%0.8976%0.764SS**  trans73.7166.2161.122.10000119.8
476S23.7Very low27.7Very low99 Ų99131.6 Ų131.669%0.69276%0.763SS**  trans-155.8155.6-149.661.80000114.9
477R24.7Very low27.6Very low219 Ų219132.5 Ų132.583%0.82676%0.763SS**  trans95.1124158.5-65.3-172.2179.5-1601.6119.7
478I25.3Very low27.4Very low131 Ų131133.8 Ų133.867%0.67276%0.762SS**  44.8123.9127.9-32.6159.9000116.3
479T25.8Very low27.4Very low117 Ų117135.2 Ų135.272%0.71876%0.761SS**  -156.31486142.60000114.2
480D27.8Very low27.3Very low137 Ų137138.2 Ų138.273%0.73377%0.769SS**  36.6155.7115.8-40.2-35.5000119.9
481D28.4Very low27.1Very low159 Ų159131.9 Ų131.985%0.8577%0.77SS**  cis-159.6-175.636.5-176.336.3000113.6
482A26.8Very low27.2Very low87 Ų87135 Ų13572%0.71978%0.778SS**  trans105.991.5144.900000117.6
483G36.9Very low27.1Very low62 Ų62139.4 Ų139.464%0.63978%0.783SS**  trans-141.1129.4153.600000111.4
484P39.3Very low27Very low126 Ų126140.4 Ų140.482%0.81878%0.784SS**  trans-80.7137.5164.2-9.627.6000110.2
485R27Very low27.1Very low233 Ų233139.8 Ų139.888%0.87979%0.786SS**  cis74.513546.6-71.4-167.4176.7-139.83.8113.6
486V28Very low27.3Very low132 Ų132142.7 Ų142.780%0.879%0.787SS**  cis-167.6177.7-12.998.20000111.3
487A21.9Very low27.4Very low87 Ų87147.3 Ų147.372%0.71979%0.794SS**  trans80.6114.5157.700000122
488L35.5Very low27.3Very low159 Ų159145.2 Ų145.283%0.83280%0.799SS**  trans-66.6165.3141-81.860.4000110.8
489V24.9Very low27.2Very low121 Ų121142.6 Ų142.673%0.73380%0.804SS**  160.4129.6114.6160.10000113.8
490N24Very low27Very low166 Ų166142 Ų14289%0.88881%0.811SS**  trans58.7133.4157.6-70.1-20.4000123.5
491G23.6Very low26.8Very low80 Ų80141.3 Ų141.383%0.82582%0.817SS**  trans-161.4133.4153.900000110.9
492K26.7Very low26.7Very low185 Ų185137.4 Ų137.480%0.80481%0.806SS**  trans-116.9164-178.1-90.7-171.6175.3-179.20112.1
493Y25.2Very low26.5Very low215 Ų215142.7 Ų142.784%0.84381%0.814SS**  trans73.4156.2175.4-59.8-83.7000114.1
494K24.2Very low25.9Very low202 Ų202144.8 Ų144.888%0.87881%0.814SS**  cis-149.8154.116.3-150169.6-173.2175.50110.3
495G27Very low25.3Very low73 Ų73146.1 Ų146.175%0.75381%0.809SS**  trans-106.9152-175.600000116.6
496K26.3Very low25.2Very low206 Ų206142.3 Ų142.390%0.89681%0.806SS**  trans-144.5130.7157-68.1-179.7177.5179.50104.8
497K25Very low25.3Very low196 Ų196141.9 Ų141.985%0.85280%0.804SS**  cis82.3133.630.9-152.5-179-172.4-173.80113.2
498L24.1Very low26.1Very low176 Ų176143.9 Ų143.992%0.92181%0.809SS**  trans75.9147.8-166.5-51.9170.4000113.2
499G22.2Very low25.7Very low76 Ų76144.2 Ų144.278%0.78481%0.812SS**  cis-167.1157.5-2.700000111.4
500A22.4Very low25.7Very low105 Ų105141.7 Ų141.787%0.86881%0.81SS**  trans-99.6148.8-167.600000114.6
501S23.5Very low25.9Very low121 Ų121139.6 Ų139.685%0.84681%0.808SS**  trans-179.6155.2147.653.90000110.6
502A25.3Very low26Very low77 Ų77141.5 Ų141.564%0.63681%0.809SS**  cis173.2137.7-28.200000107.3
503F22.8Very low26.2Very low199 Ų199141.8 Ų141.887%0.87381%0.813SS**  trans64.9157.1151.1-79.6-118.5000117.7
504V25.1Very low26.2Very low105 Ų105138.2 Ų138.264%0.63681%0.814SS**  cis-156.8-171.1-28.584.20000109.4
505H26Very low26.4Very low154 Ų154132.3 Ų132.371%0.71380%0.803SS**  trans-9.2143.2167.6-59-72.8000118.5
506D24.9Very low26.4Very low153 Ų153136.2 Ų136.282%0.81881%0.806SS**  -162.4168.373.2-109.4-39.6000117.4
507T30.3Very low26.4Very low124 Ų124136.3 Ų136.376%0.76181%0.807SS**  trans-126.6148.4169.353.10000110.6
508P39.2Very low26.5Very low129 Ų129132.9 Ų132.984%0.83880%0.803SS**  trans-133.4124.8143.333-18.8000115.8
509N27.1Very low26.7Very low166 Ų166131.5 Ų131.589%0.88880%0.801SS**  trans-27.8162.6148.4-161.515.9000119
510G25.4Very low26.9Very low67 Ų67135.2 Ų135.269%0.69180%0.803SS**  trans112120.5166.100000114.4
511S26.8Very low27.3Very low122 Ų122137.3 Ų137.385%0.85381%0.805SS**  cis88.7105.324.7-166.30000116.4
512S27.2Very low27.4Very low120 Ų120138.2 Ų138.284%0.83980%0.796SS**  trans-164.8151.6151.356.60000112.3
513Q29.8Very low27.5Very low191 Ų191141.7 Ų141.789%0.89380%0.797SS**  trans-114.9144.5178.1-62.3169.5-33.600111
514V26.3Very low27.7Very low140 Ų140138.9 Ų138.985%0.84880%0.796SS**  trans-153.5123.4155-172.60000105
515A27.2Very low27.7Very low79 Ų79141.4 Ų141.465%0.65381%0.806SS**  cis101.1116.128.900000113.8
516D27.1Very low27.7Very low154 Ų154138.9 Ų138.982%0.82481%0.812SS**  trans49.8125.1158.3-53.1-19.7000122.6
517K27.2Very low27.6Very low208 Ų208140.7 Ų140.790%0.90482%0.816SS**  -163.1153.899.7-108.1172.8-177.6177.60114.9
518T27.6Very low27.4Very low125 Ų125144.7 Ų144.777%0.76782%0.822SS**  trans-106.6154.4179.9440000112.5
519T28.3Very low26.9Very low146 Ų146145.4 Ų145.490%0.89682%0.824SS**  trans-164.7129.3145.816.40000110.6
520D26.1Very low26.7Very low154 Ų154140.8 Ų140.882%0.82482%0.816SS**  trans-85.6164.4167.8-56.3-85.5000112
521V29.7Very low26.9Very low149 Ų149147 Ų14790%0.90383%0.825SS**  trans-173.6160.5134.2140.50000110.8
522E27Very low26.8Very low141 Ų141144.6 Ų144.666%0.65982%0.819SS**  trans-86.2167.7-150.3-42.1-177.496.500119.6
523K26.7Very low26.6Very low149 Ų149145.3 Ų145.365%0.64881%0.807SS**  trans62.3123.7140.7-76.1158.6-169.2154.20121.1
524T26.5Very low26.4Very low141 Ų141142 Ų14287%0.86580%0.8SS**  -166.1155.994.515.90000112
525D25Very low26.4Very low157 Ų157140.1 Ų140.184%0.8478%0.783SS**  trans-86.7148.4-170-50.9-92.9000114.6
526A26.1Very low26.3Very low102 Ų102141.2 Ų141.284%0.84378%0.782SS**  trans-154.2117.5157.600000110.8
527E23.9Very low26.4Very low191 Ų191139.2 Ų139.289%0.89378%0.775SS**  trans-72.9140.4-179.8-58.4175.8112.400112.8
528K25.9Very low26.4Very low208 Ų208137.7 Ų137.790%0.90477%0.774SS**  trans-162.4116.7138-114.2156-170.7166.80113.5
529T27.3Very low26.6Very low143 Ų143137.3 Ų137.388%0.87777%0.771SS**  trans-67.5132.4170.53.80000111
530G24.2Very low26.5Very low70 Ų70139.7 Ų139.772%0.72277%0.772SS**  trans-165.299.9176.200000111.4G532G530-G532 PolarHBondContact O-N 2.96Å
531F29.3Very low26.6Very low197 Ų197141.2 Ų141.286%0.86477%0.771SS**  trans-66.3121.4180-80.4-103.5000111.2
532G24.3Very low26.6Very low71 Ų71142.2 Ų142.273%0.73277%0.771SS**  trans-110.5128.8169.100000110.5G530G530-G532 PolarHBondContact O-N 2.96Å
533F23.8Very low26.4Very low136 Ų136144.7 Ų144.760%0.59678%0.78SS**  trans-86.1127.2-179.3-76.7-83.2000112.1S695F533-S695 VanDerWaalsContact CE1-CB 3.45Å
534T24.4Very low26.4Very low122 Ų122146.2 Ų146.275%0.74879%0.794SS**  trans-86.1125.4175.8-31.10000110.6
535M26.6Very low26.3Very low99 Ų99150.8 Ų150.849%0.48880%0.796SS.*  trans-84.2115.8167.3-84.4-179.561.400110.4S692M535-S692 WeakPolarHBondContact CE-O 3.41Å
536T25.9Very low26.2Very low103 Ų103149.6 Ų149.663%0.63280%0.8SS**  trans-99.2112.4174.9-480000110.1
537V28.8Very low26Very low112 Ų112148.3 Ų148.368%0.67980%0.796SS**  trans-95.6110.9175.5-177.80000109.4V539V537-V539 HydrophobicContact CG1-CG2 4.15Å
538M27.1Very low26.1Very low176 Ų176144.4 Ų144.487%0.86779%0.79SS**  trans-92.5114.3173.3-66.5-165.2-66.500110.6
539V31Very low26Very low117 Ų117143 Ų14371%0.70979%0.786SS**  trans-108103.5169.2-178.90000108.5V537V537-V539 HydrophobicContact CG1-CG2 4.15Å
540E27.7Very low25.8Very low195 Ų195141.1 Ų141.191%0.91178%0.78SS**  trans-68.2132.1174.1-164.4163.9-138.100109.9
541K28.1Very low25.7Very low187 Ų187144.8 Ų144.881%0.81378%0.782SS**  trans-130.878.7-160.6-160.5168.9-169.61680111.4K543K541-K543 PolarHBondContact O-N 2.82Å
542D28.9Very low25.4Very low170 Ų170145.8 Ų145.891%0.90978%0.78SS**  trans-48.2125.2178.5-90.5-44.7000112.3
543K23.5Very low25.4Very low192 Ų192146.8 Ų146.884%0.83578%0.775SS**  trans-130.975.4-173.8-162.4175.5-173.1177.60111K541 R545K541-K543 PolarHBondContact O-N 2.82Å; K543-R545 PolarHBondContact O-N 3.49Å; K543-R545 VanDerWaalsContact O-N 3.1Å
544L25.7Very low25.4Very low182 Ų182147.4 Ų147.495%0.95378%0.784SS**  trans-55.6114.5172.9-87.3165.9000111.1
545R24.1Very low25.6Very low237 Ų237148 Ų14889%0.89479%0.787SS**  trans-120.7110.8160.9-121.9-171.5-176.1-147.11108.2K543K543-R545 PolarHBondContact O-N 3.49Å; K543-R545 VanDerWaalsContact O-N 3.1Å
546S23.5Very low25.6Very low132 Ų132148 Ų14892%0.92379%0.794SS**  trans-78.4129.4161.9-170.80000108.3
547G22.7Very low25.4Very low75 Ų75148.3 Ų148.377%0.77380%0.797SS**  trans-175.9122.2-177.900000108.7
548S24.8Very low25.2Very low108 Ų108149.1 Ų149.176%0.75580%0.802SS**  trans-110163.7-158.152.70000114.7
549Q24.4Very low25.4Very low178 Ų178146.8 Ų146.883%0.83280%0.8SS**  trans102.6135.9158.9-56.8-177.2-7.500118.7
550S22.2Very low25.1Very low105 Ų105144.2 Ų144.273%0.73480%0.797SS**  trans68.9145.7159.6-66.10000118.6
551L23.1Very low25Very low146 Ų146144 Ų14476%0.76480%0.796SS**  cis-163.8155.3-10.9-117.3168000109.5
552R22.5Very low24.8Very low219 Ų219139.3 Ų139.383%0.82679%0.787SS**  trans65.6125.8168.8-72.7-179.3174.1155.6-1.1115.6
553S24Very low24.5Very low91 Ų91138 Ų13864%0.63679%0.785SS**  70.6139.261.185.50000113.1
554L25.2Very low24.6Very low149 Ų149133.9 Ų133.978%0.7879%0.787SS**  cis-134.9158.725-61.788.9000114.4
555V27.3Very low24.4Very low135 Ų135131 Ų13182%0.81878%0.782SS**  trans-128.5127.5142.5176.80000107.2
556P26.3Very low24.4Very low98 Ų98124 Ų12464%0.63677%0.774SS**  trans-75.7115.4167.2-12.529.6000110.1
557T22.9Very low24.5Very low111 Ų111126.2 Ų126.268%0.68177%0.77SS**  60.8104.295.356.30000114.1
558T24.2Very low24.6Very low129 Ų129128.7 Ų128.779%0.79177%0.77SS**  72.1163.280.460.30000113.2
559P32.2Very low24.5Very low127 Ų127129.3 Ų129.383%0.82577%0.774SS**  cis-123.4-170.912.642.9-26.2000114
560G24.3Very low24.4Very low62 Ų62127.5 Ų127.564%0.63978%0.776SS**  cis-157.9156.9-000000110
561E25.1Very low24.8Very low192 Ų192130 Ų13090%0.89778%0.78SS**  64.7132.789.3-79.5-157.4121.200115.6
562S24.2Very low25.6Very low88 Ų88128.1 Ų128.162%0.61578%0.777SS**  cis-163.5-179-3.6-154.70000113.5
563T23.4Very low25.5Very low141 Ų141126.9 Ų126.987%0.86578%0.78SS**  trans69.8151.8162.441.10000120.5
564A24Very low25.7Very low106 Ų106127.5 Ų127.588%0.87678%0.784SS**  trans-149.4156.7-169.600000113
565S22.2Very low26.6Very low122 Ų122126 Ų12685%0.85378%0.784SS**  trans-173.5148.7173.1-164.80000108.8
566A24.3Very low26.3Very low89 Ų89124 Ų12474%0.73678%0.781SS**  cis-159173.5-23.700000111
567Q26.2Very low26.3Very low179 Ų179123.7 Ų123.784%0.83679%0.787SS**  trans-19.7134.5178-67-175.8-37.800123.3
568V24.2Very low26.3Very low127 Ų127126.7 Ų126.777%0.7780%0.798SS**  66.4122.6124.4-178.90000121.3
569S22.1Very low26.1Very low121 Ų121126.3 Ų126.385%0.84680%0.8SS**  trans-154.4166.5136.6-83.60000111.5
570T23.7Very low25.6Very low140 Ų140125.3 Ų125.386%0.85980%0.797SS**  trans-77.7162.8-156.924.20000119
571L28.6Very low25.6Very low159 Ų159127 Ų12783%0.83280%0.799SS**  trans-50.8169.4158.1-94.175.5000113.3
572P41.2Very low25.6Very low106 Ų106124.4 Ų124.469%0.68879%0.791SS**  cis-145.4-159.827.837.6-13.2000116.9
573Q21.1Very low25.7Very low192 Ų192131.9 Ų131.990%0.89781%0.806SS**  trans87.2144.7156.8-74.4178.4-1.200121.9
574S26.9Very low25.8Very low104 Ų104129.7 Ų129.773%0.72780%0.801SS**  trans-110.1174.5166.157.50000108.3
575P43.6Very low25.9Very low119 Ų119128.3 Ų128.377%0.77379%0.79SS**  cis-145.2-16018.843.5-21.5000116
576A21.9Very low26.2Very low92 Ų92127.3 Ų127.376%0.7678%0.779SS**  trans72.5117.914700000123.2
577A25.9Very low26.1Very low91 Ų91133.8 Ų133.875%0.75278%0.784SS**  46.2144.6126.500000125
578L22.5Very low26.3Very low174 Ų174134.8 Ų134.891%0.91178%0.781SS**  trans75116.2156.2-68.7161.2000120.3
579S20.2Very low26.6Very low121 Ų121134 Ų13485%0.84678%0.776SS**  158.1172.2114-158.80000113.6
580S23.1Very low27Very low107 Ų107136.4 Ų136.475%0.74877%0.774SS**  trans-68161-171.458.40000115.4
581S23.4Very low27.2Very low98 Ų98133.3 Ų133.369%0.68577%0.769SS**  -179.7169.474.9-174.80000114.9
582N25.2Very low27.3Very low137 Ų137133.9 Ų133.973%0.73377%0.768SS**  trans101.2120.1164.4-53.2-23.3000115.3
583R26Very low26.7Very low245 Ų245135.8 Ų135.893%0.92577%0.772SS**  62.913261.4-84.4-169.6167.8-170-1.3112.7
584A25.6Very low27Very low94 Ų94131.5 Ų131.578%0.77776%0.762SS**  cis-158.4-178.4-6.800000108.2
585A26.1Very low27.1Very low78 Ų78132 Ų13265%0.64576%0.761SS**  cis-147.6144.16.200000110.6
586V28Very low26.4Very low100 Ų100134.2 Ų134.261%0.60676%0.761SS**  58.7133.888.9-147.40000113.1
587W23.3Very low26.5Very low226 Ų226135.3 Ų135.386%0.85676%0.758SS**  cis-146.3143.137.4-58.874.7000111
588R30.6Very low27.1Very low200 Ų200136.1 Ų136.176%0.75576%0.756SS**  82.5143.752.7-78.8-165163.7-171.2-1.4114.5
589T29.6Very low27.1Very low109 Ų109134.4 Ų134.467%0.66975%0.752SS**  cis-171.4169.78.716.20000109.8
590Q29.7Very low27.2Very low173 Ų173133.6 Ų133.681%0.80875%0.747SS**  cis171.5129-24.5173.5-165.7-8200113
591G28.4Very low28.3Very low74 Ų74134.4 Ų134.476%0.76375%0.749SS**  trans108.4165.215800000118.8
592Q32.1Very low28.3Very low171 Ų171134 Ų13480%0.79975%0.752SS**  cis-171.4140.4-13.6-153.7172.7-400113.5
593N28.2Very low28.4Very low147 Ų147132.8 Ų132.879%0.78675%0.754SS**  trans69.8166.7164.2-63.5-18000121
594C26.4Very low28.3Very low101 Ų101129.6 Ų129.668%0.68275%0.75SS**  cis-176.5167.6-38.5-1640000113.2
595T28.7Very low28.3Very low116 Ų116131.8 Ų131.871%0.71275%0.748SS**  trans68.5160.3158.640.70000122.1
596Q29.2Very low28.2Very low164 Ų164132.8 Ų132.877%0.76675%0.746SS**  cis-175153.7-39.1-115-162.3119.600114
597V24.5Very low28.1Very low115 Ų115138.8 Ų138.870%0.69776%0.758SS**  trans62.6139.4144.6163.70000121.8
598P38.3Very low28.1Very low108 Ų108137.3 Ų137.370%0.70176%0.757SS**  cis-148.6-168.4-28.146.4-26.2000117.7
599V23.6Very low27.7Very low138 Ų138134.2 Ų134.284%0.83676%0.761SS**  trans83.7155.8155.7173.50000120.8
600S22Very low27.3Very low105 Ų105136.3 Ų136.373%0.73477%0.774SS**  trans-133-161.1-166.8-41.70000110.7
601P44.5Very low27Very low123 Ų123131.6 Ų131.680%0.79977%0.771SS**  cis-139.9-172.5-6.342.5-22.8000116.8
602A23.8Very low26.8Very low90 Ų90134.1 Ų134.174%0.74478%0.777SS**  trans130.9132.6134.300000120.5
603S26.9Very low26.4Very low111 Ų111130 Ų13078%0.77677%0.773SS**  trans68.2115.2146.8-540000125.1
604E25.4Very low26.2Very low178 Ų178131.8 Ų131.883%0.83278%0.776SS**  23.8145.1121.7-74.9-174.1149.600122
605L24.9Very low26Very low140 Ų140137 Ų13773%0.73378%0.784SS**  cis-162.9161.46.3-168.267.4000112.9
606T24.5Very low25.7Very low100 Ų100136.8 Ų136.861%0.61379%0.787SS**  trans81.1112.6151.714.60000123.9
607R25.2Very low25.4Very low226 Ų226136 Ų13685%0.85379%0.787SS**  trans40.6127.4135.3-64.6175.1-177.5157.6-0.1119.2
608K24.2Very low25.4Very low195 Ų195135.3 Ų135.385%0.84879%0.787SS**  cis-176.6135.349-133.7176.8-177.7-1730111.9
609T22.3Very low24.8Very low135 Ų135136.9 Ų136.983%0.82879%0.79SS**  trans13.7116.6159.3-44.40000122.1
610T20.9Very low24.9Very low152 Ų152135.6 Ų135.693%0.93378%0.782SS**  trans-168.9150.7136.8-630000108.3
611G23.5Very low25Very low74 Ų74137.3 Ų137.376%0.76379%0.788SS**  trans145.2130.8162.100000117.2
612S23.6Very low24.2Very low127 Ų127136.6 Ų136.689%0.88879%0.786SS**  trans-72164.9-177.6-168.20000115.1
613A24Very low24.4Very low86 Ų86138.5 Ų138.571%0.71179%0.788SS**  trans-94.8157.4163.900000112.4
614Q24.4Very low24.2Very low183 Ų183139.9 Ų139.986%0.85579%0.792SS**  trans-172.5167.6140.6-105.4176.42.400112.4
615Y22.1Very low24.2Very low212 Ų212136.9 Ų136.983%0.83179%0.791SS**  trans-60.9164.1-175.2-46.3-90.4000114
616S21.7Very low24.2Very low111 Ų111134.5 Ų134.578%0.77679%0.786SS**  cis-144.4159.923.9-72.80000110.1
617L23Very low24.5Very low147 Ų147137.9 Ų137.977%0.7779%0.787SS**  cis87129.441.5-151.7156.1000114
618S24.9Very low24.7Very low100 Ų100134.4 Ų134.470%0.69979%0.791SS**  trans90.1140.1-179.775.50000119.2
619D24.6Very low24.9Very low142 Ų142129 Ų12976%0.75977%0.771SS**  cis-158.5151.1-30.9-111.5-23.2000116.9
620V26.5Very low25.4Very low110 Ų110128.2 Ų128.267%0.66776%0.762SS**  trans17.4118.6157.5-161.20000122.8
621T24.2Very low26.1Very low142 Ų142127.5 Ų127.587%0.87175%0.748SS**  -170.1148.2107.919.60000114.6
622S28.4Very low27.1Very low107 Ų107126 Ų12675%0.74873%0.732SS**  trans-80.7166.3-172.3-44.90000113.4
623T27.4Very low28.5Very low130 Ų130121.5 Ų121.580%0.79870%0.701SS**  cis-161.6126.532.7-51.70000113.1
624T22.6Very low30.6Very low140 Ų140125.8 Ų125.886%0.85970%0.704SS**  trans-165.8162.7154.115.30000111.2
625S24.7Very low33.2Very low116 Ų116120.3 Ų120.381%0.81168%0.678SS**  trans-6142157.1-98.90000118.4
626S26.2Very low36.2Very low89 Ų89110.2 Ų110.262%0.62264%0.639SS**  cis-173.4164.518.654.80000113.7
627R30Very low39.1Very low171 Ų171105 Ų10565%0.64560%0.602SS**  trans66.2112.6142.5-78.3162-176.8173.93.6120.2D629R627-D629 HydrophobicContact CG-CB 3.8Å; R627-D629 WeakPolarHBondContact CG-OD2 3.27Å; R627-D629 IonicContact CZ-OD2 2.63Å; R627-D629 IonicContact NE-OD2 3.1Å; R627-D629 PolarHBondContact NE-OD2 2.97Å; R627-D629 IonicContact NH2-OD2 2.85Å
628V28.6Very low41.8Very low154 Ų15499.1 Ų99.193%0.93357%0.571SS**  -113.489.695.1-175.50000108
629D30.1Very low44.2Very low81 Ų8198.9 Ų98.943%0.43356%0.562SS.*  trans-82.6111.9170.3-66.4-23.2000108.3R627 H631R627-D629 HydrophobicContact CG-CB 3.8Å; R627-D629 WeakPolarHBondContact CG-OD2 3.27Å; R627-D629 IonicContact CZ-OD2 2.63Å; R627-D629 IonicContact NE-OD2 3.1Å; R627-D629 PolarHBondContact NE-OD2 2.97Å; R627-D629 IonicContact NH2-OD2 2.85Å; D629-H631 VanDerWaalsContact C-N 3.27Å; D629-H631 WeakPolarHBondContact CB-CD2 3.43Å; D629-H631 WeakPolarHBondContact CB-NE2 3.25Å; D629-H631 PolarHBondContact O-N 3.4Å; D629-H631 IonicContact OD2-CD2 2.96Å; D629-H631 IonicContact OD2-CE1 2.81Å; D629-H631 IonicContact OD2-NE2 2.77Å; D629-H631 PolarHBondContact OD2-NE2 2.7Å
630D32.6Very low46.7Very low118 Ų11894.8 Ų94.863%0.63154%0.538SS*.  trans-7584.2161.6-179.418.2000109.3G632D630-G632 PolarHBondContact O-N 2.77Å; D630-G632 PolarHBondContact OD1-N 3.44Å
631H36Very low49.1Very low137 Ų13789.6 Ų89.663%0.63451%0.507SS*.  trans-74.826.1174.7-80.9-59.8000113.4D629 S633D629-H631 VanDerWaalsContact C-N 3.27Å; D629-H631 WeakPolarHBondContact CB-CD2 3.43Å; D629-H631 WeakPolarHBondContact CB-NE2 3.25Å; D629-H631 PolarHBondContact O-N 3.4Å; D629-H631 IonicContact OD2-CD2 2.96Å; D629-H631 IonicContact OD2-CE1 2.81Å; D629-H631 IonicContact OD2-NE2 2.77Å; D629-H631 PolarHBondContact OD2-NE2 2.7Å; H631-S633 PolarHBondContact O-N 2.92Å
632G43.4Very low51.3Low42 Ų4287.4 Ų87.443%0.43348%0.483SS..  trans-68.1114.616500000111.5D630 K634D630-G632 PolarHBondContact O-N 2.77Å; D630-G632 PolarHBondContact OD1-N 3.44Å; G632-K634 PolarHBondContact O-N 2.87Å
633S53.8Low53Low34 Ų3490.6 Ų90.624%0.23848%0.484CS..  trans-62.6136.3-180-64.30000112.1H631 E635 S652 V654H631-S633 PolarHBondContact O-N 2.92Å; S633-E635 PolarHBondContact O-N 3.49Å; S633-S652 WeakPolarHBondContact CB-O 3.08Å; S633-S652 VanDerWaalsContact OG-C 3.27Å; S633-S652 PolarHBondContact OG-O 3.33Å; S633-V654 WeakPolarHBondContact O-CG2 3.48Å
634K66.4Low54.8Low175 Ų17586.3 Ų86.376%0.76147%0.466SS*.SBendtrans-77.70.4-179-59.9175-176.5175.80114.1G632G632-K634 PolarHBondContact O-N 2.87Å
635E80.4Confident57.2Low69 Ų6980 Ų8032%0.32243%0.427SS..BIsolated β-bridgetrans-113.6144.9-179-66.1-167.2144.500113S633 K653 V654 S714S633-E635 PolarHBondContact O-N 3.49Å; E635-K653 HydrophobicContact CB-CD 4.35Å; E635-K653 WeakPolarHBondContact OE2-CE 3.39Å; E635-K653 IonicContact OE2-NZ 3.3Å; E635-K653 PolarHBondContact OE2-NZ 3.28Å; E635-V654 PolarHBondContact O-N 2.98Å; E635-S714 WeakPolarHBondContact CA-O 3.44Å
636I84.9Confident59.1Low0 Ų079.4 Ų79.40%042%0.42CS..BIsolated β-bridgetrans-81.6139.3172.4-61.1174.7000110.4L638 L641 V654 F656 Y660 R661 L713 S714 T715I636-L638 PolarHBondContact O-N 3.32Å; I636-L641 HydrophobicContact CG2-CD1 3.99Å; I636-V654 WeakPolarHBondContact CA-O 3.46Å; I636-F656 HydrophobicContact CG2-CB 4.22Å; I636-Y660 VanDerWaalsContact CD1-C 3.46Å; I636-R661 HydrophobicContact CD1-CB 3.95Å; I636-L713 HydrophobicContact CD1-CB 4.44Å; I636-L713 HydrophobicContact CG1-CB 4.37Å; I636-S714 PolarHBondContact N-O 2.97Å; I636-T715 HydrophobicContact CB-CG2 4.04Å; I636-T715 HydrophobicContact CG2-CG2 4.16Å
637C82.6Confident60.9Low1 Ų181.3 Ų81.31%0.00742%0.418CS..  trans-73.9108.6-175.9-173.10000112.4D639 H640 L641 K653 V654C637-D639 VanDerWaalsContact C-N 3.29Å; C637-D639 PolarHBondContact O-N 3.24Å; C637-H640 HydrophobicContact CB-CB 3.89Å; C637-H640 PolarHBondContact O-N 2.85Å; C637-L641 PolarHBondContact O-N 3.44Å; C637-K653 HydrophobicContact CB-CB 3.78Å; C637-V654 PolarHBondContact N-O 2.92Å
638L79.7Confident62.2Low23 Ų2379.4 Ų79.412%0.1242%0.42CS..Hα-helixtrans-60.6-35.3176.9-70.3175.6000113.1I636 L641 Y642 T715 P716 K721 F726I636-L638 PolarHBondContact O-N 3.32Å; L638-L641 PolarHBondContact O-N 2.78Å; L638-Y642 WeakPolarHBondContact O-CB 3.35Å; L638-Y642 PolarHBondContact O-N 2.69Å; L638-T715 HydrophobicContact CD2-CG2 3.6Å; L638-P716 HydrophobicContact CD1-CG 3.93Å; L638-P716 HydrophobicContact CG-CG 4.38Å; L638-K721 HydrophobicContact CD1-CB 4.03Å; L638-K721 HydrophobicContact CD1-CG 3.91Å; L638-F726 HydrophobicContact CD2-CB 3.8Å
639D74.3Confident63.7Low96 Ų9675.6 Ų75.651%0.51341%0.412SS..Hα-helixtrans-71-37.8-177.8-52.9-65.5000111.4C637 L641 Y642 K643 G644C637-D639 VanDerWaalsContact C-N 3.29Å; C637-D639 PolarHBondContact O-N 3.24Å; D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 2.86Å; D639-Y642 PolarHBondContact O-N 3.1Å; D639-K643 PolarHBondContact O-N 3.14Å; D639-G644 CarbonylContact O-C 3.47Å; D639-G644 VanDerWaalsContact O-C 3.31Å; D639-G644 PolarHBondContact O-N 2.79Å
640H78.6Confident65.1Low56 Ų5676.4 Ų76.426%0.25942%0.424SS..Hα-helixtrans-60-42169.8-176.889.6000111.7C637 C645 H655 F656C637-H640 HydrophobicContact CB-CB 3.89Å; C637-H640 PolarHBondContact O-N 2.85Å; H640-C645 HydrophobicContact CB-CB 4.11Å; H640-H655 AromaticContact CG-CD2 3.99Å; H640-H655 AromaticContact CG-CG 3.81Å; H640-H655 AromaticContact ND1-CD2 3.99Å; H640-H655 AromaticContact ND1-CG 3.48Å; H640-H655 AromaticContact ND1-ND1 3.62Å; H640-F656 PolarHBondContact CD2-O 3.4Å
641L75.9Confident67Low0 Ų072.3 Ų72.30%040%0.404CS..Hα-helixtrans-65.5-40.2175.6-72.8170.1000112.3I636 C637 L638 D639 F656 H657 P659 T715 F726 K818I636-L641 HydrophobicContact CG2-CD1 3.99Å; C637-L641 PolarHBondContact O-N 3.44Å; L638-L641 PolarHBondContact O-N 2.78Å; D639-L641 VanDerWaalsContact C-N 3.33Å; D639-L641 PolarHBondContact O-N 2.86Å; L641-F656 WeakPolarHBondContact CD2-O 3.17Å; L641-H657 VanDerWaalsContact CD2-C 3.49Å; L641-H657 WeakPolarHBondContact CD2-O 3.4Å; L641-P659 HydrophobicContact CD1-CB 4.49Å; L641-T715 HydrophobicContact CD1-CG2 3.51Å; L641-F726 HydrophobicContact CB-CB 4.38Å; L641-F726 HydrophobicContact CB-CD1 4.44Å; L641-F726 HydrophobicContact CB-CD2 3.8Å; L641-F726 HydrophobicContact CB-CE2 4.21Å; L641-F726 HydrophobicContact CB-CG 3.94Å; L641-F726 HydrophobicContact CD1-CB 4.04Å; L641-F726 HydrophobicContact CD1-CG 4.31Å; L641-K818 WeakPolarHBondContact O-CD 3.3Å; L641-K818 WeakPolarHBondContact O-CE 3.49Å; L641-K818 WeakPolarHBondContact O-CG 3.44Å; L641-K818 PolarHBondContact O-NZ 2.78Å
642Y69.9Low68.8Low96 Ų9669.9 Ų69.938%0.37640%0.403SS..Hα-helixtrans-80.6-58.3-173-167.3-114.8000114.8L638 D639 F726L638-Y642 WeakPolarHBondContact O-CB 3.35Å; L638-Y642 PolarHBondContact O-N 2.69Å; D639-Y642 PolarHBondContact O-N 3.1Å; Y642-F726 HydrophobicContact CD2-CD2 4.39Å; Y642-F726 AromaticContact CD2-CE2 3.93Å; Y642-F726 HydrophobicContact CD2-CE2 3.93Å
643K65.8Low70.5Confident174 Ų17471.2 Ų71.276%0.75740%0.397SS*.THydrogen-bonded Turntrans-140.210.3-173.9-75.1-173.4177.9-172.20114.6D639D639-K643 PolarHBondContact O-N 3.14Å
644G64.8Low71.9Confident41 Ų4171 Ų7142%0.42339%0.394SS..  trans90.6141.1-168.500000110.8D639D639-G644 CarbonylContact O-C 3.47Å; D639-G644 VanDerWaalsContact O-C 3.31Å; D639-G644 PolarHBondContact O-N 2.79Å
645C71.9Confident72.6Confident6 Ų665.5 Ų65.54%0.04137%0.371CS..  trans-80.8124.3-178.5-176.50000110H640 F647 N648 C651 H655H640-C645 HydrophobicContact CB-CB 4.11Å; C645-F647 PolarHBondContact O-N 2.84Å; C645-F647 VanDerWaalsContact O-N 3.09Å; C645-N648 PolarHBondContact O-N 3.07Å; C645-C651 VanDerWaalsContact SG-SG 3.67Å; C645-H655 VanDerWaalsContact CB-NE2 3.26Å; C645-H655 WeakPolarHBondContact CB-NE2 3.22Å
646P64.5Low72.8Confident104 Ų10463.5 Ų63.568%0.67536%0.361SS*.THydrogen-bonded Turntrans-65.1-16.8-177.927-35.4000113.5
647F63.9Low72.5Confident129 Ų12967.6 Ų67.657%0.56638%0.38SS*.THydrogen-bonded Turntrans-87.9-15.5178-57.8-71.4000113.6C645 G649 S650 C651C645-F647 PolarHBondContact O-N 2.84Å; C645-F647 VanDerWaalsContact O-N 3.09Å; F647-G649 PolarHBondContact O-N 3.37Å; F647-S650 PolarHBondContact O-N 2.96Å; F647-S650 PolarHBondContact O-OG 2.88Å; F647-C651 HydrophobicContact CB-CB 4.14Å
648N57.7Low72.7Confident132 Ų13267.8 Ų67.871%0.70638%0.381SS*.THydrogen-bonded Turntrans39.44.7170.6-147.137.9000120.9C645C645-N648 PolarHBondContact O-N 3.07Å
649G59.9Low73Confident73 Ų7366.9 Ų66.975%0.75338%0.377SS*.THydrogen-bonded Turntrans175-25.5-173.300000113.1F647F647-G649 PolarHBondContact O-N 3.37Å
650S60.6Low73.8Confident99 Ų9962.5 Ų62.569%0.69235%0.353SS*.SBendtrans-97.310.4169.760.40000113.9F647 S652F647-S650 PolarHBondContact O-N 2.96Å; F647-S650 PolarHBondContact O-OG 2.88Å; S650-S652 PolarHBondContact O-N 3.33Å
651C71.7Confident74.2Confident31 Ų3162.3 Ų62.321%0.20935%0.35CS..  trans-72.5126.8174.1-165.70000109.9C645 F647 K653 H655C645-C651 VanDerWaalsContact SG-SG 3.67Å; F647-C651 HydrophobicContact CB-CB 4.14Å; C651-K653 PolarHBondContact O-N 3.47Å; C651-H655 VanDerWaalsContact CB-NE2 3.34Å; C651-H655 WeakPolarHBondContact CB-NE2 3.35Å
652S73.4Confident74.9Confident87 Ų8762.3 Ų62.361%0.60835%0.35SS*.SBendtrans-68.4-22174.556.80000113.3S633 S650S633-S652 WeakPolarHBondContact CB-O 3.08Å; S633-S652 VanDerWaalsContact OG-C 3.27Å; S633-S652 PolarHBondContact OG-O 3.33Å; S650-S652 PolarHBondContact O-N 3.33Å
653K79.9Confident75.8Confident70 Ų7058 Ų5830%0.30433%0.333SS..SBendtrans-88.6145.9-174.8-61.9-163.2-178-162.80112.9E635 C637 C651 H655E635-K653 HydrophobicContact CB-CD 4.35Å; E635-K653 WeakPolarHBondContact OE2-CE 3.39Å; E635-K653 IonicContact OE2-NZ 3.3Å; E635-K653 PolarHBondContact OE2-NZ 3.28Å; C637-K653 HydrophobicContact CB-CB 3.78Å; C651-K653 PolarHBondContact O-N 3.47Å; K653-H655 PolarHBondContact O-CD2 2.81Å; K653-H655 PolarHBondContact O-N 2.82Å
654V82.1Confident76.9Confident30 Ų3050.4 Ų50.418%0.18230%0.3CS..BIsolated β-bridgetrans-64.6119.4-176.6174.90000110.4S633 E635 I636 C637 F656 L713S633-V654 WeakPolarHBondContact O-CG2 3.48Å; E635-V654 PolarHBondContact O-N 2.98Å; I636-V654 WeakPolarHBondContact CA-O 3.46Å; C637-V654 PolarHBondContact N-O 2.92Å; V654-F656 HydrophobicContact CG1-CB 4.36Å; V654-F656 PolarHBondContact O-N 3.25Å; V654-L713 HydrophobicContact CG2-CD1 4.25Å
655H81.9Confident77.9Confident58 Ų5852.4 Ų52.427%0.26930%0.297SS..  trans-78116168.7-70.6179.5000109H640 C645 C651 K653H640-H655 AromaticContact CG-CD2 3.99Å; H640-H655 AromaticContact CG-CG 3.81Å; H640-H655 AromaticContact ND1-CD2 3.99Å; H640-H655 AromaticContact ND1-CG 3.48Å; H640-H655 AromaticContact ND1-ND1 3.62Å; C645-H655 VanDerWaalsContact CB-NE2 3.26Å; C645-H655 WeakPolarHBondContact CB-NE2 3.22Å; C651-H655 VanDerWaalsContact CB-NE2 3.34Å; C651-H655 WeakPolarHBondContact CB-NE2 3.35Å; K653-H655 PolarHBondContact O-CD2 2.81Å; K653-H655 PolarHBondContact O-N 2.82Å
656F84.4Confident78.4Confident27 Ų2755.7 Ų55.712%0.11831%0.314CS..  trans-148.5158.1176.2-162.6-115.3000110.5I636 H640 L641 V654 L658 Y660 R661 M676I636-F656 HydrophobicContact CG2-CB 4.22Å; H640-F656 PolarHBondContact CD2-O 3.4Å; L641-F656 WeakPolarHBondContact CD2-O 3.17Å; V654-F656 HydrophobicContact CG1-CB 4.36Å; V654-F656 PolarHBondContact O-N 3.25Å; F656-L658 HydrophobicContact CD1-CB 4.04Å; F656-L658 HydrophobicContact CE1-CB 3.9Å; F656-L658 HydrophobicContact CE1-CD1 4.3Å; F656-L658 HydrophobicContact CE1-CG 4.14Å; F656-Y660 WeakPolarHBondContact CD1-O 3.42Å; F656-Y660 WeakPolarHBondContact CE1-O 3.46Å; F656-R661 HydrophobicContact CD1-CB 3.89Å; F656-R661 HydrophobicContact CD1-CG 4.12Å; F656-R661 HydrophobicContact CD2-CG 4.28Å; F656-R661 HydrophobicContact CE1-CB 4.06Å; F656-R661 HydrophobicContact CE1-CG 4.05Å; F656-R661 HydrophobicContact CE2-CG 4.22Å; F656-R661 HydrophobicContact CG-CB 4.31Å; F656-R661 HydrophobicContact CG-CG 4.25Å; F656-R661 HydrophobicContact CZ-CG 4.11Å; F656-M676 HydrophobicContact CE1-SD 3.55Å; F656-M676 VanDerWaalsContact CE1-SD 3.55Å; F656-M676 HydrophobicContact CZ-CE 3.99Å; F656-M676 HydrophobicContact CZ-SD 3.59Å; F656-M676 VanDerWaalsContact CZ-SD 3.59Å
657H79.8Confident78.5Confident87 Ų8754 Ų5440%0.40332%0.316SS..SBendtrans-87.9-13.4-172.364.3100.9000114.7L641 Q811L641-H657 VanDerWaalsContact CD2-C 3.49Å; L641-H657 WeakPolarHBondContact CD2-O 3.4Å; H657-Q811 PolarHBondContact CE1-OE1 3.39Å; H657-Q811 PolarHBondContact ND1-OE1 2.89Å; H657-Q811 VanDerWaalsContact ND1-OE1 3.12Å
658L86.4Confident79.2Confident4 Ų456.3 Ų56.32%0.02133%0.328CS..SBendtrans-113.6159.3175.1-57.7179.6000111.3F656 Y660 E677 Q811 V814F656-L658 HydrophobicContact CD1-CB 4.04Å; F656-L658 HydrophobicContact CE1-CB 3.9Å; F656-L658 HydrophobicContact CE1-CD1 4.3Å; F656-L658 HydrophobicContact CE1-CG 4.14Å; L658-Y660 HydrophobicContact CB-CD2 4.49Å; L658-Y660 HydrophobicContact CB-CE2 4.3Å; L658-Y660 HydrophobicContact CD1-CD2 4.47Å; L658-Y660 HydrophobicContact CD1-CE2 3.71Å; L658-Y660 PolarHBondContact O-N 3.01Å; L658-E677 HydrophobicContact CD1-CG 4.21Å; L658-Q811 HydrophobicContact CD2-CB 3.82Å; L658-Q811 HydrophobicContact CD2-CG 4.19Å; L658-V814 HydrophobicContact CD2-CG2 4.32Å
659P85.9Confident80.4Confident5 Ų554 Ų543%0.03232%0.319CS..SBendtrans-74.5-0.6176.929.7-34.5000114.4L641 S714 T715 V809 V814L641-P659 HydrophobicContact CD1-CB 4.49Å; P659-S714 CarbonylContact O-C 3.42Å; P659-S714 VanDerWaalsContact O-CA 3.3Å; P659-S714 WeakPolarHBondContact O-CA 3.45Å; P659-T715 HydrophobicContact CB-CG2 3.89Å; P659-T715 PolarHBondContact O-N 2.76Å; P659-T715 PolarHBondContact O-OG1 3.14Å; P659-V809 HydrophobicContact CG-CB 4.12Å; P659-V809 HydrophobicContact CG-CG1 4.2Å; P659-V814 HydrophobicContact CG-CG2 4.28Å
660Y89.9Confident81.7Confident3 Ų354.2 Ų54.21%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-135.7157.1174.247.9-91.8000110.1I636 F656 L658 M676 E680 L713 V809I636-Y660 VanDerWaalsContact CD1-C 3.46Å; F656-Y660 WeakPolarHBondContact CD1-O 3.42Å; F656-Y660 WeakPolarHBondContact CE1-O 3.46Å; L658-Y660 HydrophobicContact CB-CD2 4.49Å; L658-Y660 HydrophobicContact CB-CE2 4.3Å; L658-Y660 HydrophobicContact CD1-CD2 4.47Å; L658-Y660 HydrophobicContact CD1-CE2 3.71Å; L658-Y660 PolarHBondContact O-N 3.01Å; Y660-M676 HydrophobicContact CD2-CG 4.32Å; Y660-M676 HydrophobicContact CE2-CG 4.36Å; Y660-E680 HydrophobicContact CD1-CB 4.46Å; Y660-E680 HydrophobicContact CD1-CG 3.63Å; Y660-E680 WeakPolarHBondContact CD1-OE1 3.47Å; Y660-E680 HydrophobicContact CD2-CB 3.76Å; Y660-E680 HydrophobicContact CD2-CG 3.81Å; Y660-E680 HydrophobicContact CE1-CB 4.31Å; Y660-E680 HydrophobicContact CE1-CG 3.64Å; Y660-E680 HydrophobicContact CE2-CB 3.55Å; Y660-E680 HydrophobicContact CE2-CG 3.79Å; Y660-E680 HydrophobicContact CG-CB 4.22Å; Y660-E680 VanDerWaalsContact CG-CD 3.44Å; Y660-E680 HydrophobicContact CG-CG 3.73Å; Y660-L713 CarbonylContact C-O 3.54Å; Y660-L713 VanDerWaalsContact CA-O 3.3Å; Y660-L713 WeakPolarHBondContact CA-O 3.25Å; Y660-V809 WeakPolarHBondContact CE1-O 3.45Å; Y660-V809 PolarHBondContact OH-O 3.05Å
661R88.8Confident82.8Confident53 Ų5351.6 Ų51.620%0.228%0.277CS..EExtended strand (participates in β ladder)trans-145.6119.1172.1-172.4179.9177.7-177.51110.3I636 F656 Q663 D672 M676 L713I636-R661 HydrophobicContact CD1-CB 3.95Å; F656-R661 HydrophobicContact CD1-CB 3.89Å; F656-R661 HydrophobicContact CD1-CG 4.12Å; F656-R661 HydrophobicContact CD2-CG 4.28Å; F656-R661 HydrophobicContact CE1-CB 4.06Å; F656-R661 HydrophobicContact CE1-CG 4.05Å; F656-R661 HydrophobicContact CE2-CG 4.22Å; F656-R661 HydrophobicContact CG-CB 4.31Å; F656-R661 HydrophobicContact CG-CG 4.25Å; F656-R661 HydrophobicContact CZ-CG 4.11Å; R661-Q663 HydrophobicContact CG-CG 4.21Å; R661-D672 IonicContact CZ-OD1 3.78Å; R661-D672 IonicContact CZ-OD2 2.65Å; R661-D672 VanDerWaalsContact CZ-OD2 3.29Å; R661-D672 VanDerWaalsContact NE-CG 3.31Å; R661-D672 IonicContact NE-OD1 3.43Å; R661-D672 PolarHBondContact NE-OD1 3.47Å; R661-D672 IonicContact NE-OD2 2.62Å; R661-D672 PolarHBondContact NE-OD2 2.84Å; R661-D672 VanDerWaalsContact NE-OD2 3.1Å; R661-D672 VanDerWaalsContact NH2-CG 3.31Å; R661-D672 IonicContact NH2-OD1 3.61Å; R661-D672 PolarHBondContact NH2-OD1 2.66Å; R661-D672 VanDerWaalsContact NH2-OD1 3.14Å; R661-D672 IonicContact NH2-OD2 3.08Å; R661-D672 PolarHBondContact NH2-OD2 3.49Å; R661-M676 HydrophobicContact CB-SD 4.31Å; R661-M676 HydrophobicContact CG-CE 4.08Å; R661-M676 HydrophobicContact CG-SD 4.11Å; R661-L713 HydrophobicContact CB-CB 4.26Å; R661-L713 PolarHBondContact N-O 2.82Å; R661-L713 PolarHBondContact O-N 3.31Å
662W89.4Confident83.4Confident0 Ų053.1 Ų53.10%028%0.283CS..EExtended strand (participates in β ladder)trans-94.9130.2177.9-74.793000111.3F673 M676 I679 E680 Y683 F700 M703 I710 R712W662-F673 HydrophobicContact CB-CB 4.39Å; W662-F673 HydrophobicContact CB-CD2 3.96Å; W662-F673 PolarHBondContact O-N 2.82Å; W662-F673 VanDerWaalsContact O-N 3.14Å; W662-M676 HydrophobicContact CB-CG 4.16Å; W662-M676 PolarHBondContact N-SD 2.95Å; W662-M676 WeakPolarHBondContact O-CE 3.28Å; W662-I679 HydrophobicContact CD2-CG2 3.6Å; W662-I679 HydrophobicContact CE3-CG2 3.99Å; W662-I679 HydrophobicContact CG-CB 4.4Å; W662-I679 HydrophobicContact CG-CG2 3.87Å; W662-I679 HydrophobicContact CH2-CG2 4.45Å; W662-I679 HydrophobicContact CZ2-CG2 4.11Å; W662-I679 HydrophobicContact CZ3-CG2 4.4Å; W662-E680 PolarHBondContact NE1-OE2 3.34Å; W662-Y683 HydrophobicContact CH2-CD1 4.13Å; W662-Y683 AromaticContact CH2-CD2 3.76Å; W662-Y683 HydrophobicContact CH2-CD2 3.76Å; W662-Y683 HydrophobicContact CH2-CE1 4.49Å; W662-Y683 HydrophobicContact CH2-CE2 4.14Å; W662-Y683 AromaticContact CH2-CG 3.74Å; W662-Y683 HydrophobicContact CH2-CG 3.74Å; W662-Y683 AromaticContact CZ2-CD1 3.67Å; W662-Y683 HydrophobicContact CZ2-CD1 3.67Å; W662-Y683 HydrophobicContact CZ2-CD2 4.03Å; W662-Y683 HydrophobicContact CZ2-CE1 4.32Å; W662-Y683 AromaticContact CZ2-CG 3.5Å; W662-Y683 HydrophobicContact CZ2-CG 3.5Å; W662-Y683 VanDerWaalsContact CZ2-CG 3.5Å; W662-F700 AromaticContact CH2-CD1 4Å; W662-F700 HydrophobicContact CH2-CD1 4Å; W662-F700 AromaticContact CH2-CE1 3.91Å; W662-F700 HydrophobicContact CH2-CE1 3.91Å; W662-F700 HydrophobicContact CZ2-CE1 4.34Å; W662-F700 HydrophobicContact CZ3-CE1 4.39Å; W662-M703 HydrophobicContact CH2-CE 4.33Å; W662-M703 HydrophobicContact CZ3-CE 4.03Å; W662-I710 HydrophobicContact CE3-CD1 4.01Å; W662-I710 HydrophobicContact CZ3-CD1 3.71Å; W662-I710 HydrophobicContact CZ3-CG1 4.47Å; W662-R712 HydrophobicContact CD2-CB 3.97Å; W662-R712 HydrophobicContact CD2-CG 4.19Å; W662-R712 HydrophobicContact CE3-CB 3.94Å; W662-R712 HydrophobicContact CH2-CB 3.9Å; W662-R712 HydrophobicContact CH2-CG 4.4Å; W662-R712 HydrophobicContact CZ2-CB 3.9Å; W662-R712 HydrophobicContact CZ2-CG 3.9Å; W662-R712 HydrophobicContact CZ3-CB 3.9Å
663Q89.8Confident83.9Confident6 Ų649.4 Ų49.43%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-136.3146.8-177.8-44-165.6-74.100112.1R661 W670 T671 D672 I710 R711R661-Q663 HydrophobicContact CG-CG 4.21Å; Q663-W670 HydrophobicContact CB-CB 4.27Å; Q663-W670 HydrophobicContact CB-CE3 3.98Å; Q663-T671 CarbonylContact C-O 3.58Å; Q663-T671 WeakPolarHBondContact CA-O 3.34Å; Q663-T671 WeakPolarHBondContact CB-O 3.3Å; Q663-D672 WeakPolarHBondContact CG-OD1 3.45Å; Q663-D672 PolarHBondContact NE2-OD1 3.11Å; Q663-I710 CarbonylContact O-C 3.54Å; Q663-I710 VanDerWaalsContact O-CA 3.25Å; Q663-I710 WeakPolarHBondContact O-CA 3.34Å; Q663-I710 WeakPolarHBondContact O-CB 3.36Å; Q663-R711 HydrophobicContact CB-CG 4.15Å; Q663-R711 PolarHBondContact N-O 3.37Å; Q663-R711 PolarHBondContact O-N 3.25Å; Q663-R711 VanDerWaalsContact OE1-CZ 3.29Å
664M87.4Confident83.6Confident13 Ų1355.8 Ų55.86%0.06428%0.284CS..EExtended strand (participates in β ladder)trans-114.7148.7170.566-175.8110.500111.6I666 T671 F673 I708 I710M664-I666 HydrophobicContact CG-CD1 3.84Å; M664-I666 HydrophobicContact CG-CG1 4.09Å; M664-I666 PolarHBondContact O-N 2.93Å; M664-I666 HydrophobicContact SD-CD1 3.63Å; M664-I666 HydrophobicContact SD-CG1 4.37Å; M664-T671 VanDerWaalsContact CG-OG1 3.27Å; M664-T671 WeakPolarHBondContact CG-OG1 3.23Å; M664-T671 PolarHBondContact N-O 2.87Å; M664-T671 PolarHBondContact O-N 3.31Å; M664-T671 PolarHBondContact O-OG1 2.66Å; M664-T671 VanDerWaalsContact O-OG1 3.08Å; M664-F673 HydrophobicContact CB-CE2 3.73Å; M664-F673 HydrophobicContact CB-CZ 3.92Å; M664-F673 HydrophobicContact CE-CD1 3.59Å; M664-F673 HydrophobicContact CE-CD2 4.2Å; M664-F673 HydrophobicContact CE-CE1 3.44Å; M664-F673 VanDerWaalsContact CE-CE1 3.44Å; M664-F673 HydrophobicContact CE-CE2 4.08Å; M664-F673 HydrophobicContact CE-CG 3.98Å; M664-F673 HydrophobicContact CE-CZ 3.69Å; M664-F673 HydrophobicContact CG-CE2 4.28Å; M664-F673 HydrophobicContact CG-CZ 4.36Å; M664-F673 HydrophobicContact SD-CE1 4.3Å; M664-F673 HydrophobicContact SD-CZ 4.1Å; M664-I708 HydrophobicContact CB-CG2 4.34Å; M664-I710 HydrophobicContact CB-CG2 3.79Å
665F86.2Confident83.5Confident83 Ų8356.8 Ų56.836%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-90.1102.9-176.4-169.8-114000111.7E668 T669 W670 I708 P709F665-E668 VanDerWaalsContact CE2-C 3.47Å; F665-E668 WeakPolarHBondContact CE2-O 3.34Å; F665-T669 CarbonylContact C-O 3.57Å; F665-T669 WeakPolarHBondContact CA-O 3.34Å; F665-W670 HydrophobicContact CB-CD2 4.36Å; F665-W670 HydrophobicContact CB-CE3 4.07Å; F665-W670 HydrophobicContact CB-CH2 3.96Å; F665-W670 HydrophobicContact CB-CZ2 4.23Å; F665-W670 HydrophobicContact CB-CZ3 3.86Å; F665-W670 AromaticContact CD2-CD2 3.92Å; F665-W670 HydrophobicContact CD2-CD2 3.92Å; F665-W670 AromaticContact CD2-CE2 3.58Å; F665-W670 HydrophobicContact CD2-CE3 4.47Å; F665-W670 HydrophobicContact CD2-CG 4.25Å; F665-W670 HydrophobicContact CD2-CH2 4.5Å; F665-W670 AromaticContact CD2-CZ2 3.92Å; F665-W670 HydrophobicContact CD2-CZ2 3.92Å; F665-W670 AromaticContact CD2-NE1 3.66Å; F665-W670 AromaticContact CE2-NE1 3.93Å; F665-W670 HydrophobicContact CG-CH2 4.5Å; F665-W670 HydrophobicContact CG-CZ2 4.3Å; F665-I708 WeakPolarHBondContact O-CG2 3.48Å; F665-P709 HydrophobicContact CB-CB 4.45Å; F665-P709 PolarHBondContact N-O 3.46Å
666I83.4Confident83.7Confident75 Ų7554.8 Ų54.839%0.38528%0.282SS..EExtended strand (participates in β ladder)trans-125.4128.7-179.1-66.5177.3000109.2M664 E668 T669 T671M664-I666 HydrophobicContact CG-CD1 3.84Å; M664-I666 HydrophobicContact CG-CG1 4.09Å; M664-I666 PolarHBondContact O-N 2.93Å; M664-I666 HydrophobicContact SD-CD1 3.63Å; M664-I666 HydrophobicContact SD-CG1 4.37Å; I666-E668 PolarHBondContact O-N 3.43Å; I666-T669 PolarHBondContact N-O 2.88Å; I666-T669 PolarHBondContact O-N 2.86Å; I666-T669 VanDerWaalsContact O-O 3.08Å; I666-T669 PolarHBondContact O-OG1 2.99Å; I666-T671 HydrophobicContact CB-CG2 4.33Å
667G66.4Low83.7Confident69 Ų6956.8 Ų56.871%0.71129%0.291SS*.THydrogen-bonded Turntrans54.150.3173.500000112.8T669G667-T669 PolarHBondContact O-N 3.19Å
668E77.9Confident83.8Confident178 Ų17857.2 Ų57.283%0.83230%0.295SS*.THydrogen-bonded Turntrans63.83.3-176-52.5-173152.300115.8F665 I666F665-E668 VanDerWaalsContact CE2-C 3.47Å; F665-E668 WeakPolarHBondContact CE2-O 3.34Å; I666-E668 PolarHBondContact O-N 3.43Å
669T82.9Confident83.8Confident82 Ų8257 Ų5750%0.50329%0.294SS..EExtended strand (participates in β ladder)trans-119.8154.2-177.368.40000113.5F665 I666 G667F665-T669 CarbonylContact C-O 3.57Å; F665-T669 WeakPolarHBondContact CA-O 3.34Å; I666-T669 PolarHBondContact N-O 2.88Å; I666-T669 PolarHBondContact O-N 2.86Å; I666-T669 VanDerWaalsContact O-O 3.08Å; I666-T669 PolarHBondContact O-OG1 2.99Å; G667-T669 PolarHBondContact O-N 3.19Å
670W86.8Confident84Confident78 Ų7856.9 Ų56.930%0.29529%0.293SS..EExtended strand (participates in β ladder)trans-94110.2175.5-70.195.2000110.7Q663 F665 R711Q663-W670 HydrophobicContact CB-CB 4.27Å; Q663-W670 HydrophobicContact CB-CE3 3.98Å; F665-W670 HydrophobicContact CB-CD2 4.36Å; F665-W670 HydrophobicContact CB-CE3 4.07Å; F665-W670 HydrophobicContact CB-CH2 3.96Å; F665-W670 HydrophobicContact CB-CZ2 4.23Å; F665-W670 HydrophobicContact CB-CZ3 3.86Å; F665-W670 AromaticContact CD2-CD2 3.92Å; F665-W670 HydrophobicContact CD2-CD2 3.92Å; F665-W670 AromaticContact CD2-CE2 3.58Å; F665-W670 HydrophobicContact CD2-CE3 4.47Å; F665-W670 HydrophobicContact CD2-CG 4.25Å; F665-W670 HydrophobicContact CD2-CH2 4.5Å; F665-W670 AromaticContact CD2-CZ2 3.92Å; F665-W670 HydrophobicContact CD2-CZ2 3.92Å; F665-W670 AromaticContact CD2-NE1 3.66Å; F665-W670 AromaticContact CE2-NE1 3.93Å; F665-W670 HydrophobicContact CG-CH2 4.5Å; F665-W670 HydrophobicContact CG-CZ2 4.3Å; W670-R711 VanDerWaalsContact CD1-CZ 3.46Å; W670-R711 HydrophobicContact CD2-CG 4.22Å; W670-R711 HydrophobicContact CE3-CB 4.45Å; W670-R711 HydrophobicContact CE3-CG 3.62Å; W670-R711 HydrophobicContact CH2-CB 4.09Å; W670-R711 HydrophobicContact CH2-CG 4.05Å; W670-R711 HydrophobicContact CZ3-CB 3.85Å; W670-R711 HydrophobicContact CZ3-CG 3.53Å
671T84.3Confident83.9Confident45 Ų4561.9 Ų61.928%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-105.1142.2-175.360.40000111.1Q663 M664 I666Q663-T671 CarbonylContact C-O 3.58Å; Q663-T671 WeakPolarHBondContact CA-O 3.34Å; Q663-T671 WeakPolarHBondContact CB-O 3.3Å; M664-T671 VanDerWaalsContact CG-OG1 3.27Å; M664-T671 WeakPolarHBondContact CG-OG1 3.23Å; M664-T671 PolarHBondContact N-O 2.87Å; M664-T671 PolarHBondContact O-N 3.31Å; M664-T671 PolarHBondContact O-OG1 2.66Å; M664-T671 VanDerWaalsContact O-OG1 3.08Å; I666-T671 HydrophobicContact CB-CG2 4.33Å
672D85.2Confident83.8Confident63 Ų6359.9 Ų59.934%0.33731%0.311SS..EExtended strand (participates in β ladder)trans-82.8140.2-174.1-68.3-22.1000113.1R661 Q663 M676R661-D672 IonicContact CZ-OD1 3.78Å; R661-D672 IonicContact CZ-OD2 2.65Å; R661-D672 VanDerWaalsContact CZ-OD2 3.29Å; R661-D672 VanDerWaalsContact NE-CG 3.31Å; R661-D672 IonicContact NE-OD1 3.43Å; R661-D672 PolarHBondContact NE-OD1 3.47Å; R661-D672 IonicContact NE-OD2 2.62Å; R661-D672 PolarHBondContact NE-OD2 2.84Å; R661-D672 VanDerWaalsContact NE-OD2 3.1Å; R661-D672 VanDerWaalsContact NH2-CG 3.31Å; R661-D672 IonicContact NH2-OD1 3.61Å; R661-D672 PolarHBondContact NH2-OD1 2.66Å; R661-D672 VanDerWaalsContact NH2-OD1 3.14Å; R661-D672 IonicContact NH2-OD2 3.08Å; R661-D672 PolarHBondContact NH2-OD2 3.49Å; Q663-D672 WeakPolarHBondContact CG-OD1 3.45Å; Q663-D672 PolarHBondContact NE2-OD1 3.11Å; D672-M676 HydrophobicContact CB-CE 3.96Å
673F82.4Confident83.8Confident8 Ų861.2 Ų61.24%0.03532%0.316CS..  trans-71130167.9-79-89.9000111.2W662 M664 M676 I679 I698 C705 I710W662-F673 HydrophobicContact CB-CB 4.39Å; W662-F673 HydrophobicContact CB-CD2 3.96Å; W662-F673 PolarHBondContact O-N 2.82Å; W662-F673 VanDerWaalsContact O-N 3.14Å; M664-F673 HydrophobicContact CB-CE2 3.73Å; M664-F673 HydrophobicContact CB-CZ 3.92Å; M664-F673 HydrophobicContact CE-CD1 3.59Å; M664-F673 HydrophobicContact CE-CD2 4.2Å; M664-F673 HydrophobicContact CE-CE1 3.44Å; M664-F673 VanDerWaalsContact CE-CE1 3.44Å; M664-F673 HydrophobicContact CE-CE2 4.08Å; M664-F673 HydrophobicContact CE-CG 3.98Å; M664-F673 HydrophobicContact CE-CZ 3.69Å; M664-F673 HydrophobicContact CG-CE2 4.28Å; M664-F673 HydrophobicContact CG-CZ 4.36Å; M664-F673 HydrophobicContact SD-CE1 4.3Å; M664-F673 HydrophobicContact SD-CZ 4.1Å; F673-M676 VanDerWaalsContact O-CE 3.3Å; F673-M676 WeakPolarHBondContact O-CE 3.3Å; F673-I679 HydrophobicContact CB-CD1 3.52Å; F673-I679 HydrophobicContact CD1-CD1 3.41Å; F673-I679 VanDerWaalsContact CD1-CD1 3.41Å; F673-I679 HydrophobicContact CD2-CD1 4.2Å; F673-I679 HydrophobicContact CE1-CD1 4.13Å; F673-I679 HydrophobicContact CG-CD1 3.45Å; F673-I679 VanDerWaalsContact CG-CD1 3.45Å; F673-I698 HydrophobicContact CD1-CD1 4.37Å; F673-I698 HydrophobicContact CE1-CD1 3.81Å; F673-I698 HydrophobicContact CE1-CG1 4.31Å; F673-I698 HydrophobicContact CZ-CD1 4.09Å; F673-I698 HydrophobicContact CZ-CG1 4.35Å; F673-C705 HydrophobicContact CZ-CB 4.16Å; F673-I710 HydrophobicContact CE2-CB 4.31Å; F673-I710 HydrophobicContact CE2-CG2 3.81Å; F673-I710 HydrophobicContact CZ-CG2 3.85Å
674K75.3Confident83.7Confident205 Ų20561.6 Ų61.689%0.89132%0.319SS*.SBendtrans-62.8-48.1173.1-63177-178.21750113.6M676K674-M676 PolarHBondContact O-N 3.21Å
675P79.8Confident83.7Confident51 Ų5162.4 Ų62.433%0.33132%0.324SS..SBendtrans-8652.8-177.735.7-35.5000112E677 M678 I679 V693P675-E677 PolarHBondContact O-N 3.36Å; P675-M678 PolarHBondContact O-N 3.18Å; P675-I679 HydrophobicContact CG-CD1 4.21Å; P675-I679 PolarHBondContact O-N 3.2Å; P675-V693 HydrophobicContact CB-CG1 3.95Å; P675-V693 HydrophobicContact CG-CG1 3.41Å; P675-V693 VanDerWaalsContact CG-CG1 3.41Å
676M85.2Confident83.7Confident15 Ų1559 Ų597%0.07431%0.31CS..Hα-helixtrans-65-32-164.5-165168.5-64.100115F656 Y660 R661 W662 D672 F673 K674 E680F656-M676 HydrophobicContact CE1-SD 3.55Å; F656-M676 VanDerWaalsContact CE1-SD 3.55Å; F656-M676 HydrophobicContact CZ-CE 3.99Å; F656-M676 HydrophobicContact CZ-SD 3.59Å; F656-M676 VanDerWaalsContact CZ-SD 3.59Å; Y660-M676 HydrophobicContact CD2-CG 4.32Å; Y660-M676 HydrophobicContact CE2-CG 4.36Å; R661-M676 HydrophobicContact CB-SD 4.31Å; R661-M676 HydrophobicContact CG-CE 4.08Å; R661-M676 HydrophobicContact CG-SD 4.11Å; W662-M676 HydrophobicContact CB-CG 4.16Å; W662-M676 PolarHBondContact N-SD 2.95Å; W662-M676 WeakPolarHBondContact O-CE 3.28Å; D672-M676 HydrophobicContact CB-CE 3.96Å; F673-M676 VanDerWaalsContact O-CE 3.3Å; F673-M676 WeakPolarHBondContact O-CE 3.3Å; K674-M676 PolarHBondContact O-N 3.21Å; M676-E680 PolarHBondContact O-N 2.75Å
677E84.8Confident83.7Confident69 Ų6961.7 Ų61.732%0.32232%0.315SS..Hα-helixtrans-71.2-42.8178.3-58.4-160.9128.300112L658 P675 I679 E680 E681 F808 Q811L658-E677 HydrophobicContact CD1-CG 4.21Å; P675-E677 PolarHBondContact O-N 3.36Å; E677-I679 VanDerWaalsContact C-N 3.28Å; E677-I679 PolarHBondContact O-N 2.86Å; E677-E680 PolarHBondContact O-N 3.45Å; E677-E680 VanDerWaalsContact O-N 3.13Å; E677-E681 WeakPolarHBondContact O-CB 3.48Å; E677-E681 PolarHBondContact O-N 2.89Å; E677-F808 HydrophobicContact CB-CE2 4.35Å; E677-F808 HydrophobicContact CB-CZ 4.28Å; E677-F808 WeakPolarHBondContact O-CE2 3.45Å; E677-Q811 WeakPolarHBondContact OE1-CB 3.23Å; E677-Q811 PolarHBondContact OE1-N 3.2Å
678M82.4Confident84.5Confident97 Ų9761 Ų6148%0.47830%0.295SS..Hα-helixtrans-58.7-39.9177.5-179.3-174.1-72.100111.7P675 A682 V693P675-M678 PolarHBondContact O-N 3.18Å; M678-A682 VanDerWaalsContact O-CB 3.22Å; M678-A682 WeakPolarHBondContact O-CB 3.43Å; M678-A682 PolarHBondContact O-N 3.11Å; M678-V693 HydrophobicContact SD-CG1 3.77Å; M678-V693 HydrophobicContact SD-CG2 4.36Å
679I85.9Confident84.6Confident0 Ų056 Ų560%027%0.272CS..Hα-helixtrans-68.8-39.8177.5-59.5167.7000110.8W662 F673 P675 E677 Y683 V693 I698 F700W662-I679 HydrophobicContact CD2-CG2 3.6Å; W662-I679 HydrophobicContact CE3-CG2 3.99Å; W662-I679 HydrophobicContact CG-CB 4.4Å; W662-I679 HydrophobicContact CG-CG2 3.87Å; W662-I679 HydrophobicContact CH2-CG2 4.45Å; W662-I679 HydrophobicContact CZ2-CG2 4.11Å; W662-I679 HydrophobicContact CZ3-CG2 4.4Å; F673-I679 HydrophobicContact CB-CD1 3.52Å; F673-I679 HydrophobicContact CD1-CD1 3.41Å; F673-I679 VanDerWaalsContact CD1-CD1 3.41Å; F673-I679 HydrophobicContact CD2-CD1 4.2Å; F673-I679 HydrophobicContact CE1-CD1 4.13Å; F673-I679 HydrophobicContact CG-CD1 3.45Å; F673-I679 VanDerWaalsContact CG-CD1 3.45Å; P675-I679 HydrophobicContact CG-CD1 4.21Å; P675-I679 PolarHBondContact O-N 3.2Å; E677-I679 VanDerWaalsContact C-N 3.28Å; E677-I679 PolarHBondContact O-N 2.86Å; I679-Y683 WeakPolarHBondContact O-CB 3.43Å; I679-Y683 PolarHBondContact O-N 3.42Å; I679-V693 HydrophobicContact CG1-CG2 4.24Å; I679-I698 HydrophobicContact CD1-CD1 3.67Å; I679-I698 HydrophobicContact CG1-CD1 3.78Å; I679-I698 HydrophobicContact CG2-CD1 4.01Å; I679-F700 HydrophobicContact CG2-CE1 3.89Å; I679-F700 HydrophobicContact CG2-CZ 4.17Å
680E90.4Very high84.6Confident1 Ų156.1 Ų56.11%0.00527%0.272CS..Hα-helixtrans-69-40.8175.7-175.976.2175.500112.4Y660 W662 M676 E677 Y683 S684 R712 P806 F808Y660-E680 HydrophobicContact CD1-CB 4.46Å; Y660-E680 HydrophobicContact CD1-CG 3.63Å; Y660-E680 WeakPolarHBondContact CD1-OE1 3.47Å; Y660-E680 HydrophobicContact CD2-CB 3.76Å; Y660-E680 HydrophobicContact CD2-CG 3.81Å; Y660-E680 HydrophobicContact CE1-CB 4.31Å; Y660-E680 HydrophobicContact CE1-CG 3.64Å; Y660-E680 HydrophobicContact CE2-CB 3.55Å; Y660-E680 HydrophobicContact CE2-CG 3.79Å; Y660-E680 HydrophobicContact CG-CB 4.22Å; Y660-E680 VanDerWaalsContact CG-CD 3.44Å; Y660-E680 HydrophobicContact CG-CG 3.73Å; W662-E680 PolarHBondContact NE1-OE2 3.34Å; M676-E680 PolarHBondContact O-N 2.75Å; E677-E680 PolarHBondContact O-N 3.45Å; E677-E680 VanDerWaalsContact O-N 3.13Å; E680-Y683 PolarHBondContact O-N 2.87Å; E680-S684 WeakPolarHBondContact O-CB 3.46Å; E680-S684 PolarHBondContact O-N 3.37Å; E680-S684 PolarHBondContact O-OG 3.48Å; E680-R712 VanDerWaalsContact CD-NE 3.32Å; E680-R712 IonicContact OE1-CZ 3.58Å; E680-R712 VanDerWaalsContact OE1-CZ 3.25Å; E680-R712 IonicContact OE1-NE 2.64Å; E680-R712 PolarHBondContact OE1-NE 3.48Å; E680-R712 IonicContact OE1-NH2 2.97Å; E680-R712 PolarHBondContact OE1-NH2 3.49Å; E680-R712 WeakPolarHBondContact OE2-CD 3.36Å; E680-R712 IonicContact OE2-CZ 2.65Å; E680-R712 IonicContact OE2-NE 2.69Å; E680-R712 PolarHBondContact OE2-NE 2.71Å; E680-R712 IonicContact OE2-NH2 3.76Å; E680-P806 WeakPolarHBondContact OE1-CG 3.34Å; E680-F808 HydrophobicContact CB-CD2 4.16Å; E680-F808 HydrophobicContact CB-CE2 4.2Å; E680-F808 HydrophobicContact CG-CD2 3.83Å; E680-F808 HydrophobicContact CG-CE2 4.3Å
681E87.5Confident84.5Confident109 Ų10953 Ų5351%0.50926%0.262SS..Hα-helixtrans-62.5-48.8176.5-174.4169.7-151.100110.4E677 Y683 S684 D685 F808E677-E681 WeakPolarHBondContact O-CB 3.48Å; E677-E681 PolarHBondContact O-N 2.89Å; E681-Y683 VanDerWaalsContact C-N 3.34Å; E681-Y683 PolarHBondContact O-N 2.72Å; E681-S684 WeakPolarHBondContact O-CB 3.5Å; E681-S684 PolarHBondContact O-N 3.32Å; E681-S684 VanDerWaalsContact O-N 3.11Å; E681-D685 PolarHBondContact O-N 3.19Å; E681-F808 HydrophobicContact CB-CD1 4.46Å; E681-F808 HydrophobicContact CB-CD2 3.93Å; E681-F808 HydrophobicContact CB-CE1 4.36Å; E681-F808 HydrophobicContact CB-CE2 3.85Å; E681-F808 HydrophobicContact CB-CG 4.25Å; E681-F808 HydrophobicContact CB-CZ 4.07Å; E681-F808 HydrophobicContact CG-CD1 4.37Å; E681-F808 HydrophobicContact CG-CE1 4.43Å; E681-F808 HydrophobicContact CG-CG 4.47Å
682A86.8Confident84.3Confident11 Ų1151.5 Ų51.59%0.09125%0.253CS..Hα-helixtrans-61.1-39.1174.500000112.6M678 S684 I688 C691 F700M678-A682 VanDerWaalsContact O-CB 3.22Å; M678-A682 WeakPolarHBondContact O-CB 3.43Å; M678-A682 PolarHBondContact O-N 3.11Å; A682-S684 VanDerWaalsContact C-N 3.34Å; A682-I688 HydrophobicContact CB-CD1 4.34Å; A682-I688 HydrophobicContact CB-CG2 4.33Å; A682-I688 WeakPolarHBondContact O-CB 3.37Å; A682-C691 HydrophobicContact CB-CB 4.08Å; A682-F700 HydrophobicContact CB-CE2 3.84Å; A682-F700 HydrophobicContact CB-CZ 3.94Å
683Y88.8Confident83.7Confident27 Ų2749.3 Ų49.311%0.10624%0.242CC..Hα-helixtrans-71.1-27.2174.7-177.8-110.7000113.3W662 I679 E680 E681 D685 F700 M703 R805 P806W662-Y683 HydrophobicContact CH2-CD1 4.13Å; W662-Y683 AromaticContact CH2-CD2 3.76Å; W662-Y683 HydrophobicContact CH2-CD2 3.76Å; W662-Y683 HydrophobicContact CH2-CE1 4.49Å; W662-Y683 HydrophobicContact CH2-CE2 4.14Å; W662-Y683 AromaticContact CH2-CG 3.74Å; W662-Y683 HydrophobicContact CH2-CG 3.74Å; W662-Y683 AromaticContact CZ2-CD1 3.67Å; W662-Y683 HydrophobicContact CZ2-CD1 3.67Å; W662-Y683 HydrophobicContact CZ2-CD2 4.03Å; W662-Y683 HydrophobicContact CZ2-CE1 4.32Å; W662-Y683 AromaticContact CZ2-CG 3.5Å; W662-Y683 HydrophobicContact CZ2-CG 3.5Å; W662-Y683 VanDerWaalsContact CZ2-CG 3.5Å; I679-Y683 WeakPolarHBondContact O-CB 3.43Å; I679-Y683 PolarHBondContact O-N 3.42Å; E680-Y683 PolarHBondContact O-N 2.87Å; E681-Y683 VanDerWaalsContact C-N 3.34Å; E681-Y683 PolarHBondContact O-N 2.72Å; Y683-D685 VanDerWaalsContact C-N 3.29Å; Y683-D685 PolarHBondContact O-N 3.39Å; Y683-F700 HydrophobicContact CD2-CB 3.92Å; Y683-F700 AromaticContact CD2-CD1 3.58Å; Y683-F700 HydrophobicContact CD2-CD1 3.58Å; Y683-F700 HydrophobicContact CD2-CD2 4.41Å; Y683-F700 HydrophobicContact CD2-CE1 4.12Å; Y683-F700 AromaticContact CD2-CG 3.75Å; Y683-F700 HydrophobicContact CD2-CG 3.75Å; Y683-F700 HydrophobicContact CE2-CB 4.29Å; Y683-F700 HydrophobicContact CE2-CD1 4.42Å; Y683-F700 HydrophobicContact CG-CD1 4.33Å; Y683-F700 HydrophobicContact CG-CE1 4.43Å; Y683-M703 HydrophobicContact CE2-SD 4.44Å; Y683-R805 WeakPolarHBondContact O-CD 3.28Å; Y683-R805 PolarHBondContact O-NE 2.81Å; Y683-P806 HydrophobicContact CD1-CG 3.72Å; Y683-P806 VanDerWaalsContact CE1-CD 3.5Å; Y683-P806 HydrophobicContact CE1-CG 3.95Å
684S88.7Confident83.3Confident14 Ų1450.9 Ų50.910%0.09826%0.26CS..Hα-helixtrans-70.6-26.4179-620000112.2E680 E681 A682 R805 P806 F808E680-S684 WeakPolarHBondContact O-CB 3.46Å; E680-S684 PolarHBondContact O-N 3.37Å; E680-S684 PolarHBondContact O-OG 3.48Å; E681-S684 WeakPolarHBondContact O-CB 3.5Å; E681-S684 PolarHBondContact O-N 3.32Å; E681-S684 VanDerWaalsContact O-N 3.11Å; A682-S684 VanDerWaalsContact C-N 3.34Å; S684-R805 VanDerWaalsContact O-CB 3.32Å; S684-R805 WeakPolarHBondContact O-CB 3.49Å; S684-P806 WeakPolarHBondContact CB-O 3.39Å; S684-P806 PolarHBondContact OG-O 2.96Å; S684-F808 PolarHBondContact OG-N 3.09Å
685D86Confident83.1Confident30 Ų3044 Ų4416%0.1624%0.238CC..  trans-77.5124.7174.4-162.1-37.6000111E681 Y683 R687 I688 R805E681-D685 PolarHBondContact O-N 3.19Å; Y683-D685 VanDerWaalsContact C-N 3.29Å; Y683-D685 PolarHBondContact O-N 3.39Å; D685-R687 PolarHBondContact O-N 2.87Å; D685-R687 WeakPolarHBondContact OD1-CA 3.42Å; D685-R687 WeakPolarHBondContact OD1-CB 3.49Å; D685-R687 VanDerWaalsContact OD1-CG 3.22Å; D685-R687 WeakPolarHBondContact OD1-CG 3.29Å; D685-R687 IonicContact OD1-CZ 2.72Å; D685-R687 PolarHBondContact OD1-N 3.27Å; D685-R687 IonicContact OD1-NE 3.99Å; D685-R687 PolarHBondContact OD1-NE 3.05Å; D685-R687 IonicContact OD2-CZ 2.67Å; D685-R687 IonicContact OD2-NE 3.21Å; D685-R687 PolarHBondContact OD2-NE 3.23Å; D685-R687 IonicContact OD2-NH2 2.7Å; D685-R687 PolarHBondContact OD2-NH2 2.89Å; D685-I688 HydrophobicContact CB-CB 4.37Å; D685-I688 HydrophobicContact CB-CD1 3.91Å; D685-I688 HydrophobicContact CB-CG1 3.99Å; D685-I688 PolarHBondContact O-N 3.19Å; D685-R805 PolarHBondContact O-NE 2.99Å
686P86.6Confident82.9Confident11 Ų1146.1 Ų46.17%0.07124%0.24CC..THydrogen-bonded Turntrans-68.1-20.7174.530.2-37.7000113.1I688 H689 Y733 W741 I803 R805P686-I688 VanDerWaalsContact C-N 3.34Å; P686-H689 PolarHBondContact O-CE1 2.79Å; P686-Y733 HydrophobicContact CB-CD2 3.92Å; P686-Y733 HydrophobicContact CB-CE2 4.31Å; P686-Y733 HydrophobicContact CB-CG 4.08Å; P686-Y733 HydrophobicContact CG-CD1 3.97Å; P686-Y733 HydrophobicContact CG-CD2 3.98Å; P686-Y733 HydrophobicContact CG-CE1 4.05Å; P686-Y733 HydrophobicContact CG-CE2 4.06Å; P686-Y733 HydrophobicContact CG-CG 3.94Å; P686-W741 HydrophobicContact CB-CB 4.03Å; P686-W741 HydrophobicContact CB-CD2 4.07Å; P686-W741 HydrophobicContact CB-CG 3.73Å; P686-W741 HydrophobicContact CG-CB 3.8Å; P686-W741 HydrophobicContact CG-CG 4Å; P686-W741 PolarHBondContact O-NE1 3.36Å; P686-I803 HydrophobicContact CB-CG2 3.52Å; P686-R805 HydrophobicContact CB-CG 4.26Å
687R84.6Confident82.8Confident132 Ų13248.4 Ų48.450%0.49826%0.255SS..THydrogen-bonded Turntrans-73.3-25.3178.4-57.3173.6-69.6-179.21.8112.7D685D685-R687 PolarHBondContact O-N 2.87Å; D685-R687 WeakPolarHBondContact OD1-CA 3.42Å; D685-R687 WeakPolarHBondContact OD1-CB 3.49Å; D685-R687 VanDerWaalsContact OD1-CG 3.22Å; D685-R687 WeakPolarHBondContact OD1-CG 3.29Å; D685-R687 IonicContact OD1-CZ 2.72Å; D685-R687 PolarHBondContact OD1-N 3.27Å; D685-R687 IonicContact OD1-NE 3.99Å; D685-R687 PolarHBondContact OD1-NE 3.05Å; D685-R687 IonicContact OD2-CZ 2.67Å; D685-R687 IonicContact OD2-NE 3.21Å; D685-R687 PolarHBondContact OD2-NE 3.23Å; D685-R687 IonicContact OD2-NH2 2.7Å; D685-R687 PolarHBondContact OD2-NH2 2.89Å
688I83.3Confident82.9Confident56 Ų5645.1 Ų45.129%0.28724%0.24SC..  trans-93.6123-175-57.7175.5000109A682 D685 P686 V690 C691 F700 R805A682-I688 HydrophobicContact CB-CD1 4.34Å; A682-I688 HydrophobicContact CB-CG2 4.33Å; A682-I688 WeakPolarHBondContact O-CB 3.37Å; D685-I688 HydrophobicContact CB-CB 4.37Å; D685-I688 HydrophobicContact CB-CD1 3.91Å; D685-I688 HydrophobicContact CB-CG1 3.99Å; D685-I688 PolarHBondContact O-N 3.19Å; P686-I688 VanDerWaalsContact C-N 3.34Å; I688-V690 WeakPolarHBondContact CG2-O 3.26Å; I688-C691 HydrophobicContact CG2-CB 4.32Å; I688-F700 HydrophobicContact CG2-CD2 4.18Å; I688-F700 HydrophobicContact CG2-CE2 3.93Å; I688-R805 PolarHBondContact O-NH2 2.74Å
689H80Confident83Confident73 Ų7342 Ų4234%0.33823%0.225SC..SBendtrans-117.4-28.4178.9-61.7-23.7000112.2P686 F700P686-H689 PolarHBondContact O-CE1 2.79Å; H689-F700 PolarHBondContact O-N 3.45Å
690V82.4Confident83.1Confident83 Ų8342.3 Ų42.350%0.50323%0.227SC..EExtended strand (participates in β ladder)trans-127.2138172.3-179.30000108.3I688 T697 I698I688-V690 WeakPolarHBondContact CG2-O 3.26Å; V690-T697 HydrophobicContact CG1-CG2 3.68Å; V690-I698 CarbonylContact C-O 3.56Å; V690-I698 VanDerWaalsContact CA-O 3.26Å; V690-I698 WeakPolarHBondContact CA-O 3.47Å
691C84.4Confident82.7Confident12 Ų1252.4 Ų52.48%0.08127%0.265CS..EExtended strand (participates in β ladder)trans-137113.8177178.20000108.5A682 I688 I698 F700A682-C691 HydrophobicContact CB-CB 4.08Å; I688-C691 HydrophobicContact CG2-CB 4.32Å; C691-I698 PolarHBondContact N-O 2.95Å; C691-I698 WeakPolarHBondContact O-CB 3.5Å; C691-I698 PolarHBondContact O-N 3.04Å; C691-F700 HydrophobicContact CB-CE2 3.61Å; C691-F700 HydrophobicContact CB-CZ 3.84Å
692S80.4Confident82.4Confident15 Ų1553.6 Ų53.611%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-82.5142.1169.133.40000110.3M535 Y696M535-S692 WeakPolarHBondContact CE-O 3.41Å; S692-Y696 CarbonylContact C-O 3.57Å; S692-Y696 WeakPolarHBondContact CA-O 3.3Å
693V73.1Confident82.4Confident16 Ų1655.8 Ų55.810%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-143.196.2-176.9-167.80000109.7P675 M678 I679 S695 Y696 I698P675-V693 HydrophobicContact CB-CG1 3.95Å; P675-V693 HydrophobicContact CG-CG1 3.41Å; P675-V693 VanDerWaalsContact CG-CG1 3.41Å; M678-V693 HydrophobicContact SD-CG1 3.77Å; M678-V693 HydrophobicContact SD-CG2 4.36Å; I679-V693 HydrophobicContact CG1-CG2 4.24Å; V693-S695 PolarHBondContact O-N 3.31Å; V693-Y696 PolarHBondContact N-O 2.88Å; V693-Y696 PolarHBondContact O-N 3.27Å; V693-I698 HydrophobicContact CG2-CD1 4.22Å
694G72.8Confident82.3Confident41 Ų4155.2 Ų55.242%0.42328%0.279SS..THydrogen-bonded Turntrans65.9-120.7-170.100000110.8Y696G694-Y696 VanDerWaalsContact C-N 3.3Å
695S70.4Confident82.1Confident61 Ų6154.5 Ų54.543%0.42727%0.274SS..THydrogen-bonded Turntrans-77.4-10.6177.356.60000115.1F533 V693F533-S695 VanDerWaalsContact CE1-CB 3.45Å; V693-S695 PolarHBondContact O-N 3.31Å
696Y76.4Confident81.7Confident95 Ų9556 Ų5637%0.37328%0.282SS..EExtended strand (participates in β ladder)trans-105.3145.5-164.1-63.5-69.7000112.7S692 V693 G694 D706S692-Y696 CarbonylContact C-O 3.57Å; S692-Y696 WeakPolarHBondContact CA-O 3.3Å; V693-Y696 PolarHBondContact N-O 2.88Å; V693-Y696 PolarHBondContact O-N 3.27Å; G694-Y696 VanDerWaalsContact C-N 3.3Å; Y696-D706 WeakPolarHBondContact CA-OD2 3.46Å
697T83.9Confident81.3Confident64 Ų6464.8 Ų64.839%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-119.9101177.5-420000110.7V690 C705 D706V690-T697 HydrophobicContact CG1-CG2 3.68Å; T697-C705 WeakPolarHBondContact O-CA 3.35Å; T697-D706 WeakPolarHBondContact CA-OD1 3.3Å; T697-D706 WeakPolarHBondContact CB-OD1 3.36Å; T697-D706 PolarHBondContact N-OD1 3.08Å; T697-D706 PolarHBondContact N-OD2 3.33Å; T697-D706 PolarHBondContact O-N 3.11Å; T697-D706 PolarHBondContact OG1-OD1 3.46Å
698I87.1Confident81.2Confident0 Ų061 Ų610%031%0.309CS..EExtended strand (participates in β ladder)trans-88.7125.5-178.3-62.8167.4000110.4F673 I679 V690 C691 V693 F700 S704 C705 I710F673-I698 HydrophobicContact CD1-CD1 4.37Å; F673-I698 HydrophobicContact CE1-CD1 3.81Å; F673-I698 HydrophobicContact CE1-CG1 4.31Å; F673-I698 HydrophobicContact CZ-CD1 4.09Å; F673-I698 HydrophobicContact CZ-CG1 4.35Å; I679-I698 HydrophobicContact CD1-CD1 3.67Å; I679-I698 HydrophobicContact CG1-CD1 3.78Å; I679-I698 HydrophobicContact CG2-CD1 4.01Å; V690-I698 CarbonylContact C-O 3.56Å; V690-I698 VanDerWaalsContact CA-O 3.26Å; V690-I698 WeakPolarHBondContact CA-O 3.47Å; C691-I698 PolarHBondContact N-O 2.95Å; C691-I698 WeakPolarHBondContact O-CB 3.5Å; C691-I698 PolarHBondContact O-N 3.04Å; V693-I698 HydrophobicContact CG2-CD1 4.22Å; I698-F700 HydrophobicContact CG2-CD1 3.67Å; I698-F700 HydrophobicContact CG2-CE1 3.46Å; I698-F700 VanDerWaalsContact CG2-CE1 3.46Å; I698-F700 HydrophobicContact CG2-CG 4.49Å; I698-F700 HydrophobicContact CG2-CZ 4.15Å; I698-S704 WeakPolarHBondContact CA-O 3.41Å; I698-C705 HydrophobicContact CG1-CB 4.08Å; I698-I710 HydrophobicContact CG2-CD1 3.51Å
699N84.5Confident81.4Confident30 Ų3061.8 Ų61.816%0.1632%0.317CS..EExtended strand (participates in β ladder)trans-105.3108.8172.9-179.8-16.5000110.2R701 E702 M703 S704N699-R701 VanDerWaalsContact C-N 3.25Å; N699-R701 PolarHBondContact O-N 2.99Å; N699-R701 WeakPolarHBondContact OD1-CA 3.43Å; N699-R701 WeakPolarHBondContact OD1-CB 3.26Å; N699-R701 PolarHBondContact OD1-N 3.44Å; N699-E702 HydrophobicContact CB-CB 4.43Å; N699-E702 PolarHBondContact ND2-OE1 3.1Å; N699-E702 PolarHBondContact ND2-OE2 3.16Å; N699-E702 VanDerWaalsContact ND2-OE2 3.14Å; N699-E702 PolarHBondContact OD1-N 3.12Å; N699-M703 WeakPolarHBondContact O-CA 3.33Å; N699-M703 PolarHBondContact O-N 3.11Å; N699-S704 PolarHBondContact N-O 3.09Å; N699-S704 PolarHBondContact O-N 3.29Å
700F86.4Confident81.9Confident8 Ų858.7 Ų58.74%0.03530%0.303CS..THydrogen-bonded Turntrans-77.9-1.6-178.8-61.7-49.4000114.7W662 I679 A682 Y683 I688 H689 C691 I698W662-F700 AromaticContact CH2-CD1 4Å; W662-F700 HydrophobicContact CH2-CD1 4Å; W662-F700 AromaticContact CH2-CE1 3.91Å; W662-F700 HydrophobicContact CH2-CE1 3.91Å; W662-F700 HydrophobicContact CZ2-CE1 4.34Å; W662-F700 HydrophobicContact CZ3-CE1 4.39Å; I679-F700 HydrophobicContact CG2-CE1 3.89Å; I679-F700 HydrophobicContact CG2-CZ 4.17Å; A682-F700 HydrophobicContact CB-CE2 3.84Å; A682-F700 HydrophobicContact CB-CZ 3.94Å; Y683-F700 HydrophobicContact CD2-CB 3.92Å; Y683-F700 AromaticContact CD2-CD1 3.58Å; Y683-F700 HydrophobicContact CD2-CD1 3.58Å; Y683-F700 HydrophobicContact CD2-CD2 4.41Å; Y683-F700 HydrophobicContact CD2-CE1 4.12Å; Y683-F700 AromaticContact CD2-CG 3.75Å; Y683-F700 HydrophobicContact CD2-CG 3.75Å; Y683-F700 HydrophobicContact CE2-CB 4.29Å; Y683-F700 HydrophobicContact CE2-CD1 4.42Å; Y683-F700 HydrophobicContact CG-CD1 4.33Å; Y683-F700 HydrophobicContact CG-CE1 4.43Å; I688-F700 HydrophobicContact CG2-CD2 4.18Å; I688-F700 HydrophobicContact CG2-CE2 3.93Å; H689-F700 PolarHBondContact O-N 3.45Å; C691-F700 HydrophobicContact CB-CE2 3.61Å; C691-F700 HydrophobicContact CB-CZ 3.84Å; I698-F700 HydrophobicContact CG2-CD1 3.67Å; I698-F700 HydrophobicContact CG2-CE1 3.46Å; I698-F700 VanDerWaalsContact CG2-CE1 3.46Å; I698-F700 HydrophobicContact CG2-CG 4.49Å; I698-F700 HydrophobicContact CG2-CZ 4.15Å
701R82.1Confident82.2Confident213 Ų21358 Ų5880%0.80429%0.292SS*.THydrogen-bonded Turntrans-94.4-40.8174.3-163.1-177.9-164176.27111.3N699N699-R701 VanDerWaalsContact C-N 3.25Å; N699-R701 PolarHBondContact O-N 2.99Å; N699-R701 WeakPolarHBondContact OD1-CA 3.43Å; N699-R701 WeakPolarHBondContact OD1-CB 3.26Å; N699-R701 PolarHBondContact OD1-N 3.44Å
702E80.9Confident82.5Confident133 Ų13359 Ų5962%0.62129%0.294SS*.THydrogen-bonded Turntrans-87.5-18.3176.5-73.9164.3-153.700113.3N699 S704N699-E702 HydrophobicContact CB-CB 4.43Å; N699-E702 PolarHBondContact ND2-OE1 3.1Å; N699-E702 PolarHBondContact ND2-OE2 3.16Å; N699-E702 VanDerWaalsContact ND2-OE2 3.14Å; N699-E702 PolarHBondContact OD1-N 3.12Å; E702-S704 VanDerWaalsContact C-N 3.31Å; E702-S704 WeakPolarHBondContact CB-OG 3.49Å; E702-S704 PolarHBondContact OE2-OG 3.48Å
703M86.9Confident82.8Confident57 Ų5758.8 Ų58.828%0.28129%0.292SS..THydrogen-bonded Turntrans57.446.6-167.4-56.7-69.4-71.100111.2W662 Y683 N699 I710 R712W662-M703 HydrophobicContact CH2-CE 4.33Å; W662-M703 HydrophobicContact CZ3-CE 4.03Å; Y683-M703 HydrophobicContact CE2-SD 4.44Å; N699-M703 WeakPolarHBondContact O-CA 3.33Å; N699-M703 PolarHBondContact O-N 3.11Å; M703-I710 VanDerWaalsContact C-CG1 3.46Å; M703-I710 HydrophobicContact CB-CG1 4.43Å; M703-I710 WeakPolarHBondContact O-CG1 3.41Å; M703-I710 PolarHBondContact O-N 2.92Å; M703-R712 HydrophobicContact CE-CB 4.49Å
704S86.9Confident83.6Confident15 Ų1559 Ų5911%0.10529%0.294CS..EExtended strand (participates in β ladder)trans-120.8159.3177.862.10000111.3I698 N699 E702 I708I698-S704 WeakPolarHBondContact CA-O 3.41Å; N699-S704 PolarHBondContact N-O 3.09Å; N699-S704 PolarHBondContact O-N 3.29Å; E702-S704 VanDerWaalsContact C-N 3.31Å; E702-S704 WeakPolarHBondContact CB-OG 3.49Å; E702-S704 PolarHBondContact OE2-OG 3.48Å; S704-I708 CarbonylContact C-O 3.48Å; S704-I708 WeakPolarHBondContact CA-O 3.43Å
705C84.3Confident84.2Confident0 Ų057.2 Ų57.20%027%0.274CS..EExtended strand (participates in β ladder)trans-138.3103.5173.5-177.30000107.4F673 T697 I698 F707 I708 I710F673-C705 HydrophobicContact CZ-CB 4.16Å; T697-C705 WeakPolarHBondContact O-CA 3.35Å; I698-C705 HydrophobicContact CG1-CB 4.08Å; C705-F707 PolarHBondContact O-N 3.06Å; C705-I708 PolarHBondContact N-O 2.93Å; C705-I708 WeakPolarHBondContact O-CA 3.39Å; C705-I708 VanDerWaalsContact O-CB 3.23Å; C705-I708 WeakPolarHBondContact O-CB 3.32Å; C705-I708 PolarHBondContact O-N 2.69Å; C705-I710 HydrophobicContact CB-CG2 3.47Å; C705-I710 VanDerWaalsContact CB-CG2 3.47Å
706D78.8Confident84.8Confident60 Ų6054.5 Ų54.532%0.32126%0.256SS..THydrogen-bonded Turntrans49.648.4-174.4-43.9-75000111.8Y696 T697 I708Y696-D706 WeakPolarHBondContact CA-OD2 3.46Å; T697-D706 WeakPolarHBondContact CA-OD1 3.3Å; T697-D706 WeakPolarHBondContact CB-OD1 3.36Å; T697-D706 PolarHBondContact N-OD1 3.08Å; T697-D706 PolarHBondContact N-OD2 3.33Å; T697-D706 PolarHBondContact O-N 3.11Å; T697-D706 PolarHBondContact OG1-OD1 3.46Å; D706-I708 PolarHBondContact O-N 2.85Å
707F77.6Confident85.2Confident196 Ų19650.2 Ų50.286%0.8624%0.24SC*.THydrogen-bonded Turntrans68.4-8.4-172.7-44.9-77.4000116.8C705C705-F707 PolarHBondContact O-N 3.06Å
708I83.3Confident85.2Confident54 Ų5448.3 Ų48.328%0.27723%0.229SC..EExtended strand (participates in β ladder)trans-75.5129.8174-55177.4000110M664 F665 S704 C705 D706M664-I708 HydrophobicContact CB-CG2 4.34Å; F665-I708 WeakPolarHBondContact O-CG2 3.48Å; S704-I708 CarbonylContact C-O 3.48Å; S704-I708 WeakPolarHBondContact CA-O 3.43Å; C705-I708 PolarHBondContact N-O 2.93Å; C705-I708 WeakPolarHBondContact O-CA 3.39Å; C705-I708 VanDerWaalsContact O-CB 3.23Å; C705-I708 WeakPolarHBondContact O-CB 3.32Å; C705-I708 PolarHBondContact O-N 2.69Å; D706-I708 PolarHBondContact O-N 2.85Å
709P87Confident84.9Confident71 Ų7150.9 Ų50.946%0.46124%0.244SC..EExtended strand (participates in β ladder)trans-62.7136.4175.8-23.934.6000113.1F665F665-P709 HydrophobicContact CB-CB 4.45Å; F665-P709 PolarHBondContact N-O 3.46Å
710I90.1Very high84.7Confident9 Ų952.4 Ų52.45%0.04626%0.255CS..EExtended strand (participates in β ladder)trans-122.8154.9175.268.5166.1000112.5W662 Q663 M664 F673 I698 M703 C705W662-I710 HydrophobicContact CE3-CD1 4.01Å; W662-I710 HydrophobicContact CZ3-CD1 3.71Å; W662-I710 HydrophobicContact CZ3-CG1 4.47Å; Q663-I710 CarbonylContact O-C 3.54Å; Q663-I710 VanDerWaalsContact O-CA 3.25Å; Q663-I710 WeakPolarHBondContact O-CA 3.34Å; Q663-I710 WeakPolarHBondContact O-CB 3.36Å; M664-I710 HydrophobicContact CB-CG2 3.79Å; F673-I710 HydrophobicContact CE2-CB 4.31Å; F673-I710 HydrophobicContact CE2-CG2 3.81Å; F673-I710 HydrophobicContact CZ-CG2 3.85Å; I698-I710 HydrophobicContact CG2-CD1 3.51Å; M703-I710 VanDerWaalsContact C-CG1 3.46Å; M703-I710 HydrophobicContact CB-CG1 4.43Å; M703-I710 WeakPolarHBondContact O-CG1 3.41Å; M703-I710 PolarHBondContact O-N 2.92Å; C705-I710 HydrophobicContact CB-CG2 3.47Å; C705-I710 VanDerWaalsContact CB-CG2 3.47Å
711R89.1Confident84.4Confident68 Ų6857 Ų5726%0.25727%0.274SS..EExtended strand (participates in β ladder)trans-134.8144.3174.474.1-174.6-174.8-175.62.4112.2Q663 W670 L713Q663-R711 HydrophobicContact CB-CG 4.15Å; Q663-R711 PolarHBondContact N-O 3.37Å; Q663-R711 PolarHBondContact O-N 3.25Å; Q663-R711 VanDerWaalsContact OE1-CZ 3.29Å; W670-R711 VanDerWaalsContact CD1-CZ 3.46Å; W670-R711 HydrophobicContact CD2-CG 4.22Å; W670-R711 HydrophobicContact CE3-CB 4.45Å; W670-R711 HydrophobicContact CE3-CG 3.62Å; W670-R711 HydrophobicContact CH2-CB 4.09Å; W670-R711 HydrophobicContact CH2-CG 4.05Å; W670-R711 HydrophobicContact CZ3-CB 3.85Å; W670-R711 HydrophobicContact CZ3-CG 3.53Å; R711-L713 HydrophobicContact CG-CD2 4.46Å
712R90Very high83.8Confident32 Ų3249.9 Ų49.912%0.12126%0.256CS..EExtended strand (participates in β ladder)trans-104.6109.9167.1-177.9-173.6173.4-83.6-1.2108.8W662 E680 M703 S714 W730W662-R712 HydrophobicContact CD2-CB 3.97Å; W662-R712 HydrophobicContact CD2-CG 4.19Å; W662-R712 HydrophobicContact CE3-CB 3.94Å; W662-R712 HydrophobicContact CH2-CB 3.9Å; W662-R712 HydrophobicContact CH2-CG 4.4Å; W662-R712 HydrophobicContact CZ2-CB 3.9Å; W662-R712 HydrophobicContact CZ2-CG 3.9Å; W662-R712 HydrophobicContact CZ3-CB 3.9Å; E680-R712 VanDerWaalsContact CD-NE 3.32Å; E680-R712 IonicContact OE1-CZ 3.58Å; E680-R712 VanDerWaalsContact OE1-CZ 3.25Å; E680-R712 IonicContact OE1-NE 2.64Å; E680-R712 PolarHBondContact OE1-NE 3.48Å; E680-R712 IonicContact OE1-NH2 2.97Å; E680-R712 PolarHBondContact OE1-NH2 3.49Å; E680-R712 WeakPolarHBondContact OE2-CD 3.36Å; E680-R712 IonicContact OE2-CZ 2.65Å; E680-R712 IonicContact OE2-NE 2.69Å; E680-R712 PolarHBondContact OE2-NE 2.71Å; E680-R712 IonicContact OE2-NH2 3.76Å; M703-R712 HydrophobicContact CE-CB 4.49Å; R712-S714 VanDerWaalsContact NH1-CB 3.29Å; R712-W730 VanDerWaalsContact NH1-CH2 3.33Å
713L88.3Confident83.1Confident12 Ų1248.4 Ų48.46%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-79.9152.4164.2-53.1179.1000108.9I636 V654 Y660 R661 R711I636-L713 HydrophobicContact CD1-CB 4.44Å; I636-L713 HydrophobicContact CG1-CB 4.37Å; V654-L713 HydrophobicContact CG2-CD1 4.25Å; Y660-L713 CarbonylContact C-O 3.54Å; Y660-L713 VanDerWaalsContact CA-O 3.3Å; Y660-L713 WeakPolarHBondContact CA-O 3.25Å; R661-L713 HydrophobicContact CB-CB 4.26Å; R661-L713 PolarHBondContact N-O 2.82Å; R661-L713 PolarHBondContact O-N 3.31Å; R711-L713 HydrophobicContact CG-CD2 4.46Å
714S88.4Confident82.6Confident21 Ų2146.9 Ų46.915%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-147.6171.5174.3740000113.8E635 I636 P659 R712E635-S714 WeakPolarHBondContact CA-O 3.44Å; I636-S714 PolarHBondContact N-O 2.97Å; P659-S714 CarbonylContact O-C 3.42Å; P659-S714 VanDerWaalsContact O-CA 3.3Å; P659-S714 WeakPolarHBondContact O-CA 3.45Å; R712-S714 VanDerWaalsContact NH1-CB 3.29Å
715T85.6Confident82.1Confident2 Ų250.4 Ų50.41%0.01228%0.282CS..PPolyproline II helixtrans-66.3161.416153.80000111.2I636 L638 L641 P659 F726 T728I636-T715 HydrophobicContact CB-CG2 4.04Å; I636-T715 HydrophobicContact CG2-CG2 4.16Å; L638-T715 HydrophobicContact CD2-CG2 3.6Å; L641-T715 HydrophobicContact CD1-CG2 3.51Å; P659-T715 HydrophobicContact CB-CG2 3.89Å; P659-T715 PolarHBondContact O-N 2.76Å; P659-T715 PolarHBondContact O-OG1 3.14Å; T715-F726 VanDerWaalsContact CB-O 3.27Å; T715-F726 WeakPolarHBondContact CB-O 3.32Å; T715-F726 WeakPolarHBondContact CG2-O 3.36Å; T715-F726 PolarHBondContact OG1-O 3.01Å; T715-T728 PolarHBondContact O-OG1 3.37Å; T715-T728 PolarHBondContact OG1-N 3.18Å; T715-T728 VanDerWaalsContact OG1-N 3.11Å; T715-T728 PolarHBondContact OG1-OG1 2.92Å
716P83.9Confident82Confident5 Ų550.6 Ų50.63%0.03228%0.283CS..PPolyproline II helixtrans-52.6151.8171-2633.4000112.8L638 K721 A727 T728L638-P716 HydrophobicContact CD1-CG 3.93Å; L638-P716 HydrophobicContact CG-CG 4.38Å; P716-K721 HydrophobicContact CB-CB 4.35Å; P716-K721 HydrophobicContact CB-CG 3.67Å; P716-K721 HydrophobicContact CG-CG 4.1Å; P716-A727 CarbonylContact O-C 3.55Å; P716-A727 WeakPolarHBondContact O-CA 3.23Å; P716-A727 WeakPolarHBondContact O-CB 3.48Å; P716-T728 PolarHBondContact O-N 3.45Å
717S84.5Confident82.3Confident5 Ų548.3 Ų48.34%0.03527%0.272CS..BIsolated β-bridgetrans-60.1145.8177.5-178.90000112.1V719 T720 K721 T728 E762S717-V719 PolarHBondContact O-N 3.28Å; S717-T720 PolarHBondContact O-N 3.4Å; S717-T720 PolarHBondContact O-OG1 3.06Å; S717-K721 PolarHBondContact O-N 3.43Å; S717-T728 CarbonylContact C-O 3.5Å; S717-T728 WeakPolarHBondContact CA-O 3.39Å; S717-E762 WeakPolarHBondContact CB-OE1 3.14Å; S717-E762 PolarHBondContact OG-OE1 3.21Å
718S82.8Confident82.7Confident24 Ų2439.4 Ų39.417%0.16823%0.234CC..THydrogen-bonded Turntrans-57.5-21.817663.90000113.3P722 T728 K729S718-P722 WeakPolarHBondContact O-CA 3.46Å; S718-P722 VanDerWaalsContact O-CB 3.28Å; S718-P722 WeakPolarHBondContact O-CB 3.39Å; S718-P722 WeakPolarHBondContact O-CD 3.23Å; S718-P722 VanDerWaalsContact O-N 3.15Å; S718-T728 PolarHBondContact N-O 3.23Å; S718-K729 WeakPolarHBondContact OG-CA 3.3Å
719V81.4Confident82.9Confident53 Ų5341.6 Ų41.632%0.32124%0.242SC..THydrogen-bonded Turntrans-75.2-35.9174.3-178.30000112.2S717 P722 E762S717-V719 PolarHBondContact O-N 3.28Å; V719-P722 WeakPolarHBondContact O-CD 3.5Å; V719-E762 HydrophobicContact CG2-CB 4.15Å; V719-E762 HydrophobicContact CG2-CG 3.66Å
720T80.1Confident83.1Confident62 Ų6239 Ų3938%0.3822%0.223SC..THydrogen-bonded Turntrans-85.5-28.2-178.966.70000112.5S717 P722S717-T720 PolarHBondContact O-N 3.4Å; S717-T720 PolarHBondContact O-OG1 3.06Å; T720-P722 VanDerWaalsContact C-CD 3.47Å
721K79.4Confident83.1Confident104 Ų10439.5 Ų39.545%0.45223%0.225SC..  trans-128.956.1176.7-58-65.1176.8-170.70113.5L638 P716 S717 A723 S724 A727L638-K721 HydrophobicContact CD1-CB 4.03Å; L638-K721 HydrophobicContact CD1-CG 3.91Å; P716-K721 HydrophobicContact CB-CB 4.35Å; P716-K721 HydrophobicContact CB-CG 3.67Å; P716-K721 HydrophobicContact CG-CG 4.1Å; S717-K721 PolarHBondContact O-N 3.43Å; K721-A723 PolarHBondContact O-N 2.9Å; K721-A723 VanDerWaalsContact O-N 3.07Å; K721-S724 PolarHBondContact O-N 3.3Å; K721-A727 HydrophobicContact CB-CB 4.16Å; K721-A727 WeakPolarHBondContact O-CB 3.32Å
722P70.4Confident83.3Confident65 Ų6536.2 Ų36.242%0.42221%0.213SC..THydrogen-bonded Turntrans-62.8-20.7-175.724.2-34.7000114.6F118 S718 V719 T720 S724F118-P722 HydrophobicContact CE1-CG 4.09Å; F118-P722 HydrophobicContact CZ-CG 3.96Å; S718-P722 WeakPolarHBondContact O-CA 3.46Å; S718-P722 VanDerWaalsContact O-CB 3.28Å; S718-P722 WeakPolarHBondContact O-CB 3.39Å; S718-P722 WeakPolarHBondContact O-CD 3.23Å; S718-P722 VanDerWaalsContact O-N 3.15Å; V719-P722 WeakPolarHBondContact O-CD 3.5Å; T720-P722 VanDerWaalsContact C-CD 3.47Å; P722-S724 VanDerWaalsContact C-N 3.25Å; P722-S724 PolarHBondContact O-N 3.25Å
723A66.7Low83.3Confident101 Ų10136.3 Ų36.384%0.83521%0.214SC*.THydrogen-bonded Turntrans-80-1175.200000113.9K721K721-A723 PolarHBondContact O-N 2.9Å; K721-A723 VanDerWaalsContact O-N 3.07Å
724S75.5Confident83.3Confident26 Ų2638.3 Ų38.318%0.18222%0.22CC..  trans-108.9120.4175.1-170.60000110.4K721 P722 F726 A727K721-S724 PolarHBondContact O-N 3.3Å; P722-S724 VanDerWaalsContact C-N 3.25Å; P722-S724 PolarHBondContact O-N 3.25Å; S724-F726 PolarHBondContact O-N 3.3Å; S724-F726 VanDerWaalsContact O-N 3.16Å; S724-A727 WeakPolarHBondContact O-CB 3.48Å; S724-A727 PolarHBondContact O-N 3.46Å; S724-A727 VanDerWaalsContact O-N 3.1Å
725V76.3Confident83.3Confident89 Ų8940.5 Ų40.554%0.53923%0.227SC..THydrogen-bonded Turntrans-63.8-20.2178.3-152.70000112M817V725-M817 HydrophobicContact CB-CB 4.32Å; V725-M817 HydrophobicContact CB-CG 4.23Å; V725-M817 HydrophobicContact CB-SD 4.4Å; V725-M817 HydrophobicContact CG1-CB 4.19Å; V725-M817 HydrophobicContact CG1-CE 4.28Å; V725-M817 HydrophobicContact CG1-CG 3.62Å; V725-M817 HydrophobicContact CG1-SD 3.94Å
726F82.3Confident83.2Confident3 Ų342.2 Ų42.21%0.01324%0.236CC..THydrogen-bonded Turntrans-900.5177.5-62.8-61.3000114.8L638 L641 Y642 T715 S724 V814 M817 K818L638-F726 HydrophobicContact CD2-CB 3.8Å; L641-F726 HydrophobicContact CB-CB 4.38Å; L641-F726 HydrophobicContact CB-CD1 4.44Å; L641-F726 HydrophobicContact CB-CD2 3.8Å; L641-F726 HydrophobicContact CB-CE2 4.21Å; L641-F726 HydrophobicContact CB-CG 3.94Å; L641-F726 HydrophobicContact CD1-CB 4.04Å; L641-F726 HydrophobicContact CD1-CG 4.31Å; Y642-F726 HydrophobicContact CD2-CD2 4.39Å; Y642-F726 AromaticContact CD2-CE2 3.93Å; Y642-F726 HydrophobicContact CD2-CE2 3.93Å; T715-F726 VanDerWaalsContact CB-O 3.27Å; T715-F726 WeakPolarHBondContact CB-O 3.32Å; T715-F726 WeakPolarHBondContact CG2-O 3.36Å; T715-F726 PolarHBondContact OG1-O 3.01Å; S724-F726 PolarHBondContact O-N 3.3Å; S724-F726 VanDerWaalsContact O-N 3.16Å; F726-V814 HydrophobicContact CE1-CB 4.23Å; F726-V814 HydrophobicContact CE1-CG1 3.79Å; F726-V814 HydrophobicContact CE1-CG2 4.41Å; F726-V814 HydrophobicContact CZ-CG1 4.48Å; F726-M817 HydrophobicContact CD1-CB 4.27Å; F726-M817 HydrophobicContact CD1-SD 3.85Å; F726-M817 HydrophobicContact CE1-CB 3.41Å; F726-M817 VanDerWaalsContact CE1-CB 3.41Å; F726-M817 HydrophobicContact CE1-CG 4.22Å; F726-M817 HydrophobicContact CE1-SD 3.79Å; F726-M817 HydrophobicContact CE2-CB 4.37Å; F726-M817 HydrophobicContact CZ-CB 3.46Å; F726-M817 VanDerWaalsContact CZ-CB 3.46Å; F726-K818 HydrophobicContact CE1-CG 4.44Å; F726-K818 HydrophobicContact CE2-CG 4.22Å; F726-K818 HydrophobicContact CZ-CB 4.44Å; F726-K818 HydrophobicContact CZ-CG 3.54Å
727A85.1Confident82.9Confident12 Ų1249.9 Ų49.910%0.09927%0.272CS..SBendtrans-69.4134.4176.900000110.8P716 K721 S724 K729P716-A727 CarbonylContact O-C 3.55Å; P716-A727 WeakPolarHBondContact O-CA 3.23Å; P716-A727 WeakPolarHBondContact O-CB 3.48Å; K721-A727 HydrophobicContact CB-CB 4.16Å; K721-A727 WeakPolarHBondContact O-CB 3.32Å; S724-A727 WeakPolarHBondContact O-CB 3.48Å; S724-A727 PolarHBondContact O-N 3.46Å; S724-A727 VanDerWaalsContact O-N 3.1Å; A727-K729 PolarHBondContact O-N 3.42Å; A727-K729 VanDerWaalsContact O-N 3.09Å
728T86.2Confident82.3Confident10 Ų1053.8 Ų53.86%0.06130%0.299CS..BIsolated β-bridgetrans-66.9112.2-175.9-64.90000109.6T715 P716 S717 S718 W730 P806T715-T728 PolarHBondContact O-OG1 3.37Å; T715-T728 PolarHBondContact OG1-N 3.18Å; T715-T728 VanDerWaalsContact OG1-N 3.11Å; T715-T728 PolarHBondContact OG1-OG1 2.92Å; P716-T728 PolarHBondContact O-N 3.45Å; S717-T728 CarbonylContact C-O 3.5Å; S717-T728 WeakPolarHBondContact CA-O 3.39Å; S718-T728 PolarHBondContact N-O 3.23Å; T728-W730 HydrophobicContact CG2-CD2 4.16Å; T728-W730 HydrophobicContact CG2-CG 4.39Å; T728-W730 HydrophobicContact CG2-CZ2 4.01Å; T728-W730 VanDerWaalsContact O-CD1 3.24Å; T728-P806 HydrophobicContact CG2-CB 3.96Å
729K88.3Confident82Confident99 Ų9954.6 Ų54.643%0.4331%0.311SS..  trans-76.4126.2169.7-176.6171.6-178.8173.30109.3S718 A727 P806 K807S718-K729 WeakPolarHBondContact OG-CA 3.3Å; A727-K729 PolarHBondContact O-N 3.42Å; A727-K729 VanDerWaalsContact O-N 3.09Å; K729-P806 CarbonylContact O-C 3.58Å; K729-P806 WeakPolarHBondContact O-CA 3.43Å; K729-K807 HydrophobicContact CB-CB 4.36Å; K729-K807 PolarHBondContact O-N 3.28Å
730W91.2Very high82.1Confident18 Ų1855.6 Ų55.67%0.06832%0.317CS..EExtended strand (participates in β ladder)trans-103.8149.1175.1-64.490.7000110.8R712 T728 E762 R804 P806R712-W730 VanDerWaalsContact NH1-CH2 3.33Å; T728-W730 HydrophobicContact CG2-CD2 4.16Å; T728-W730 HydrophobicContact CG2-CG 4.39Å; T728-W730 HydrophobicContact CG2-CZ2 4.01Å; T728-W730 VanDerWaalsContact O-CD1 3.24Å; W730-E762 HydrophobicContact CB-CG 4.12Å; W730-E762 WeakPolarHBondContact CB-OE2 3.46Å; W730-E762 VanDerWaalsContact CD1-OE1 3.26Å; W730-R804 VanDerWaalsContact CD1-NH2 3.3Å; W730-R804 VanDerWaalsContact CE2-NH2 3.26Å; W730-R804 HydrophobicContact CE3-CG 3.99Å; W730-R804 VanDerWaalsContact CH2-NH1 3.34Å; W730-P806 HydrophobicContact CE3-CB 4.2Å; W730-P806 HydrophobicContact CZ3-CB 4.23Å; W730-P806 HydrophobicContact CZ3-CG 4.4Å
731I89.9Confident82.4Confident18 Ų1854.3 Ų54.39%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-130.3140.1-177.7-52.9179.4000108.2Y733 Q743 R804 R805 K807I731-Y733 HydrophobicContact CB-CE2 3.85Å; I731-Y733 HydrophobicContact CG2-CD2 4.3Å; I731-Y733 HydrophobicContact CG2-CE1 4.07Å; I731-Y733 HydrophobicContact CG2-CE2 3.59Å; I731-Y733 VanDerWaalsContact CG2-CZ 3.46Å; I731-Q743 HydrophobicContact CG2-CG 3.58Å; I731-R804 WeakPolarHBondContact O-CA 3.1Å; I731-R805 PolarHBondContact N-O 3.44Å; I731-R805 PolarHBondContact O-N 2.8Å; I731-K807 HydrophobicContact CD1-CB 4.01Å; I731-K807 HydrophobicContact CD1-CG 4.26Å
732W92.1Very high82.7Confident0 Ų051.7 Ų51.70%030%0.296CS..EExtended strand (participates in β ladder)trans-112.9134.3-178.2-7279.1000109.9Q743 Y744 S758 L761 E762 Y765 F786 M789 V802 R804W732-Q743 WeakPolarHBondContact O-CA 3.16Å; W732-Y744 HydrophobicContact CB-CD2 3.7Å; W732-Y744 HydrophobicContact CB-CE2 4.37Å; W732-Y744 WeakPolarHBondContact O-CD2 3.48Å; W732-Y744 PolarHBondContact O-N 2.74Å; W732-S758 PolarHBondContact N-OG 3.25Å; W732-S758 PolarHBondContact O-OG 3.49Å; W732-L761 HydrophobicContact CB-CB 4.48Å; W732-L761 HydrophobicContact CB-CD1 3.96Å; W732-L761 HydrophobicContact CD2-CB 4.06Å; W732-L761 HydrophobicContact CD2-CD1 4.41Å; W732-L761 HydrophobicContact CG-CB 3.91Å; W732-L761 HydrophobicContact CG-CD1 4.17Å; W732-E762 PolarHBondContact NE1-OE2 2.94Å; W732-Y765 AromaticContact CH2-CD2 3.63Å; W732-Y765 HydrophobicContact CH2-CD2 3.63Å; W732-Y765 HydrophobicContact CH2-CE2 4.22Å; W732-Y765 AromaticContact CH2-CG 3.87Å; W732-Y765 HydrophobicContact CH2-CG 3.87Å; W732-Y765 HydrophobicContact CZ2-CD1 4.06Å; W732-Y765 AromaticContact CZ2-CD2 3.81Å; W732-Y765 HydrophobicContact CZ2-CD2 3.81Å; W732-Y765 AromaticContact CZ2-CG 3.51Å; W732-Y765 HydrophobicContact CZ2-CG 3.51Å; W732-F786 HydrophobicContact CE3-CE1 4.47Å; W732-F786 AromaticContact CH2-CD1 3.37Å; W732-F786 HydrophobicContact CH2-CD1 3.37Å; W732-F786 AromaticContact CH2-CE1 3.57Å; W732-F786 HydrophobicContact CH2-CE1 3.57Å; W732-F786 HydrophobicContact CH2-CG 4.37Å; W732-F786 HydrophobicContact CZ2-CD1 4.21Å; W732-F786 HydrophobicContact CZ2-CE1 4.01Å; W732-F786 AromaticContact CZ3-CD1 3.66Å; W732-F786 HydrophobicContact CZ3-CD1 3.66Å; W732-F786 AromaticContact CZ3-CE1 3.83Å; W732-F786 HydrophobicContact CZ3-CE1 3.83Å; W732-M789 HydrophobicContact CH2-CE 3.88Å; W732-M789 HydrophobicContact CH2-SD 4.12Å; W732-M789 HydrophobicContact CZ3-CE 4.07Å; W732-M789 HydrophobicContact CZ3-SD 3.67Å; W732-V802 HydrophobicContact CE3-CG1 3.74Å; W732-V802 HydrophobicContact CZ3-CG1 4.04Å; W732-R804 HydrophobicContact CD2-CB 4.13Å; W732-R804 HydrophobicContact CD2-CG 4.19Å; W732-R804 HydrophobicContact CE3-CB 4.15Å; W732-R804 HydrophobicContact CH2-CB 4.18Å; W732-R804 HydrophobicContact CH2-CG 4.33Å; W732-R804 HydrophobicContact CZ2-CB 4.16Å; W732-R804 HydrophobicContact CZ2-CG 3.83Å; W732-R804 HydrophobicContact CZ3-CB 4.17Å
733Y89.8Confident83.5Confident34 Ų3451.8 Ų51.813%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-129.2148.9179.6-51.9-98000111P686 I731 I742 Q743 V802 I803 R805P686-Y733 HydrophobicContact CB-CD2 3.92Å; P686-Y733 HydrophobicContact CB-CE2 4.31Å; P686-Y733 HydrophobicContact CB-CG 4.08Å; P686-Y733 HydrophobicContact CG-CD1 3.97Å; P686-Y733 HydrophobicContact CG-CD2 3.98Å; P686-Y733 HydrophobicContact CG-CE1 4.05Å; P686-Y733 HydrophobicContact CG-CE2 4.06Å; P686-Y733 HydrophobicContact CG-CG 3.94Å; I731-Y733 HydrophobicContact CB-CE2 3.85Å; I731-Y733 HydrophobicContact CG2-CD2 4.3Å; I731-Y733 HydrophobicContact CG2-CE1 4.07Å; I731-Y733 HydrophobicContact CG2-CE2 3.59Å; I731-Y733 VanDerWaalsContact CG2-CZ 3.46Å; Y733-I742 CarbonylContact C-O 3.58Å; Y733-I742 WeakPolarHBondContact CA-O 3.33Å; Y733-Q743 HydrophobicContact CD1-CB 3.86Å; Y733-Q743 HydrophobicContact CD1-CG 4.48Å; Y733-Q743 HydrophobicContact CE1-CB 3.91Å; Y733-Q743 HydrophobicContact CE1-CG 4.35Å; Y733-V802 CarbonylContact O-C 3.53Å; Y733-V802 VanDerWaalsContact O-CA 3.28Å; Y733-V802 WeakPolarHBondContact O-CA 3.46Å; Y733-V802 WeakPolarHBondContact O-CG1 3.46Å; Y733-I803 HydrophobicContact CD2-CG2 4.32Å; Y733-I803 PolarHBondContact N-O 3.25Å; Y733-I803 PolarHBondContact O-N 3.11Å; Y733-R805 HydrophobicContact CE2-CB 4.18Å; Y733-R805 HydrophobicContact CE2-CG 4.46Å
734W89.5Confident84.3Confident53 Ų5347 Ų4720%0.20125%0.251CS..EExtended strand (participates in β ladder)trans-120.7146.2170.462-81.4000110.6N736 I742 Y744 K800 D801 V802W734-N736 HydrophobicContact CE3-CB 4.35Å; W734-N736 HydrophobicContact CH2-CB 4.11Å; W734-N736 HydrophobicContact CZ3-CB 3.7Å; W734-I742 VanDerWaalsContact CD1-O 3.25Å; W734-I742 HydrophobicContact CD2-CB 4.41Å; W734-I742 HydrophobicContact CH2-CD1 3.95Å; W734-I742 HydrophobicContact CZ2-CB 4.05Å; W734-I742 HydrophobicContact CZ2-CD1 3.84Å; W734-I742 HydrophobicContact CZ2-CG1 4.49Å; W734-I742 HydrophobicContact CZ2-CG2 4.02Å; W734-I742 PolarHBondContact N-O 3.21Å; W734-I742 PolarHBondContact O-N 3.41Å; W734-Y744 HydrophobicContact CB-CE2 3.9Å; W734-Y744 AromaticContact CD1-CD1 3.98Å; W734-Y744 AromaticContact CD1-CE1 3.76Å; W734-Y744 AromaticContact CD1-CE2 3.91Å; W734-Y744 AromaticContact CD1-CZ 3.76Å; W734-Y744 HydrophobicContact CG-CE1 4.33Å; W734-Y744 HydrophobicContact CG-CE2 4.3Å; W734-K800 HydrophobicContact CE3-CD 4Å; W734-K800 HydrophobicContact CZ3-CD 4.07Å; W734-D801 CarbonylContact C-O 3.53Å; W734-D801 WeakPolarHBondContact CA-O 3.46Å; W734-V802 HydrophobicContact CB-CG2 4Å
735K88.8Confident84.2Confident68 Ų6847.6 Ų47.630%0.29626%0.261SS..EExtended strand (participates in β ladder)trans-87.3124.8-178.4-163.7175.8177.6-178.30110.1W741 K800 D801K735-W741 HydrophobicContact CB-CD2 4.25Å; K735-W741 HydrophobicContact CB-CE3 3.84Å; K735-W741 HydrophobicContact CB-CH2 4.06Å; K735-W741 HydrophobicContact CB-CZ2 4.44Å; K735-W741 HydrophobicContact CB-CZ3 3.74Å; K735-W741 HydrophobicContact CD-CH2 4.42Å; K735-W741 HydrophobicContact CD-CZ2 4.22Å; K735-K800 WeakPolarHBondContact O-CD 3.42Å; K735-D801 HydrophobicContact CB-CB 3.96Å; K735-D801 HydrophobicContact CD-CB 4.12Å; K735-D801 VanDerWaalsContact CD-OD2 3.23Å; K735-D801 WeakPolarHBondContact CD-OD2 3.34Å; K735-D801 PolarHBondContact N-O 3.05Å; K735-D801 IonicContact NZ-OD2 3.33Å; K735-D801 PolarHBondContact NZ-OD2 3.33Å
736N82.2Confident84Confident37 Ų3746.9 Ų46.920%0.19825%0.252CS..  trans-83.7179.7-18082.8-6.1000112.3W734 S738 G739 T740 I742W734-N736 HydrophobicContact CE3-CB 4.35Å; W734-N736 HydrophobicContact CH2-CB 4.11Å; W734-N736 HydrophobicContact CZ3-CB 3.7Å; N736-S738 PolarHBondContact ND2-OG 3.28Å; N736-S738 PolarHBondContact O-N 3.44Å; N736-S738 VanDerWaalsContact OD1-C 3.26Å; N736-S738 WeakPolarHBondContact OD1-CA 3.41Å; N736-S738 PolarHBondContact OD1-N 2.69Å; N736-S738 PolarHBondContact OD1-OG 3.41Å; N736-G739 PolarHBondContact O-N 2.93Å; N736-G739 VanDerWaalsContact O-N 3.09Å; N736-G739 PolarHBondContact OD1-N 2.96Å; N736-G739 VanDerWaalsContact OD1-N 3.13Å; N736-T740 PolarHBondContact N-O 3.28Å; N736-T740 WeakPolarHBondContact OD1-CA 3.45Å; N736-T740 WeakPolarHBondContact OD1-CB 3.5Å; N736-T740 PolarHBondContact OD1-N 3.28Å; N736-T740 PolarHBondContact OD1-O 2.93Å; N736-T740 PolarHBondContact OD1-OG1 3.01Å; N736-I742 HydrophobicContact CB-CD1 3.81Å; N736-I742 HydrophobicContact CB-CG1 4.38Å
737E78Confident82.7Confident167 Ų16754 Ų5478%0.7829%0.285SS*.THydrogen-bonded Turntrans-70.9-14.1-179.6-75149.3-12900113.5K800E737-K800 WeakPolarHBondContact OE1-CE 3.16Å; E737-K800 IonicContact OE1-NZ 2.64Å; E737-K800 PolarHBondContact OE1-NZ 3.48Å
738S71.9Confident81Confident86 Ų8659 Ų5960%0.60131%0.305SS*.THydrogen-bonded Turntrans-95.918.5169.365.30000113.1N736 T740N736-S738 PolarHBondContact ND2-OG 3.28Å; N736-S738 PolarHBondContact O-N 3.44Å; N736-S738 VanDerWaalsContact OD1-C 3.26Å; N736-S738 WeakPolarHBondContact OD1-CA 3.41Å; N736-S738 PolarHBondContact OD1-N 2.69Å; N736-S738 PolarHBondContact OD1-OG 3.41Å; S738-T740 PolarHBondContact O-N 2.88Å; S738-T740 VanDerWaalsContact O-N 3.13Å; S738-T740 PolarHBondContact O-OG1 2.81Å; S738-T740 PolarHBondContact OG-OG1 2.67Å
739G76.7Confident78.9Confident41 Ų4165.8 Ų65.842%0.42334%0.341SS..SBendtrans69.74.1179.700000115.3N736N736-G739 PolarHBondContact O-N 2.93Å; N736-G739 VanDerWaalsContact O-N 3.09Å; N736-G739 PolarHBondContact OD1-N 2.96Å; N736-G739 VanDerWaalsContact OD1-N 3.13Å
740T84Confident76.8Confident74 Ų7469.9 Ų69.945%0.45437%0.367SS..  trans-85.7133.3-175.9-400000110.9N736 S738N736-T740 PolarHBondContact N-O 3.28Å; N736-T740 WeakPolarHBondContact OD1-CA 3.45Å; N736-T740 WeakPolarHBondContact OD1-CB 3.5Å; N736-T740 PolarHBondContact OD1-N 3.28Å; N736-T740 PolarHBondContact OD1-O 2.93Å; N736-T740 PolarHBondContact OD1-OG1 3.01Å; S738-T740 PolarHBondContact O-N 2.88Å; S738-T740 VanDerWaalsContact O-N 3.13Å; S738-T740 PolarHBondContact O-OG1 2.81Å; S738-T740 PolarHBondContact OG-OG1 2.67Å
741W87.1Confident74.7Confident36 Ų3677.5 Ų77.514%0.13640%0.404CS..EExtended strand (participates in β ladder)trans-76.8125172.8-67.7109.8000111.1P686 K735 D801 I803P686-W741 HydrophobicContact CB-CB 4.03Å; P686-W741 HydrophobicContact CB-CD2 4.07Å; P686-W741 HydrophobicContact CB-CG 3.73Å; P686-W741 HydrophobicContact CG-CB 3.8Å; P686-W741 HydrophobicContact CG-CG 4Å; P686-W741 PolarHBondContact O-NE1 3.36Å; K735-W741 HydrophobicContact CB-CD2 4.25Å; K735-W741 HydrophobicContact CB-CE3 3.84Å; K735-W741 HydrophobicContact CB-CH2 4.06Å; K735-W741 HydrophobicContact CB-CZ2 4.44Å; K735-W741 HydrophobicContact CB-CZ3 3.74Å; K735-W741 HydrophobicContact CD-CH2 4.42Å; K735-W741 HydrophobicContact CD-CZ2 4.22Å; W741-D801 HydrophobicContact CH2-CB 3.67Å; W741-D801 HydrophobicContact CZ3-CB 4.17Å; W741-I803 HydrophobicContact CD2-CG2 3.95Å; W741-I803 HydrophobicContact CE3-CG2 3.63Å; W741-I803 HydrophobicContact CH2-CB 3.75Å; W741-I803 HydrophobicContact CH2-CG2 3.68Å; W741-I803 HydrophobicContact CZ2-CB 4.29Å; W741-I803 HydrophobicContact CZ2-CD1 4.47Å; W741-I803 HydrophobicContact CZ2-CG2 3.99Å; W741-I803 HydrophobicContact CZ3-CB 3.88Å; W741-I803 HydrophobicContact CZ3-CG2 3.49Å; W741-I803 VanDerWaalsContact CZ3-CG2 3.49Å
742I84.4Confident72.5Confident49 Ų4985.6 Ų85.625%0.25144%0.438SS..EExtended strand (participates in β ladder)trans-115.5132.8177.6-61.3-179.6000108.7Y733 W734 N736Y733-I742 CarbonylContact C-O 3.58Å; Y733-I742 WeakPolarHBondContact CA-O 3.33Å; W734-I742 VanDerWaalsContact CD1-O 3.25Å; W734-I742 HydrophobicContact CD2-CB 4.41Å; W734-I742 HydrophobicContact CH2-CD1 3.95Å; W734-I742 HydrophobicContact CZ2-CB 4.05Å; W734-I742 HydrophobicContact CZ2-CD1 3.84Å; W734-I742 HydrophobicContact CZ2-CG1 4.49Å; W734-I742 HydrophobicContact CZ2-CG2 4.02Å; W734-I742 PolarHBondContact N-O 3.21Å; W734-I742 PolarHBondContact O-N 3.41Å; N736-I742 HydrophobicContact CB-CD1 3.81Å; N736-I742 HydrophobicContact CB-CG1 4.38Å
743Q87.8Confident70.6Confident66 Ų6687.9 Ų87.931%0.30845%0.454SS..EExtended strand (participates in β ladder)trans-73.5138.2179.2-176.1-174.7-55.600111.3I731 W732 Y733 G745 E746I731-Q743 HydrophobicContact CG2-CG 3.58Å; W732-Q743 WeakPolarHBondContact O-CA 3.16Å; Y733-Q743 HydrophobicContact CD1-CB 3.86Å; Y733-Q743 HydrophobicContact CD1-CG 4.48Å; Y733-Q743 HydrophobicContact CE1-CB 3.91Å; Y733-Q743 HydrophobicContact CE1-CG 4.35Å; Q743-G745 PolarHBondContact O-N 2.66Å; Q743-E746 HydrophobicContact CB-CB 4.17Å; Q743-E746 PolarHBondContact O-N 2.9Å
744Y83.1Confident68.9Low2 Ų287.7 Ų87.71%0.00846%0.458CS..THydrogen-bonded Turntrans-66.1120168.6-73-82.5000110.6W732 W734 S758 L761 F775 L784 Q791 V802W732-Y744 HydrophobicContact CB-CD2 3.7Å; W732-Y744 HydrophobicContact CB-CE2 4.37Å; W732-Y744 WeakPolarHBondContact O-CD2 3.48Å; W732-Y744 PolarHBondContact O-N 2.74Å; W734-Y744 HydrophobicContact CB-CE2 3.9Å; W734-Y744 AromaticContact CD1-CD1 3.98Å; W734-Y744 AromaticContact CD1-CE1 3.76Å; W734-Y744 AromaticContact CD1-CE2 3.91Å; W734-Y744 AromaticContact CD1-CZ 3.76Å; W734-Y744 HydrophobicContact CG-CE1 4.33Å; W734-Y744 HydrophobicContact CG-CE2 4.3Å; Y744-S758 PolarHBondContact O-N 1.88Å; Y744-S758 PolarHBondContact O-OG 3.03Å; Y744-L761 HydrophobicContact CD1-CD1 3.96Å; Y744-L761 HydrophobicContact CD2-CD1 3.49Å; Y744-L761 VanDerWaalsContact CD2-CD1 3.49Å; Y744-L761 HydrophobicContact CE1-CD1 4.26Å; Y744-L761 HydrophobicContact CE2-CD1 3.8Å; Y744-L761 HydrophobicContact CG-CD1 3.55Å; Y744-F775 HydrophobicContact CE1-CE2 4.4Å; Y744-F775 AromaticContact CE1-CZ 3.9Å; Y744-F775 HydrophobicContact CE1-CZ 3.9Å; Y744-L784 HydrophobicContact CE2-CD2 4.5Å; Y744-Q791 PolarHBondContact OH-OE1 3.37Å; Y744-V802 HydrophobicContact CE2-CG1 4.11Å; Y744-V802 HydrophobicContact CE2-CG2 4.29Å; Y744-V802 VanDerWaalsContact OH-CG2 3.27Å; Y744-V802 WeakPolarHBondContact OH-CG2 3.37Å
745G74.1Confident67.5Low38 Ų3891.7 Ų91.739%0.39248%0.483SS..THydrogen-bonded Turntrans9311.1-178.400000115.8Q743Q743-G745 PolarHBondContact O-N 2.66Å
746E70.7Confident66.9Low74 Ų7489 Ų8935%0.34647%0.472SS..  trans-88.6126.9171.5-169.1-174.9-150.200111.2Q743 K748Q743-E746 HydrophobicContact CB-CB 4.17Å; Q743-E746 PolarHBondContact O-N 2.9Å; E746-K748 VanDerWaalsContact CD-CE 3.46Å; E746-K748 WeakPolarHBondContact OE1-CE 3.43Å; E746-K748 IonicContact OE1-NZ 2.71Å; E746-K748 PolarHBondContact OE1-NZ 3.34Å; E746-K748 IonicContact OE2-NZ 2.81Å; E746-K748 PolarHBondContact OE2-NZ 3.18Å
747E56.7Low67Low151 Ų15190.1 Ų90.171%0.70648%0.478SS*.  trans-94.3126.4175.6-59.1-157.7132.200111.5S753E747-S753 WeakPolarHBondContact OE1-CB 3.31Å; E747-S753 PolarHBondContact OE1-OG 3.13Å
748K49.6Very low67.3Low119 Ų11982.5 Ų82.552%0.51744%0.443SS..  trans-136.6131168.7-72.2174.3178.4145.20109.2E746E746-K748 VanDerWaalsContact CD-CE 3.46Å; E746-K748 WeakPolarHBondContact OE1-CE 3.43Å; E746-K748 IonicContact OE1-NZ 2.71Å; E746-K748 PolarHBondContact OE1-NZ 3.34Å; E746-K748 IonicContact OE2-NZ 2.81Å; E746-K748 PolarHBondContact OE2-NZ 3.18Å
749D42.2Very low67.9Low152 Ų15282.1 Ų82.181%0.81343%0.434SS*.THydrogen-bonded Turntrans50.169.8167.7-54.9-37.2000118.1Q751D749-Q751 PolarHBondContact O-N 3.5Å
750N42.7Very low68.3Low185 Ų18585.6 Ų85.699%0.98944%0.435SS*.THydrogen-bonded Turntrans56.35159-73.7-29.4000118.4
751Q47.3Very low68.5Low178 Ų17882 Ų8283%0.83241%0.413SS*.SBendtrans-96.8124.6177.4-166.6162.680.300109.8D749 S753D749-Q751 PolarHBondContact O-N 3.5Å; Q751-S753 PolarHBondContact O-N 3Å; Q751-S753 VanDerWaalsContact O-N 3.09Å
752K44.3Very low68.6Low187 Ų18780.4 Ų80.481%0.81341%0.407SS*.PPolyproline II helixtrans-50117.4-172.1-74.6-173.5175-176.50112.2
753S51.7Low68.7Low49 Ų4979.7 Ų79.734%0.34341%0.406SS..PPolyproline II helixtrans-57.8155.217839.60000112.3E747 Q751E747-S753 WeakPolarHBondContact OE1-CB 3.31Å; E747-S753 PolarHBondContact OE1-OG 3.13Å; Q751-S753 PolarHBondContact O-N 3Å; Q751-S753 VanDerWaalsContact O-N 3.09Å
754S53.6Low68.6Low29 Ų2977.9 Ų77.920%0.20340%0.399CS..PPolyproline II helixtrans-67.8144.1172.950.20000110.9I756S754-I756 PolarHBondContact O-N 3.13Å; S754-I756 PolarHBondContact OG-O 3.1Å
755N61.7Low68.7Low137 Ų13780.5 Ų80.573%0.73341%0.409SS*.SBendtrans-67.918.1178.9-67.6-6.8000114.6Q776N755-Q776 PolarHBondContact N-O 3.24Å
756I76.2Confident69.3Low11 Ų1182.6 Ų82.66%0.05641%0.408CS..  trans-138.5136.4-175.3-75.6-165000109.9S754 Y760 L761 V773 F775S754-I756 PolarHBondContact O-N 3.13Å; S754-I756 PolarHBondContact OG-O 3.1Å; I756-Y760 HydrophobicContact CD1-CD1 3.77Å; I756-Y760 HydrophobicContact CD1-CE1 3.74Å; I756-Y760 HydrophobicContact CG1-CD1 3.82Å; I756-Y760 HydrophobicContact CG1-CE1 4.05Å; I756-Y760 HydrophobicContact CG2-CD1 4.25Å; I756-L761 HydrophobicContact CD1-CD2 4.3Å; I756-L761 HydrophobicContact CG2-CD1 3.94Å; I756-L761 HydrophobicContact CG2-CD2 3.7Å; I756-L761 HydrophobicContact CG2-CG 3.5Å; I756-L761 VanDerWaalsContact CG2-CG 3.5Å; I756-V773 HydrophobicContact CD1-CG1 3.83Å; I756-F775 HydrophobicContact CD1-CB 3.38Å; I756-F775 HydrophobicContact CD1-CD1 4.31Å; I756-F775 HydrophobicContact CD1-CG 3.88Å; I756-F775 HydrophobicContact CG1-CB 3.97Å; I756-F775 HydrophobicContact CG1-CG 4.47Å
757D82.9Confident69.8Low61 Ų6182.6 Ų82.633%0.32642%0.417SS..  trans-112.7173.217286.3-40.3000112L759 Y760 L761D757-L759 VanDerWaalsContact C-N 3.29Å; D757-L759 PolarHBondContact O-N 2.65Å; D757-L759 PolarHBondContact OD1-N 3.27Å; D757-L759 VanDerWaalsContact OD2-CB 3.24Å; D757-L759 WeakPolarHBondContact OD2-CB 3.32Å; D757-L759 WeakPolarHBondContact OD2-CG 3.37Å; D757-L759 PolarHBondContact OD2-N 2.96Å; D757-Y760 PolarHBondContact O-N 3.08Å; D757-Y760 WeakPolarHBondContact OD1-CB 3.29Å; D757-Y760 PolarHBondContact OD1-N 3.42Å; D757-L761 PolarHBondContact O-N 3.2Å
758S85.4Confident71Confident7 Ų780.8 Ų80.85%0.04940%0.404CS..Hα-helixtrans-65.5-25.7178.5-66.60000114.2W732 Y744 E762W732-S758 PolarHBondContact N-OG 3.25Å; W732-S758 PolarHBondContact O-OG 3.49Å; Y744-S758 PolarHBondContact O-N 1.88Å; Y744-S758 PolarHBondContact O-OG 3.03Å; S758-E762 WeakPolarHBondContact O-CB 3.22Å; S758-E762 PolarHBondContact O-N 3.32Å; S758-E762 VanDerWaalsContact O-N 3.11Å
759L84Confident72.6Confident78 Ų7878.2 Ų78.241%0.40840%0.399SS..Hα-helixtrans-75.3-41179.2-61.6172.6000111.4D757 E762 S763D757-L759 VanDerWaalsContact C-N 3.29Å; D757-L759 PolarHBondContact O-N 2.65Å; D757-L759 PolarHBondContact OD1-N 3.27Å; D757-L759 VanDerWaalsContact OD2-CB 3.24Å; D757-L759 WeakPolarHBondContact OD2-CB 3.32Å; D757-L759 WeakPolarHBondContact OD2-CG 3.37Å; D757-L759 PolarHBondContact OD2-N 2.96Å; L759-E762 PolarHBondContact O-N 3Å; L759-S763 PolarHBondContact O-N 2.78Å
760Y84.9Confident74.5Confident114 Ų11480.2 Ų80.245%0.44740%0.396SS..Hα-helixtrans-62.3-46.1175-175.6-107.7000111.3I756 D757 E762 S763 L764I756-Y760 HydrophobicContact CD1-CD1 3.77Å; I756-Y760 HydrophobicContact CD1-CE1 3.74Å; I756-Y760 HydrophobicContact CG1-CD1 3.82Å; I756-Y760 HydrophobicContact CG1-CE1 4.05Å; I756-Y760 HydrophobicContact CG2-CD1 4.25Å; D757-Y760 PolarHBondContact O-N 3.08Å; D757-Y760 WeakPolarHBondContact OD1-CB 3.29Å; D757-Y760 PolarHBondContact OD1-N 3.42Å; Y760-E762 PolarHBondContact O-N 3.48Å; Y760-S763 PolarHBondContact O-N 3.42Å; Y760-S763 VanDerWaalsContact O-N 3.16Å; Y760-S763 PolarHBondContact O-OG 3.41Å; Y760-L764 HydrophobicContact CD1-CD1 3.99Å; Y760-L764 HydrophobicContact CE1-CD1 3.46Å; Y760-L764 VanDerWaalsContact CE1-CD1 3.46Å; Y760-L764 HydrophobicContact CE1-CG 4.34Å; Y760-L764 HydrophobicContact CE2-CD1 4.44Å; Y760-L764 PolarHBondContact O-N 3.48Å
761L87.3Confident76.3Confident0 Ų072.4 Ų72.40%036%0.359CS..Hα-helixtrans-60.4-44.4175-69.3-177.6000112.7W732 Y744 I756 D757 S763 L764 Y765 V773 L784 F786W732-L761 HydrophobicContact CB-CB 4.48Å; W732-L761 HydrophobicContact CB-CD1 3.96Å; W732-L761 HydrophobicContact CD2-CB 4.06Å; W732-L761 HydrophobicContact CD2-CD1 4.41Å; W732-L761 HydrophobicContact CG-CB 3.91Å; W732-L761 HydrophobicContact CG-CD1 4.17Å; Y744-L761 HydrophobicContact CD1-CD1 3.96Å; Y744-L761 HydrophobicContact CD2-CD1 3.49Å; Y744-L761 VanDerWaalsContact CD2-CD1 3.49Å; Y744-L761 HydrophobicContact CE1-CD1 4.26Å; Y744-L761 HydrophobicContact CE2-CD1 3.8Å; Y744-L761 HydrophobicContact CG-CD1 3.55Å; I756-L761 HydrophobicContact CD1-CD2 4.3Å; I756-L761 HydrophobicContact CG2-CD1 3.94Å; I756-L761 HydrophobicContact CG2-CD2 3.7Å; I756-L761 HydrophobicContact CG2-CG 3.5Å; I756-L761 VanDerWaalsContact CG2-CG 3.5Å; D757-L761 PolarHBondContact O-N 3.2Å; L761-S763 VanDerWaalsContact C-N 3.3Å; L761-S763 PolarHBondContact O-N 2.85Å; L761-L764 PolarHBondContact O-N 3.16Å; L761-Y765 WeakPolarHBondContact O-CB 3.43Å; L761-Y765 PolarHBondContact O-N 3.19Å; L761-V773 HydrophobicContact CD2-CG1 4.29Å; L761-L784 HydrophobicContact CD1-CD2 3.81Å; L761-L784 HydrophobicContact CD2-CD2 3.82Å; L761-L784 HydrophobicContact CG-CD2 4.44Å; L761-F786 HydrophobicContact CB-CE1 4.47Å; L761-F786 HydrophobicContact CD2-CE1 4.25Å; L761-F786 HydrophobicContact CD2-CZ 4.21Å; L761-F786 WeakPolarHBondContact O-CZ 3.38Å
762E89.7Confident78.2Confident1 Ų167.7 Ų67.71%0.00534%0.342CS..Hα-helixtrans-62-37.3175.3178.261.4-169.300111.9S717 V719 W730 W732 S758 L759 Y760 Y765 Q766 R804S717-E762 WeakPolarHBondContact CB-OE1 3.14Å; S717-E762 PolarHBondContact OG-OE1 3.21Å; V719-E762 HydrophobicContact CG2-CB 4.15Å; V719-E762 HydrophobicContact CG2-CG 3.66Å; W730-E762 HydrophobicContact CB-CG 4.12Å; W730-E762 WeakPolarHBondContact CB-OE2 3.46Å; W730-E762 VanDerWaalsContact CD1-OE1 3.26Å; W732-E762 PolarHBondContact NE1-OE2 2.94Å; S758-E762 WeakPolarHBondContact O-CB 3.22Å; S758-E762 PolarHBondContact O-N 3.32Å; S758-E762 VanDerWaalsContact O-N 3.11Å; L759-E762 PolarHBondContact O-N 3Å; Y760-E762 PolarHBondContact O-N 3.48Å; E762-Y765 PolarHBondContact O-N 3.27Å; E762-Q766 HydrophobicContact CG-CG 4.5Å; E762-Q766 VanDerWaalsContact O-CG 3.26Å; E762-Q766 WeakPolarHBondContact O-CG 3.28Å; E762-Q766 PolarHBondContact O-N 2.91Å; E762-Q766 PolarHBondContact OE1-NE2 2.95Å; E762-R804 VanDerWaalsContact CD-NH2 3.25Å; E762-R804 IonicContact OE1-CZ 3.25Å; E762-R804 IonicContact OE1-NH2 2.69Å; E762-R804 PolarHBondContact OE1-NH2 3.2Å; E762-R804 IonicContact OE2-CZ 2.66Å; E762-R804 VanDerWaalsContact OE2-CZ 3.3Å; E762-R804 IonicContact OE2-NE 3.65Å; E762-R804 PolarHBondContact OE2-NE 3.28Å; E762-R804 IonicContact OE2-NH2 3.64Å; E762-R804 PolarHBondContact OE2-NH2 2.83Å
763S85.9Confident80.2Confident34 Ų3459.4 Ų59.424%0.23831%0.307CS..Hα-helixtrans-66.2-39.9177.3790000113.1L759 Y760 L761 S767L759-S763 PolarHBondContact O-N 2.78Å; Y760-S763 PolarHBondContact O-N 3.42Å; Y760-S763 VanDerWaalsContact O-N 3.16Å; Y760-S763 PolarHBondContact O-OG 3.41Å; L761-S763 VanDerWaalsContact C-N 3.3Å; L761-S763 PolarHBondContact O-N 2.85Å; S763-S767 PolarHBondContact O-N 3.16Å; S763-S767 PolarHBondContact O-OG 2.94Å
764L85.8Confident82Confident29 Ų2963.2 Ų63.215%0.15232%0.32CS..Hα-helixtrans-71.8-36.1175.6-67.6-179.2000111.7Y760 L761 S767 Y768 V773 F786Y760-L764 HydrophobicContact CD1-CD1 3.99Å; Y760-L764 HydrophobicContact CE1-CD1 3.46Å; Y760-L764 VanDerWaalsContact CE1-CD1 3.46Å; Y760-L764 HydrophobicContact CE1-CG 4.34Å; Y760-L764 HydrophobicContact CE2-CD1 4.44Å; Y760-L764 PolarHBondContact O-N 3.48Å; L761-L764 PolarHBondContact O-N 3.16Å; L764-S767 PolarHBondContact O-N 3.45Å; L764-Y768 WeakPolarHBondContact O-CA 3.43Å; L764-Y768 PolarHBondContact O-N 2.89Å; L764-V773 HydrophobicContact CB-CG2 4.27Å; L764-V773 HydrophobicContact CD1-CB 4.38Å; L764-V773 HydrophobicContact CD1-CG1 3.74Å; L764-V773 HydrophobicContact CD1-CG2 3.66Å; L764-F786 HydrophobicContact CB-CE2 3.8Å; L764-F786 HydrophobicContact CB-CZ 3.92Å
765Y87.1Confident83.5Confident57 Ų5762.7 Ų62.722%0.22431%0.314CS..Hα-helixtrans-67.3-40.2176.3179.5-101.2000112.8W732 L761 E762 S767 Y768 P769 F786 M789W732-Y765 AromaticContact CH2-CD2 3.63Å; W732-Y765 HydrophobicContact CH2-CD2 3.63Å; W732-Y765 HydrophobicContact CH2-CE2 4.22Å; W732-Y765 AromaticContact CH2-CG 3.87Å; W732-Y765 HydrophobicContact CH2-CG 3.87Å; W732-Y765 HydrophobicContact CZ2-CD1 4.06Å; W732-Y765 AromaticContact CZ2-CD2 3.81Å; W732-Y765 HydrophobicContact CZ2-CD2 3.81Å; W732-Y765 AromaticContact CZ2-CG 3.51Å; W732-Y765 HydrophobicContact CZ2-CG 3.51Å; L761-Y765 WeakPolarHBondContact O-CB 3.43Å; L761-Y765 PolarHBondContact O-N 3.19Å; E762-Y765 PolarHBondContact O-N 3.27Å; Y765-S767 VanDerWaalsContact C-N 3.27Å; Y765-S767 PolarHBondContact O-N 2.87Å; Y765-Y768 CarbonylContact O-C 3.57Å; Y765-P769 HydrophobicContact CD2-CB 4.22Å; Y765-P769 HydrophobicContact CE2-CB 3.92Å; Y765-P769 VanDerWaalsContact O-CA 3.26Å; Y765-P769 WeakPolarHBondContact O-CA 3.33Å; Y765-P769 WeakPolarHBondContact O-CB 3.27Å; Y765-P769 WeakPolarHBondContact O-CD 3.39Å; Y765-P769 VanDerWaalsContact O-N 3.11Å; Y765-F786 HydrophobicContact CD2-CB 3.89Å; Y765-F786 HydrophobicContact CD2-CD1 4.07Å; Y765-F786 HydrophobicContact CD2-CD2 4.27Å; Y765-F786 AromaticContact CD2-CG 3.86Å; Y765-F786 HydrophobicContact CD2-CG 3.86Å; Y765-F786 HydrophobicContact CE2-CB 4.31Å; Y765-M789 HydrophobicContact CE2-CE 4.04Å
766Q85.4Confident84.4Confident81 Ų8160.5 Ų60.538%0.37930%0.299SS..Hα-helixtrans-65.7-31.8174.6-68.7-66.8-26.700112E762E762-Q766 HydrophobicContact CG-CG 4.5Å; E762-Q766 VanDerWaalsContact O-CG 3.26Å; E762-Q766 WeakPolarHBondContact O-CG 3.28Å; E762-Q766 PolarHBondContact O-N 2.91Å; E762-Q766 PolarHBondContact OE1-NE2 2.95Å
767S80.8Confident84.3Confident74 Ų7461.3 Ų61.352%0.51731%0.307SS..Hα-helixtrans-80.5-40.9177.8-550000112.7S763 L764 Y765S763-S767 PolarHBondContact O-N 3.16Å; S763-S767 PolarHBondContact O-OG 2.94Å; L764-S767 PolarHBondContact O-N 3.45Å; Y765-S767 VanDerWaalsContact C-N 3.27Å; Y765-S767 PolarHBondContact O-N 2.87Å
768Y82.9Confident83.9Confident114 Ų11460.5 Ų60.545%0.44731%0.313SS..  trans-142.975.4-171.7-52.2-74.1000110.2F9 L764 Y765 R770 G771 F786F9-Y768 WeakPolarHBondContact CE2-OH 3.35Å; L764-Y768 WeakPolarHBondContact O-CA 3.43Å; L764-Y768 PolarHBondContact O-N 2.89Å; Y765-Y768 CarbonylContact O-C 3.57Å; Y768-R770 PolarHBondContact O-N 3.07Å; Y768-R770 VanDerWaalsContact O-N 3.07Å; Y768-G771 WeakPolarHBondContact O-CA 3.21Å; Y768-G771 PolarHBondContact O-N 3.28Å; Y768-F786 WeakPolarHBondContact O-CD2 3.44Å
769P82.5Confident83.2Confident64 Ų6465.6 Ų65.642%0.41635%0.349SS..THydrogen-bonded Turntrans-66.9-13.9-174.525-34.5000114.2Y765 F786Y765-P769 HydrophobicContact CD2-CB 4.22Å; Y765-P769 HydrophobicContact CE2-CB 3.92Å; Y765-P769 VanDerWaalsContact O-CA 3.26Å; Y765-P769 WeakPolarHBondContact O-CA 3.33Å; Y765-P769 WeakPolarHBondContact O-CB 3.27Å; Y765-P769 WeakPolarHBondContact O-CD 3.39Å; Y765-P769 VanDerWaalsContact O-N 3.11Å; P769-F786 WeakPolarHBondContact O-CB 3.4Å
770R81.6Confident82.9Confident195 Ų19568.7 Ų68.774%0.73636%0.355SS*.THydrogen-bonded Turntrans-103.76.8170.3-68.5-167.8-86.9-93.91.4113.9Y768 Q787Y768-R770 PolarHBondContact O-N 3.07Å; Y768-R770 VanDerWaalsContact O-N 3.07Å; R770-Q787 HydrophobicContact CB-CB 4.47Å; R770-Q787 VanDerWaalsContact CD-OE1 3.3Å; R770-Q787 HydrophobicContact CG-CB 4.38Å; R770-Q787 VanDerWaalsContact CG-OE1 3.32Å
771G80.8Confident82.9Confident21 Ų2167.3 Ų67.322%0.21636%0.355CS..  trans-71.5168.4-177.800000113.8Y768 F786Y768-G771 WeakPolarHBondContact O-CA 3.21Å; Y768-G771 PolarHBondContact O-N 3.28Å; G771-F786 PolarHBondContact O-N 3.01Å
772V87.6Confident83Confident79 Ų7968.5 Ų68.548%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-127.1122.6177.3-179.50000108.7E783 L784V772-E783 HydrophobicContact CG1-CG 3.26Å; V772-L784 CarbonylContact C-O 3.58Å; V772-L784 VanDerWaalsContact CA-O 3.31Å; V772-L784 WeakPolarHBondContact CA-O 3.4Å
773V87.3Confident83Confident13 Ų1371.4 Ų71.48%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-105.3121.5-173.9-175.80000110.2I756 L761 L764 E783 L784 F786I756-V773 HydrophobicContact CD1-CG1 3.83Å; L761-V773 HydrophobicContact CD2-CG1 4.29Å; L764-V773 HydrophobicContact CB-CG2 4.27Å; L764-V773 HydrophobicContact CD1-CB 4.38Å; L764-V773 HydrophobicContact CD1-CG1 3.74Å; L764-V773 HydrophobicContact CD1-CG2 3.66Å; V773-E783 CarbonylContact O-C 3.59Å; V773-E783 WeakPolarHBondContact O-CA 3.48Å; V773-L784 HydrophobicContact CB-CB 4.5Å; V773-L784 PolarHBondContact N-O 2.94Å; V773-L784 PolarHBondContact O-N 3.41Å; V773-F786 HydrophobicContact CG2-CD2 4.25Å; V773-F786 HydrophobicContact CG2-CE1 4.32Å; V773-F786 HydrophobicContact CG2-CE2 3.41Å; V773-F786 VanDerWaalsContact CG2-CE2 3.41Å; V773-F786 HydrophobicContact CG2-CZ 3.46Å; V773-F786 VanDerWaalsContact CG2-CZ 3.46Å
774Q87.9Confident83.2Confident129 Ų12969.8 Ų69.860%0.60336%0.362SS*.EExtended strand (participates in β ladder)trans-96.3134.5176.9-56.4-173.431.500110.1Y782 E783Q774-Y782 WeakPolarHBondContact CA-O 3.4Å; Q774-E783 HydrophobicContact CG-CG 4.28Å
775F85.6Confident83.5Confident18 Ų1870 Ų708%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-153164.2-176.973.1-83.7000113.3Y744 I756 A777 Y782 L784 Q791Y744-F775 HydrophobicContact CE1-CE2 4.4Å; Y744-F775 AromaticContact CE1-CZ 3.9Å; Y744-F775 HydrophobicContact CE1-CZ 3.9Å; I756-F775 HydrophobicContact CD1-CB 3.38Å; I756-F775 HydrophobicContact CD1-CD1 4.31Å; I756-F775 HydrophobicContact CD1-CG 3.88Å; I756-F775 HydrophobicContact CG1-CB 3.97Å; I756-F775 HydrophobicContact CG1-CG 4.47Å; F775-A777 HydrophobicContact CE2-CB 4.36Å; F775-Y782 HydrophobicContact CE2-CD2 4.3Å; F775-Y782 HydrophobicContact CE2-CG 4.39Å; F775-Y782 HydrophobicContact CZ-CG 4.18Å; F775-Y782 PolarHBondContact N-O 2.93Å; F775-Y782 PolarHBondContact O-N 3.28Å; F775-L784 HydrophobicContact CE1-CB 4.18Å; F775-Q791 HydrophobicContact CE1-CG 4.37Å; F775-Q791 HydrophobicContact CZ-CG 4.2Å
776Q80.1Confident83.5Confident91 Ų9167.5 Ų67.543%0.42536%0.357SS..EExtended strand (participates in β ladder)trans-114.2137.4177.5-173.8174.8-13.700110.6N755 G778 N781N755-Q776 PolarHBondContact N-O 3.24Å; Q776-G778 WeakPolarHBondContact CG-O 3.46Å; Q776-G778 PolarHBondContact NE2-O 2.88Å; Q776-N781 WeakPolarHBondContact CG-OD1 3.18Å
777A75.7Confident83.5Confident27 Ų2769.5 Ų69.522%0.22337%0.366CS..EExtended strand (participates in β ladder)trans-132.7117.8170.800000108.7F775 S779 R780 Y782F775-A777 HydrophobicContact CE2-CB 4.36Å; A777-S779 PolarHBondContact O-N 3.42Å; A777-R780 PolarHBondContact N-O 3.41Å; A777-R780 PolarHBondContact O-N 3.5Å; A777-Y782 HydrophobicContact CB-CD2 4.08Å; A777-Y782 HydrophobicContact CB-CE2 3.94Å
778G73.9Confident83.6Confident44 Ų4467.8 Ų67.845%0.45436%0.36SS..THydrogen-bonded Turntrans55.7-126.6-167.400000111.9Q776Q776-G778 WeakPolarHBondContact CG-O 3.46Å; Q776-G778 PolarHBondContact NE2-O 2.88Å
779S69.6Low83.9Confident114 Ų11464.9 Ų64.980%0.79735%0.351SS*.THydrogen-bonded Turntrans-91.37.7176.655.30000114.4A777A777-S779 PolarHBondContact O-N 3.42Å
780R78.9Confident84.2Confident143 Ų14364.1 Ų64.154%0.5434%0.343SS..EExtended strand (participates in β ladder)trans-116.6134.7-171.2-68.9177.7179.2-179.3-1111.8A777 Y782A777-R780 PolarHBondContact N-O 3.41Å; A777-R780 PolarHBondContact O-N 3.5Å; R780-Y782 HydrophobicContact CB-CD2 4.32Å; R780-Y782 HydrophobicContact CB-CE2 3.52Å; R780-Y782 WeakPolarHBondContact O-CD2 3.37Å
781N85.3Confident84.7Confident85 Ų8555.2 Ų55.246%0.45531%0.31SS..EExtended strand (participates in β ladder)trans-94.3136.1175.8-66.7-15.4000110.8Q776 K794Q776-N781 WeakPolarHBondContact CG-OD1 3.18Å; N781-K794 HydrophobicContact CB-CB 4.33Å; N781-K794 HydrophobicContact CB-CG 4.45Å; N781-K794 PolarHBondContact O-N 2.91Å
782Y87.9Confident85.1Confident26 Ų2655.5 Ų55.510%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-129.9161.5-175.5-67.6-86.1000111.2Q774 F775 A777 R780 Q791 T792 N793Q774-Y782 WeakPolarHBondContact CA-O 3.4Å; F775-Y782 HydrophobicContact CE2-CD2 4.3Å; F775-Y782 HydrophobicContact CE2-CG 4.39Å; F775-Y782 HydrophobicContact CZ-CG 4.18Å; F775-Y782 PolarHBondContact N-O 2.93Å; F775-Y782 PolarHBondContact O-N 3.28Å; A777-Y782 HydrophobicContact CB-CD2 4.08Å; A777-Y782 HydrophobicContact CB-CE2 3.94Å; R780-Y782 HydrophobicContact CB-CD2 4.32Å; R780-Y782 HydrophobicContact CB-CE2 3.52Å; R780-Y782 WeakPolarHBondContact O-CD2 3.37Å; Y782-Q791 HydrophobicContact CD1-CG 3.85Å; Y782-Q791 HydrophobicContact CG-CG 4.36Å; Y782-T792 CarbonylContact C-O 3.59Å; Y782-T792 VanDerWaalsContact CA-O 3.29Å; Y782-T792 WeakPolarHBondContact CA-O 3.5Å; Y782-N793 HydrophobicContact CD1-CB 3.87Å; Y782-N793 HydrophobicContact CE1-CB 3.7Å; Y782-N793 WeakPolarHBondContact CE1-ND2 3.4Å; Y782-N793 VanDerWaalsContact CZ-ND2 3.26Å; Y782-N793 PolarHBondContact OH-ND2 3.35Å
783E90.1Very high85.1Confident61 Ų6151.8 Ų51.829%0.28529%0.285SS..EExtended strand (participates in β ladder)trans-141.8115.1-177.4-173.7168.4101.900109.2V772 V773 Q774 Q791 T792 K794V772-E783 HydrophobicContact CG1-CG 3.26Å; V773-E783 CarbonylContact O-C 3.59Å; V773-E783 WeakPolarHBondContact O-CA 3.48Å; Q774-E783 HydrophobicContact CG-CG 4.28Å; E783-Q791 CarbonylContact O-C 3.52Å; E783-Q791 WeakPolarHBondContact O-CA 3.44Å; E783-T792 PolarHBondContact N-O 2.87Å; E783-T792 PolarHBondContact O-N 3.05Å; E783-K794 HydrophobicContact CB-CG 4.45Å; E783-K794 WeakPolarHBondContact OE2-CE 3.31Å; E783-K794 IonicContact OE2-NZ 3.04Å; E783-K794 PolarHBondContact OE2-NZ 2.99Å
784L91.3Very high85Confident0 Ų054.6 Ų54.60%030%0.296CS..EExtended strand (participates in β ladder)trans-102.5114.4-178.8170.152.5000110.1Y744 L761 V772 V773 F775 F786 I790 V802Y744-L784 HydrophobicContact CE2-CD2 4.5Å; L761-L784 HydrophobicContact CD1-CD2 3.81Å; L761-L784 HydrophobicContact CD2-CD2 3.82Å; L761-L784 HydrophobicContact CG-CD2 4.44Å; V772-L784 CarbonylContact C-O 3.58Å; V772-L784 VanDerWaalsContact CA-O 3.31Å; V772-L784 WeakPolarHBondContact CA-O 3.4Å; V773-L784 HydrophobicContact CB-CB 4.5Å; V773-L784 PolarHBondContact N-O 2.94Å; V773-L784 PolarHBondContact O-N 3.41Å; F775-L784 HydrophobicContact CE1-CB 4.18Å; L784-F786 HydrophobicContact CD2-CD1 4.44Å; L784-F786 HydrophobicContact CD2-CE1 4.05Å; L784-F786 HydrophobicContact CG-CD1 4.32Å; L784-F786 HydrophobicContact CG-CE1 4.33Å; L784-I790 WeakPolarHBondContact CA-O 3.29Å; L784-I790 WeakPolarHBondContact CD1-O 3.46Å; L784-V802 HydrophobicContact CD1-CB 4.04Å; L784-V802 HydrophobicContact CD1-CG1 4.01Å; L784-V802 HydrophobicContact CD1-CG2 3.78Å
785S90.2Very high84.7Confident34 Ų3452.9 Ų52.924%0.23830%0.304CS..EExtended strand (participates in β ladder)trans-86.3119.2169.2176.90000110.3G788 M789 I790S785-G788 PolarHBondContact OG-N 2.91Å; S785-G788 VanDerWaalsContact OG-N 3.11Å; S785-M789 WeakPolarHBondContact O-CA 3.42Å; S785-M789 PolarHBondContact O-N 3.26Å; S785-I790 PolarHBondContact N-O 3.37Å; S785-I790 PolarHBondContact O-N 3.21Å
786F88.4Confident84.4Confident5 Ų555.1 Ų55.12%0.02232%0.322CS..THydrogen-bonded Turntrans-71.3-35.1174.6-68.5-44.5000112.6W732 L761 L764 Y765 Y768 P769 G771 V773 L784 M789W732-F786 HydrophobicContact CE3-CE1 4.47Å; W732-F786 AromaticContact CH2-CD1 3.37Å; W732-F786 HydrophobicContact CH2-CD1 3.37Å; W732-F786 AromaticContact CH2-CE1 3.57Å; W732-F786 HydrophobicContact CH2-CE1 3.57Å; W732-F786 HydrophobicContact CH2-CG 4.37Å; W732-F786 HydrophobicContact CZ2-CD1 4.21Å; W732-F786 HydrophobicContact CZ2-CE1 4.01Å; W732-F786 AromaticContact CZ3-CD1 3.66Å; W732-F786 HydrophobicContact CZ3-CD1 3.66Å; W732-F786 AromaticContact CZ3-CE1 3.83Å; W732-F786 HydrophobicContact CZ3-CE1 3.83Å; L761-F786 HydrophobicContact CB-CE1 4.47Å; L761-F786 HydrophobicContact CD2-CE1 4.25Å; L761-F786 HydrophobicContact CD2-CZ 4.21Å; L761-F786 WeakPolarHBondContact O-CZ 3.38Å; L764-F786 HydrophobicContact CB-CE2 3.8Å; L764-F786 HydrophobicContact CB-CZ 3.92Å; Y765-F786 HydrophobicContact CD2-CB 3.89Å; Y765-F786 HydrophobicContact CD2-CD1 4.07Å; Y765-F786 HydrophobicContact CD2-CD2 4.27Å; Y765-F786 AromaticContact CD2-CG 3.86Å; Y765-F786 HydrophobicContact CD2-CG 3.86Å; Y765-F786 HydrophobicContact CE2-CB 4.31Å; Y768-F786 WeakPolarHBondContact O-CD2 3.44Å; P769-F786 WeakPolarHBondContact O-CB 3.4Å; G771-F786 PolarHBondContact O-N 3.01Å; V773-F786 HydrophobicContact CG2-CD2 4.25Å; V773-F786 HydrophobicContact CG2-CE1 4.32Å; V773-F786 HydrophobicContact CG2-CE2 3.41Å; V773-F786 VanDerWaalsContact CG2-CE2 3.41Å; V773-F786 HydrophobicContact CG2-CZ 3.46Å; V773-F786 VanDerWaalsContact CG2-CZ 3.46Å; L784-F786 HydrophobicContact CD2-CD1 4.44Å; L784-F786 HydrophobicContact CD2-CE1 4.05Å; L784-F786 HydrophobicContact CG-CD1 4.32Å; L784-F786 HydrophobicContact CG-CE1 4.33Å; F786-M789 PolarHBondContact O-N 3.25Å
787Q85.8Confident84.6Confident122 Ų12257.9 Ų57.957%0.5733%0.333SS*.THydrogen-bonded Turntrans-69.1-34.3176.71795987.900112.1R770R770-Q787 HydrophobicContact CB-CB 4.47Å; R770-Q787 VanDerWaalsContact CD-OE1 3.3Å; R770-Q787 HydrophobicContact CG-CB 4.38Å; R770-Q787 VanDerWaalsContact CG-OE1 3.32Å
788G81.4Confident85.1Confident39 Ų3960 Ų6040%0.40234%0.343SS..THydrogen-bonded Turntrans-86.4-18.3176.200000114.3S785 I790S785-G788 PolarHBondContact OG-N 2.91Å; S785-G788 VanDerWaalsContact OG-N 3.11Å; G788-I790 VanDerWaalsContact C-N 3.25Å; G788-I790 WeakPolarHBondContact O-CG1 3.45Å; G788-I790 PolarHBondContact O-N 3.49Å
789M89.8Confident85.8Confident53 Ų5364.2 Ų64.226%0.26135%0.35SS..THydrogen-bonded Turntrans51.344.7-167.1-69.5-71.6174.800112.1W732 Y765 S785 F786 V802 R804W732-M789 HydrophobicContact CH2-CE 3.88Å; W732-M789 HydrophobicContact CH2-SD 4.12Å; W732-M789 HydrophobicContact CZ3-CE 4.07Å; W732-M789 HydrophobicContact CZ3-SD 3.67Å; Y765-M789 HydrophobicContact CE2-CE 4.04Å; S785-M789 WeakPolarHBondContact O-CA 3.42Å; S785-M789 PolarHBondContact O-N 3.26Å; F786-M789 PolarHBondContact O-N 3.25Å; M789-V802 WeakPolarHBondContact O-CA 2.71Å; M789-V802 WeakPolarHBondContact O-CB 3.44Å; M789-V802 PolarHBondContact O-N 3.28Å; M789-R804 HydrophobicContact CE-CB 4.42Å
790I90.1Very high86.8Confident47 Ų4760.2 Ų60.224%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-134.9132.1-174.4-71.6159.9000110.8L784 S785 G788 Q799 K800L784-I790 WeakPolarHBondContact CA-O 3.29Å; L784-I790 WeakPolarHBondContact CD1-O 3.46Å; S785-I790 PolarHBondContact N-O 3.37Å; S785-I790 PolarHBondContact O-N 3.21Å; G788-I790 VanDerWaalsContact C-N 3.25Å; G788-I790 WeakPolarHBondContact O-CG1 3.45Å; G788-I790 PolarHBondContact O-N 3.49Å; I790-Q799 HydrophobicContact CG2-CB 3.77Å; I790-Q799 HydrophobicContact CG2-CG 3.85Å; I790-K800 WeakPolarHBondContact CA-O 3.46Å
791Q90.2Very high87.2Confident8 Ų856.7 Ų56.74%0.03731%0.311CS..EExtended strand (participates in β ladder)trans-94.9118.7167.4173.2-179.4-30.500110.3Y744 F775 Y782 E783 Q799 K800 V802Y744-Q791 PolarHBondContact OH-OE1 3.37Å; F775-Q791 HydrophobicContact CE1-CG 4.37Å; F775-Q791 HydrophobicContact CZ-CG 4.2Å; Y782-Q791 HydrophobicContact CD1-CG 3.85Å; Y782-Q791 HydrophobicContact CG-CG 4.36Å; E783-Q791 CarbonylContact O-C 3.52Å; E783-Q791 WeakPolarHBondContact O-CA 3.44Å; Q791-Q799 CarbonylContact O-C 3.44Å; Q791-Q799 WeakPolarHBondContact O-CA 3.21Å; Q791-K800 PolarHBondContact N-O 2.85Å; Q791-K800 PolarHBondContact O-N 3.25Å; Q791-V802 HydrophobicContact CB-CG2 3.91Å
792T89.8Confident87.5Confident27 Ų2753 Ų5317%0.16629%0.292CS..EExtended strand (participates in β ladder)trans-102.8134.7174.9-52.90000110.4Y782 E783 Q799Y782-T792 CarbonylContact C-O 3.59Å; Y782-T792 VanDerWaalsContact CA-O 3.29Å; Y782-T792 WeakPolarHBondContact CA-O 3.5Å; E783-T792 PolarHBondContact N-O 2.87Å; E783-T792 PolarHBondContact O-N 3.05Å; T792-Q799 HydrophobicContact CG2-CG 4.15Å
793N87.8Confident87.6Confident2 Ų253 Ų531%0.01129%0.293CS..EExtended strand (participates in β ladder)trans-80.7130.2167.5-174.3-72000110.4Y782 A795 S796 K797 T798Y782-N793 HydrophobicContact CD1-CB 3.87Å; Y782-N793 HydrophobicContact CE1-CB 3.7Å; Y782-N793 WeakPolarHBondContact CE1-ND2 3.4Å; Y782-N793 VanDerWaalsContact CZ-ND2 3.26Å; Y782-N793 PolarHBondContact OH-ND2 3.35Å; N793-A795 PolarHBondContact O-N 3.47Å; N793-A795 WeakPolarHBondContact OD1-CA 3.43Å; N793-A795 PolarHBondContact OD1-N 3.43Å; N793-S796 VanDerWaalsContact CB-OG 3.26Å; N793-S796 WeakPolarHBondContact CB-OG 3.14Å; N793-S796 PolarHBondContact OD1-N 3.3Å; N793-S796 PolarHBondContact OD1-OG 3.09Å; N793-K797 WeakPolarHBondContact O-CA 3.46Å; N793-K797 PolarHBondContact O-N 3.05Å; N793-T798 WeakPolarHBondContact CB-OG1 3.46Å; N793-T798 PolarHBondContact N-O 2.77Å
794K84.9Confident87.7Confident72 Ų7251.6 Ų51.631%0.31329%0.285SS..THydrogen-bonded Turntrans-68.4-32.5-176.1-68.4-155.1170.3-1460114.2N781 E783 K797N781-K794 HydrophobicContact CB-CB 4.33Å; N781-K794 HydrophobicContact CB-CG 4.45Å; N781-K794 PolarHBondContact O-N 2.91Å; E783-K794 HydrophobicContact CB-CG 4.45Å; E783-K794 WeakPolarHBondContact OE2-CE 3.31Å; E783-K794 IonicContact OE2-NZ 3.04Å; E783-K794 PolarHBondContact OE2-NZ 2.99Å; K794-K797 PolarHBondContact O-NZ 3.11Å
795A81.5Confident87.8Confident93 Ų9352.1 Ų52.177%0.76929%0.287SS*.THydrogen-bonded Turntrans-88.5-46-175.600000112.7N793N793-A795 PolarHBondContact O-N 3.47Å; N793-A795 WeakPolarHBondContact OD1-CA 3.43Å; N793-A795 PolarHBondContact OD1-N 3.43Å
796S80.4Confident87.9Confident64 Ų6450.5 Ų50.545%0.44828%0.276SS..THydrogen-bonded Turntrans-93-6.5-179.457.80000114.4N793 T798N793-S796 VanDerWaalsContact CB-OG 3.26Å; N793-S796 WeakPolarHBondContact CB-OG 3.14Å; N793-S796 PolarHBondContact OD1-N 3.3Å; N793-S796 PolarHBondContact OD1-OG 3.09Å; S796-T798 PolarHBondContact O-N 3.01Å; S796-T798 PolarHBondContact OG-OG1 3.05Å
797K84.3Confident87.9Confident150 Ų15056.2 Ų56.265%0.65230%0.3SS*.  trans56.4-0.1-173.9-57.1-57-172.3-173.40116.2N793 K794 Q799N793-K797 WeakPolarHBondContact O-CA 3.46Å; N793-K797 PolarHBondContact O-N 3.05Å; K794-K797 PolarHBondContact O-NZ 3.11Å; K797-Q799 PolarHBondContact O-N 2.79Å
798T85.9Confident88.1Confident71 Ų7152.7 Ų52.744%0.43628%0.283SS..  trans-57.8127.6175.253.50000111.2N793 S796N793-T798 WeakPolarHBondContact CB-OG1 3.46Å; N793-T798 PolarHBondContact N-O 2.77Å; S796-T798 PolarHBondContact O-N 3.01Å; S796-T798 PolarHBondContact OG-OG1 3.05Å
799Q89.3Confident88.3Confident132 Ų13252.2 Ų52.262%0.61727%0.272SS*.EExtended strand (participates in β ladder)trans-96.9153.5175.3-70.1-177.7-2000111.3I790 Q791 T792 K797I790-Q799 HydrophobicContact CG2-CB 3.77Å; I790-Q799 HydrophobicContact CG2-CG 3.85Å; Q791-Q799 CarbonylContact O-C 3.44Å; Q791-Q799 WeakPolarHBondContact O-CA 3.21Å; T792-Q799 HydrophobicContact CG2-CG 4.15Å; K797-Q799 PolarHBondContact O-N 2.79Å
800K88.6Confident88.2Confident30 Ų3050.9 Ų50.913%0.1327%0.268CS..EExtended strand (participates in β ladder)trans-142.5138.6176.3-64.4-170.9175.4-166.20110.1W734 K735 E737 I790 Q791W734-K800 HydrophobicContact CE3-CD 4Å; W734-K800 HydrophobicContact CZ3-CD 4.07Å; K735-K800 WeakPolarHBondContact O-CD 3.42Å; E737-K800 WeakPolarHBondContact OE1-CE 3.16Å; E737-K800 IonicContact OE1-NZ 2.64Å; E737-K800 PolarHBondContact OE1-NZ 3.48Å; I790-K800 WeakPolarHBondContact CA-O 3.46Å; Q791-K800 PolarHBondContact N-O 2.85Å; Q791-K800 PolarHBondContact O-N 3.25Å
801D88.3Confident87.9Confident70 Ų7052.5 Ų52.537%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-62.1144.4176.9-56-36.1000111W734 K735 W741W734-D801 CarbonylContact C-O 3.53Å; W734-D801 WeakPolarHBondContact CA-O 3.46Å; K735-D801 HydrophobicContact CB-CB 3.96Å; K735-D801 HydrophobicContact CD-CB 4.12Å; K735-D801 VanDerWaalsContact CD-OD2 3.23Å; K735-D801 WeakPolarHBondContact CD-OD2 3.34Å; K735-D801 PolarHBondContact N-O 3.05Å; K735-D801 IonicContact NZ-OD2 3.33Å; K735-D801 PolarHBondContact NZ-OD2 3.33Å; W741-D801 HydrophobicContact CH2-CB 3.67Å; W741-D801 HydrophobicContact CZ3-CB 4.17Å
802V91.4Very high87.4Confident8 Ų858.5 Ų58.55%0.04830%0.297CS..EExtended strand (participates in β ladder)trans-126.1148.3171.3170.80000109.1W732 Y733 W734 Y744 L784 M789 Q791W732-V802 HydrophobicContact CE3-CG1 3.74Å; W732-V802 HydrophobicContact CZ3-CG1 4.04Å; Y733-V802 CarbonylContact O-C 3.53Å; Y733-V802 VanDerWaalsContact O-CA 3.28Å; Y733-V802 WeakPolarHBondContact O-CA 3.46Å; Y733-V802 WeakPolarHBondContact O-CG1 3.46Å; W734-V802 HydrophobicContact CB-CG2 4Å; Y744-V802 HydrophobicContact CE2-CG1 4.11Å; Y744-V802 HydrophobicContact CE2-CG2 4.29Å; Y744-V802 VanDerWaalsContact OH-CG2 3.27Å; Y744-V802 WeakPolarHBondContact OH-CG2 3.37Å; L784-V802 HydrophobicContact CD1-CB 4.04Å; L784-V802 HydrophobicContact CD1-CG1 4.01Å; L784-V802 HydrophobicContact CD1-CG2 3.78Å; M789-V802 WeakPolarHBondContact O-CA 2.71Å; M789-V802 WeakPolarHBondContact O-CB 3.44Å; M789-V802 PolarHBondContact O-N 3.28Å; Q791-V802 HydrophobicContact CB-CG2 3.91Å
803I91.3Very high87.1Confident24 Ų2460.4 Ų60.412%0.12331%0.306CS..EExtended strand (participates in β ladder)trans-144.4143.8177.5-159.6167.6000111.3P686 Y733 W741P686-I803 HydrophobicContact CB-CG2 3.52Å; Y733-I803 HydrophobicContact CD2-CG2 4.32Å; Y733-I803 PolarHBondContact N-O 3.25Å; Y733-I803 PolarHBondContact O-N 3.11Å; W741-I803 HydrophobicContact CD2-CG2 3.95Å; W741-I803 HydrophobicContact CE3-CG2 3.63Å; W741-I803 HydrophobicContact CH2-CB 3.75Å; W741-I803 HydrophobicContact CH2-CG2 3.68Å; W741-I803 HydrophobicContact CZ2-CB 4.29Å; W741-I803 HydrophobicContact CZ2-CD1 4.47Å; W741-I803 HydrophobicContact CZ2-CG2 3.99Å; W741-I803 HydrophobicContact CZ3-CB 3.88Å; W741-I803 HydrophobicContact CZ3-CG2 3.49Å; W741-I803 VanDerWaalsContact CZ3-CG2 3.49Å
804R91.9Very high86.9Confident33 Ų3360.5 Ų60.513%0.12531%0.307CS..EExtended strand (participates in β ladder)trans-114.3114.9-178.1179.7-170.6-179.5-98.50.5108.7W730 I731 W732 E762 M789W730-R804 VanDerWaalsContact CD1-NH2 3.3Å; W730-R804 VanDerWaalsContact CE2-NH2 3.26Å; W730-R804 HydrophobicContact CE3-CG 3.99Å; W730-R804 VanDerWaalsContact CH2-NH1 3.34Å; I731-R804 WeakPolarHBondContact O-CA 3.1Å; W732-R804 HydrophobicContact CD2-CB 4.13Å; W732-R804 HydrophobicContact CD2-CG 4.19Å; W732-R804 HydrophobicContact CE3-CB 4.15Å; W732-R804 HydrophobicContact CH2-CB 4.18Å; W732-R804 HydrophobicContact CH2-CG 4.33Å; W732-R804 HydrophobicContact CZ2-CB 4.16Å; W732-R804 HydrophobicContact CZ2-CG 3.83Å; W732-R804 HydrophobicContact CZ3-CB 4.17Å; E762-R804 VanDerWaalsContact CD-NH2 3.25Å; E762-R804 IonicContact OE1-CZ 3.25Å; E762-R804 IonicContact OE1-NH2 2.69Å; E762-R804 PolarHBondContact OE1-NH2 3.2Å; E762-R804 IonicContact OE2-CZ 2.66Å; E762-R804 VanDerWaalsContact OE2-CZ 3.3Å; E762-R804 IonicContact OE2-NE 3.65Å; E762-R804 PolarHBondContact OE2-NE 3.28Å; E762-R804 IonicContact OE2-NH2 3.64Å; E762-R804 PolarHBondContact OE2-NH2 2.83Å; M789-R804 HydrophobicContact CE-CB 4.42Å
805R92.1Very high86.7Confident10 Ų1061.1 Ų61.14%0.03831%0.311CS..EExtended strand (participates in β ladder)trans-121.5151.8178.4-61.2-48.4-147.6-164.28.7111.3Y683 S684 D685 P686 I688 I731 Y733Y683-R805 WeakPolarHBondContact O-CD 3.28Å; Y683-R805 PolarHBondContact O-NE 2.81Å; S684-R805 VanDerWaalsContact O-CB 3.32Å; S684-R805 WeakPolarHBondContact O-CB 3.49Å; D685-R805 PolarHBondContact O-NE 2.99Å; P686-R805 HydrophobicContact CB-CG 4.26Å; I688-R805 PolarHBondContact O-NH2 2.74Å; I731-R805 PolarHBondContact N-O 3.44Å; I731-R805 PolarHBondContact O-N 2.8Å; Y733-R805 HydrophobicContact CE2-CB 4.18Å; Y733-R805 HydrophobicContact CE2-CG 4.46Å
806P92.5Very high86.5Confident1 Ų160.2 Ų60.21%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-71.3159.9169.432.4-34.1000110E680 Y683 S684 T728 K729 W730E680-P806 WeakPolarHBondContact OE1-CG 3.34Å; Y683-P806 HydrophobicContact CD1-CG 3.72Å; Y683-P806 VanDerWaalsContact CE1-CD 3.5Å; Y683-P806 HydrophobicContact CE1-CG 3.95Å; S684-P806 WeakPolarHBondContact CB-O 3.39Å; S684-P806 PolarHBondContact OG-O 2.96Å; T728-P806 HydrophobicContact CG2-CB 3.96Å; K729-P806 CarbonylContact O-C 3.58Å; K729-P806 WeakPolarHBondContact O-CA 3.43Å; W730-P806 HydrophobicContact CE3-CB 4.2Å; W730-P806 HydrophobicContact CZ3-CB 4.23Å; W730-P806 HydrophobicContact CZ3-CG 4.4Å
807K89.4Confident86.4Confident125 Ų12559.5 Ų59.554%0.54328%0.281SS..PPolyproline II helixtrans-79.4126.5158.2-166-159.8172.4-164.70108.1K729 I731K729-K807 HydrophobicContact CB-CB 4.36Å; K729-K807 PolarHBondContact O-N 3.28Å; I731-K807 HydrophobicContact CD1-CB 4.01Å; I731-K807 HydrophobicContact CD1-CG 4.26Å
808F89.8Confident86.2Confident48 Ų4856.3 Ų56.321%0.21127%0.267CS..PPolyproline II helixtrans-55.1143.7170.6-175.4-121000112.1E677 E680 E681 S684E677-F808 HydrophobicContact CB-CE2 4.35Å; E677-F808 HydrophobicContact CB-CZ 4.28Å; E677-F808 WeakPolarHBondContact O-CE2 3.45Å; E680-F808 HydrophobicContact CB-CD2 4.16Å; E680-F808 HydrophobicContact CB-CE2 4.2Å; E680-F808 HydrophobicContact CG-CD2 3.83Å; E680-F808 HydrophobicContact CG-CE2 4.3Å; E681-F808 HydrophobicContact CB-CD1 4.46Å; E681-F808 HydrophobicContact CB-CD2 3.93Å; E681-F808 HydrophobicContact CB-CE1 4.36Å; E681-F808 HydrophobicContact CB-CE2 3.85Å; E681-F808 HydrophobicContact CB-CG 4.25Å; E681-F808 HydrophobicContact CB-CZ 4.07Å; E681-F808 HydrophobicContact CG-CD1 4.37Å; E681-F808 HydrophobicContact CG-CE1 4.43Å; E681-F808 HydrophobicContact CG-CG 4.47Å; S684-F808 PolarHBondContact OG-N 3.09Å
809V86.1Confident85.6Confident28 Ų2860.2 Ų60.217%0.1727%0.274CS..  trans-143.8108.8177.8-178.20000107.5P659 Y660 D813 V814 M817P659-V809 HydrophobicContact CG-CB 4.12Å; P659-V809 HydrophobicContact CG-CG1 4.2Å; Y660-V809 WeakPolarHBondContact CE1-O 3.45Å; Y660-V809 PolarHBondContact OH-O 3.05Å; V809-D813 HydrophobicContact CG1-CB 3.66Å; V809-V814 HydrophobicContact CG1-CG2 4.01Å; V809-M817 HydrophobicContact CG1-CE 3.89Å; V809-M817 HydrophobicContact CG1-SD 4.3Å
810S86.6Confident83.9Confident25 Ų2555.6 Ų55.618%0.17526%0.262CS..  trans-72.7163.7-179.166.70000112.2W812 D813 V814S810-W812 PolarHBondContact O-N 3Å; S810-W812 PolarHBondContact OG-N 3.36Å; S810-D813 WeakPolarHBondContact CB-OD2 3.41Å; S810-D813 PolarHBondContact N-OD2 3.46Å; S810-D813 WeakPolarHBondContact O-CB 3.49Å; S810-D813 PolarHBondContact O-N 3.24Å; S810-D813 VanDerWaalsContact O-N 3.09Å; S810-D813 VanDerWaalsContact OG-CG 3.28Å; S810-D813 PolarHBondContact OG-N 3.1Å; S810-D813 VanDerWaalsContact OG-N 3.08Å; S810-D813 PolarHBondContact OG-OD2 2.82Å; S810-V814 WeakPolarHBondContact O-CG2 3.45Å; S810-V814 PolarHBondContact O-N 3.2Å
811Q84.3Confident81.7Confident81 Ų8159.9 Ų59.938%0.37929%0.292SS..Hα-helixtrans-55.7-31169.1-177164.8-97.300111.9H657 L658 E677 Q815H657-Q811 PolarHBondContact CE1-OE1 3.39Å; H657-Q811 PolarHBondContact ND1-OE1 2.89Å; H657-Q811 VanDerWaalsContact ND1-OE1 3.12Å; L658-Q811 HydrophobicContact CD2-CB 3.82Å; L658-Q811 HydrophobicContact CD2-CG 4.19Å; E677-Q811 WeakPolarHBondContact OE1-CB 3.23Å; E677-Q811 PolarHBondContact OE1-N 3.2Å; Q811-Q815 WeakPolarHBondContact O-CG 3.2Å; Q811-Q815 PolarHBondContact O-N 2.62Å
812W79.2Confident79.1Confident135 Ų13563.9 Ų63.951%0.51131%0.314SS..Hα-helixtrans-67-48.8173.7178.2-103.7000111.8S810 V814 Q815 Q816S810-W812 PolarHBondContact O-N 3Å; S810-W812 PolarHBondContact OG-N 3.36Å; W812-V814 PolarHBondContact O-N 3.37Å; W812-Q815 WeakPolarHBondContact O-CB 3.24Å; W812-Q815 PolarHBondContact O-N 2.66Å; W812-Q816 VanDerWaalsContact CE2-NE2 3.29Å; W812-Q816 PolarHBondContact O-N 2.88Å
813D83.4Confident76.2Confident67 Ų6772.1 Ų72.136%0.35834%0.344SS..Hα-helixtrans-55.4-44.6174.3-64.1-62.7000110.6V809 S810 Q815 Q816 M817V809-D813 HydrophobicContact CG1-CB 3.66Å; S810-D813 WeakPolarHBondContact CB-OD2 3.41Å; S810-D813 PolarHBondContact N-OD2 3.46Å; S810-D813 WeakPolarHBondContact O-CB 3.49Å; S810-D813 PolarHBondContact O-N 3.24Å; S810-D813 VanDerWaalsContact O-N 3.09Å; S810-D813 VanDerWaalsContact OG-CG 3.28Å; S810-D813 PolarHBondContact OG-N 3.1Å; S810-D813 VanDerWaalsContact OG-N 3.08Å; S810-D813 PolarHBondContact OG-OD2 2.82Å; D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.2Å; D813-Q816 PolarHBondContact O-N 2.86Å; D813-Q816 VanDerWaalsContact O-N 3.16Å; D813-M817 HydrophobicContact CB-CE 4.27Å; D813-M817 VanDerWaalsContact O-CG 3.23Å; D813-M817 WeakPolarHBondContact O-CG 3.49Å; D813-M817 PolarHBondContact O-N 3.49Å
814V84Confident73.2Confident4 Ų478.1 Ų78.12%0.02437%0.372CS..Hα-helixtrans-57-45.4176.41710000111.3L658 P659 F726 V809 S810 W812 Q816 M817 K818L658-V814 HydrophobicContact CD2-CG2 4.32Å; P659-V814 HydrophobicContact CG-CG2 4.28Å; F726-V814 HydrophobicContact CE1-CB 4.23Å; F726-V814 HydrophobicContact CE1-CG1 3.79Å; F726-V814 HydrophobicContact CE1-CG2 4.41Å; F726-V814 HydrophobicContact CZ-CG1 4.48Å; V809-V814 HydrophobicContact CG1-CG2 4.01Å; S810-V814 WeakPolarHBondContact O-CG2 3.45Å; S810-V814 PolarHBondContact O-N 3.2Å; W812-V814 PolarHBondContact O-N 3.37Å; V814-Q816 VanDerWaalsContact C-N 3.35Å; V814-Q816 PolarHBondContact O-N 3.04Å; V814-M817 PolarHBondContact O-N 2.82Å; V814-K818 WeakPolarHBondContact O-CG 3.49Å; V814-K818 PolarHBondContact O-N 3Å; V814-K818 VanDerWaalsContact O-N 3.08Å
815Q81.3Confident70.2Confident84 Ų8481.1 Ų81.139%0.39340%0.395SS..Hα-helixtrans-64.5-35.8178.3-73.1177.829.800113Q811 W812 D813Q811-Q815 WeakPolarHBondContact O-CG 3.2Å; Q811-Q815 PolarHBondContact O-N 2.62Å; W812-Q815 WeakPolarHBondContact O-CB 3.24Å; W812-Q815 PolarHBondContact O-N 2.66Å; D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.2Å
816Q75.6Confident67Low74 Ų7485 Ų8535%0.34643%0.43SS..Hα-helixtrans-68.4-43.9174.6-58.6-53.7-24.500111.2W812 D813 V814 K818 R819W812-Q816 VanDerWaalsContact CE2-NE2 3.29Å; W812-Q816 PolarHBondContact O-N 2.88Å; D813-Q816 PolarHBondContact O-N 2.86Å; D813-Q816 VanDerWaalsContact O-N 3.16Å; V814-Q816 VanDerWaalsContact C-N 3.35Å; V814-Q816 PolarHBondContact O-N 3.04Å; Q816-K818 VanDerWaalsContact C-N 3.26Å; Q816-K818 PolarHBondContact O-N 2.93Å; Q816-R819 PolarHBondContact O-N 2.69Å; Q816-R819 VanDerWaalsContact O-N 3.11Å
817M79.8Confident63.9Low50 Ų5092.7 Ų92.725%0.24647%0.466CS..Hα-helixtrans-59.4-32.9176.8-66.8171.8-176.700112.9V725 F726 V809 D813 V814 R819V725-M817 HydrophobicContact CB-CB 4.32Å; V725-M817 HydrophobicContact CB-CG 4.23Å; V725-M817 HydrophobicContact CB-SD 4.4Å; V725-M817 HydrophobicContact CG1-CB 4.19Å; V725-M817 HydrophobicContact CG1-CE 4.28Å; V725-M817 HydrophobicContact CG1-CG 3.62Å; V725-M817 HydrophobicContact CG1-SD 3.94Å; F726-M817 HydrophobicContact CD1-CB 4.27Å; F726-M817 HydrophobicContact CD1-SD 3.85Å; F726-M817 HydrophobicContact CE1-CB 3.41Å; F726-M817 VanDerWaalsContact CE1-CB 3.41Å; F726-M817 HydrophobicContact CE1-CG 4.22Å; F726-M817 HydrophobicContact CE1-SD 3.79Å; F726-M817 HydrophobicContact CE2-CB 4.37Å; F726-M817 HydrophobicContact CZ-CB 3.46Å; F726-M817 VanDerWaalsContact CZ-CB 3.46Å; V809-M817 HydrophobicContact CG1-CE 3.89Å; V809-M817 HydrophobicContact CG1-SD 4.3Å; D813-M817 HydrophobicContact CB-CE 4.27Å; D813-M817 VanDerWaalsContact O-CG 3.23Å; D813-M817 WeakPolarHBondContact O-CG 3.49Å; D813-M817 PolarHBondContact O-N 3.49Å; V814-M817 PolarHBondContact O-N 2.82Å; M817-R819 VanDerWaalsContact C-N 3.3Å; M817-R819 PolarHBondContact O-N 3.19Å
818K78.8Confident60.7Low83 Ų8391.8 Ų91.836%0.36147%0.471SS..Hα-helixtrans-68.4-22.6177.2-70.6-168.3-165.9-137.20114.1L641 F726 V814 Q816 G820L641-K818 WeakPolarHBondContact O-CD 3.3Å; L641-K818 WeakPolarHBondContact O-CE 3.49Å; L641-K818 WeakPolarHBondContact O-CG 3.44Å; L641-K818 PolarHBondContact O-NZ 2.78Å; F726-K818 HydrophobicContact CE1-CG 4.44Å; F726-K818 HydrophobicContact CE2-CG 4.22Å; F726-K818 HydrophobicContact CZ-CB 4.44Å; F726-K818 HydrophobicContact CZ-CG 3.54Å; V814-K818 WeakPolarHBondContact O-CG 3.49Å; V814-K818 PolarHBondContact O-N 3Å; V814-K818 VanDerWaalsContact O-N 3.08Å; Q816-K818 VanDerWaalsContact C-N 3.26Å; Q816-K818 PolarHBondContact O-N 2.93Å; K818-G820 VanDerWaalsContact C-N 3.29Å; K818-G820 PolarHBondContact O-N 3.35Å
819R74.7Confident57.5Low153 Ų15394 Ų9458%0.57749%0.492SS*.THydrogen-bonded Turntrans-73.6-20.8-174.8-68.2177.2-176.5-165.91.4113.3Q816 M817Q816-R819 PolarHBondContact O-N 2.69Å; Q816-R819 VanDerWaalsContact O-N 3.11Å; M817-R819 VanDerWaalsContact C-N 3.3Å; M817-R819 PolarHBondContact O-N 3.19Å
820G53.3Low54.7Low35 Ų3598.5 Ų98.536%0.36153%0.525SS..  trans76.1163.3172.500000114.8K818 D822K818-G820 VanDerWaalsContact C-N 3.29Å; K818-G820 PolarHBondContact O-N 3.35Å; G820-D822 VanDerWaalsContact C-N 3.31Å; G820-D822 PolarHBondContact O-N 3.46Å
821P43Very low51.7Low119 Ų119103.2 Ų103.277%0.77355%0.552SS**SBendtrans-90.647.8-174.438.1-37.3000113.3
822D33Very low49.2Very low154 Ų154104.4 Ų104.482%0.82457%0.569SS**  trans-104.7127.6166.2-94.9-52.9000109.1G820G820-D822 VanDerWaalsContact C-N 3.31Å; G820-D822 PolarHBondContact O-N 3.46Å
823R29.2Very low46.6Very low181 Ų181104.9 Ų104.968%0.68358%0.581SS**  trans70.483.6-160.8-56.4177.2162.2-134.1-7.2114.6K902R823-K902 PolarHBondContact NH1-O 2.89Å; R823-K902 PolarHBondContact NH2-O 2.91Å; R823-K902 VanDerWaalsContact NH2-O 3.13Å
824Q30.3Very low43.6Very low150 Ų150105.3 Ų105.370%0.70159%0.587SS**  trans-85.9137.3139.4-74.6-131.3-31.200109
825P28.8Very low40.7Very low96 Ų96109.1 Ų109.162%0.62362%0.619SS**  -88.4157.4122.7-26.437.1000111.9Q827P825-Q827 PolarHBondContact O-N 3.11Å
826A23.7Very low38Very low92 Ų92110.9 Ų110.976%0.7664%0.635SS**  trans-35.6124.4-16900000117.5
827Q27.2Very low35.8Very low162 Ų162114.1 Ų114.176%0.75765%0.648SS**  17.4120.7129-56.3176.213.400117P825P825-Q827 PolarHBondContact O-N 3.11Å
828T22.8Very low33.4Very low107 Ų107119 Ų11966%0.65667%0.674SS**  -153.8124.7114.8-8.50000112.7K865T828-K865 PolarHBondContact OG1-NZ 2.76Å; T828-K865 VanDerWaalsContact OG1-NZ 3.07Å
829S23.4Very low31Very low94 Ų94120.1 Ų120.166%0.65769%0.691SS**  trans25.5110.8145.1-166.60000118.8V831S829-V831 PolarHBondContact O-N 2.98Å
830S25.7Very low29.1Very low122 Ų122121.8 Ų121.885%0.85371%0.705SS**  trans-73110.3146.754.60000109.5
831V24.6Very low27.8Very low125 Ų125128.3 Ų128.376%0.75873%0.726SS**  trans-99.2136.9154.6176.10000107.5S829S829-V831 PolarHBondContact O-N 2.98Å
832S31.8Very low27Very low105 Ų105129.1 Ų129.173%0.73472%0.724SS**  trans-65141.1-176.1-55.20000112.9
833L23.9Very low26.6Very low145 Ų145128.1 Ų128.176%0.75972%0.718SS**  trans-121.2113.3139.6-65.7173000105.7A835L833-A835 PolarHBondContact O-N 3Å
834T21.5Very low26.2Very low77 Ų77125.7 Ų125.747%0.47273%0.727SS.*  35.7669045.10000113.1T836T834-T836 PolarHBondContact O-N 3.12Å
835A22Very low26.1Very low84 Ų84127.3 Ų127.369%0.69473%0.732SS**  trans-67.280.2161.900000109.9L833 F837L833-A835 PolarHBondContact O-N 3Å; A835-F837 VanDerWaalsContact C-N 3.33Å; A835-F837 PolarHBondContact O-N 3.29Å
836T24.3Very low26.7Very low121 Ų121130.1 Ų130.174%0.74274%0.741SS**  trans-68.491.1171-56.60000108.8T834 L838T834-T836 PolarHBondContact O-N 3.12Å; T836-L838 PolarHBondContact O-N 3.07Å
837F30.1Very low27.1Very low142 Ų142130.4 Ų130.462%0.62374%0.738SS**  trans-63.3103.3171-93.5-82.7000110.7A835A835-F837 VanDerWaalsContact C-N 3.33Å; A835-F837 PolarHBondContact O-N 3.29Å
838L28.3Very low27.7Very low151 Ų151128.6 Ų128.679%0.79174%0.742SS**  trans-143.8145.8155.1-83.3-169.1000108.2T836T836-L838 PolarHBondContact O-N 3.07Å
839P28.7Very low28.9Very low108 Ų108129.5 Ų129.570%0.70174%0.743SS**  -117.3163.6-95.837.7-34.2000113.5
840Q35.3Very low31Very low187 Ų187129.6 Ų129.687%0.87473%0.732SS**  trans-94.1104.2163.9179.9175.1-15.300109
841E27Very low33.7Very low172 Ų172126.2 Ų126.280%0.80470%0.701SS**  trans-114.9135.2149.4-78.2-177.1155.700108.3
842D25.4Very low36.6Very low137 Ų137126 Ų12673%0.73369%0.689SS**SBendtrans62.296.2161.2-61.5-6000121.7
843L24.4Very low39.3Very low132 Ų132124 Ų12469%0.69167%0.671SS**  70.1103.3123.5-67.2165.1000118.8
844C20.8Very low42.3Very low130 Ų130118.6 Ų118.688%0.87865%0.645SS**  -132.7109.1116.8-88.10000110.1
845F28.6Very low45.5Very low185 Ų185120 Ų12081%0.81165%0.646SS**  trans-67.6158.1141-111.4-89.8000107.8
846L41.3Very low48.8Very low154 Ų154116.8 Ų116.881%0.80662%0.617SS**  trans73.184.6175.8-46.2178.9000116.9
847S31.4Very low51.8Low99 Ų99116.5 Ų116.569%0.69261%0.607SS**  trans-160.6140.3139.8-87.40000111.8N849S847-N849 PolarHBondContact O-N 3.06Å
848S40Very low54.1Low123 Ų123114.9 Ų114.986%0.8660%0.601SS**  trans-80.337.8-173.1-53.70000113.9K850S848-K850 PolarHBondContact O-N 3Å
849N49.2Very low56.5Low126 Ų126113.9 Ų113.967%0.67460%0.596SS**  trans-89.297.5-166.6-67-1.5000111.3S847 Y851S847-N849 PolarHBondContact O-N 3.06Å; N849-Y851 PolarHBondContact O-N 3.18Å
850K67.1Low59.3Low96 Ų96112.4 Ų112.442%0.41758%0.579SS.*  trans-64.9-6.2-175.7-55.9-176.7-174.3176.20115.9S848 N887 A922 N923S848-K850 PolarHBondContact O-N 3Å; K850-N887 PolarHBondContact O-ND2 3.45Å; K850-A922 HydrophobicContact CB-CB 4.44Å; K850-A922 HydrophobicContact CD-CB 4.44Å; K850-A922 WeakPolarHBondContact CD-O 3.4Å; K850-N923 PolarHBondContact NZ-OD1 2.63Å
851Y82.7Confident61.8Low52 Ų52107.4 Ų107.420%0.20456%0.563CS.*  trans-150.6161.3-17073.8-82.2000111.9N849 L853 E886 E918 C921 A922N849-Y851 PolarHBondContact O-N 3.18Å; Y851-L853 HydrophobicContact CD2-CG 4.2Å; Y851-L853 HydrophobicContact CE2-CD1 3.88Å; Y851-L853 HydrophobicContact CE2-CG 3.92Å; Y851-E886 WeakPolarHBondContact CA-O 3.49Å; Y851-E918 WeakPolarHBondContact OH-CA 3.33Å; Y851-E918 WeakPolarHBondContact OH-CB 3.41Å; Y851-E918 WeakPolarHBondContact OH-CG 3.39Å; Y851-C921 WeakPolarHBondContact CB-O 3.04Å; Y851-C921 HydrophobicContact CD1-CB 4.09Å; Y851-C921 HydrophobicContact CD2-CB 3.34Å; Y851-C921 HydrophobicContact CE1-CB 4.24Å; Y851-C921 HydrophobicContact CE2-CB 3.5Å; Y851-C921 HydrophobicContact CG-CB 3.66Å; Y851-A922 HydrophobicContact CD1-CB 3.68Å; Y851-A922 HydrophobicContact CE1-CB 3.87Å
852K85.5Confident64.7Low119 Ų119101.1 Ų101.152%0.51753%0.534SS..EExtended strand (participates in β ladder)trans-125.4145.4173.7169.7170.9167.5-108.70110.4S854 E886K852-S854 WeakPolarHBondContact CE-OG 3.5Å; K852-S854 PolarHBondContact NZ-OG 2.89Å; K852-E886 HydrophobicContact CB-CB 4.19Å; K852-E886 PolarHBondContact N-O 3.43Å; K852-E886 IonicContact NZ-OE2 3.29Å; K852-E886 PolarHBondContact NZ-OE2 3.25Å; K852-E886 PolarHBondContact O-N 2.86Å
853L87.7Confident67.8Low65 Ų6596 Ų9634%0.3450%0.504SS..EExtended strand (participates in β ladder)trans-115.3124.7173-78.3168.2000109.4Y851 K883 K884 I885 V917 V1013Y851-L853 HydrophobicContact CD2-CG 4.2Å; Y851-L853 HydrophobicContact CE2-CD1 3.88Å; Y851-L853 HydrophobicContact CE2-CG 3.92Å; L853-K883 HydrophobicContact CD2-CB 4.16Å; L853-K884 WeakPolarHBondContact CA-O 3.47Å; L853-I885 HydrophobicContact CD2-CB 4.5Å; L853-I885 HydrophobicContact CD2-CG1 3.75Å; L853-V917 HydrophobicContact CD1-CG1 4.28Å; L853-V1013 HydrophobicContact CD2-CG2 4.23Å
854S86.3Confident70.9Confident30 Ų3092.5 Ų92.521%0.2149%0.488CS..EExtended strand (participates in β ladder)trans-122.5114.8-176.8-60.90000110.1K852 K883 K884 E886K852-S854 WeakPolarHBondContact CE-OG 3.5Å; K852-S854 PolarHBondContact NZ-OG 2.89Å; S854-K883 CarbonylContact O-C 3.44Å; S854-K883 WeakPolarHBondContact O-CA 3.26Å; S854-K884 PolarHBondContact N-O 2.98Å; S854-K884 WeakPolarHBondContact O-CB 3.38Å; S854-K884 PolarHBondContact O-N 2.69Å; S854-E886 PolarHBondContact OG-OE2 3.07Å; S854-E886 VanDerWaalsContact OG-OE2 3.07Å
855E90.2Very high74.3Confident108 Ų10891.8 Ų91.851%0.50547%0.47SS..EExtended strand (participates in β ladder)trans-71.9129.1-179.3-165.6169.2131.500111.7K881 K883E855-K881 IonicContact OE1-NZ 2.66Å; E855-K881 PolarHBondContact OE1-NZ 3.12Å; E855-K881 WeakPolarHBondContact OE2-CD 3.21Å; E855-K881 IonicContact OE2-NZ 2.7Å; E855-K881 PolarHBondContact OE2-NZ 2.93Å; E855-K883 HydrophobicContact CB-CG 4.35Å; E855-K883 HydrophobicContact CG-CG 4.34Å
856I91.3Very high77.3Confident16 Ų1683.4 Ų83.48%0.08243%0.434CS..PPolyproline II helixtrans-92124.2-176.8-44.9-179.8000109.7H860 E862 Y863 I882 K884 Y1012I856-H860 HydrophobicContact CG2-CB 3.85Å; I856-E862 HydrophobicContact CD1-CG 4.23Å; I856-Y863 WeakPolarHBondContact O-CD2 3.35Å; I856-I882 HydrophobicContact CD1-CG2 3.97Å; I856-I882 PolarHBondContact N-O 3.18Å; I856-K884 HydrophobicContact CD1-CB 4.03Å; I856-K884 HydrophobicContact CG1-CB 4.03Å; I856-Y1012 HydrophobicContact CD1-CD1 3.83Å; I856-Y1012 HydrophobicContact CD1-CE1 3.84Å
857H86.1Confident79.7Confident115 Ų11576.3 Ų76.353%0.53240%0.397SS..PPolyproline II helixtrans-64.1140.7177-170.2-105.4000112.4L859 H860 Y863H857-L859 PolarHBondContact O-N 2.79Å; H857-L859 VanDerWaalsContact O-N 3.11Å; H857-H860 WeakPolarHBondContact O-CB 3.1Å; H857-H860 PolarHBondContact O-N 3.34Å; H857-Y863 WeakPolarHBondContact O-CB 3.44Å
858H79.4Confident82.5Confident107 Ų10777.5 Ų77.550%0.49539%0.392SS..THydrogen-bonded Turntrans-62.4-23.1-170.363.8-89.2000115.4Y863H858-Y863 HydrophobicContact CB-CD1 4.27Å; H858-Y863 HydrophobicContact CB-CE1 4Å; H858-Y863 HydrophobicContact CB-CE2 4.33Å; H858-Y863 VanDerWaalsContact O-CD1 3.29Å; H858-Y863 WeakPolarHBondContact O-CD1 3.45Å
859L78.6Confident84.9Confident130 Ų13075 Ų7568%0.68137%0.366SS*.THydrogen-bonded Turntrans-84.5-7.5174.9-59179.3000114H857H857-L859 PolarHBondContact O-N 2.79Å; H857-L859 VanDerWaalsContact O-N 3.11Å
860H87.7Confident87Confident77 Ų7769 Ų6936%0.35633%0.334SS..SBendtrans-74.3135.8-176.5-167.1-116.9000110.5I856 H857 E862 Y863 V864I856-H860 HydrophobicContact CG2-CB 3.85Å; H857-H860 WeakPolarHBondContact O-CB 3.1Å; H857-H860 PolarHBondContact O-N 3.34Å; H860-E862 IonicContact CE1-OE2 2.69Å; H860-E862 VanDerWaalsContact ND1-CB 3.27Å; H860-E862 WeakPolarHBondContact ND1-CB 3.43Å; H860-E862 IonicContact ND1-OE2 3.1Å; H860-E862 PolarHBondContact O-N 3.06Å; H860-Y863 WeakPolarHBondContact O-CA 3.19Å; H860-Y863 WeakPolarHBondContact O-CB 3.37Å; H860-Y863 PolarHBondContact O-N 3.08Å; H860-V864 PolarHBondContact O-N 3.43Å
861P86.6Confident88.1Confident83 Ų8369 Ų6954%0.53934%0.335SS..Hα-helixtrans-60.8-22.9-177.522.7-34.6000113.9K865P861-K865 VanDerWaalsContact O-CG 3.31Å; P861-K865 WeakPolarHBondContact O-CG 3.23Å; P861-K865 PolarHBondContact O-N 3.23Å
862E87.9Confident88.4Confident40 Ų4069.8 Ų69.819%0.18735%0.351CS..Hα-helixtrans-68.9-41.7171.2-162.8171.5-15700111.8I856 H860 V866 K884 Y1012I856-E862 HydrophobicContact CD1-CG 4.23Å; H860-E862 IonicContact CE1-OE2 2.69Å; H860-E862 VanDerWaalsContact ND1-CB 3.27Å; H860-E862 WeakPolarHBondContact ND1-CB 3.43Å; H860-E862 IonicContact ND1-OE2 3.1Å; H860-E862 PolarHBondContact O-N 3.06Å; E862-V866 WeakPolarHBondContact O-CG2 3.46Å; E862-V866 PolarHBondContact O-N 3.13Å; E862-V866 VanDerWaalsContact O-N 3.12Å; E862-K884 VanDerWaalsContact OE1-CE 3.27Å; E862-K884 WeakPolarHBondContact OE1-CE 3.16Å; E862-K884 IonicContact OE1-NZ 3.14Å; E862-K884 PolarHBondContact OE1-NZ 3.13Å; E862-K884 IonicContact OE2-NZ 3.35Å; E862-K884 PolarHBondContact OE2-NZ 3.37Å; E862-Y1012 HydrophobicContact CG-CE1 4.05Å; E862-Y1012 WeakPolarHBondContact CG-OH 3.2Å; E862-Y1012 PolarHBondContact OE1-OH 3.14Å
863Y91Very high88.5Confident29 Ų2965.3 Ų65.311%0.11434%0.335CS..Hα-helixtrans-62.4-44.9172.8-178.4-78.6000110.4I856 H857 H858 H860 V866 S867 I879 I882I856-Y863 WeakPolarHBondContact O-CD2 3.35Å; H857-Y863 WeakPolarHBondContact O-CB 3.44Å; H858-Y863 HydrophobicContact CB-CD1 4.27Å; H858-Y863 HydrophobicContact CB-CE1 4Å; H858-Y863 HydrophobicContact CB-CE2 4.33Å; H858-Y863 VanDerWaalsContact O-CD1 3.29Å; H858-Y863 WeakPolarHBondContact O-CD1 3.45Å; H860-Y863 WeakPolarHBondContact O-CA 3.19Å; H860-Y863 WeakPolarHBondContact O-CB 3.37Å; H860-Y863 PolarHBondContact O-N 3.08Å; Y863-V866 PolarHBondContact O-N 2.73Å; Y863-S867 WeakPolarHBondContact O-CB 3.11Å; Y863-S867 PolarHBondContact O-N 2.83Å; Y863-I879 HydrophobicContact CE2-CG2 4.46Å; Y863-I882 HydrophobicContact CD1-CD1 4.47Å; Y863-I882 HydrophobicContact CD2-CB 3.9Å; Y863-I882 HydrophobicContact CD2-CD1 3.6Å; Y863-I882 HydrophobicContact CD2-CG1 3.78Å; Y863-I882 HydrophobicContact CE1-CD1 4.5Å; Y863-I882 HydrophobicContact CE2-CB 4.05Å; Y863-I882 HydrophobicContact CE2-CD1 3.64Å; Y863-I882 HydrophobicContact CE2-CG1 3.57Å; Y863-I882 HydrophobicContact CG-CD1 4.02Å
864V90.2Very high88.4Confident58 Ų5862.2 Ų62.235%0.35232%0.319SS..Hα-helixtrans-59.3-51.8179.11790000110.8H860 V866 S867 E868H860-V864 PolarHBondContact O-N 3.43Å; V864-V866 PolarHBondContact O-N 3.37Å; V864-S867 PolarHBondContact O-N 3.02Å; V864-S867 VanDerWaalsContact O-N 3.16Å; V864-E868 HydrophobicContact CG1-CG 4.26Å; V864-E868 WeakPolarHBondContact O-CB 3.46Å; V864-E868 WeakPolarHBondContact O-CG 3.39Å; V864-E868 PolarHBondContact O-N 2.83Å
865K91.6Very high88.2Confident116 Ų11668.8 Ų68.850%0.50434%0.344SS..Hα-helixtrans-56.1-45.4178.1-74.6174.8178.9-176.70112.7T828 P861 H869T828-K865 PolarHBondContact OG1-NZ 2.76Å; T828-K865 VanDerWaalsContact OG1-NZ 3.07Å; P861-K865 VanDerWaalsContact O-CG 3.31Å; P861-K865 WeakPolarHBondContact O-CG 3.23Å; P861-K865 PolarHBondContact O-N 3.23Å; K865-H869 WeakPolarHBondContact O-CB 3.47Å; K865-H869 PolarHBondContact O-N 3Å; K865-H869 VanDerWaalsContact O-N 3.14Å
866V91Very high87.9Confident9 Ų969.5 Ų69.56%0.05535%0.351CS..Hα-helixtrans-71-37.4178.7178.90000111.4E862 Y863 V864 H869 F870 I882 V965 Y1012 I1014E862-V866 WeakPolarHBondContact O-CG2 3.46Å; E862-V866 PolarHBondContact O-N 3.13Å; E862-V866 VanDerWaalsContact O-N 3.12Å; Y863-V866 PolarHBondContact O-N 2.73Å; V864-V866 PolarHBondContact O-N 3.37Å; V866-H869 PolarHBondContact O-N 2.8Å; V866-F870 WeakPolarHBondContact O-CB 3.28Å; V866-F870 PolarHBondContact O-N 3.37Å; V866-I882 HydrophobicContact CB-CD1 4.11Å; V866-I882 HydrophobicContact CG1-CD1 3.93Å; V866-I882 HydrophobicContact CG1-CG2 4.28Å; V866-V965 HydrophobicContact CG1-CG2 4.38Å; V866-Y1012 HydrophobicContact CG1-CD2 4.37Å; V866-Y1012 HydrophobicContact CG2-CD2 3.72Å; V866-Y1012 HydrophobicContact CG2-CE1 4.36Å; V866-Y1012 HydrophobicContact CG2-CE2 3.46Å; V866-Y1012 VanDerWaalsContact CG2-CE2 3.46Å; V866-Y1012 HydrophobicContact CG2-CG 4.28Å; V866-I1014 HydrophobicContact CG1-CD1 3.72Å; V866-I1014 HydrophobicContact CG1-CG1 4.2Å
867S91.3Very high87.6Confident4 Ų470 Ų703%0.02835%0.353CS..Hα-helixtrans-65.8-42.7177.7-167.80000112.2Y863 V864 K871 I879Y863-S867 WeakPolarHBondContact O-CB 3.11Å; Y863-S867 PolarHBondContact O-N 2.83Å; V864-S867 PolarHBondContact O-N 3.02Å; V864-S867 VanDerWaalsContact O-N 3.16Å; S867-K871 VanDerWaalsContact O-CB 3.23Å; S867-K871 WeakPolarHBondContact O-CB 3.49Å; S867-K871 WeakPolarHBondContact O-CD 3.5Å; S867-K871 WeakPolarHBondContact O-CG 3.38Å; S867-K871 PolarHBondContact O-N 3.19Å; S867-K871 VanDerWaalsContact OG-CE 3.29Å; S867-K871 WeakPolarHBondContact OG-CE 3.04Å; S867-K871 PolarHBondContact OG-NZ 2.84Å; S867-I879 WeakPolarHBondContact OG-CD1 3.3Å
868E91.4Very high87.7Confident125 Ų12570.4 Ų70.458%0.58435%0.353SS*.Hα-helixtrans-63.5-46.4174.8-73.5174.6165.200111.3V864 F870 K871 A872V864-E868 HydrophobicContact CG1-CG 4.26Å; V864-E868 WeakPolarHBondContact O-CB 3.46Å; V864-E868 WeakPolarHBondContact O-CG 3.39Å; V864-E868 PolarHBondContact O-N 2.83Å; E868-F870 VanDerWaalsContact C-N 3.33Å; E868-F870 PolarHBondContact O-N 3.31Å; E868-K871 PolarHBondContact O-N 3.43Å; E868-A872 PolarHBondContact O-N 2.78Å
869H90.7Very high88.2Confident69 Ų6965.9 Ų65.932%0.31933%0.333SS..Hα-helixtrans-61.5-39.8178.7-169.937.3000112.3K865 V866 F909K865-H869 WeakPolarHBondContact O-CB 3.47Å; K865-H869 PolarHBondContact O-N 3Å; K865-H869 VanDerWaalsContact O-N 3.14Å; V866-H869 PolarHBondContact O-N 2.8Å; H869-F909 HydrophobicContact CB-CZ 4.41Å; H869-F909 AromaticContact CD2-CE2 3.78Å; H869-F909 AromaticContact CD2-CZ 3.49Å; H869-F909 VanDerWaalsContact CD2-CZ 3.49Å; H869-F909 WeakPolarHBondContact CD2-CZ 3.36Å; H869-F909 AromaticContact CE1-CE2 3.82Å; H869-F909 AromaticContact CG-CZ 3.8Å; H869-F909 AromaticContact NE2-CE2 3.56Å; H869-F909 AromaticContact NE2-CZ 3.8Å
870F91.9Very high88.7Confident0 Ų064.4 Ų64.40%032%0.322CS..Hα-helixtrans-66.6-52.8172.6-179.3-96.4000111.8V866 E868 A872 S873 M874 F877 I879 F909 A947 M963 I1014 Y1016V866-F870 WeakPolarHBondContact O-CB 3.28Å; V866-F870 PolarHBondContact O-N 3.37Å; E868-F870 VanDerWaalsContact C-N 3.33Å; E868-F870 PolarHBondContact O-N 3.31Å; F870-A872 PolarHBondContact O-N 3.25Å; F870-S873 PolarHBondContact O-N 3.14Å; F870-S873 PolarHBondContact O-OG 3.49Å; F870-M874 HydrophobicContact CD1-CB 3.69Å; F870-M874 HydrophobicContact CD1-CG 4.32Å; F870-M874 HydrophobicContact CD2-CB 4.4Å; F870-M874 HydrophobicContact CD2-CG 4.15Å; F870-M874 HydrophobicContact CE1-CB 3.4Å; F870-M874 VanDerWaalsContact CE1-CB 3.4Å; F870-M874 HydrophobicContact CE1-CG 3.98Å; F870-M874 HydrophobicContact CE2-CB 4.16Å; F870-M874 HydrophobicContact CE2-CE 4.13Å; F870-M874 HydrophobicContact CE2-CG 3.79Å; F870-M874 HydrophobicContact CG-CB 4.2Å; F870-M874 HydrophobicContact CG-CG 4.41Å; F870-M874 HydrophobicContact CZ-CB 3.66Å; F870-M874 HydrophobicContact CZ-CE 3.68Å; F870-M874 HydrophobicContact CZ-CG 3.69Å; F870-M874 WeakPolarHBondContact O-CB 3.36Å; F870-M874 PolarHBondContact O-N 3.05Å; F870-F877 HydrophobicContact CE1-CB 4.13Å; F870-F877 HydrophobicContact CZ-CB 4.46Å; F870-I879 HydrophobicContact CB-CD1 4.26Å; F870-I879 HydrophobicContact CD1-CD1 3.67Å; F870-I879 HydrophobicContact CD1-CG1 3.77Å; F870-I879 HydrophobicContact CE1-CD1 4.3Å; F870-I879 HydrophobicContact CE1-CG1 3.88Å; F870-I879 HydrophobicContact CG-CD1 4.17Å; F870-F909 HydrophobicContact CB-CE1 4.31Å; F870-F909 HydrophobicContact CD2-CE1 4.18Å; F870-A947 HydrophobicContact CD2-CB 3.73Å; F870-A947 HydrophobicContact CE2-CB 4.07Å; F870-M963 HydrophobicContact CD2-CG 4.3Å; F870-M963 HydrophobicContact CE2-CB 4.15Å; F870-M963 HydrophobicContact CE2-CE 4.37Å; F870-M963 HydrophobicContact CE2-CG 4.06Å; F870-I1014 HydrophobicContact CB-CD1 4.11Å; F870-I1014 HydrophobicContact CD2-CD1 3.83Å; F870-I1014 HydrophobicContact CG-CD1 4.16Å; F870-Y1016 HydrophobicContact CE1-CG 4.43Å; F870-Y1016 HydrophobicContact CE2-CD1 4.29Å; F870-Y1016 HydrophobicContact CE2-CE1 4.48Å; F870-Y1016 HydrophobicContact CE2-CG 4.39Å; F870-Y1016 AromaticContact CZ-CD1 3.99Å; F870-Y1016 HydrophobicContact CZ-CD1 3.99Å; F870-Y1016 AromaticContact CZ-CD2 3.75Å; F870-Y1016 HydrophobicContact CZ-CD2 3.75Å; F870-Y1016 HydrophobicContact CZ-CE1 4.42Å; F870-Y1016 HydrophobicContact CZ-CE2 4.16Å; F870-Y1016 AromaticContact CZ-CG 3.65Å; F870-Y1016 HydrophobicContact CZ-CG 3.65Å
871K90.1Very high88.8Confident98 Ų9864.5 Ų64.543%0.42632%0.322SS..Hα-helixtrans-65.1-20.2-177.1-75168177.1160.30114.2S867 E868 S873 K875S867-K871 VanDerWaalsContact O-CB 3.23Å; S867-K871 WeakPolarHBondContact O-CB 3.49Å; S867-K871 WeakPolarHBondContact O-CD 3.5Å; S867-K871 WeakPolarHBondContact O-CG 3.38Å; S867-K871 PolarHBondContact O-N 3.19Å; S867-K871 VanDerWaalsContact OG-CE 3.29Å; S867-K871 WeakPolarHBondContact OG-CE 3.04Å; S867-K871 PolarHBondContact OG-NZ 2.84Å; E868-K871 PolarHBondContact O-N 3.43Å; K871-S873 PolarHBondContact O-N 2.88Å; K871-K875 VanDerWaalsContact O-CG 3.28Å; K871-K875 WeakPolarHBondContact O-CG 3.36Å
872A90.1Very high89.1Confident67 Ų6760.6 Ų60.655%0.55430%0.296SS*.THydrogen-bonded Turntrans-51.5-38.9173.100000111.9E868 F870 K875E868-A872 PolarHBondContact O-N 2.78Å; F870-A872 PolarHBondContact O-N 3.25Å; A872-K875 WeakPolarHBondContact O-CE 3.5Å
873S87.4Confident89.3Confident26 Ų2661 Ų6118%0.18230%0.297CS..THydrogen-bonded Turntrans-109.3-35175.166.10000113.8F870 K871 K875 A947 I948F870-S873 PolarHBondContact O-N 3.14Å; F870-S873 PolarHBondContact O-OG 3.49Å; K871-S873 PolarHBondContact O-N 2.88Å; S873-K875 PolarHBondContact O-N 3.02Å; S873-A947 PolarHBondContact OG-N 3.27Å; S873-I948 PolarHBondContact OG-N 3.03Å
874M85.1Confident89.4Confident0 Ų062 Ų620%030%0.302CS..  trans-93.659.8-176-66.3-72.8-83.200112.4F870 N876 F877 A947 I948 H951 Y1016F870-M874 HydrophobicContact CD1-CB 3.69Å; F870-M874 HydrophobicContact CD1-CG 4.32Å; F870-M874 HydrophobicContact CD2-CB 4.4Å; F870-M874 HydrophobicContact CD2-CG 4.15Å; F870-M874 HydrophobicContact CE1-CB 3.4Å; F870-M874 VanDerWaalsContact CE1-CB 3.4Å; F870-M874 HydrophobicContact CE1-CG 3.98Å; F870-M874 HydrophobicContact CE2-CB 4.16Å; F870-M874 HydrophobicContact CE2-CE 4.13Å; F870-M874 HydrophobicContact CE2-CG 3.79Å; F870-M874 HydrophobicContact CG-CB 4.2Å; F870-M874 HydrophobicContact CG-CG 4.41Å; F870-M874 HydrophobicContact CZ-CB 3.66Å; F870-M874 HydrophobicContact CZ-CE 3.68Å; F870-M874 HydrophobicContact CZ-CG 3.69Å; F870-M874 WeakPolarHBondContact O-CB 3.36Å; F870-M874 PolarHBondContact O-N 3.05Å; M874-N876 VanDerWaalsContact C-N 3.34Å; M874-N876 PolarHBondContact O-N 3.01Å; M874-F877 HydrophobicContact CB-CB 4.42Å; M874-F877 HydrophobicContact CB-CD2 3.92Å; M874-F877 HydrophobicContact CE-CB 4.35Å; M874-F877 HydrophobicContact CE-CD1 4.05Å; M874-F877 HydrophobicContact CE-CD2 3.34Å; M874-F877 HydrophobicContact CE-CE1 4.16Å; M874-F877 HydrophobicContact CE-CE2 3.47Å; M874-F877 VanDerWaalsContact CE-CE2 3.47Å; M874-F877 HydrophobicContact CE-CG 3.64Å; M874-F877 HydrophobicContact CE-CZ 3.89Å; M874-F877 HydrophobicContact CG-CD2 4.4Å; M874-F877 PolarHBondContact O-N 2.86Å; M874-F877 HydrophobicContact SD-CD2 3.66Å; M874-F877 HydrophobicContact SD-CE2 3.63Å; M874-F877 HydrophobicContact SD-CZ 4.48Å; M874-A947 HydrophobicContact CG-CB 3.57Å; M874-I948 VanDerWaalsContact SD-CA 3.54Å; M874-I948 HydrophobicContact SD-CB 3.89Å; M874-I948 HydrophobicContact SD-CD1 3.49Å; M874-I948 WeakPolarHBondContact SD-CD1 3.46Å; M874-I948 HydrophobicContact SD-CG1 4.27Å; M874-H951 HydrophobicContact CE-CB 3.75Å; M874-H951 HydrophobicContact SD-CB 4.07Å; M874-Y1016 HydrophobicContact CE-CD2 4.05Å; M874-Y1016 HydrophobicContact CE-CE2 3.42Å; M874-Y1016 VanDerWaalsContact CE-CE2 3.42Å
875K83.2Confident89.4Confident167 Ų16759.2 Ų59.273%0.72629%0.285SS*.THydrogen-bonded Turntrans-67.7-26.5-173-66.2-179.6-178.7178.10115.2K871 A872 S873K871-K875 VanDerWaalsContact O-CG 3.28Å; K871-K875 WeakPolarHBondContact O-CG 3.36Å; A872-K875 WeakPolarHBondContact O-CE 3.5Å; S873-K875 PolarHBondContact O-N 3.02Å
876N83.4Confident89.2Confident123 Ų12357 Ų5766%0.65828%0.277SS*.THydrogen-bonded Turntrans-95.15.2-174.6-60.63.1000113.3M874 A1019M874-N876 VanDerWaalsContact C-N 3.34Å; M874-N876 PolarHBondContact O-N 3.01Å; N876-A1019 VanDerWaalsContact O-CB 3.27Å; N876-A1019 WeakPolarHBondContact O-CB 3.49Å; N876-A1019 PolarHBondContact O-N 3.06Å
877F85.6Confident89Confident27 Ų2756.5 Ų56.512%0.11827%0.274CS..EExtended strand (participates in β ladder)trans-113136.7-171.6-64.9-86.7000111.5F870 M874 I948 H951 Y1016 T1017 D1018F870-F877 HydrophobicContact CE1-CB 4.13Å; F870-F877 HydrophobicContact CZ-CB 4.46Å; M874-F877 HydrophobicContact CB-CB 4.42Å; M874-F877 HydrophobicContact CB-CD2 3.92Å; M874-F877 HydrophobicContact CE-CB 4.35Å; M874-F877 HydrophobicContact CE-CD1 4.05Å; M874-F877 HydrophobicContact CE-CD2 3.34Å; M874-F877 HydrophobicContact CE-CE1 4.16Å; M874-F877 HydrophobicContact CE-CE2 3.47Å; M874-F877 VanDerWaalsContact CE-CE2 3.47Å; M874-F877 HydrophobicContact CE-CG 3.64Å; M874-F877 HydrophobicContact CE-CZ 3.89Å; M874-F877 HydrophobicContact CG-CD2 4.4Å; M874-F877 PolarHBondContact O-N 2.86Å; M874-F877 HydrophobicContact SD-CD2 3.66Å; M874-F877 HydrophobicContact SD-CE2 3.63Å; M874-F877 HydrophobicContact SD-CZ 4.48Å; F877-I948 HydrophobicContact CE2-CD1 4.25Å; F877-H951 AromaticContact CE1-CE1 3.8Å; F877-H951 AromaticContact CE1-NE2 3.91Å; F877-H951 AromaticContact CZ-CD2 3.99Å; F877-H951 AromaticContact CZ-CE1 3.8Å; F877-H951 AromaticContact CZ-NE2 3.46Å; F877-H951 WeakPolarHBondContact CZ-NE2 3.35Å; F877-Y1016 HydrophobicContact CB-CD2 4.09Å; F877-Y1016 AromaticContact CD1-CD2 3.78Å; F877-Y1016 HydrophobicContact CD1-CD2 3.78Å; F877-Y1016 AromaticContact CD1-CE2 3.93Å; F877-Y1016 HydrophobicContact CD1-CE2 3.93Å; F877-Y1016 HydrophobicContact CE1-CE2 4.28Å; F877-Y1016 HydrophobicContact CG-CD2 4.13Å; F877-Y1016 HydrophobicContact CG-CE2 4.4Å; F877-T1017 CarbonylContact C-O 3.56Å; F877-T1017 WeakPolarHBondContact CA-O 3.15Å; F877-D1018 WeakPolarHBondContact CE1-OD1 3.47Å
878K87.1Confident88.8Confident123 Ų12362.7 Ų62.754%0.53531%0.306SS..EExtended strand (participates in β ladder)trans-90.2122.2173.8-175.2-177.9177.1-171.90108.4Y1016 T1017 A1019K878-Y1016 CarbonylContact O-C 3.56Å; K878-Y1016 VanDerWaalsContact O-CA 3.22Å; K878-Y1016 WeakPolarHBondContact O-CA 3.37Å; K878-Y1016 WeakPolarHBondContact O-CB 3.47Å; K878-T1017 PolarHBondContact N-O 2.83Å; K878-T1017 PolarHBondContact O-N 3.22Å; K878-A1019 HydrophobicContact CB-CB 4.48Å
879I91.2Very high88.5Confident13 Ų1361.5 Ų61.57%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-75127.8168.2-59-178.4000107.7Y863 S867 F870 I882 I1014Y863-I879 HydrophobicContact CE2-CG2 4.46Å; S867-I879 WeakPolarHBondContact OG-CD1 3.3Å; F870-I879 HydrophobicContact CB-CD1 4.26Å; F870-I879 HydrophobicContact CD1-CD1 3.67Å; F870-I879 HydrophobicContact CD1-CG1 3.77Å; F870-I879 HydrophobicContact CE1-CD1 4.3Å; F870-I879 HydrophobicContact CE1-CG1 3.88Å; F870-I879 HydrophobicContact CG-CD1 4.17Å; I879-I882 HydrophobicContact CD1-CD1 4.29Å; I879-I882 HydrophobicContact CG2-CD1 4.22Å; I879-I882 HydrophobicContact CG2-CG1 3.74Å; I879-I1014 HydrophobicContact CD1-CG2 4.22Å; I879-I1014 HydrophobicContact CG1-CG2 4.14Å; I879-I1014 HydrophobicContact CG2-CG2 3.82Å
880E87.6Confident88.3Confident99 Ų9958.5 Ų58.546%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-89.7-52.2175.4-57.3-171.4150.200110.2E1015 T1017E880-E1015 PolarHBondContact N-O 2.83Å; E880-T1017 WeakPolarHBondContact CG-OG1 3.18Å; E880-T1017 WeakPolarHBondContact OE1-CG2 3.46Å; E880-T1017 PolarHBondContact OE1-OG1 3.12Å
881K89.9Confident88.2Confident79 Ų7961.4 Ų61.434%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-145.5148.1-176.1-65.2170.6168.9-76.60110.7E855 E1015E855-K881 IonicContact OE1-NZ 2.66Å; E855-K881 PolarHBondContact OE1-NZ 3.12Å; E855-K881 WeakPolarHBondContact OE2-CD 3.21Å; E855-K881 IonicContact OE2-NZ 2.7Å; E855-K881 PolarHBondContact OE2-NZ 2.93Å; K881-E1015 HydrophobicContact CB-CB 4.26Å; K881-E1015 WeakPolarHBondContact CD-OE2 2.89Å; K881-E1015 PolarHBondContact N-O 3.38Å; K881-E1015 PolarHBondContact O-N 3.46Å
882I93.4Very high88Confident1 Ų160.2 Ų60.21%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-122.4121.9165.6-56.3-177.9000107.2I856 Y863 V866 I879 Y1012 V1013 I1014I856-I882 HydrophobicContact CD1-CG2 3.97Å; I856-I882 PolarHBondContact N-O 3.18Å; Y863-I882 HydrophobicContact CD1-CD1 4.47Å; Y863-I882 HydrophobicContact CD2-CB 3.9Å; Y863-I882 HydrophobicContact CD2-CD1 3.6Å; Y863-I882 HydrophobicContact CD2-CG1 3.78Å; Y863-I882 HydrophobicContact CE1-CD1 4.5Å; Y863-I882 HydrophobicContact CE2-CB 4.05Å; Y863-I882 HydrophobicContact CE2-CD1 3.64Å; Y863-I882 HydrophobicContact CE2-CG1 3.57Å; Y863-I882 HydrophobicContact CG-CD1 4.02Å; V866-I882 HydrophobicContact CB-CD1 4.11Å; V866-I882 HydrophobicContact CG1-CD1 3.93Å; V866-I882 HydrophobicContact CG1-CG2 4.28Å; I879-I882 HydrophobicContact CD1-CD1 4.29Å; I879-I882 HydrophobicContact CG2-CD1 4.22Å; I879-I882 HydrophobicContact CG2-CG1 3.74Å; I882-Y1012 HydrophobicContact CG2-CD1 4.46Å; I882-V1013 CarbonylContact C-O 3.51Å; I882-V1013 WeakPolarHBondContact CA-O 3.31Å; I882-I1014 HydrophobicContact CG1-CG1 4.3Å; I882-I1014 HydrophobicContact CG1-CG2 4.34Å; I882-I1014 HydrophobicContact CG2-CG1 4.45Å
883K91.9Very high87.9Confident47 Ų4760.2 Ų60.220%0.20429%0.287CS..EExtended strand (participates in β ladder)trans-111.4124.6179.5-62.8170.3-173.5166.80109L853 S854 E855 Y1012 V1013 E1015L853-K883 HydrophobicContact CD2-CB 4.16Å; S854-K883 CarbonylContact O-C 3.44Å; S854-K883 WeakPolarHBondContact O-CA 3.26Å; E855-K883 HydrophobicContact CB-CG 4.35Å; E855-K883 HydrophobicContact CG-CG 4.34Å; K883-Y1012 CarbonylContact O-C 3.47Å; K883-Y1012 VanDerWaalsContact O-CA 3.25Å; K883-Y1012 WeakPolarHBondContact O-CA 3.4Å; K883-V1013 HydrophobicContact CB-CB 4.49Å; K883-V1013 PolarHBondContact N-O 3.14Å; K883-V1013 PolarHBondContact O-N 3.13Å; K883-E1015 VanDerWaalsContact CE-OE2 3.24Å; K883-E1015 WeakPolarHBondContact CE-OE2 3.33Å; K883-E1015 IonicContact NZ-OE1 3.83Å; K883-E1015 PolarHBondContact NZ-OE1 3.42Å; K883-E1015 IonicContact NZ-OE2 3.96Å; K883-E1015 PolarHBondContact NZ-OE2 3.23Å
884K93.1Very high88Confident50 Ų5059.1 Ų59.122%0.21728%0.28CS..EExtended strand (participates in β ladder)trans-79.6137.4174.6-168.5168.4-179.8164.50110.1L853 S854 I856 E862 Y1012L853-K884 WeakPolarHBondContact CA-O 3.47Å; S854-K884 PolarHBondContact N-O 2.98Å; S854-K884 WeakPolarHBondContact O-CB 3.38Å; S854-K884 PolarHBondContact O-N 2.69Å; I856-K884 HydrophobicContact CD1-CB 4.03Å; I856-K884 HydrophobicContact CG1-CB 4.03Å; E862-K884 VanDerWaalsContact OE1-CE 3.27Å; E862-K884 WeakPolarHBondContact OE1-CE 3.16Å; E862-K884 IonicContact OE1-NZ 3.14Å; E862-K884 PolarHBondContact OE1-NZ 3.13Å; E862-K884 IonicContact OE2-NZ 3.35Å; E862-K884 PolarHBondContact OE2-NZ 3.37Å; K884-Y1012 HydrophobicContact CB-CD1 4.23Å; K884-Y1012 HydrophobicContact CB-CE1 4.5Å; K884-Y1012 HydrophobicContact CD-CE1 4.38Å; K884-Y1012 HydrophobicContact CG-CD1 4.17Å; K884-Y1012 HydrophobicContact CG-CE1 4.07Å
885I91.6Very high88.1Confident0 Ų061.4 Ų61.40%029%0.294CS..EExtended strand (participates in β ladder)trans-102125.5-179.3-52.2167.6000108.7L853 C921 F964 Y1009 P1010 Q1011 V1013L853-I885 HydrophobicContact CD2-CB 4.5Å; L853-I885 HydrophobicContact CD2-CG1 3.75Å; I885-C921 HydrophobicContact CG2-CB 4.06Å; I885-F964 HydrophobicContact CD1-CD1 3.76Å; I885-F964 HydrophobicContact CD1-CE1 3.55Å; I885-Y1009 PolarHBondContact O-OH 3.07Å; I885-P1010 WeakPolarHBondContact CB-O 3.32Å; I885-P1010 HydrophobicContact CD1-CB 3.75Å; I885-Q1011 PolarHBondContact N-O 2.89Å; I885-Q1011 PolarHBondContact O-NE2 3.03Å; I885-V1013 HydrophobicContact CD1-CG2 3.73Å; I885-V1013 HydrophobicContact CG1-CG2 4.01Å
886E86.3Confident88.3Confident69 Ų6960.6 Ų60.632%0.32229%0.286SS..EExtended strand (participates in β ladder)trans-122.690.6-178.6-69.1172165.100108.3Y851 K852 S854Y851-E886 WeakPolarHBondContact CA-O 3.49Å; K852-E886 HydrophobicContact CB-CB 4.19Å; K852-E886 PolarHBondContact N-O 3.43Å; K852-E886 IonicContact NZ-OE2 3.29Å; K852-E886 PolarHBondContact NZ-OE2 3.25Å; K852-E886 PolarHBondContact O-N 2.86Å; S854-E886 PolarHBondContact OG-OE2 3.07Å; S854-E886 VanDerWaalsContact OG-OE2 3.07Å
887N87.9Confident88.4Confident0 Ų056.1 Ų56.10%026%0.261CS..  trans-121.9111.3173.1-178.8-39.3000108.9K850 E889 L890 L891 C921 A922 Y1009K850-N887 PolarHBondContact O-ND2 3.45Å; N887-E889 PolarHBondContact OD1-N 3.18Å; N887-E889 VanDerWaalsContact OD1-N 3.11Å; N887-L890 HydrophobicContact CB-CB 4.32Å; N887-L890 HydrophobicContact CB-CD1 4.29Å; N887-L890 HydrophobicContact CB-CG 4.38Å; N887-L890 WeakPolarHBondContact ND2-CD1 3.43Å; N887-L890 PolarHBondContact OD1-N 2.92Å; N887-L891 WeakPolarHBondContact O-CB 3.39Å; N887-L891 PolarHBondContact O-N 3.01Å; N887-L891 VanDerWaalsContact O-N 3.14Å; N887-C921 PolarHBondContact ND2-O 2.89Å; N887-A922 PolarHBondContact ND2-O 2.68Å; N887-Y1009 PolarHBondContact N-OH 2.85Å; N887-Y1009 WeakPolarHBondContact O-CE2 3.26Å
888L85Confident88.5Confident133 Ų13358 Ų5870%0.69627%0.269SS*.Hα-helixtrans-71.3-40.3-174.7-60.5177.5000112.3L890 L891 D892L888-L890 VanDerWaalsContact C-N 3.33Å; L888-L890 PolarHBondContact O-N 2.82Å; L888-L891 PolarHBondContact O-N 3.39Å; L888-D892 PolarHBondContact O-N 3.46Å
889E86.4Confident88.3Confident100 Ų10055.9 Ų55.947%0.46727%0.269SS..Hα-helixtrans-60.4-42.2179.7-67.7-174.1-157.900112.4N887 K893N887-E889 PolarHBondContact OD1-N 3.18Å; N887-E889 VanDerWaalsContact OD1-N 3.11Å; E889-K893 WeakPolarHBondContact O-CG 3.21Å; E889-K893 PolarHBondContact O-N 3.31Å
890L86.6Confident87.7Confident6 Ų661.8 Ų61.83%0.03130%0.297CS..Hα-helixtrans-73-37.7178.7-62.9-176.5000111.3N887 L888 D892 K893 F894 N924 Y1009 P1010N887-L890 HydrophobicContact CB-CB 4.32Å; N887-L890 HydrophobicContact CB-CD1 4.29Å; N887-L890 HydrophobicContact CB-CG 4.38Å; N887-L890 WeakPolarHBondContact ND2-CD1 3.43Å; N887-L890 PolarHBondContact OD1-N 2.92Å; L888-L890 VanDerWaalsContact C-N 3.33Å; L888-L890 PolarHBondContact O-N 2.82Å; L890-D892 VanDerWaalsContact C-N 3.34Å; L890-D892 PolarHBondContact O-N 3.27Å; L890-K893 HydrophobicContact CD2-CD 4.37Å; L890-K893 PolarHBondContact O-N 2.93Å; L890-F894 WeakPolarHBondContact O-CB 3.43Å; L890-F894 PolarHBondContact O-N 3.3Å; L890-N924 HydrophobicContact CD1-CB 3.8Å; L890-N924 HydrophobicContact CD2-CB 3.83Å; L890-N924 HydrophobicContact CG-CB 4.45Å; L890-Y1009 HydrophobicContact CB-CD2 3.98Å; L890-Y1009 HydrophobicContact CB-CE2 4.07Å; L890-P1010 HydrophobicContact CD1-CG 4.35Å
891L88.8Confident87.2Confident61 Ų6159 Ų5932%0.31929%0.285SS..Hα-helixtrans-64.8-38176.9-17359.6000111.8N887 L888 T895 Y1009N887-L891 WeakPolarHBondContact O-CB 3.39Å; N887-L891 PolarHBondContact O-N 3.01Å; N887-L891 VanDerWaalsContact O-N 3.14Å; L888-L891 PolarHBondContact O-N 3.39Å; L891-T895 VanDerWaalsContact O-CB 3.23Å; L891-T895 WeakPolarHBondContact O-CB 3.34Å; L891-T895 PolarHBondContact O-N 2.82Å; L891-T895 PolarHBondContact O-OG1 2.88Å; L891-Y1009 HydrophobicContact CB-CD2 4.11Å; L891-Y1009 HydrophobicContact CB-CE2 3.66Å; L891-Y1009 HydrophobicContact CD1-CD1 4.37Å; L891-Y1009 HydrophobicContact CD1-CD2 4.24Å; L891-Y1009 HydrophobicContact CD1-CE1 4.34Å; L891-Y1009 HydrophobicContact CD1-CE2 4.2Å; L891-Y1009 HydrophobicContact CD1-CG 4.34Å; L891-Y1009 HydrophobicContact CG-CE2 4.49Å
892D86.3Confident86.5Confident73 Ų7362 Ų6239%0.3930%0.298SS..Hα-helixtrans-71.9-33.1176.5-86-19.7000113.1L888 L890 R896L888-D892 PolarHBondContact O-N 3.46Å; L890-D892 VanDerWaalsContact C-N 3.34Å; L890-D892 PolarHBondContact O-N 3.27Å; D892-R896 WeakPolarHBondContact O-CB 3.5Å; D892-R896 VanDerWaalsContact O-CG 3.3Å; D892-R896 WeakPolarHBondContact O-CG 3.42Å; D892-R896 PolarHBondContact O-N 2.74Å; D892-R896 PolarHBondContact O-NE 3.47Å
893K88.2Confident85.5Confident67 Ų6765 Ų6529%0.29131%0.312SS..Hα-helixtrans-64.9-53.9169.9-74.5167.7-174165.20110.5E889 L890 T895 R896 K897 D1006E889-K893 WeakPolarHBondContact O-CG 3.21Å; E889-K893 PolarHBondContact O-N 3.31Å; L890-K893 HydrophobicContact CD2-CD 4.37Å; L890-K893 PolarHBondContact O-N 2.93Å; K893-T895 PolarHBondContact O-N 3.45Å; K893-R896 PolarHBondContact O-N 3Å; K893-K897 PolarHBondContact O-N 3Å; K893-D1006 HydrophobicContact CB-CB 4.48Å
894F90.2Very high84.6Confident4 Ų469.4 Ų69.42%0.01833%0.333CS..Hα-helixtrans-55.3-46.6177.7-179.2-95.2000112.8L890 R896 K897 K898 E905 R967 L969 D1006 Q1007L890-F894 WeakPolarHBondContact O-CB 3.43Å; L890-F894 PolarHBondContact O-N 3.3Å; F894-R896 PolarHBondContact O-N 3.33Å; F894-K897 PolarHBondContact O-N 2.87Å; F894-K898 HydrophobicContact CE1-CD 4.34Å; F894-K898 WeakPolarHBondContact O-CB 3.49Å; F894-K898 PolarHBondContact O-N 2.88Å; F894-E905 HydrophobicContact CZ-CB 4.34Å; F894-R967 HydrophobicContact CE1-CB 4.14Å; F894-R967 HydrophobicContact CE2-CB 4.03Å; F894-R967 WeakPolarHBondContact CE2-O 3.42Å; F894-R967 HydrophobicContact CZ-CB 3.52Å; F894-L969 HydrophobicContact CD2-CD1 4.3Å; F894-L969 HydrophobicContact CD2-CG 4.24Å; F894-L969 HydrophobicContact CE1-CD2 4.39Å; F894-L969 HydrophobicContact CE2-CD1 4.13Å; F894-L969 HydrophobicContact CE2-CD2 3.98Å; F894-L969 HydrophobicContact CE2-CG 3.6Å; F894-L969 HydrophobicContact CZ-CD1 4.49Å; F894-L969 HydrophobicContact CZ-CD2 3.69Å; F894-L969 HydrophobicContact CZ-CG 3.87Å; F894-D1006 WeakPolarHBondContact CA-O 3.39Å; F894-Q1007 WeakPolarHBondContact CE2-O 3.47Å
895T87.3Confident84.3Confident48 Ų4869.9 Ų69.929%0.29434%0.336SS..Hα-helixtrans-67.1-35.9-178.8-58.40000112.2L891 K893 S899L891-T895 VanDerWaalsContact O-CB 3.23Å; L891-T895 WeakPolarHBondContact O-CB 3.34Å; L891-T895 PolarHBondContact O-N 2.82Å; L891-T895 PolarHBondContact O-OG1 2.88Å; K893-T895 PolarHBondContact O-N 3.45Å; T895-S899 WeakPolarHBondContact O-CB 3.47Å; T895-S899 PolarHBondContact O-N 3.2Å; T895-S899 VanDerWaalsContact O-N 3.13Å; T895-S899 PolarHBondContact O-OG 3.1Å
896R86.9Confident84.2Confident150 Ų15071.7 Ų71.757%0.56635%0.349SS*.Hα-helixtrans-65.1-45.8171-77.6177.8-71.1172.4-4.2111.2D892 K893 F894 K898 S899 Q900D892-R896 WeakPolarHBondContact O-CB 3.5Å; D892-R896 VanDerWaalsContact O-CG 3.3Å; D892-R896 WeakPolarHBondContact O-CG 3.42Å; D892-R896 PolarHBondContact O-N 2.74Å; D892-R896 PolarHBondContact O-NE 3.47Å; K893-R896 PolarHBondContact O-N 3Å; F894-R896 PolarHBondContact O-N 3.33Å; R896-K898 PolarHBondContact O-N 2.79Å; R896-S899 WeakPolarHBondContact O-CB 3.49Å; R896-S899 PolarHBondContact O-N 3.36Å; R896-Q900 PolarHBondContact O-N 2.79Å; R896-Q900 VanDerWaalsContact O-N 3.13Å
897K84.9Confident84.4Confident29 Ų2971.8 Ų71.813%0.12635%0.351CS..Hα-helixtrans-63.1-42.8178.6-164.671.8-176.6-172.90112.4K893 F894 S899 Q900 L901 L969 E1004 D1006 Q1007K893-K897 PolarHBondContact O-N 3Å; F894-K897 PolarHBondContact O-N 2.87Å; K897-S899 VanDerWaalsContact C-N 3.27Å; K897-S899 PolarHBondContact O-N 3.46Å; K897-Q900 WeakPolarHBondContact O-CB 3.31Å; K897-Q900 PolarHBondContact O-N 2.91Å; K897-Q900 VanDerWaalsContact O-N 3.1Å; K897-L901 HydrophobicContact CG-CD1 4.22Å; K897-L901 PolarHBondContact O-N 2.96Å; K897-L969 HydrophobicContact CB-CD1 4Å; K897-L969 HydrophobicContact CG-CD1 4.05Å; K897-E1004 VanDerWaalsContact CE-CD 3.49Å; K897-E1004 VanDerWaalsContact CE-OE1 3.32Å; K897-E1004 WeakPolarHBondContact CE-OE1 3.49Å; K897-E1004 WeakPolarHBondContact CE-OE2 3.2Å; K897-E1004 IonicContact NZ-OE1 2.86Å; K897-E1004 PolarHBondContact NZ-OE1 2.96Å; K897-E1004 IonicContact NZ-OE2 3.34Å; K897-E1004 PolarHBondContact NZ-OE2 2.9Å; K897-D1006 HydrophobicContact CB-CB 4.26Å; K897-D1006 VanDerWaalsContact CB-O 3.23Å; K897-D1006 WeakPolarHBondContact CB-O 3.27Å; K897-D1006 HydrophobicContact CD-CB 4.36Å; K897-D1006 HydrophobicContact CG-CB 4.35Å; K897-Q1007 HydrophobicContact CG-CG 4.27Å
898K87.6Confident84.7Confident65 Ų6572 Ų7228%0.28335%0.353SS..Hα-helixtrans-57.7-39.9173.7-168.7173.9-173.5-1770112.1F894 R896 Q900 K902 E905 L969F894-K898 HydrophobicContact CE1-CD 4.34Å; F894-K898 WeakPolarHBondContact O-CB 3.49Å; F894-K898 PolarHBondContact O-N 2.88Å; R896-K898 PolarHBondContact O-N 2.79Å; K898-Q900 VanDerWaalsContact C-N 3.34Å; K898-Q900 PolarHBondContact O-N 2.69Å; K898-K902 WeakPolarHBondContact O-CA 3.45Å; K898-K902 PolarHBondContact O-N 2.84Å; K898-E905 VanDerWaalsContact NZ-CD 3.3Å; K898-E905 IonicContact NZ-OE2 3.83Å; K898-E905 PolarHBondContact NZ-OE2 3.28Å; K898-L969 HydrophobicContact CB-CD1 3.78Å; K898-L969 HydrophobicContact CB-CD2 3.95Å; K898-L969 HydrophobicContact CD-CD2 4.04Å; K898-L969 HydrophobicContact CG-CD1 4.47Å; K898-L969 HydrophobicContact CG-CD2 3.75Å; K898-L969 VanDerWaalsContact N-CD1 3.35Å
899S83.1Confident85.1Confident79 Ų7965.8 Ų65.855%0.55232%0.32SS*.Hα-helixtrans-68.4-31.1177.6-56.30000113.1T895 R896 K897T895-S899 WeakPolarHBondContact O-CB 3.47Å; T895-S899 PolarHBondContact O-N 3.2Å; T895-S899 VanDerWaalsContact O-N 3.13Å; T895-S899 PolarHBondContact O-OG 3.1Å; R896-S899 WeakPolarHBondContact O-CB 3.49Å; R896-S899 PolarHBondContact O-N 3.36Å; K897-S899 VanDerWaalsContact C-N 3.27Å; K897-S899 PolarHBondContact O-N 3.46Å
900Q79.1Confident85.3Confident137 Ų13761.2 Ų61.264%0.6430%0.298SS*.Hα-helixtrans-73.3-49.4174.7-67.4171.3200111.8R896 K897 K898R896-Q900 PolarHBondContact O-N 2.79Å; R896-Q900 VanDerWaalsContact O-N 3.13Å; K897-Q900 WeakPolarHBondContact O-CB 3.31Å; K897-Q900 PolarHBondContact O-N 2.91Å; K897-Q900 VanDerWaalsContact O-N 3.1Å; K898-Q900 VanDerWaalsContact C-N 3.34Å; K898-Q900 PolarHBondContact O-N 2.69Å
901L77.1Confident85.4Confident41 Ų4161.2 Ų61.222%0.21530%0.299CS..Hα-helixtrans-73.2-28.6-177.1-64.6177.6000112.7K897 E903 L969 Q1007K897-L901 HydrophobicContact CG-CD1 4.22Å; K897-L901 PolarHBondContact O-N 2.96Å; L901-E903 HydrophobicContact CB-CB 4.29Å; L901-E903 HydrophobicContact CB-CG 4.01Å; L901-E903 PolarHBondContact O-N 3.46Å; L901-L969 HydrophobicContact CD1-CB 4.2Å; L901-L969 HydrophobicContact CD1-CD1 4.39Å; L901-Q1007 HydrophobicContact CD1-CG 4.47Å
902K74.8Confident85.4Confident141 Ų14158.3 Ų58.361%0.61328%0.284SS*.  trans61.512.7-173.9-60.9179.8179.2173.20115.1R823 K898R823-K902 PolarHBondContact NH1-O 2.89Å; R823-K902 PolarHBondContact NH2-O 2.91Å; R823-K902 VanDerWaalsContact NH2-O 3.13Å; K898-K902 WeakPolarHBondContact O-CA 3.45Å; K898-K902 PolarHBondContact O-N 2.84Å
903E72.5Confident85.3Confident65 Ų6555.7 Ų55.730%0.30427%0.271SS..PPolyproline II helixtrans-79.6162.9-178.6-69.1-61.4148.700113.5L901L901-E903 HydrophobicContact CB-CB 4.29Å; L901-E903 HydrophobicContact CB-CG 4.01Å; L901-E903 PolarHBondContact O-N 3.46Å
904E73.7Confident85.2Confident140 Ų14057.3 Ų57.365%0.65428%0.275SS*.PPolyproline II helixtrans-80.1161.1168.8-59.3-159144.700111.2
905E86.8Confident84.9Confident60 Ų6061 Ų6128%0.2831%0.306SS..PPolyproline II helixtrans-102.3135.218063.2-174.3-148.500110.7F894 K898 R967 L969F894-E905 HydrophobicContact CZ-CB 4.34Å; K898-E905 VanDerWaalsContact NZ-CD 3.3Å; K898-E905 IonicContact NZ-OE2 3.83Å; K898-E905 PolarHBondContact NZ-OE2 3.28Å; E905-R967 IonicContact OE1-CZ 3.77Å; E905-R967 IonicContact OE1-NE 2.65Å; E905-R967 IonicContact OE1-NH1 2.64Å; E905-R967 PolarHBondContact OE1-NH1 2.65Å; E905-L969 HydrophobicContact CB-CD2 4.24Å
906S88.1Confident84.8Confident38 Ų3862.3 Ų62.327%0.26631%0.307SS..EExtended strand (participates in β ladder)trans-97.8138.9170.3-650000109.9R967 V968S906-R967 CarbonylContact O-C 3.48Å; S906-R967 WeakPolarHBondContact O-CA 3.49Å; S906-V968 PolarHBondContact N-O 3.32Å; S906-V968 PolarHBondContact O-N 3Å
907L92.3Very high84.7Confident71 Ų7156 Ų5637%0.37228%0.284SS..EExtended strand (participates in β ladder)trans-85.3124.1162.8-69.1172.8000107.8V965 A966 R967L907-V965 HydrophobicContact CB-CG1 4.32Å; L907-V965 HydrophobicContact CD2-CG1 4.13Å; L907-A966 WeakPolarHBondContact CA-O 3.25Å; L907-R967 HydrophobicContact CD2-CG 3.87Å
908L93.4Very high84.7Confident5 Ų561 Ų613%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-135.6156-178.9-59.9175.2000111F943 K945 V965 A966 V968 V970 F1000L908-F943 HydrophobicContact CB-CB 3.8Å; L908-F943 HydrophobicContact CB-CD1 4.45Å; L908-F943 HydrophobicContact CB-CG 4.47Å; L908-F943 HydrophobicContact CD1-CB 3.73Å; L908-F943 HydrophobicContact CG-CB 4.42Å; L908-K945 HydrophobicContact CD2-CB 4.38Å; L908-V965 WeakPolarHBondContact O-CA 3.35Å; L908-A966 PolarHBondContact N-O 3.04Å; L908-A966 PolarHBondContact O-N 3.47Å; L908-V968 HydrophobicContact CB-CG2 4.26Å; L908-V968 HydrophobicContact CD1-CB 3.93Å; L908-V968 HydrophobicContact CD1-CG1 4.13Å; L908-V968 HydrophobicContact CD1-CG2 4.05Å; L908-V968 HydrophobicContact CG-CG2 4.44Å; L908-V970 HydrophobicContact CD1-CG1 4.06Å; L908-F1000 HydrophobicContact CD1-CB 3.91Å; L908-F1000 HydrophobicContact CD1-CD2 3.58Å; L908-F1000 HydrophobicContact CD1-CE2 4.29Å; L908-F1000 HydrophobicContact CD1-CG 3.86Å; L908-F1000 HydrophobicContact CD2-CD2 3.88Å; L908-F1000 HydrophobicContact CD2-CE2 3.92Å; L908-F1000 HydrophobicContact CG-CD2 4.44Å
909F93.4Very high84.6Confident1 Ų159.6 Ų59.60%0.00431%0.307CS..EExtended strand (participates in β ladder)trans-97.8143.5-173.8-65.7-79.4000112.7H869 F870 A944 K945 A947 M963 F964 V965H869-F909 HydrophobicContact CB-CZ 4.41Å; H869-F909 AromaticContact CD2-CE2 3.78Å; H869-F909 AromaticContact CD2-CZ 3.49Å; H869-F909 VanDerWaalsContact CD2-CZ 3.49Å; H869-F909 WeakPolarHBondContact CD2-CZ 3.36Å; H869-F909 AromaticContact CE1-CE2 3.82Å; H869-F909 AromaticContact CG-CZ 3.8Å; H869-F909 AromaticContact NE2-CE2 3.56Å; H869-F909 AromaticContact NE2-CZ 3.8Å; F870-F909 HydrophobicContact CB-CE1 4.31Å; F870-F909 HydrophobicContact CD2-CE1 4.18Å; F909-A944 PolarHBondContact N-O 3.38Å; F909-A944 PolarHBondContact O-N 3.02Å; F909-K945 WeakPolarHBondContact CD2-O 3.42Å; F909-A947 HydrophobicContact CB-CB 4.39Å; F909-A947 HydrophobicContact CD1-CB 3.64Å; F909-A947 HydrophobicContact CD2-CB 3.93Å; F909-A947 VanDerWaalsContact CD2-N 3.34Å; F909-A947 HydrophobicContact CE1-CB 3.78Å; F909-A947 HydrophobicContact CE2-CB 4.05Å; F909-A947 HydrophobicContact CG-CB 3.71Å; F909-A947 HydrophobicContact CZ-CB 3.98Å; F909-M963 HydrophobicContact CB-CG 4.48Å; F909-M963 HydrophobicContact CB-SD 3.81Å; F909-M963 HydrophobicContact CD1-CG 3.77Å; F909-M963 HydrophobicContact CD1-SD 4.16Å; F909-M963 HydrophobicContact CG-SD 4.41Å; F909-F964 WeakPolarHBondContact CA-O 3.41Å; F909-V965 HydrophobicContact CD1-CG2 3.71Å; F909-V965 HydrophobicContact CE1-CG2 3.6Å
910Y90.3Very high84.8Confident5 Ų555.9 Ų55.92%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-142.6106.8176.3-166.4-84.9000111.2F925 E931 Y942 F943 S950 F964Y910-F925 AromaticContact CD1-CD1 3.87Å; Y910-F925 HydrophobicContact CD1-CD1 3.87Å; Y910-F925 AromaticContact CD1-CE1 3.49Å; Y910-F925 HydrophobicContact CD1-CE1 3.49Å; Y910-F925 VanDerWaalsContact CD1-CE1 3.49Å; Y910-F925 HydrophobicContact CD2-CD1 4.45Å; Y910-F925 HydrophobicContact CD2-CE1 4.4Å; Y910-F925 HydrophobicContact CE1-CD1 4.01Å; Y910-F925 HydrophobicContact CE1-CE1 4.09Å; Y910-F925 HydrophobicContact CG-CD1 4.11Å; Y910-F925 AromaticContact CG-CE1 3.68Å; Y910-F925 HydrophobicContact CG-CE1 3.68Å; Y910-F925 HydrophobicContact CG-CZ 4.5Å; Y910-E931 WeakPolarHBondContact CE2-OE1 3.42Å; Y910-E931 PolarHBondContact OH-OE1 2.9Å; Y910-Y942 WeakPolarHBondContact CD2-O 3.45Å; Y910-Y942 VanDerWaalsContact CE2-O 3.31Å; Y910-Y942 WeakPolarHBondContact CE2-O 3.18Å; Y910-F943 AromaticContact CD2-CD1 3.96Å; Y910-F943 HydrophobicContact CD2-CD1 3.96Å; Y910-F943 AromaticContact CD2-CE1 3.78Å; Y910-F943 HydrophobicContact CD2-CE1 3.78Å; Y910-F943 HydrophobicContact CD2-CG 4.49Å; Y910-F943 HydrophobicContact CD2-CZ 4.18Å; Y910-F943 HydrophobicContact CG-CD1 4.39Å; Y910-F943 HydrophobicContact CG-CE1 4.06Å; Y910-S950 WeakPolarHBondContact CA-OG 3.44Å; Y910-F964 PolarHBondContact N-O 3.23Å; Y910-F964 WeakPolarHBondContact O-CB 3.25Å; Y910-F964 PolarHBondContact O-N 3.49Å
911A89.6Confident85.1Confident5 Ų549.3 Ų49.34%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-87.4127.7179.800000111.1S950 C954 I961 V962 M963A911-S950 WeakPolarHBondContact CB-O 3.42Å; A911-S950 PolarHBondContact N-OG 3.5Å; A911-C954 HydrophobicContact CB-CB 3.77Å; A911-C954 PolarHBondContact O-SG 2.8Å; A911-I961 HydrophobicContact CB-CG2 4.06Å; A911-V962 WeakPolarHBondContact CA-O 3.34Å; A911-M963 HydrophobicContact CB-CE 3.83Å; A911-M963 HydrophobicContact CB-SD 3.87Å
912T87.6Confident85.4Confident1 Ų148.1 Ų48.11%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-148.6171.9-179.6-1670000111.6I920 I961 V962 F964T912-I920 HydrophobicContact CG2-CD1 3.86Å; T912-I961 CarbonylContact O-C 3.57Å; T912-I961 WeakPolarHBondContact O-CA 3.41Å; T912-V962 HydrophobicContact CG2-CG2 4.03Å; T912-V962 PolarHBondContact N-O 3.36Å; T912-V962 PolarHBondContact O-N 2.82Å; T912-F964 HydrophobicContact CG2-CD2 3.77Å; T912-F964 HydrophobicContact CG2-CE2 3.71Å
913S85Confident85.6Confident17 Ų1744.8 Ų44.812%0.11924%0.235CC..EExtended strand (participates in β ladder)trans-70.3141.3173.4177.20000111.2A915 Y916 N960S913-A915 PolarHBondContact O-N 2.77Å; S913-A915 PolarHBondContact OG-N 2.78Å; S913-Y916 PolarHBondContact O-N 3.38Å; S913-N960 CarbonylContact C-O 3.59Å; S913-N960 WeakPolarHBondContact CA-O 3.48Å
914R85.9Confident86.2Confident102 Ų10241.8 Ų41.839%0.38522%0.221SC..G310 helixtrans-48.1-30.4171.3-174.7178.6-79.3122.6-4.1112.6Y916 V917 K959 N960 V962R914-Y916 VanDerWaalsContact C-N 3.27Å; R914-Y916 PolarHBondContact O-N 3.04Å; R914-V917 WeakPolarHBondContact O-CB 3.28Å; R914-V917 VanDerWaalsContact O-CG2 3.29Å; R914-V917 WeakPolarHBondContact O-CG2 3.46Å; R914-V917 PolarHBondContact O-N 2.7Å; R914-K959 PolarHBondContact NH1-O 3.49Å; R914-N960 PolarHBondContact N-O 2.89Å; R914-V962 HydrophobicContact CB-CG1 4.09Å; R914-V962 HydrophobicContact CG-CG1 4.4Å
915A84.6Confident86.7Confident81 Ų8135.2 Ų35.267%0.66919%0.19SC*.G310 helixtrans-61.5-27.1177.400000114.6S913S913-A915 PolarHBondContact O-N 2.77Å; S913-A915 PolarHBondContact OG-N 2.78Å
916Y83.5Confident86.2Confident76 Ų7633.8 Ų33.830%0.29818%0.184SC..G310 helixtrans-91.1-2.3-179.7-60-67.1000113.8S913 R914 E918 S919 I920 H930 Y956S913-Y916 PolarHBondContact O-N 3.38Å; R914-Y916 VanDerWaalsContact C-N 3.27Å; R914-Y916 PolarHBondContact O-N 3.04Å; Y916-E918 VanDerWaalsContact C-N 3.34Å; Y916-E918 PolarHBondContact O-N 2.86Å; Y916-S919 PolarHBondContact O-N 2.72Å; Y916-I920 WeakPolarHBondContact O-CG1 3.46Å; Y916-I920 PolarHBondContact O-N 2.74Å; Y916-H930 AromaticContact CD1-CE1 3.58Å; Y916-H930 AromaticContact CD1-ND1 3.26Å; Y916-H930 VanDerWaalsContact CD1-ND1 3.26Å; Y916-H930 WeakPolarHBondContact CD1-ND1 3.3Å; Y916-H930 AromaticContact CE1-ND1 3.82Å; Y916-H930 AromaticContact CG-ND1 3.71Å; Y916-Y956 AromaticContact CE2-CZ 3.96Å; Y916-Y956 WeakPolarHBondContact CE2-OH 3.3Å
917V85.9Confident85.4Confident16 Ų1636.6 Ų36.610%0.09719%0.189CC..Hα-helixtrans-56.1-48.7-174.3169.80000111.8L853 R914 I920 C921 V962 F964 V1013L853-V917 HydrophobicContact CD1-CG1 4.28Å; R914-V917 WeakPolarHBondContact O-CB 3.28Å; R914-V917 VanDerWaalsContact O-CG2 3.29Å; R914-V917 WeakPolarHBondContact O-CG2 3.46Å; R914-V917 PolarHBondContact O-N 2.7Å; V917-I920 PolarHBondContact O-N 3.29Å; V917-C921 WeakPolarHBondContact O-CB 3.33Å; V917-C921 PolarHBondContact O-N 3.44Å; V917-C921 PolarHBondContact O-SG 3.35Å; V917-V962 HydrophobicContact CG2-CG2 3.65Å; V917-F964 HydrophobicContact CB-CZ 4.35Å; V917-F964 HydrophobicContact CG1-CZ 4.31Å; V917-F964 HydrophobicContact CG2-CE2 4Å; V917-F964 HydrophobicContact CG2-CZ 4.17Å; V917-V1013 HydrophobicContact CG1-CG2 4.36Å; V917-V1013 HydrophobicContact CG2-CG1 4.48Å
918E85.1Confident84.1Confident136 Ų13636.8 Ų36.864%0.63620%0.201SC*.Hα-helixtrans-66.9-39.9-176.6-52.2-169.4172.300111.8Y851 Y916 A922Y851-E918 WeakPolarHBondContact OH-CA 3.33Å; Y851-E918 WeakPolarHBondContact OH-CB 3.41Å; Y851-E918 WeakPolarHBondContact OH-CG 3.39Å; Y916-E918 VanDerWaalsContact C-N 3.34Å; Y916-E918 PolarHBondContact O-N 2.86Å; E918-A922 WeakPolarHBondContact O-CB 3.32Å; E918-A922 PolarHBondContact O-N 3.21Å
919S84.8Confident82.5Confident35 Ų3541.8 Ų41.825%0.24523%0.227CC..Hα-helixtrans-61.5-49.9176.2-176.90000111.5Y916 A922 N923 H930Y916-S919 PolarHBondContact O-N 2.72Å; S919-A922 PolarHBondContact O-N 3.45Å; S919-N923 WeakPolarHBondContact O-CB 3.46Å; S919-N923 PolarHBondContact O-N 3.49Å; S919-H930 PolarHBondContact OG-CE1 3.06Å; S919-H930 VanDerWaalsContact OG-CE1 3.28Å; S919-H930 PolarHBondContact OG-NE2 3.09Å
920I86.8Confident80.8Confident0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-66.1-42-178.3-67.5166.4000110.6T912 Y916 V917 A922 N924 F925 F964 P1010T912-I920 HydrophobicContact CG2-CD1 3.86Å; Y916-I920 WeakPolarHBondContact O-CG1 3.46Å; Y916-I920 PolarHBondContact O-N 2.74Å; V917-I920 PolarHBondContact O-N 3.29Å; I920-A922 PolarHBondContact O-N 3.41Å; I920-N924 VanDerWaalsContact O-CA 3.26Å; I920-N924 WeakPolarHBondContact O-CA 3.26Å; I920-N924 PolarHBondContact O-N 2.84Å; I920-F925 HydrophobicContact CD1-CD1 4.11Å; I920-F925 HydrophobicContact CD1-CE1 4.1Å; I920-F925 HydrophobicContact CG1-CD1 4.26Å; I920-F925 HydrophobicContact CG2-CD1 3.79Å; I920-F925 HydrophobicContact CG2-CD2 4.15Å; I920-F925 HydrophobicContact CG2-CE1 3.55Å; I920-F925 HydrophobicContact CG2-CE2 3.97Å; I920-F925 HydrophobicContact CG2-CG 4.08Å; I920-F925 HydrophobicContact CG2-CZ 3.65Å; I920-F964 HydrophobicContact CB-CE1 4.13Å; I920-F964 HydrophobicContact CB-CZ 3.9Å; I920-F964 HydrophobicContact CD1-CE2 4.05Å; I920-F964 HydrophobicContact CD1-CZ 4.25Å; I920-F964 HydrophobicContact CG2-CD1 4Å; I920-F964 HydrophobicContact CG2-CE1 3.49Å; I920-F964 VanDerWaalsContact CG2-CE1 3.49Å; I920-F964 HydrophobicContact CG2-CE2 4.44Å; I920-F964 HydrophobicContact CG2-CZ 3.75Å; I920-P1010 HydrophobicContact CG2-CB 4.17Å; I920-P1010 HydrophobicContact CG2-CG 4.45Å
921C86.2Confident79.2Confident0 Ų043.8 Ų43.80%024%0.237CC..Hα-helixtrans-69.3-31.7178.8-62.80000112.7Y851 I885 N887 V917Y851-C921 WeakPolarHBondContact CB-O 3.04Å; Y851-C921 HydrophobicContact CD1-CB 4.09Å; Y851-C921 HydrophobicContact CD2-CB 3.34Å; Y851-C921 HydrophobicContact CE1-CB 4.24Å; Y851-C921 HydrophobicContact CE2-CB 3.5Å; Y851-C921 HydrophobicContact CG-CB 3.66Å; I885-C921 HydrophobicContact CG2-CB 4.06Å; N887-C921 PolarHBondContact ND2-O 2.89Å; V917-C921 WeakPolarHBondContact O-CB 3.33Å; V917-C921 PolarHBondContact O-N 3.44Å; V917-C921 PolarHBondContact O-SG 3.35Å
922A82.8Confident77.3Confident15 Ų1548.5 Ų48.512%0.12427%0.265CS..Hα-helixtrans-82.2-42177.900000113.9K850 Y851 N887 E918 S919 I920K850-A922 HydrophobicContact CB-CB 4.44Å; K850-A922 HydrophobicContact CD-CB 4.44Å; K850-A922 WeakPolarHBondContact CD-O 3.4Å; Y851-A922 HydrophobicContact CD1-CB 3.68Å; Y851-A922 HydrophobicContact CE1-CB 3.87Å; N887-A922 PolarHBondContact ND2-O 2.68Å; E918-A922 WeakPolarHBondContact O-CB 3.32Å; E918-A922 PolarHBondContact O-N 3.21Å; S919-A922 PolarHBondContact O-N 3.45Å; I920-A922 PolarHBondContact O-N 3.41Å
923N79.6Confident75.8Confident72 Ų7251.2 Ų51.239%0.38528%0.278SS..Hα-helixtrans-123.2-2.1-163.3-55.8-56000114.7K850 S919K850-N923 PolarHBondContact NZ-OD1 2.63Å; S919-N923 WeakPolarHBondContact O-CB 3.46Å; S919-N923 PolarHBondContact O-N 3.49Å
924N85.7Confident74.5Confident1 Ų157.2 Ų57.21%0.00530%0.304CS..  trans76.1179.9-173.7-144.2-17.4000113.9L890 I920 D926 K1005 I1008 P1010L890-N924 HydrophobicContact CD1-CB 3.8Å; L890-N924 HydrophobicContact CD2-CB 3.83Å; L890-N924 HydrophobicContact CG-CB 4.45Å; I920-N924 VanDerWaalsContact O-CA 3.26Å; I920-N924 WeakPolarHBondContact O-CA 3.26Å; I920-N924 PolarHBondContact O-N 2.84Å; N924-D926 PolarHBondContact O-N 3.47Å; N924-K1005 PolarHBondContact ND2-O 3.3Å; N924-I1008 PolarHBondContact ND2-O 3.38Å; N924-P1010 WeakPolarHBondContact OD1-CD 3.47Å
925F84.3Confident73.5Confident2 Ų254.8 Ų54.81%0.00930%0.301CS..  trans-77.5104.6-177.2-62.6-92.2000112.7Y910 I920 S941 F943 F964 A966 I1008 P1010Y910-F925 AromaticContact CD1-CD1 3.87Å; Y910-F925 HydrophobicContact CD1-CD1 3.87Å; Y910-F925 AromaticContact CD1-CE1 3.49Å; Y910-F925 HydrophobicContact CD1-CE1 3.49Å; Y910-F925 VanDerWaalsContact CD1-CE1 3.49Å; Y910-F925 HydrophobicContact CD2-CD1 4.45Å; Y910-F925 HydrophobicContact CD2-CE1 4.4Å; Y910-F925 HydrophobicContact CE1-CD1 4.01Å; Y910-F925 HydrophobicContact CE1-CE1 4.09Å; Y910-F925 HydrophobicContact CG-CD1 4.11Å; Y910-F925 AromaticContact CG-CE1 3.68Å; Y910-F925 HydrophobicContact CG-CE1 3.68Å; Y910-F925 HydrophobicContact CG-CZ 4.5Å; I920-F925 HydrophobicContact CD1-CD1 4.11Å; I920-F925 HydrophobicContact CD1-CE1 4.1Å; I920-F925 HydrophobicContact CG1-CD1 4.26Å; I920-F925 HydrophobicContact CG2-CD1 3.79Å; I920-F925 HydrophobicContact CG2-CD2 4.15Å; I920-F925 HydrophobicContact CG2-CE1 3.55Å; I920-F925 HydrophobicContact CG2-CE2 3.97Å; I920-F925 HydrophobicContact CG2-CG 4.08Å; I920-F925 HydrophobicContact CG2-CZ 3.65Å; F925-S941 PolarHBondContact O-OG 2.92Å; F925-F943 HydrophobicContact CB-CZ 4.36Å; F925-F943 HydrophobicContact CD1-CE1 4.46Å; F925-F943 HydrophobicContact CD1-CZ 4.23Å; F925-F943 HydrophobicContact CD2-CE1 4.26Å; F925-F943 AromaticContact CD2-CZ 3.81Å; F925-F943 HydrophobicContact CD2-CZ 3.81Å; F925-F943 HydrophobicContact CE1-CE1 4.26Å; F925-F943 HydrophobicContact CE1-CZ 4.46Å; F925-F943 HydrophobicContact CE2-CE1 4.02Å; F925-F943 HydrophobicContact CE2-CZ 4.04Å; F925-F943 HydrophobicContact CG-CE1 4.46Å; F925-F943 AromaticContact CG-CZ 3.9Å; F925-F943 HydrophobicContact CG-CZ 3.9Å; F925-F943 HydrophobicContact CZ-CE1 4.03Å; F925-F943 HydrophobicContact CZ-CZ 4.37Å; F925-F964 HydrophobicContact CE1-CB 4.27Å; F925-F964 HydrophobicContact CE1-CD1 4.41Å; F925-F964 HydrophobicContact CE1-CG 4.22Å; F925-F964 HydrophobicContact CZ-CB 3.95Å; F925-F964 AromaticContact CZ-CD1 3.91Å; F925-F964 HydrophobicContact CZ-CD1 3.91Å; F925-F964 HydrophobicContact CZ-CG 4.03Å; F925-A966 HydrophobicContact CE2-CB 3.93Å; F925-A966 HydrophobicContact CZ-CB 4.25Å; F925-I1008 HydrophobicContact CB-CD1 4.31Å; F925-I1008 HydrophobicContact CD2-CB 4.44Å; F925-I1008 HydrophobicContact CD2-CG2 3.45Å; F925-I1008 VanDerWaalsContact CD2-CG2 3.45Å; F925-I1008 HydrophobicContact CE2-CG2 3.69Å; F925-P1010 HydrophobicContact CE2-CB 3.66Å; F925-P1010 HydrophobicContact CE2-CG 4.29Å; F925-P1010 HydrophobicContact CZ-CB 4.04Å
926D76.4Confident73.1Confident30 Ų3056 Ų5616%0.1629%0.29CS..  trans-93.1101.7172.2-85.145.7000111.6N924 A928 L929 H930 K1005N924-D926 PolarHBondContact O-N 3.47Å; D926-A928 PolarHBondContact O-N 2.78Å; D926-A928 VanDerWaalsContact O-N 3.12Å; D926-L929 HydrophobicContact CB-CB 3.94Å; D926-L929 HydrophobicContact CB-CD1 3.94Å; D926-L929 HydrophobicContact CB-CG 4.09Å; D926-L929 PolarHBondContact O-N 3Å; D926-H930 WeakPolarHBondContact O-CB 3.5Å; D926-H930 PolarHBondContact O-N 3.37Å; D926-K1005 WeakPolarHBondContact OD1-CE 3.27Å; D926-K1005 IonicContact OD1-NZ 2.66Å; D926-K1005 PolarHBondContact OD1-NZ 3.1Å; D926-K1005 IonicContact OD2-NZ 2.66Å; D926-K1005 PolarHBondContact OD2-NZ 3.4Å
927W71.1Confident72.9Confident97 Ų9755.4 Ų55.437%0.36729%0.288SS..Hα-helixtrans-54.5-32.6176.570.5-97.3000113L929 E931 K939W927-L929 VanDerWaalsContact C-N 3.27Å; W927-L929 PolarHBondContact O-N 2.71Å; W927-E931 PolarHBondContact O-N 3.09Å; W927-K939 HydrophobicContact CH2-CB 4.14Å; W927-K939 HydrophobicContact CH2-CD 4.49Å; W927-K939 HydrophobicContact CZ2-CB 4.38Å; W927-K939 HydrophobicContact CZ3-CB 4.28Å
928A65.2Low72.7Confident76 Ų7654.6 Ų54.663%0.62828%0.284SS*.Hα-helixtrans-73.4-10.9177.400000114.7D926D926-A928 PolarHBondContact O-N 2.78Å; D926-A928 VanDerWaalsContact O-N 3.12Å
929L59.8Low72.6Confident110 Ų11051.9 Ų51.958%0.57627%0.27SS*.Hα-helixtrans-118.6-18.4179.8-67176.3000113.7D926 W927D926-L929 HydrophobicContact CB-CB 3.94Å; D926-L929 HydrophobicContact CB-CD1 3.94Å; D926-L929 HydrophobicContact CB-CG 4.09Å; D926-L929 PolarHBondContact O-N 3Å; W927-L929 VanDerWaalsContact C-N 3.27Å; W927-L929 PolarHBondContact O-N 2.71Å
930H57.3Low72.6Confident10 Ų1050.3 Ų50.35%0.04626%0.259CS..Hα-helixtrans-123.8-4.6-165.8-61.7-29.7000115Y916 S919 D926Y916-H930 AromaticContact CD1-CE1 3.58Å; Y916-H930 AromaticContact CD1-ND1 3.26Å; Y916-H930 VanDerWaalsContact CD1-ND1 3.26Å; Y916-H930 WeakPolarHBondContact CD1-ND1 3.3Å; Y916-H930 AromaticContact CE1-ND1 3.82Å; Y916-H930 AromaticContact CG-ND1 3.71Å; S919-H930 PolarHBondContact OG-CE1 3.06Å; S919-H930 VanDerWaalsContact OG-CE1 3.28Å; S919-H930 PolarHBondContact OG-NE2 3.09Å; D926-H930 WeakPolarHBondContact O-CB 3.5Å; D926-H930 PolarHBondContact O-N 3.37Å
931E55.9Low72.7Confident37 Ų3750.5 Ų50.517%0.17326%0.26CS..  trans-127126.6-168.6-150.6147.3-116.200114Y910 W927 H933 S941 Y942Y910-E931 WeakPolarHBondContact CE2-OE1 3.42Å; Y910-E931 PolarHBondContact OH-OE1 2.9Å; W927-E931 PolarHBondContact O-N 3.09Å; E931-H933 HydrophobicContact CG-CB 4.26Å; E931-H933 IonicContact OE1-CD2 2.96Å; E931-S941 WeakPolarHBondContact OE2-CA 3.42Å; E931-Y942 PolarHBondContact OE1-N 2.9Å; E931-Y942 WeakPolarHBondContact OE2-CD2 3.42Å; E931-Y942 PolarHBondContact OE2-N 3.26Å
932T50.5Low72.8Confident105 Ų10551.6 Ų51.664%0.64426%0.264SS*.  trans-118.315.3-178.643.70000112.2
933H55.8Low73.2Confident58 Ų5851 Ų5127%0.26926%0.259SS..SBendtrans-80.5150.2-177-60.4-38.3000112.7E931 T935 N953E931-H933 HydrophobicContact CG-CB 4.26Å; E931-H933 IonicContact OE1-CD2 2.96Å; H933-T935 PolarHBondContact O-N 2.93Å; H933-T935 VanDerWaalsContact O-N 3.16Å; H933-N953 PolarHBondContact CE1-O 2.93Å
934E57Low73.8Confident143 Ų14347.6 Ų47.667%0.66824%0.241SC*.  trans-60.1116.5166.6-63.9-179.6130.300109.3K936E934-K936 HydrophobicContact CB-CD 4.46Å; E934-K936 HydrophobicContact CB-CG 4.36Å; E934-K936 PolarHBondContact O-N 3.46Å; E934-K936 WeakPolarHBondContact OE2-CE 3.07Å; E934-K936 IonicContact OE2-NZ 2.79Å; E934-K936 PolarHBondContact OE2-NZ 3.47Å
935T65.1Low74Confident51 Ų5151.5 Ų51.531%0.31326%0.258SS..  trans-75.160.4-171.844.80000113.2H933 Y937 G938 K939 Y942 V978H933-T935 PolarHBondContact O-N 2.93Å; H933-T935 VanDerWaalsContact O-N 3.16Å; T935-Y937 VanDerWaalsContact C-N 3.3Å; T935-Y937 PolarHBondContact O-N 3.4Å; T935-G938 WeakPolarHBondContact CB-O 3.5Å; T935-K939 HydrophobicContact CG2-CG 4.39Å; T935-Y942 VanDerWaalsContact CA-OH 3.3Å; T935-Y942 WeakPolarHBondContact CA-OH 3.45Å; T935-V978 WeakPolarHBondContact O-CA 3.47Å
936K75.5Confident74.3Confident105 Ų10554.7 Ų54.746%0.45728%0.275SS..THydrogen-bonded Turntrans-60.3-33.4-172.9-74.7162.7-178.6158.60114.2E934 Y942 V978E934-K936 HydrophobicContact CB-CD 4.46Å; E934-K936 HydrophobicContact CB-CG 4.36Å; E934-K936 PolarHBondContact O-N 3.46Å; E934-K936 WeakPolarHBondContact OE2-CE 3.07Å; E934-K936 IonicContact OE2-NZ 2.79Å; E934-K936 PolarHBondContact OE2-NZ 3.47Å; K936-Y942 PolarHBondContact N-OH 2.78Å; K936-V978 WeakPolarHBondContact O-CG2 3.46Å; K936-V978 PolarHBondContact O-N 2.82Å
937Y79.9Confident74.9Confident64 Ų6453.2 Ų53.225%0.25127%0.267SS..THydrogen-bonded Turntrans-121.39.5-169.9-53.4-58.8000113.3T935 Y942 G976 N977 D992T935-Y937 VanDerWaalsContact C-N 3.3Å; T935-Y937 PolarHBondContact O-N 3.4Å; Y937-Y942 HydrophobicContact CD2-CE1 4.03Å; Y937-Y942 PolarHBondContact N-OH 3.14Å; Y937-G976 VanDerWaalsContact O-CA 3.23Å; Y937-G976 WeakPolarHBondContact O-CA 3.48Å; Y937-N977 CarbonylContact C-O 3.52Å; Y937-N977 PolarHBondContact O-N 3.29Å; Y937-D992 HydrophobicContact CD2-CB 4.32Å; Y937-D992 HydrophobicContact CE1-CB 4.32Å; Y937-D992 HydrophobicContact CE2-CB 3.81Å
938G82.9Confident75.7Confident0 Ų050.8 Ų50.80%026%0.261CS..  trans132.7172.8177.700000113.8T935 Y942 N977 Y980T935-G938 WeakPolarHBondContact CB-O 3.5Å; G938-Y942 PolarHBondContact N-OH 3.1Å; G938-Y942 VanDerWaalsContact N-OH 3.13Å; G938-Y942 WeakPolarHBondContact O-CE2 3.47Å; G938-Y942 PolarHBondContact O-OH 2.66Å; G938-N977 VanDerWaalsContact CA-O 3.29Å; G938-N977 WeakPolarHBondContact CA-O 3.45Å; G938-N977 PolarHBondContact N-O 2.74Å; G938-Y980 CarbonylContact C-O 3.35Å; G938-Y980 WeakPolarHBondContact CA-O 3.33Å
939K82.9Confident76.8Confident79 Ų7951.6 Ų51.634%0.34325%0.248SC..SBendtrans-10079.4175.9-59.1-172.8-172.7174.20110.9W927 T935 Y980 M981 F1003W927-K939 HydrophobicContact CH2-CB 4.14Å; W927-K939 HydrophobicContact CH2-CD 4.49Å; W927-K939 HydrophobicContact CZ2-CB 4.38Å; W927-K939 HydrophobicContact CZ3-CB 4.28Å; T935-K939 HydrophobicContact CG2-CG 4.39Å; K939-Y980 PolarHBondContact N-O 2.92Å; K939-M981 HydrophobicContact CB-CG 4.44Å; K939-M981 HydrophobicContact CD-CG 4.1Å; K939-M981 HydrophobicContact CD-SD 4.43Å; K939-F1003 WeakPolarHBondContact O-CD1 3.47Å
940G84.5Confident78Confident1 Ų147 Ų471%0.0123%0.225CC..SBendtrans-156.9177174.300000108.8Y942 I1002G940-Y942 WeakPolarHBondContact O-CD2 3.35Å; G940-Y942 VanDerWaalsContact O-CE2 3.22Å; G940-Y942 WeakPolarHBondContact O-CE2 3.35Å; G940-I1002 CarbonylContact C-O 3.6Å; G940-I1002 WeakPolarHBondContact CA-O 3.43Å
941S87.4Confident79.4Confident4 Ų448 Ų483%0.02823%0.23CC..EExtended strand (participates in β ladder)trans-73.3131.7-174.8-51.90000111.9F925 E931 V1001 I1002F925-S941 PolarHBondContact O-OG 2.92Å; E931-S941 WeakPolarHBondContact OE2-CA 3.42Å; S941-V1001 WeakPolarHBondContact O-CA 3.4Å; S941-I1002 PolarHBondContact N-O 2.85Å; S941-I1002 PolarHBondContact O-N 2.83Å
942Y88.4Confident80.8Confident24 Ų2453.8 Ų53.89%0.09426%0.255CS..EExtended strand (participates in β ladder)trans-95106.7-172.9-77.9-116.3000113.5Y910 E931 T935 K936 Y937 G938 G940 V999 V1001Y910-Y942 WeakPolarHBondContact CD2-O 3.45Å; Y910-Y942 VanDerWaalsContact CE2-O 3.31Å; Y910-Y942 WeakPolarHBondContact CE2-O 3.18Å; E931-Y942 PolarHBondContact OE1-N 2.9Å; E931-Y942 WeakPolarHBondContact OE2-CD2 3.42Å; E931-Y942 PolarHBondContact OE2-N 3.26Å; T935-Y942 VanDerWaalsContact CA-OH 3.3Å; T935-Y942 WeakPolarHBondContact CA-OH 3.45Å; K936-Y942 PolarHBondContact N-OH 2.78Å; Y937-Y942 HydrophobicContact CD2-CE1 4.03Å; Y937-Y942 PolarHBondContact N-OH 3.14Å; G938-Y942 PolarHBondContact N-OH 3.1Å; G938-Y942 VanDerWaalsContact N-OH 3.13Å; G938-Y942 WeakPolarHBondContact O-CE2 3.47Å; G938-Y942 PolarHBondContact O-OH 2.66Å; G940-Y942 WeakPolarHBondContact O-CD2 3.35Å; G940-Y942 VanDerWaalsContact O-CE2 3.22Å; G940-Y942 WeakPolarHBondContact O-CE2 3.35Å; Y942-V999 HydrophobicContact CD1-CG1 3.87Å; Y942-V1001 HydrophobicContact CD1-CG2 3.76Å; Y942-V1001 HydrophobicContact CD2-CG1 4.42Å; Y942-V1001 HydrophobicContact CD2-CG2 4.13Å; Y942-V1001 HydrophobicContact CE1-CG2 3.53Å; Y942-V1001 HydrophobicContact CE2-CG1 4.06Å; Y942-V1001 HydrophobicContact CE2-CG2 3.89Å; Y942-V1001 HydrophobicContact CG-CG2 4.04Å
943F91.3Very high82Confident1 Ų152.1 Ų52.10%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-100.2139.7176.6-66.6-83.5000112.5L908 Y910 F925 A966 V968 V999 F1000 I1002 I1008L908-F943 HydrophobicContact CB-CB 3.8Å; L908-F943 HydrophobicContact CB-CD1 4.45Å; L908-F943 HydrophobicContact CB-CG 4.47Å; L908-F943 HydrophobicContact CD1-CB 3.73Å; L908-F943 HydrophobicContact CG-CB 4.42Å; Y910-F943 AromaticContact CD2-CD1 3.96Å; Y910-F943 HydrophobicContact CD2-CD1 3.96Å; Y910-F943 AromaticContact CD2-CE1 3.78Å; Y910-F943 HydrophobicContact CD2-CE1 3.78Å; Y910-F943 HydrophobicContact CD2-CG 4.49Å; Y910-F943 HydrophobicContact CD2-CZ 4.18Å; Y910-F943 HydrophobicContact CG-CD1 4.39Å; Y910-F943 HydrophobicContact CG-CE1 4.06Å; F925-F943 HydrophobicContact CB-CZ 4.36Å; F925-F943 HydrophobicContact CD1-CE1 4.46Å; F925-F943 HydrophobicContact CD1-CZ 4.23Å; F925-F943 HydrophobicContact CD2-CE1 4.26Å; F925-F943 AromaticContact CD2-CZ 3.81Å; F925-F943 HydrophobicContact CD2-CZ 3.81Å; F925-F943 HydrophobicContact CE1-CE1 4.26Å; F925-F943 HydrophobicContact CE1-CZ 4.46Å; F925-F943 HydrophobicContact CE2-CE1 4.02Å; F925-F943 HydrophobicContact CE2-CZ 4.04Å; F925-F943 HydrophobicContact CG-CE1 4.46Å; F925-F943 AromaticContact CG-CZ 3.9Å; F925-F943 HydrophobicContact CG-CZ 3.9Å; F925-F943 HydrophobicContact CZ-CE1 4.03Å; F925-F943 HydrophobicContact CZ-CZ 4.37Å; F943-A966 HydrophobicContact CD1-CB 4.26Å; F943-A966 HydrophobicContact CE1-CB 3.78Å; F943-V968 HydrophobicContact CD1-CG2 4.11Å; F943-V968 HydrophobicContact CD2-CG2 4.3Å; F943-V968 HydrophobicContact CE1-CG2 4.42Å; F943-V968 HydrophobicContact CG-CG2 4.07Å; F943-V999 CarbonylContact O-C 3.55Å; F943-V999 WeakPolarHBondContact O-CA 3.29Å; F943-F1000 PolarHBondContact N-O 3.16Å; F943-F1000 PolarHBondContact O-N 2.96Å; F943-I1002 HydrophobicContact CD2-CB 4.35Å; F943-I1002 HydrophobicContact CD2-CG1 3.75Å; F943-I1002 HydrophobicContact CE2-CB 4.29Å; F943-I1002 HydrophobicContact CE2-CG1 4.13Å; F943-I1008 HydrophobicContact CE1-CG2 4.23Å; F943-I1008 HydrophobicContact CE2-CD1 3.64Å; F943-I1008 HydrophobicContact CE2-CG1 4.03Å; F943-I1008 HydrophobicContact CE2-CG2 4.24Å; F943-I1008 HydrophobicContact CZ-CD1 3.9Å; F943-I1008 HydrophobicContact CZ-CG1 4.26Å; F943-I1008 HydrophobicContact CZ-CG2 3.65Å
944A92Very high83.1Confident2 Ų250 Ų502%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-105.6141.918000000112.3F909 Y949F909-A944 PolarHBondContact N-O 3.38Å; F909-A944 PolarHBondContact O-N 3.02Å; A944-Y949 HydrophobicContact CB-CD1 3.87Å; A944-Y949 HydrophobicContact CB-CG 4.49Å
945K90.7Very high83.8Confident82 Ų8247.1 Ų47.136%0.35723%0.227SC..SBendtrans-69.2-37.3170.5-179.1174.9171.2-176.60112.3L908 F909 N996 P997 S998 F1000L908-K945 HydrophobicContact CD2-CB 4.38Å; F909-K945 WeakPolarHBondContact CD2-O 3.42Å; K945-N996 PolarHBondContact NZ-OD1 3.21Å; K945-P997 WeakPolarHBondContact CD-O 3.26Å; K945-S998 WeakPolarHBondContact CB-O 3.39Å; K945-S998 PolarHBondContact N-O 2.88Å; K945-F1000 HydrophobicContact CB-CE2 4.47Å
946D89.9Confident84.4Confident69 Ų6947.6 Ų47.637%0.36922%0.223SC..SBendtrans-110.8127.1178.9-68-59.1000111.4I948 Y949 S950D946-I948 HydrophobicContact CB-CG2 4.16Å; D946-I948 PolarHBondContact O-N 3.04Å; D946-Y949 WeakPolarHBondContact O-CB 3.43Å; D946-Y949 PolarHBondContact O-N 2.99Å; D946-S950 PolarHBondContact O-N 3.26Å
947A89.1Confident84.2Confident0 Ų048.4 Ų48.40%023%0.233CC..Hα-helixtrans-55.1-35.7178.300000113.1F870 S873 M874 F909 Y949 S950 H951 M963F870-A947 HydrophobicContact CD2-CB 3.73Å; F870-A947 HydrophobicContact CE2-CB 4.07Å; S873-A947 PolarHBondContact OG-N 3.27Å; M874-A947 HydrophobicContact CG-CB 3.57Å; F909-A947 HydrophobicContact CB-CB 4.39Å; F909-A947 HydrophobicContact CD1-CB 3.64Å; F909-A947 HydrophobicContact CD2-CB 3.93Å; F909-A947 VanDerWaalsContact CD2-N 3.34Å; F909-A947 HydrophobicContact CE1-CB 3.78Å; F909-A947 HydrophobicContact CE2-CB 4.05Å; F909-A947 HydrophobicContact CG-CB 3.71Å; F909-A947 HydrophobicContact CZ-CB 3.98Å; A947-Y949 VanDerWaalsContact C-N 3.27Å; A947-Y949 PolarHBondContact O-N 3.02Å; A947-S950 PolarHBondContact O-N 3.47Å; A947-H951 WeakPolarHBondContact O-CB 3.22Å; A947-H951 PolarHBondContact O-N 2.93Å; A947-M963 HydrophobicContact CB-CE 4.17Å; A947-M963 VanDerWaalsContact O-CE 3.24Å; A947-M963 WeakPolarHBondContact O-CE 3.34Å
948I89.1Confident83.7Confident46 Ų4647.8 Ų47.824%0.23624%0.241CC..Hα-helixtrans-62.9-30.4176.2-167.160.9000113.4S873 M874 F877 D946 K952S873-I948 PolarHBondContact OG-N 3.03Å; M874-I948 VanDerWaalsContact SD-CA 3.54Å; M874-I948 HydrophobicContact SD-CB 3.89Å; M874-I948 HydrophobicContact SD-CD1 3.49Å; M874-I948 WeakPolarHBondContact SD-CD1 3.46Å; M874-I948 HydrophobicContact SD-CG1 4.27Å; F877-I948 HydrophobicContact CE2-CD1 4.25Å; D946-I948 HydrophobicContact CB-CG2 4.16Å; D946-I948 PolarHBondContact O-N 3.04Å; I948-K952 HydrophobicContact CD1-CD 4.48Å; I948-K952 HydrophobicContact CD1-CG 4.36Å; I948-K952 HydrophobicContact CG1-CD 4.14Å; I948-K952 HydrophobicContact CG1-CG 4.44Å; I948-K952 WeakPolarHBondContact O-CB 3.39Å; I948-K952 VanDerWaalsContact O-CG 3.24Å; I948-K952 WeakPolarHBondContact O-CG 3.23Å; I948-K952 PolarHBondContact O-N 3.33Å
949Y87.4Confident83.2Confident92 Ų9256.3 Ų56.336%0.36128%0.278SS..Hα-helixtrans-71.1-44.6176.1-176.9-84.3000110.3A944 D946 A947 K952 N953 V999A944-Y949 HydrophobicContact CB-CD1 3.87Å; A944-Y949 HydrophobicContact CB-CG 4.49Å; D946-Y949 WeakPolarHBondContact O-CB 3.43Å; D946-Y949 PolarHBondContact O-N 2.99Å; A947-Y949 VanDerWaalsContact C-N 3.27Å; A947-Y949 PolarHBondContact O-N 3.02Å; Y949-K952 PolarHBondContact O-N 2.9Å; Y949-N953 WeakPolarHBondContact CD1-ND2 3.49Å; Y949-N953 VanDerWaalsContact CE1-ND2 3.26Å; Y949-N953 WeakPolarHBondContact CE1-ND2 3.33Å; Y949-N953 PolarHBondContact O-N 3.45Å; Y949-N953 PolarHBondContact O-ND2 3.31Å; Y949-V999 HydrophobicContact CD1-CG2 4.1Å; Y949-V999 HydrophobicContact CE1-CG2 3.43Å; Y949-V999 VanDerWaalsContact CE1-CG2 3.43Å; Y949-V999 HydrophobicContact CE2-CG2 4.21Å; Y949-V999 VanDerWaalsContact CZ-CG2 3.49Å
950S86.4Confident83Confident13 Ų1355.9 Ų55.99%0.09128%0.28CS..Hα-helixtrans-64.3-45.3177.3-148.80000111.3Y910 A911 D946 A947 K952 N953 C954Y910-S950 WeakPolarHBondContact CA-OG 3.44Å; A911-S950 WeakPolarHBondContact CB-O 3.42Å; A911-S950 PolarHBondContact N-OG 3.5Å; D946-S950 PolarHBondContact O-N 3.26Å; A947-S950 PolarHBondContact O-N 3.47Å; S950-K952 PolarHBondContact O-N 3.44Å; S950-N953 PolarHBondContact O-N 2.91Å; S950-C954 PolarHBondContact O-N 2.92Å; S950-C954 VanDerWaalsContact O-N 3.16Å
951H86.2Confident83.2Confident33 Ų3356.2 Ų56.215%0.15328%0.281CS..Hα-helixtrans-56.8-48.9175.7171.783.3000112.3M874 F877 A947 N953 C954 M963 Y1016M874-H951 HydrophobicContact CE-CB 3.75Å; M874-H951 HydrophobicContact SD-CB 4.07Å; F877-H951 AromaticContact CE1-CE1 3.8Å; F877-H951 AromaticContact CE1-NE2 3.91Å; F877-H951 AromaticContact CZ-CD2 3.99Å; F877-H951 AromaticContact CZ-CE1 3.8Å; F877-H951 AromaticContact CZ-NE2 3.46Å; F877-H951 WeakPolarHBondContact CZ-NE2 3.35Å; A947-H951 WeakPolarHBondContact O-CB 3.22Å; A947-H951 PolarHBondContact O-N 2.93Å; H951-N953 VanDerWaalsContact C-N 3.3Å; H951-N953 PolarHBondContact O-N 3.49Å; H951-C954 WeakPolarHBondContact O-CB 3.42Å; H951-C954 PolarHBondContact O-N 3.22Å; H951-M963 HydrophobicContact CB-CE 3.93Å; H951-Y1016 AromaticContact ND1-CE2 3.71Å; H951-Y1016 AromaticContact ND1-CZ 3.75Å; H951-Y1016 PolarHBondContact ND1-OH 2.98Å
952K83.8Confident83.4Confident158 Ų15856 Ų5669%0.68728%0.28SS*.Hα-helixtrans-65.8-25.8-177.9-78.9176.6175.1179.60114.9I948 Y949 S950I948-K952 HydrophobicContact CD1-CD 4.48Å; I948-K952 HydrophobicContact CD1-CG 4.36Å; I948-K952 HydrophobicContact CG1-CD 4.14Å; I948-K952 HydrophobicContact CG1-CG 4.44Å; I948-K952 WeakPolarHBondContact O-CB 3.39Å; I948-K952 VanDerWaalsContact O-CG 3.24Å; I948-K952 WeakPolarHBondContact O-CG 3.23Å; I948-K952 PolarHBondContact O-N 3.33Å; Y949-K952 PolarHBondContact O-N 2.9Å; S950-K952 PolarHBondContact O-N 3.44Å
953N77.5Confident83.6Confident70 Ų7054.9 Ų54.937%0.37428%0.275SS..Hα-helixtrans-92.1-12.1178.2-72-77.2000112.7H933 Y949 S950 H951H933-N953 PolarHBondContact CE1-O 2.93Å; Y949-N953 WeakPolarHBondContact CD1-ND2 3.49Å; Y949-N953 VanDerWaalsContact CE1-ND2 3.26Å; Y949-N953 WeakPolarHBondContact CE1-ND2 3.33Å; Y949-N953 PolarHBondContact O-N 3.45Å; Y949-N953 PolarHBondContact O-ND2 3.31Å; S950-N953 PolarHBondContact O-N 2.91Å; H951-N953 VanDerWaalsContact C-N 3.3Å; H951-N953 PolarHBondContact O-N 3.49Å
954C77.8Confident83.7Confident14 Ų1454.9 Ų54.910%0.09528%0.275CS..  trans-70.6123-178.3-156.50000110.7A911 S950 H951 Y956 I961A911-C954 HydrophobicContact CB-CB 3.77Å; A911-C954 PolarHBondContact O-SG 2.8Å; S950-C954 PolarHBondContact O-N 2.92Å; S950-C954 VanDerWaalsContact O-N 3.16Å; H951-C954 WeakPolarHBondContact O-CB 3.42Å; H951-C954 PolarHBondContact O-N 3.22Å; C954-Y956 VanDerWaalsContact C-N 3.31Å; C954-Y956 PolarHBondContact O-N 2.82Å; C954-I961 HydrophobicContact CB-CD1 4.1Å; C954-I961 HydrophobicContact CB-CG1 4.49Å
955P72Confident83.8Confident81 Ų8154.8 Ų54.853%0.52628%0.275SS..  trans-86.67.2-171.435.7-37.9000114.5
956Y77.5Confident83.9Confident61 Ų6150.9 Ų50.924%0.23926%0.258CS..SBendtrans-97.4155.8-174.7-54.6-66.1000112.1Y916 C954 A958 I961Y916-Y956 AromaticContact CE2-CZ 3.96Å; Y916-Y956 WeakPolarHBondContact CE2-OH 3.3Å; C954-Y956 VanDerWaalsContact C-N 3.31Å; C954-Y956 PolarHBondContact O-N 2.82Å; Y956-A958 PolarHBondContact O-N 3.23Å; Y956-I961 WeakPolarHBondContact O-CD1 3.15Å
957D72.3Confident84.1Confident122 Ų12250.8 Ų50.865%0.65225%0.252SS*.  trans-54.3137.6174.7-67.6-60.1000112K959 N960 I961D957-K959 PolarHBondContact O-N 2.92Å; D957-N960 WeakPolarHBondContact O-CA 3.46Å; D957-N960 PolarHBondContact O-N 2.87Å; D957-I961 PolarHBondContact O-N 2.77Å
958A69.1Low84.3Confident52 Ų5250.8 Ų50.843%0.4325%0.252SS..THydrogen-bonded Turntrans-54.8-24.2-177.700000114.8Y956 N960Y956-A958 PolarHBondContact O-N 3.23Å; A958-N960 VanDerWaalsContact C-N 3.32Å
959K71.9Confident84.3Confident178 Ų17848.6 Ų48.677%0.77424%0.241SC*.THydrogen-bonded Turntrans-75.6-17.5175.3-62.7-177.4178.6-179.50114.2R914 D957R914-K959 PolarHBondContact NH1-O 3.49Å; D957-K959 PolarHBondContact O-N 2.92Å
960N79.8Confident84.3Confident71 Ų7144.9 Ų44.938%0.3823%0.228SC..THydrogen-bonded Turntrans-113.7-9.5-175.1-71.3-36.2000113.4S913 R914 D957 A958S913-N960 CarbonylContact C-O 3.59Å; S913-N960 WeakPolarHBondContact CA-O 3.48Å; R914-N960 PolarHBondContact N-O 2.89Å; D957-N960 WeakPolarHBondContact O-CA 3.46Å; D957-N960 PolarHBondContact O-N 2.87Å; A958-N960 VanDerWaalsContact C-N 3.32Å
961I87.5Confident84.2Confident8 Ų844.6 Ų44.64%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-69.5135.4172.6-54.7171.2000109.8A911 T912 C954 Y956 D957 Y1016A911-I961 HydrophobicContact CB-CG2 4.06Å; T912-I961 CarbonylContact O-C 3.57Å; T912-I961 WeakPolarHBondContact O-CA 3.41Å; C954-I961 HydrophobicContact CB-CD1 4.1Å; C954-I961 HydrophobicContact CB-CG1 4.49Å; Y956-I961 WeakPolarHBondContact O-CD1 3.15Å; D957-I961 PolarHBondContact O-N 2.77Å; I961-Y1016 HydrophobicContact CG2-CE1 4.29Å; I961-Y1016 VanDerWaalsContact CG2-OH 3.22Å; I961-Y1016 WeakPolarHBondContact CG2-OH 3.31Å
962V90.9Very high84.2Confident0 Ų047.2 Ų47.20%024%0.242CC..EExtended strand (participates in β ladder)trans-120.1150.6160.9-63.30000109.2A911 T912 R914 V917 F964 V1013 E1015A911-V962 WeakPolarHBondContact CA-O 3.34Å; T912-V962 HydrophobicContact CG2-CG2 4.03Å; T912-V962 PolarHBondContact N-O 3.36Å; T912-V962 PolarHBondContact O-N 2.82Å; R914-V962 HydrophobicContact CB-CG1 4.09Å; R914-V962 HydrophobicContact CG-CG1 4.4Å; V917-V962 HydrophobicContact CG2-CG2 3.65Å; V962-F964 HydrophobicContact CG2-CD2 4.32Å; V962-F964 HydrophobicContact CG2-CE2 4.07Å; V962-V1013 HydrophobicContact CB-CG1 3.88Å; V962-V1013 HydrophobicContact CG1-CG1 4.38Å; V962-V1013 HydrophobicContact CG2-CG1 4.15Å; V962-E1015 HydrophobicContact CG1-CG 4.05Å
963M92.8Very high84.4Confident0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-108.4108.5178.4-174.172.167.600109.7F870 F909 A911 A947 H951 I1014 Y1016F870-M963 HydrophobicContact CD2-CG 4.3Å; F870-M963 HydrophobicContact CE2-CB 4.15Å; F870-M963 HydrophobicContact CE2-CE 4.37Å; F870-M963 HydrophobicContact CE2-CG 4.06Å; F909-M963 HydrophobicContact CB-CG 4.48Å; F909-M963 HydrophobicContact CB-SD 3.81Å; F909-M963 HydrophobicContact CD1-CG 3.77Å; F909-M963 HydrophobicContact CD1-SD 4.16Å; F909-M963 HydrophobicContact CG-SD 4.41Å; A911-M963 HydrophobicContact CB-CE 3.83Å; A911-M963 HydrophobicContact CB-SD 3.87Å; A947-M963 HydrophobicContact CB-CE 4.17Å; A947-M963 VanDerWaalsContact O-CE 3.24Å; A947-M963 WeakPolarHBondContact O-CE 3.34Å; H951-M963 HydrophobicContact CB-CE 3.93Å; M963-I1014 HydrophobicContact CB-CB 4.23Å; M963-I1014 PolarHBondContact N-O 3.21Å; M963-I1014 WeakPolarHBondContact O-CB 3.43Å; M963-I1014 PolarHBondContact O-N 3.44Å; M963-Y1016 HydrophobicContact CB-CD1 4.19Å; M963-Y1016 HydrophobicContact CB-CE1 3.69Å
964F94.1Very high84.9Confident0 Ų040.6 Ų40.60%021%0.211CC..EExtended strand (participates in β ladder)trans-72.5147.3166.9-81-102.8000110.6I885 F909 Y910 T912 V917 I920 F925 V962 P1010 Y1012 V1013I885-F964 HydrophobicContact CD1-CD1 3.76Å; I885-F964 HydrophobicContact CD1-CE1 3.55Å; F909-F964 WeakPolarHBondContact CA-O 3.41Å; Y910-F964 PolarHBondContact N-O 3.23Å; Y910-F964 WeakPolarHBondContact O-CB 3.25Å; Y910-F964 PolarHBondContact O-N 3.49Å; T912-F964 HydrophobicContact CG2-CD2 3.77Å; T912-F964 HydrophobicContact CG2-CE2 3.71Å; V917-F964 HydrophobicContact CB-CZ 4.35Å; V917-F964 HydrophobicContact CG1-CZ 4.31Å; V917-F964 HydrophobicContact CG2-CE2 4Å; V917-F964 HydrophobicContact CG2-CZ 4.17Å; I920-F964 HydrophobicContact CB-CE1 4.13Å; I920-F964 HydrophobicContact CB-CZ 3.9Å; I920-F964 HydrophobicContact CD1-CE2 4.05Å; I920-F964 HydrophobicContact CD1-CZ 4.25Å; I920-F964 HydrophobicContact CG2-CD1 4Å; I920-F964 HydrophobicContact CG2-CE1 3.49Å; I920-F964 VanDerWaalsContact CG2-CE1 3.49Å; I920-F964 HydrophobicContact CG2-CE2 4.44Å; I920-F964 HydrophobicContact CG2-CZ 3.75Å; F925-F964 HydrophobicContact CE1-CB 4.27Å; F925-F964 HydrophobicContact CE1-CD1 4.41Å; F925-F964 HydrophobicContact CE1-CG 4.22Å; F925-F964 HydrophobicContact CZ-CB 3.95Å; F925-F964 AromaticContact CZ-CD1 3.91Å; F925-F964 HydrophobicContact CZ-CD1 3.91Å; F925-F964 HydrophobicContact CZ-CG 4.03Å; V962-F964 HydrophobicContact CG2-CD2 4.32Å; V962-F964 HydrophobicContact CG2-CE2 4.07Å; F964-P1010 HydrophobicContact CD1-CB 4.03Å; F964-P1010 HydrophobicContact CE1-CB 4.2Å; F964-Y1012 CarbonylContact C-O 3.6Å; F964-Y1012 WeakPolarHBondContact CA-O 3.12Å; F964-V1013 HydrophobicContact CD1-CG2 4.13Å; F964-V1013 HydrophobicContact CE1-CG2 3.71Å; F964-V1013 HydrophobicContact CE2-CG2 4.36Å; F964-V1013 HydrophobicContact CZ-CG2 3.83Å
965V94.3Very high85.4Confident1 Ų143.6 Ų43.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-118.3117.4162.5179.30000107.1V866 L907 L908 F909 Q1011 Y1012 I1014V866-V965 HydrophobicContact CG1-CG2 4.38Å; L907-V965 HydrophobicContact CB-CG1 4.32Å; L907-V965 HydrophobicContact CD2-CG1 4.13Å; L908-V965 WeakPolarHBondContact O-CA 3.35Å; F909-V965 HydrophobicContact CD1-CG2 3.71Å; F909-V965 HydrophobicContact CE1-CG2 3.6Å; V965-Q1011 PolarHBondContact O-N 3.29Å; V965-Y1012 HydrophobicContact CB-CD2 3.99Å; V965-Y1012 HydrophobicContact CG1-CD2 4.06Å; V965-Y1012 PolarHBondContact N-O 2.95Å; V965-Y1012 PolarHBondContact O-N 3.24Å; V965-I1014 HydrophobicContact CG2-CD1 3.75Å; V965-I1014 HydrophobicContact CG2-CG1 4.33Å
966A93.7Very high86.1Confident0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-108.8147.1-179.600000110.8L907 L908 F925 F943 V968 I1008 Y1009L907-A966 WeakPolarHBondContact CA-O 3.25Å; L908-A966 PolarHBondContact N-O 3.04Å; L908-A966 PolarHBondContact O-N 3.47Å; F925-A966 HydrophobicContact CE2-CB 3.93Å; F925-A966 HydrophobicContact CZ-CB 4.25Å; F943-A966 HydrophobicContact CD1-CB 4.26Å; F943-A966 HydrophobicContact CE1-CB 3.78Å; A966-V968 HydrophobicContact CB-CG2 4.05Å; A966-I1008 HydrophobicContact CB-CG2 3.98Å; A966-Y1009 CarbonylContact C-O 3.57Å; A966-Y1009 VanDerWaalsContact CA-O 3.28Å; A966-Y1009 WeakPolarHBondContact CA-O 3.34Å
967R92.9Very high86.4Confident67 Ų6741.1 Ų41.125%0.25321%0.214SC..EExtended strand (participates in β ladder)trans-81130.4159.4-57.5-178.6-165.1-121.25.6107.4F894 E905 S906 L907 Y1009 Q1011F894-R967 HydrophobicContact CE1-CB 4.14Å; F894-R967 HydrophobicContact CE2-CB 4.03Å; F894-R967 WeakPolarHBondContact CE2-O 3.42Å; F894-R967 HydrophobicContact CZ-CB 3.52Å; E905-R967 IonicContact OE1-CZ 3.77Å; E905-R967 IonicContact OE1-NE 2.65Å; E905-R967 IonicContact OE1-NH1 2.64Å; E905-R967 PolarHBondContact OE1-NH1 2.65Å; S906-R967 CarbonylContact O-C 3.48Å; S906-R967 WeakPolarHBondContact O-CA 3.49Å; L907-R967 HydrophobicContact CD2-CG 3.87Å; R967-Y1009 PolarHBondContact N-O 2.72Å; R967-Y1009 PolarHBondContact O-N 3.4Å; R967-Q1011 HydrophobicContact CG-CB 4.32Å; R967-Q1011 VanDerWaalsContact CZ-OE1 3.25Å
968V92.6Very high86.9Confident0 Ų039.2 Ų39.20%021%0.207CC..EExtended strand (participates in β ladder)trans-131.6130.7-174.5-178.10000110.4S906 L908 F943 A966 V970 I1002 Q1007 I1008S906-V968 PolarHBondContact N-O 3.32Å; S906-V968 PolarHBondContact O-N 3Å; L908-V968 HydrophobicContact CB-CG2 4.26Å; L908-V968 HydrophobicContact CD1-CB 3.93Å; L908-V968 HydrophobicContact CD1-CG1 4.13Å; L908-V968 HydrophobicContact CD1-CG2 4.05Å; L908-V968 HydrophobicContact CG-CG2 4.44Å; F943-V968 HydrophobicContact CD1-CG2 4.11Å; F943-V968 HydrophobicContact CD2-CG2 4.3Å; F943-V968 HydrophobicContact CE1-CG2 4.42Å; F943-V968 HydrophobicContact CG-CG2 4.07Å; A966-V968 HydrophobicContact CB-CG2 4.05Å; V968-V970 HydrophobicContact CB-CG1 4.41Å; V968-V970 HydrophobicContact CG1-CG1 3.81Å; V968-V970 PolarHBondContact O-N 3.46Å; V968-I1002 HydrophobicContact CG1-CD1 3.46Å; V968-I1002 VanDerWaalsContact CG1-CD1 3.46Å; V968-I1002 HydrophobicContact CG1-CG1 3.57Å; V968-Q1007 WeakPolarHBondContact CA-O 3.13Å; V968-I1008 HydrophobicContact CG2-CG2 4.43Å
969L90.3Very high87.6Confident0 Ų039.7 Ų39.70%021%0.207CC..  trans-90.477.6175.1-56.5178.6000109.9F894 K897 K898 L901 E905 Q1007F894-L969 HydrophobicContact CD2-CD1 4.3Å; F894-L969 HydrophobicContact CD2-CG 4.24Å; F894-L969 HydrophobicContact CE1-CD2 4.39Å; F894-L969 HydrophobicContact CE2-CD1 4.13Å; F894-L969 HydrophobicContact CE2-CD2 3.98Å; F894-L969 HydrophobicContact CE2-CG 3.6Å; F894-L969 HydrophobicContact CZ-CD1 4.49Å; F894-L969 HydrophobicContact CZ-CD2 3.69Å; F894-L969 HydrophobicContact CZ-CG 3.87Å; K897-L969 HydrophobicContact CB-CD1 4Å; K897-L969 HydrophobicContact CG-CD1 4.05Å; K898-L969 HydrophobicContact CB-CD1 3.78Å; K898-L969 HydrophobicContact CB-CD2 3.95Å; K898-L969 HydrophobicContact CD-CD2 4.04Å; K898-L969 HydrophobicContact CG-CD1 4.47Å; K898-L969 HydrophobicContact CG-CD2 3.75Å; K898-L969 VanDerWaalsContact N-CD1 3.35Å; L901-L969 HydrophobicContact CD1-CB 4.2Å; L901-L969 HydrophobicContact CD1-CD1 4.39Å; E905-L969 HydrophobicContact CB-CD2 4.24Å; L969-Q1007 HydrophobicContact CB-CB 4.14Å; L969-Q1007 HydrophobicContact CB-CG 4.39Å; L969-Q1007 PolarHBondContact N-O 3.39Å; L969-Q1007 PolarHBondContact O-NE2 2.93Å
970V86.5Confident88.1Confident13 Ų1334.5 Ų34.58%0.07918%0.183CC..  trans-64.4-39.9-177-610000112.5L908 V968 S989 F1000L908-V970 HydrophobicContact CD1-CG1 4.06Å; V968-V970 HydrophobicContact CB-CG1 4.41Å; V968-V970 HydrophobicContact CG1-CG1 3.81Å; V968-V970 PolarHBondContact O-N 3.46Å; V970-S989 VanDerWaalsContact O-CB 3.31Å; V970-S989 WeakPolarHBondContact O-CB 3.37Å; V970-S989 PolarHBondContact O-OG 3.33Å; V970-F1000 HydrophobicContact CB-CD1 3.9Å; V970-F1000 HydrophobicContact CB-CE1 4.12Å; V970-F1000 HydrophobicContact CG1-CB 4.26Å; V970-F1000 HydrophobicContact CG1-CD1 3.48Å; V970-F1000 VanDerWaalsContact CG1-CD1 3.48Å; V970-F1000 HydrophobicContact CG1-CE1 3.91Å; V970-F1000 HydrophobicContact CG1-CG 3.9Å; V970-F1000 HydrophobicContact CG2-CE1 4.39Å
971G85.3Confident88.1Confident8 Ų837.1 Ų37.18%0.08219%0.194CC..  trans52-145.4-177.400000113.7F973G971-F973 WeakPolarHBondContact O-CD1 3.33Å; G971-F973 PolarHBondContact O-N 2.99Å
972N86.1Confident87.7Confident87 Ų8740.4 Ų40.447%0.46522%0.218SC..SBendtrans-69.4118.3176.1-68.3-64.1000110.3Y987 N988 S989N972-Y987 HydrophobicContact CB-CD1 4.09Å; N972-Y987 WeakPolarHBondContact O-CA 3.45Å; N972-Y987 WeakPolarHBondContact O-CB 3.2Å; N972-N988 PolarHBondContact N-OD1 3.2Å; N972-N988 PolarHBondContact O-N 3.27Å; N972-S989 PolarHBondContact O-N 2.88Å
973F87.3Confident87.2Confident71 Ų7141.9 Ų41.931%0.31123%0.227SC..EExtended strand (participates in β ladder)trans-107.9149-179.152.5-98.5000113.5G971 Y987 S989 V991 P997 F1000G971-F973 WeakPolarHBondContact O-CD1 3.33Å; G971-F973 PolarHBondContact O-N 2.99Å; F973-Y987 WeakPolarHBondContact O-CD1 3.32Å; F973-Y987 WeakPolarHBondContact O-CE1 3.32Å; F973-S989 WeakPolarHBondContact CB-OG 3.32Å; F973-V991 HydrophobicContact CB-CG1 3.71Å; F973-V991 HydrophobicContact CB-CG2 4.24Å; F973-V991 HydrophobicContact CD2-CG1 4.02Å; F973-V991 HydrophobicContact CD2-CG2 3.69Å; F973-V991 HydrophobicContact CG-CG1 3.93Å; F973-V991 HydrophobicContact CG-CG2 4.32Å; F973-P997 HydrophobicContact CE2-CG 4.04Å; F973-P997 HydrophobicContact CZ-CG 3.98Å; F973-F1000 HydrophobicContact CD1-CE1 4.31Å
974I88.9Confident86.6Confident19 Ų1943.5 Ų43.510%0.09724%0.238CC..EExtended strand (participates in β ladder)trans-130.7155.1176.3-176.8156.9000109.9G976 P984 Y987 S989 C990 V991I974-G976 PolarHBondContact O-N 3.28Å; I974-P984 HydrophobicContact CD1-CG 4.46Å; I974-P984 HydrophobicContact CG2-CG 3.98Å; I974-Y987 HydrophobicContact CB-CD1 3.64Å; I974-Y987 HydrophobicContact CB-CD2 4.2Å; I974-Y987 HydrophobicContact CB-CE1 3.81Å; I974-Y987 HydrophobicContact CB-CE2 4.37Å; I974-Y987 HydrophobicContact CB-CG 3.83Å; I974-Y987 HydrophobicContact CD1-CD2 4.1Å; I974-Y987 HydrophobicContact CD1-CE1 4.43Å; I974-Y987 HydrophobicContact CD1-CE2 3.74Å; I974-Y987 HydrophobicContact CG2-CD1 4.02Å; I974-Y987 HydrophobicContact CG2-CD2 4.17Å; I974-Y987 HydrophobicContact CG2-CG 3.75Å; I974-S989 PolarHBondContact N-O 3.42Å; I974-C990 CarbonylContact O-C 3.53Å; I974-C990 WeakPolarHBondContact O-CA 3.14Å; I974-V991 WeakPolarHBondContact O-CG2 3.32Å; I974-V991 PolarHBondContact O-N 3.42Å
975E88.8Confident85.1Confident76 Ų7652.4 Ų52.436%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-59.2126.6172.5-80.7137.8-178.900110.8V991 R994E975-V991 WeakPolarHBondContact CA-O 3.32Å; E975-R994 HydrophobicContact CG-CG 4.02Å; E975-R994 WeakPolarHBondContact OE1-CB 3.4Å; E975-R994 WeakPolarHBondContact OE1-CG 3.31Å; E975-R994 PolarHBondContact OE1-N 2.87Å; E975-R994 IonicContact OE1-NE 3.58Å; E975-R994 IonicContact OE2-CZ 3.52Å; E975-R994 IonicContact OE2-NE 3.62Å; E975-R994 PolarHBondContact OE2-NE 3.16Å; E975-R994 IonicContact OE2-NH2 2.77Å; E975-R994 PolarHBondContact OE2-NH2 2.94Å
976G85.1Confident84.2Confident16 Ų1660.5 Ų60.517%0.16532%0.317CS..  trans-76.6156.7-174.100000113.5Y937 I974 V991Y937-G976 VanDerWaalsContact O-CA 3.23Å; Y937-G976 WeakPolarHBondContact O-CA 3.48Å; I974-G976 PolarHBondContact O-N 3.28Å; G976-V991 PolarHBondContact N-O 2.75Å
977N83.4Confident83.7Confident75 Ų7563.9 Ų63.940%0.40133%0.331SS..  trans-134.4141.7177.3-171.5-71.2000109.7Y937 G938 S979 Y980Y937-N977 CarbonylContact C-O 3.52Å; Y937-N977 PolarHBondContact O-N 3.29Å; G938-N977 VanDerWaalsContact CA-O 3.29Å; G938-N977 WeakPolarHBondContact CA-O 3.45Å; G938-N977 PolarHBondContact N-O 2.74Å; N977-S979 PolarHBondContact O-N 3.47Å; N977-S979 WeakPolarHBondContact OD1-CB 3.48Å; N977-S979 PolarHBondContact OD1-N 2.83Å; N977-S979 PolarHBondContact OD1-OG 2.95Å; N977-Y980 HydrophobicContact CB-CD1 3.95Å; N977-Y980 HydrophobicContact CB-CD2 3.8Å; N977-Y980 HydrophobicContact CB-CE1 3.78Å; N977-Y980 HydrophobicContact CB-CE2 3.62Å; N977-Y980 HydrophobicContact CB-CG 3.96Å; N977-Y980 WeakPolarHBondContact O-CB 3.29Å; N977-Y980 PolarHBondContact O-N 3.26Å
978V84.4Confident83.2Confident82 Ų8262.3 Ų62.350%0.49733%0.327SS..THydrogen-bonded Turntrans-49-31.5177.2-174.60000113.7T935 K936T935-V978 WeakPolarHBondContact O-CA 3.47Å; K936-V978 WeakPolarHBondContact O-CG2 3.46Å; K936-V978 PolarHBondContact O-N 2.82Å
979S82.3Confident83Confident62 Ų6262.3 Ų62.343%0.43433%0.327SS..THydrogen-bonded Turntrans-79.5-12.8-179.963.10000115N977 M981N977-S979 PolarHBondContact O-N 3.47Å; N977-S979 WeakPolarHBondContact OD1-CB 3.48Å; N977-S979 PolarHBondContact OD1-N 2.83Å; N977-S979 PolarHBondContact OD1-OG 2.95Å; S979-M981 PolarHBondContact O-N 3.36Å
980Y83.1Confident82.9Confident69 Ų6962.3 Ų62.327%0.27133%0.327SS..  trans-74.2123.5-176.6-64.2-15.4000111.6G938 K939 N977 P984 F1003G938-Y980 CarbonylContact C-O 3.35Å; G938-Y980 WeakPolarHBondContact CA-O 3.33Å; K939-Y980 PolarHBondContact N-O 2.92Å; N977-Y980 HydrophobicContact CB-CD1 3.95Å; N977-Y980 HydrophobicContact CB-CD2 3.8Å; N977-Y980 HydrophobicContact CB-CE1 3.78Å; N977-Y980 HydrophobicContact CB-CE2 3.62Å; N977-Y980 HydrophobicContact CB-CG 3.96Å; N977-Y980 WeakPolarHBondContact O-CB 3.29Å; N977-Y980 PolarHBondContact O-N 3.26Å; Y980-P984 HydrophobicContact CD2-CG 4.16Å; Y980-P984 HydrophobicContact CE1-CG 4.15Å; Y980-P984 HydrophobicContact CE2-CG 3.62Å; Y980-F1003 WeakPolarHBondContact O-CE1 3.4Å
981M79.3Confident83.1Confident126 Ų12661.7 Ų61.762%0.62132%0.323SS*.SBendtrans-106.8-4170.2-63.9-168.960.400112.8K939 S979 F1003K939-M981 HydrophobicContact CB-CG 4.44Å; K939-M981 HydrophobicContact CD-CG 4.1Å; K939-M981 HydrophobicContact CD-SD 4.43Å; S979-M981 PolarHBondContact O-N 3.36Å; M981-F1003 WeakPolarHBondContact O-CD1 3.12Å
982S79Confident83.2Confident77 Ų7762.8 Ų62.854%0.53833%0.327SS..SBendtrans-155.1158.3173.853.60000107.3
983P81.7Confident83.2Confident31 Ų3161.7 Ų61.720%0.20132%0.324CS..PPolyproline II helixtrans-67.6144.2176.629.5-33.7000110.1Y987 F1003P983-Y987 WeakPolarHBondContact CG-O 3.41Å; P983-F1003 HydrophobicContact CB-CD2 4.31Å; P983-F1003 HydrophobicContact CB-CE2 4.36Å; P983-F1003 HydrophobicContact CG-CD2 4.31Å
984P80.3Confident83.1Confident34 Ų3463.3 Ų63.322%0.22133%0.328CS..PPolyproline II helixtrans-51.3145.6172.6-29.436000112.6I974 Y980 Q986 Y987I974-P984 HydrophobicContact CD1-CG 4.46Å; I974-P984 HydrophobicContact CG2-CG 3.98Å; Y980-P984 HydrophobicContact CD2-CG 4.16Å; Y980-P984 HydrophobicContact CE1-CG 4.15Å; Y980-P984 HydrophobicContact CE2-CG 3.62Å; P984-Q986 PolarHBondContact O-N 3.28Å; P984-Y987 HydrophobicContact CB-CD2 4.25Å; P984-Y987 WeakPolarHBondContact O-CB 3.45Å; P984-Y987 PolarHBondContact O-N 3.39Å
985Q62.5Low82.7Confident187 Ų18770.5 Ų70.587%0.87437%0.365SS*.THydrogen-bonded Turntrans-53.2133.4-177.5-16217419.100110.8
986Q74.6Confident82.4Confident170 Ų17071.2 Ų71.279%0.79437%0.372SS*.THydrogen-bonded Turntrans86.9-13.2-167.6-51.4169.416.500116.5P984P984-Q986 PolarHBondContact O-N 3.28Å
987Y82.6Confident82.5Confident72 Ų7271.3 Ų71.328%0.28237%0.37SS..  trans-107.7160.7178.9-62.1-90.3000112.6N972 F973 I974 P983 P984N972-Y987 HydrophobicContact CB-CD1 4.09Å; N972-Y987 WeakPolarHBondContact O-CA 3.45Å; N972-Y987 WeakPolarHBondContact O-CB 3.2Å; F973-Y987 WeakPolarHBondContact O-CD1 3.32Å; F973-Y987 WeakPolarHBondContact O-CE1 3.32Å; I974-Y987 HydrophobicContact CB-CD1 3.64Å; I974-Y987 HydrophobicContact CB-CD2 4.2Å; I974-Y987 HydrophobicContact CB-CE1 3.81Å; I974-Y987 HydrophobicContact CB-CE2 4.37Å; I974-Y987 HydrophobicContact CB-CG 3.83Å; I974-Y987 HydrophobicContact CD1-CD2 4.1Å; I974-Y987 HydrophobicContact CD1-CE1 4.43Å; I974-Y987 HydrophobicContact CD1-CE2 3.74Å; I974-Y987 HydrophobicContact CG2-CD1 4.02Å; I974-Y987 HydrophobicContact CG2-CD2 4.17Å; I974-Y987 HydrophobicContact CG2-CG 3.75Å; P983-Y987 WeakPolarHBondContact CG-O 3.41Å; P984-Y987 HydrophobicContact CB-CD2 4.25Å; P984-Y987 WeakPolarHBondContact O-CB 3.45Å; P984-Y987 PolarHBondContact O-N 3.39Å
988N83.9Confident82.7Confident33 Ų3369 Ų6918%0.17636%0.359CS..SBendtrans-119-20.6-174.7-52.3118000113.3N972 Q1007N972-N988 PolarHBondContact N-OD1 3.2Å; N972-N988 PolarHBondContact O-N 3.27Å; N988-Q1007 PolarHBondContact O-NE2 3.35Å; N988-Q1007 PolarHBondContact O-OE1 2.91Å
989S87.3Confident83Confident0 Ų065.1 Ų65.10%034%0.335CS..EExtended strand (participates in β ladder)trans-149.2171.1174.7610000111.1V970 N972 F973 I974V970-S989 VanDerWaalsContact O-CB 3.31Å; V970-S989 WeakPolarHBondContact O-CB 3.37Å; V970-S989 PolarHBondContact O-OG 3.33Å; N972-S989 PolarHBondContact O-N 2.88Å; F973-S989 WeakPolarHBondContact CB-OG 3.32Å; I974-S989 PolarHBondContact N-O 3.42Å
990C89Confident83.4Confident0 Ų062.8 Ų62.80%032%0.318CS..EExtended strand (participates in β ladder)trans-119149.9172.3-72.20000110.9I974 F1000 V1001 F1003I974-C990 CarbonylContact O-C 3.53Å; I974-C990 WeakPolarHBondContact O-CA 3.14Å; C990-F1000 CarbonylContact O-C 3.52Å; C990-F1000 WeakPolarHBondContact O-CA 3.46Å; C990-V1001 HydrophobicContact CB-CB 4.28Å; C990-V1001 PolarHBondContact N-O 2.89Å; C990-V1001 VanDerWaalsContact N-O 3.11Å; C990-V1001 PolarHBondContact O-N 3.14Å; C990-F1003 HydrophobicContact CB-CE2 3.96Å; C990-F1003 HydrophobicContact CB-CZ 4.22Å
991V90.5Very high83.7Confident0 Ų059.5 Ų59.50%031%0.305CS..EExtended strand (participates in β ladder)trans-131.5165.1-176.9-67.70000112.6F973 I974 E975 G976 P997 V999 F1000F973-V991 HydrophobicContact CB-CG1 3.71Å; F973-V991 HydrophobicContact CB-CG2 4.24Å; F973-V991 HydrophobicContact CD2-CG1 4.02Å; F973-V991 HydrophobicContact CD2-CG2 3.69Å; F973-V991 HydrophobicContact CG-CG1 3.93Å; F973-V991 HydrophobicContact CG-CG2 4.32Å; I974-V991 WeakPolarHBondContact O-CG2 3.32Å; I974-V991 PolarHBondContact O-N 3.42Å; E975-V991 WeakPolarHBondContact CA-O 3.32Å; G976-V991 PolarHBondContact N-O 2.75Å; V991-P997 HydrophobicContact CB-CB 3.87Å; V991-P997 HydrophobicContact CG1-CB 3.67Å; V991-P997 HydrophobicContact CG2-CB 4.31Å; V991-V999 VanDerWaalsContact CA-O 3.25Å; V991-V999 WeakPolarHBondContact CA-O 3.13Å; V991-V999 WeakPolarHBondContact CB-O 3.34Å; V991-V999 WeakPolarHBondContact CG1-O 3.04Å; V991-F1000 HydrophobicContact CG1-CD1 3.42Å; V991-F1000 VanDerWaalsContact CG1-CD1 3.42Å; V991-F1000 HydrophobicContact CG1-CE1 3.68Å; V991-F1000 HydrophobicContact CG1-CG 4.11Å
992D87.5Confident84.3Confident31 Ų3153.6 Ų53.617%0.16628%0.276CS..SBendtrans-67.7-39.4172.857.6-33.9000113.5Y937 P997 S998 V999Y937-D992 HydrophobicContact CD2-CB 4.32Å; Y937-D992 HydrophobicContact CE1-CB 4.32Å; Y937-D992 HydrophobicContact CE2-CB 3.81Å; D992-P997 WeakPolarHBondContact OD1-CA 3.38Å; D992-S998 PolarHBondContact OD1-N 2.94Å; D992-S998 VanDerWaalsContact OD2-CB 3.32Å; D992-S998 WeakPolarHBondContact OD2-CB 3.22Å; D992-S998 PolarHBondContact OD2-N 2.78Å; D992-V999 HydrophobicContact CB-CB 4.06Å; D992-V999 HydrophobicContact CB-CG2 4.17Å; D992-V999 PolarHBondContact N-O 3.44Å; D992-V999 PolarHBondContact OD1-N 2.93Å
993T86.4Confident84.6Confident64 Ų6451.4 Ų51.439%0.39326%0.257SS..  trans-159.8134178.6-68.60000110.8L995 N996 P997T993-L995 VanDerWaalsContact C-N 3.33Å; T993-L995 HydrophobicContact CG2-CB 4.29Å; T993-L995 PolarHBondContact O-N 2.97Å; T993-N996 CarbonylContact O-C 3.58Å; T993-P997 WeakPolarHBondContact O-CA 3.14Å
994R84.1Confident84.8Confident106 Ų10653.8 Ų53.840%0.427%0.265SS..THydrogen-bonded Turntrans-63.8-32.5-177.5-74.4177.9-137.3-129.17.6114.7E975E975-R994 HydrophobicContact CG-CG 4.02Å; E975-R994 WeakPolarHBondContact OE1-CB 3.4Å; E975-R994 WeakPolarHBondContact OE1-CG 3.31Å; E975-R994 PolarHBondContact OE1-N 2.87Å; E975-R994 IonicContact OE1-NE 3.58Å; E975-R994 IonicContact OE2-CZ 3.52Å; E975-R994 IonicContact OE2-NE 3.62Å; E975-R994 PolarHBondContact OE2-NE 3.16Å; E975-R994 IonicContact OE2-NH2 2.77Å; E975-R994 PolarHBondContact OE2-NH2 2.94Å
995L80.4Confident85.1Confident169 Ų16956.4 Ų56.489%0.88527%0.273SS*.THydrogen-bonded Turntrans-76.5-29.2-171.8-64.3176.5000113.9T993T993-L995 VanDerWaalsContact C-N 3.33Å; T993-L995 HydrophobicContact CG2-CB 4.29Å; T993-L995 PolarHBondContact O-N 2.97Å
996N83.4Confident86.3Confident92 Ų9250.1 Ų50.149%0.49225%0.245SC..SBendtrans-152.782171.217547.4000108.7K945 T993 S998K945-N996 PolarHBondContact NZ-OD1 3.21Å; T993-N996 CarbonylContact O-C 3.58Å; N996-S998 PolarHBondContact O-N 3.32Å; N996-S998 PolarHBondContact O-OG 2.8Å
997P87.6Confident86.9Confident18 Ų1842.2 Ų42.212%0.11721%0.208CC..  trans-65.6124.2-179.527.1-34.9000109.7K945 F973 V991 D992 T993 F1000K945-P997 WeakPolarHBondContact CD-O 3.26Å; F973-P997 HydrophobicContact CE2-CG 4.04Å; F973-P997 HydrophobicContact CZ-CG 3.98Å; V991-P997 HydrophobicContact CB-CB 3.87Å; V991-P997 HydrophobicContact CG1-CB 3.67Å; V991-P997 HydrophobicContact CG2-CB 4.31Å; D992-P997 WeakPolarHBondContact OD1-CA 3.38Å; T993-P997 WeakPolarHBondContact O-CA 3.14Å; P997-F1000 HydrophobicContact CB-CE1 3.93Å; P997-F1000 HydrophobicContact CB-CE2 4.25Å; P997-F1000 HydrophobicContact CB-CZ 3.66Å; P997-F1000 HydrophobicContact CG-CE1 4.13Å; P997-F1000 HydrophobicContact CG-CZ 3.75Å
998S87.2Confident87.3Confident25 Ų2538.9 Ų38.918%0.17520%0.195CC..  trans-112.8-19.4177.7-48.50000111.4K945 D992 N996K945-S998 WeakPolarHBondContact CB-O 3.39Å; K945-S998 PolarHBondContact N-O 2.88Å; D992-S998 PolarHBondContact OD1-N 2.94Å; D992-S998 VanDerWaalsContact OD2-CB 3.32Å; D992-S998 WeakPolarHBondContact OD2-CB 3.22Å; D992-S998 PolarHBondContact OD2-N 2.78Å; N996-S998 PolarHBondContact O-N 3.32Å; N996-S998 PolarHBondContact O-OG 2.8Å
999V90.3Very high87.7Confident1 Ų137.5 Ų37.51%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-128.6136177.2-170.60000109.4Y942 F943 Y949 V991 D992Y942-V999 HydrophobicContact CD1-CG1 3.87Å; F943-V999 CarbonylContact O-C 3.55Å; F943-V999 WeakPolarHBondContact O-CA 3.29Å; Y949-V999 HydrophobicContact CD1-CG2 4.1Å; Y949-V999 HydrophobicContact CE1-CG2 3.43Å; Y949-V999 VanDerWaalsContact CE1-CG2 3.43Å; Y949-V999 HydrophobicContact CE2-CG2 4.21Å; Y949-V999 VanDerWaalsContact CZ-CG2 3.49Å; V991-V999 VanDerWaalsContact CA-O 3.25Å; V991-V999 WeakPolarHBondContact CA-O 3.13Å; V991-V999 WeakPolarHBondContact CB-O 3.34Å; V991-V999 WeakPolarHBondContact CG1-O 3.04Å; D992-V999 HydrophobicContact CB-CB 4.06Å; D992-V999 HydrophobicContact CB-CG2 4.17Å; D992-V999 PolarHBondContact N-O 3.44Å; D992-V999 PolarHBondContact OD1-N 2.93Å
1000F90.8Very high88Confident14 Ų1437.5 Ų37.56%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-125.6118.9177.3-62-96000109.8L908 F943 K945 V970 F973 C990 V991 P997L908-F1000 HydrophobicContact CD1-CB 3.91Å; L908-F1000 HydrophobicContact CD1-CD2 3.58Å; L908-F1000 HydrophobicContact CD1-CE2 4.29Å; L908-F1000 HydrophobicContact CD1-CG 3.86Å; L908-F1000 HydrophobicContact CD2-CD2 3.88Å; L908-F1000 HydrophobicContact CD2-CE2 3.92Å; L908-F1000 HydrophobicContact CG-CD2 4.44Å; F943-F1000 PolarHBondContact N-O 3.16Å; F943-F1000 PolarHBondContact O-N 2.96Å; K945-F1000 HydrophobicContact CB-CE2 4.47Å; V970-F1000 HydrophobicContact CB-CD1 3.9Å; V970-F1000 HydrophobicContact CB-CE1 4.12Å; V970-F1000 HydrophobicContact CG1-CB 4.26Å; V970-F1000 HydrophobicContact CG1-CD1 3.48Å; V970-F1000 VanDerWaalsContact CG1-CD1 3.48Å; V970-F1000 HydrophobicContact CG1-CE1 3.91Å; V970-F1000 HydrophobicContact CG1-CG 3.9Å; V970-F1000 HydrophobicContact CG2-CE1 4.39Å; F973-F1000 HydrophobicContact CD1-CE1 4.31Å; C990-F1000 CarbonylContact O-C 3.52Å; C990-F1000 WeakPolarHBondContact O-CA 3.46Å; V991-F1000 HydrophobicContact CG1-CD1 3.42Å; V991-F1000 VanDerWaalsContact CG1-CD1 3.42Å; V991-F1000 HydrophobicContact CG1-CE1 3.68Å; V991-F1000 HydrophobicContact CG1-CG 4.11Å; P997-F1000 HydrophobicContact CB-CE1 3.93Å; P997-F1000 HydrophobicContact CB-CE2 4.25Å; P997-F1000 HydrophobicContact CB-CZ 3.66Å; P997-F1000 HydrophobicContact CG-CE1 4.13Å; P997-F1000 HydrophobicContact CG-CZ 3.75Å
1001V90.2Very high88.1Confident0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-95.5123.6175.5-176.90000109.3S941 Y942 C990 F1003S941-V1001 WeakPolarHBondContact O-CA 3.4Å; Y942-V1001 HydrophobicContact CD1-CG2 3.76Å; Y942-V1001 HydrophobicContact CD2-CG1 4.42Å; Y942-V1001 HydrophobicContact CD2-CG2 4.13Å; Y942-V1001 HydrophobicContact CE1-CG2 3.53Å; Y942-V1001 HydrophobicContact CE2-CG1 4.06Å; Y942-V1001 HydrophobicContact CE2-CG2 3.89Å; Y942-V1001 HydrophobicContact CG-CG2 4.04Å; C990-V1001 HydrophobicContact CB-CB 4.28Å; C990-V1001 PolarHBondContact N-O 2.89Å; C990-V1001 VanDerWaalsContact N-O 3.11Å; C990-V1001 PolarHBondContact O-N 3.14Å; V1001-F1003 HydrophobicContact CG1-CE1 4.22Å; V1001-F1003 HydrophobicContact CG1-CE2 4.1Å; V1001-F1003 HydrophobicContact CG1-CZ 3.84Å
1002I90.8Very high88.3Confident1 Ų138.9 Ų38.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-117.7124.5-174.9-51.6-64.6000109.9G940 S941 F943 V968 Q1007 I1008G940-I1002 CarbonylContact C-O 3.6Å; G940-I1002 WeakPolarHBondContact CA-O 3.43Å; S941-I1002 PolarHBondContact N-O 2.85Å; S941-I1002 PolarHBondContact O-N 2.83Å; F943-I1002 HydrophobicContact CD2-CB 4.35Å; F943-I1002 HydrophobicContact CD2-CG1 3.75Å; F943-I1002 HydrophobicContact CE2-CB 4.29Å; F943-I1002 HydrophobicContact CE2-CG1 4.13Å; V968-I1002 HydrophobicContact CG1-CD1 3.46Å; V968-I1002 VanDerWaalsContact CG1-CD1 3.46Å; V968-I1002 HydrophobicContact CG1-CG1 3.57Å; I1002-Q1007 HydrophobicContact CG2-CB 3.67Å; I1002-Q1007 HydrophobicContact CG2-CG 4.44Å; I1002-I1008 HydrophobicContact CB-CD1 4.14Å; I1002-I1008 HydrophobicContact CB-CG1 4.25Å; I1002-I1008 HydrophobicContact CG2-CD1 3.85Å; I1002-I1008 HydrophobicContact CG2-CG1 3.67Å
1003F86.3Confident88.6Confident32 Ų3237.5 Ų37.514%0.1419%0.186CC..  trans-96.1-24.9-172.2-59.1-91.8000113K939 Y980 M981 P983 C990 V1001K939-F1003 WeakPolarHBondContact O-CD1 3.47Å; Y980-F1003 WeakPolarHBondContact O-CE1 3.4Å; M981-F1003 WeakPolarHBondContact O-CD1 3.12Å; P983-F1003 HydrophobicContact CB-CD2 4.31Å; P983-F1003 HydrophobicContact CB-CE2 4.36Å; P983-F1003 HydrophobicContact CG-CD2 4.31Å; C990-F1003 HydrophobicContact CB-CE2 3.96Å; C990-F1003 HydrophobicContact CB-CZ 4.22Å; V1001-F1003 HydrophobicContact CG1-CE1 4.22Å; V1001-F1003 HydrophobicContact CG1-CE2 4.1Å; V1001-F1003 HydrophobicContact CG1-CZ 3.84Å
1004E86.1Confident88.9Confident81 Ų8134.4 Ų34.438%0.37917%0.167SC..  trans-111.7122.3-176-165.9-178.8164.400111.2K897 D1006 Q1007K897-E1004 VanDerWaalsContact CE-CD 3.49Å; K897-E1004 VanDerWaalsContact CE-OE1 3.32Å; K897-E1004 WeakPolarHBondContact CE-OE1 3.49Å; K897-E1004 WeakPolarHBondContact CE-OE2 3.2Å; K897-E1004 IonicContact NZ-OE1 2.86Å; K897-E1004 PolarHBondContact NZ-OE1 2.96Å; K897-E1004 IonicContact NZ-OE2 3.34Å; K897-E1004 PolarHBondContact NZ-OE2 2.9Å; E1004-D1006 PolarHBondContact O-N 3.28Å; E1004-Q1007 HydrophobicContact CB-CG 4.23Å; E1004-Q1007 WeakPolarHBondContact O-CB 3.39Å; E1004-Q1007 PolarHBondContact O-N 3.23Å
1005K85.8Confident89.3Confident88 Ų8830.4 Ų30.438%0.38315%0.153SC..G310 helixtrans-57.4-35.5-176.3-54.9-177.1-172.1-173.30112.8N924 D926 Q1007 I1008N924-K1005 PolarHBondContact ND2-O 3.3Å; D926-K1005 WeakPolarHBondContact OD1-CE 3.27Å; D926-K1005 IonicContact OD1-NZ 2.66Å; D926-K1005 PolarHBondContact OD1-NZ 3.1Å; D926-K1005 IonicContact OD2-NZ 2.66Å; D926-K1005 PolarHBondContact OD2-NZ 3.4Å; K1005-Q1007 PolarHBondContact O-N 3.31Å; K1005-I1008 PolarHBondContact O-N 3.32Å
1006D86.8Confident89.7Confident55 Ų5522.9 Ų22.929%0.29411%0.113SC..G310 helixtrans-69.5-8.7-179.9-7416.5000113.2K893 F894 K897 E1004 I1008K893-D1006 HydrophobicContact CB-CB 4.48Å; F894-D1006 WeakPolarHBondContact CA-O 3.39Å; K897-D1006 HydrophobicContact CB-CB 4.26Å; K897-D1006 VanDerWaalsContact CB-O 3.23Å; K897-D1006 WeakPolarHBondContact CB-O 3.27Å; K897-D1006 HydrophobicContact CD-CB 4.36Å; K897-D1006 HydrophobicContact CG-CB 4.35Å; E1004-D1006 PolarHBondContact O-N 3.28Å; D1006-I1008 VanDerWaalsContact C-N 3.29Å
1007Q87.8Confident89.9Confident5 Ų520.7 Ų20.72%0.02310%0.103CC..G310 helixtrans-80.5-5.3167.7-67.9176.2-92.600113.5F894 K897 L901 V968 L969 N988 I1002 E1004 K1005F894-Q1007 WeakPolarHBondContact CE2-O 3.47Å; K897-Q1007 HydrophobicContact CG-CG 4.27Å; L901-Q1007 HydrophobicContact CD1-CG 4.47Å; V968-Q1007 WeakPolarHBondContact CA-O 3.13Å; L969-Q1007 HydrophobicContact CB-CB 4.14Å; L969-Q1007 HydrophobicContact CB-CG 4.39Å; L969-Q1007 PolarHBondContact N-O 3.39Å; L969-Q1007 PolarHBondContact O-NE2 2.93Å; N988-Q1007 PolarHBondContact O-NE2 3.35Å; N988-Q1007 PolarHBondContact O-OE1 2.91Å; I1002-Q1007 HydrophobicContact CG2-CB 3.67Å; I1002-Q1007 HydrophobicContact CG2-CG 4.44Å; E1004-Q1007 HydrophobicContact CB-CG 4.23Å; E1004-Q1007 WeakPolarHBondContact O-CB 3.39Å; E1004-Q1007 PolarHBondContact O-N 3.23Å; K1005-Q1007 PolarHBondContact O-N 3.31Å
1008I92Very high89.7Confident1 Ų123.8 Ų23.81%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-124137.2-170-46.5161.7000110.4N924 F925 F943 A966 V968 I1002 K1005 D1006N924-I1008 PolarHBondContact ND2-O 3.38Å; F925-I1008 HydrophobicContact CB-CD1 4.31Å; F925-I1008 HydrophobicContact CD2-CB 4.44Å; F925-I1008 HydrophobicContact CD2-CG2 3.45Å; F925-I1008 VanDerWaalsContact CD2-CG2 3.45Å; F925-I1008 HydrophobicContact CE2-CG2 3.69Å; F943-I1008 HydrophobicContact CE1-CG2 4.23Å; F943-I1008 HydrophobicContact CE2-CD1 3.64Å; F943-I1008 HydrophobicContact CE2-CG1 4.03Å; F943-I1008 HydrophobicContact CE2-CG2 4.24Å; F943-I1008 HydrophobicContact CZ-CD1 3.9Å; F943-I1008 HydrophobicContact CZ-CG1 4.26Å; F943-I1008 HydrophobicContact CZ-CG2 3.65Å; A966-I1008 HydrophobicContact CB-CG2 3.98Å; V968-I1008 HydrophobicContact CG2-CG2 4.43Å; I1002-I1008 HydrophobicContact CB-CD1 4.14Å; I1002-I1008 HydrophobicContact CB-CG1 4.25Å; I1002-I1008 HydrophobicContact CG2-CD1 3.85Å; I1002-I1008 HydrophobicContact CG2-CG1 3.67Å; K1005-I1008 PolarHBondContact O-N 3.32Å; D1006-I1008 VanDerWaalsContact C-N 3.29Å
1009Y92.2Very high88.7Confident5 Ų524.9 Ų24.92%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-130.8114.3166.1-179.2-99.6000110.7I885 N887 L890 L891 A966 R967 Q1011I885-Y1009 PolarHBondContact O-OH 3.07Å; N887-Y1009 PolarHBondContact N-OH 2.85Å; N887-Y1009 WeakPolarHBondContact O-CE2 3.26Å; L890-Y1009 HydrophobicContact CB-CD2 3.98Å; L890-Y1009 HydrophobicContact CB-CE2 4.07Å; L891-Y1009 HydrophobicContact CB-CD2 4.11Å; L891-Y1009 HydrophobicContact CB-CE2 3.66Å; L891-Y1009 HydrophobicContact CD1-CD1 4.37Å; L891-Y1009 HydrophobicContact CD1-CD2 4.24Å; L891-Y1009 HydrophobicContact CD1-CE1 4.34Å; L891-Y1009 HydrophobicContact CD1-CE2 4.2Å; L891-Y1009 HydrophobicContact CD1-CG 4.34Å; L891-Y1009 HydrophobicContact CG-CE2 4.49Å; A966-Y1009 CarbonylContact C-O 3.57Å; A966-Y1009 VanDerWaalsContact CA-O 3.28Å; A966-Y1009 WeakPolarHBondContact CA-O 3.34Å; R967-Y1009 PolarHBondContact N-O 2.72Å; R967-Y1009 PolarHBondContact O-N 3.4Å; Y1009-Q1011 HydrophobicContact CD1-CB 4.13Å; Y1009-Q1011 HydrophobicContact CE1-CB 4.23Å; Y1009-Q1011 PolarHBondContact O-N 3.05Å
1010P92.4Very high86.9Confident0 Ų032 Ų320%017%0.167CC..EExtended strand (participates in β ladder)trans-67118173.528.1-32.3000108.9I885 L890 I920 N924 F925 F964I885-P1010 WeakPolarHBondContact CB-O 3.32Å; I885-P1010 HydrophobicContact CD1-CB 3.75Å; L890-P1010 HydrophobicContact CD1-CG 4.35Å; I920-P1010 HydrophobicContact CG2-CB 4.17Å; I920-P1010 HydrophobicContact CG2-CG 4.45Å; N924-P1010 WeakPolarHBondContact OD1-CD 3.47Å; F925-P1010 HydrophobicContact CE2-CB 3.66Å; F925-P1010 HydrophobicContact CE2-CG 4.29Å; F925-P1010 HydrophobicContact CZ-CB 4.04Å; F964-P1010 HydrophobicContact CD1-CB 4.03Å; F964-P1010 HydrophobicContact CE1-CB 4.2Å
1011Q92.4Very high85Confident11 Ų1139.2 Ų39.25%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-107.6-38.7-171.2-18063.694.700113.4I885 V965 R967 Y1009I885-Q1011 PolarHBondContact N-O 2.89Å; I885-Q1011 PolarHBondContact O-NE2 3.03Å; V965-Q1011 PolarHBondContact O-N 3.29Å; R967-Q1011 HydrophobicContact CG-CB 4.32Å; R967-Q1011 VanDerWaalsContact CZ-OE1 3.25Å; Y1009-Q1011 HydrophobicContact CD1-CB 4.13Å; Y1009-Q1011 HydrophobicContact CE1-CB 4.23Å; Y1009-Q1011 PolarHBondContact O-N 3.05Å
1012Y93.9Very high82.7Confident17 Ų1744.6 Ų44.67%0.06723%0.233CC..EExtended strand (participates in β ladder)trans-139.5151.4177.9-45.2-76.6000111.3I856 E862 V866 I882 K883 K884 F964 V965I856-Y1012 HydrophobicContact CD1-CD1 3.83Å; I856-Y1012 HydrophobicContact CD1-CE1 3.84Å; E862-Y1012 HydrophobicContact CG-CE1 4.05Å; E862-Y1012 WeakPolarHBondContact CG-OH 3.2Å; E862-Y1012 PolarHBondContact OE1-OH 3.14Å; V866-Y1012 HydrophobicContact CG1-CD2 4.37Å; V866-Y1012 HydrophobicContact CG2-CD2 3.72Å; V866-Y1012 HydrophobicContact CG2-CE1 4.36Å; V866-Y1012 HydrophobicContact CG2-CE2 3.46Å; V866-Y1012 VanDerWaalsContact CG2-CE2 3.46Å; V866-Y1012 HydrophobicContact CG2-CG 4.28Å; I882-Y1012 HydrophobicContact CG2-CD1 4.46Å; K883-Y1012 CarbonylContact O-C 3.47Å; K883-Y1012 VanDerWaalsContact O-CA 3.25Å; K883-Y1012 WeakPolarHBondContact O-CA 3.4Å; K884-Y1012 HydrophobicContact CB-CD1 4.23Å; K884-Y1012 HydrophobicContact CB-CE1 4.5Å; K884-Y1012 HydrophobicContact CD-CE1 4.38Å; K884-Y1012 HydrophobicContact CG-CD1 4.17Å; K884-Y1012 HydrophobicContact CG-CE1 4.07Å; F964-Y1012 CarbonylContact C-O 3.6Å; F964-Y1012 WeakPolarHBondContact CA-O 3.12Å; V965-Y1012 HydrophobicContact CB-CD2 3.99Å; V965-Y1012 HydrophobicContact CG1-CD2 4.06Å; V965-Y1012 PolarHBondContact N-O 2.95Å; V965-Y1012 PolarHBondContact O-N 3.24Å
1013V94.1Very high80.1Confident2 Ų250.2 Ų50.21%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-111.3128.4162.1-168.50000108.1L853 I882 K883 I885 V917 V962 F964L853-V1013 HydrophobicContact CD2-CG2 4.23Å; I882-V1013 CarbonylContact C-O 3.51Å; I882-V1013 WeakPolarHBondContact CA-O 3.31Å; K883-V1013 HydrophobicContact CB-CB 4.49Å; K883-V1013 PolarHBondContact N-O 3.14Å; K883-V1013 PolarHBondContact O-N 3.13Å; I885-V1013 HydrophobicContact CD1-CG2 3.73Å; I885-V1013 HydrophobicContact CG1-CG2 4.01Å; V917-V1013 HydrophobicContact CG1-CG2 4.36Å; V917-V1013 HydrophobicContact CG2-CG1 4.48Å; V962-V1013 HydrophobicContact CB-CG1 3.88Å; V962-V1013 HydrophobicContact CG1-CG1 4.38Å; V962-V1013 HydrophobicContact CG2-CG1 4.15Å; F964-V1013 HydrophobicContact CD1-CG2 4.13Å; F964-V1013 HydrophobicContact CE1-CG2 3.71Å; F964-V1013 HydrophobicContact CE2-CG2 4.36Å; F964-V1013 HydrophobicContact CZ-CG2 3.83Å
1014I93.1Very high78.1Confident0 Ų054.7 Ų54.70%030%0.301CS..EExtended strand (participates in β ladder)trans-106.4121.9173.2-52.2175.1000107.9V866 F870 I879 I882 M963 V965 Y1016V866-I1014 HydrophobicContact CG1-CD1 3.72Å; V866-I1014 HydrophobicContact CG1-CG1 4.2Å; F870-I1014 HydrophobicContact CB-CD1 4.11Å; F870-I1014 HydrophobicContact CD2-CD1 3.83Å; F870-I1014 HydrophobicContact CG-CD1 4.16Å; I879-I1014 HydrophobicContact CD1-CG2 4.22Å; I879-I1014 HydrophobicContact CG1-CG2 4.14Å; I879-I1014 HydrophobicContact CG2-CG2 3.82Å; I882-I1014 HydrophobicContact CG1-CG1 4.3Å; I882-I1014 HydrophobicContact CG1-CG2 4.34Å; I882-I1014 HydrophobicContact CG2-CG1 4.45Å; M963-I1014 HydrophobicContact CB-CB 4.23Å; M963-I1014 PolarHBondContact N-O 3.21Å; M963-I1014 WeakPolarHBondContact O-CB 3.43Å; M963-I1014 PolarHBondContact O-N 3.44Å; V965-I1014 HydrophobicContact CG2-CD1 3.75Å; V965-I1014 HydrophobicContact CG2-CG1 4.33Å; I1014-Y1016 HydrophobicContact CG2-CD1 4.46Å
1015E91.3Very high76Confident22 Ų2258.5 Ų58.510%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-97.7127.8167.9-70.1167.6170.600107.6E880 K881 K883 V962E880-E1015 PolarHBondContact N-O 2.83Å; K881-E1015 HydrophobicContact CB-CB 4.26Å; K881-E1015 WeakPolarHBondContact CD-OE2 2.89Å; K881-E1015 PolarHBondContact N-O 3.38Å; K881-E1015 PolarHBondContact O-N 3.46Å; K883-E1015 VanDerWaalsContact CE-OE2 3.24Å; K883-E1015 WeakPolarHBondContact CE-OE2 3.33Å; K883-E1015 IonicContact NZ-OE1 3.83Å; K883-E1015 PolarHBondContact NZ-OE1 3.42Å; K883-E1015 IonicContact NZ-OE2 3.96Å; K883-E1015 PolarHBondContact NZ-OE2 3.23Å; V962-E1015 HydrophobicContact CG1-CG 4.05Å
1016Y90.2Very high73.8Confident10 Ų1062.6 Ų62.64%0.03936%0.362CS..EExtended strand (participates in β ladder)trans-150155.5-171.468.1-79000110.8F870 M874 F877 K878 H951 I961 M963 I1014F870-Y1016 HydrophobicContact CE1-CG 4.43Å; F870-Y1016 HydrophobicContact CE2-CD1 4.29Å; F870-Y1016 HydrophobicContact CE2-CE1 4.48Å; F870-Y1016 HydrophobicContact CE2-CG 4.39Å; F870-Y1016 AromaticContact CZ-CD1 3.99Å; F870-Y1016 HydrophobicContact CZ-CD1 3.99Å; F870-Y1016 AromaticContact CZ-CD2 3.75Å; F870-Y1016 HydrophobicContact CZ-CD2 3.75Å; F870-Y1016 HydrophobicContact CZ-CE1 4.42Å; F870-Y1016 HydrophobicContact CZ-CE2 4.16Å; F870-Y1016 AromaticContact CZ-CG 3.65Å; F870-Y1016 HydrophobicContact CZ-CG 3.65Å; M874-Y1016 HydrophobicContact CE-CD2 4.05Å; M874-Y1016 HydrophobicContact CE-CE2 3.42Å; M874-Y1016 VanDerWaalsContact CE-CE2 3.42Å; F877-Y1016 HydrophobicContact CB-CD2 4.09Å; F877-Y1016 AromaticContact CD1-CD2 3.78Å; F877-Y1016 HydrophobicContact CD1-CD2 3.78Å; F877-Y1016 AromaticContact CD1-CE2 3.93Å; F877-Y1016 HydrophobicContact CD1-CE2 3.93Å; F877-Y1016 HydrophobicContact CE1-CE2 4.28Å; F877-Y1016 HydrophobicContact CG-CD2 4.13Å; F877-Y1016 HydrophobicContact CG-CE2 4.4Å; K878-Y1016 CarbonylContact O-C 3.56Å; K878-Y1016 VanDerWaalsContact O-CA 3.22Å; K878-Y1016 WeakPolarHBondContact O-CA 3.37Å; K878-Y1016 WeakPolarHBondContact O-CB 3.47Å; H951-Y1016 AromaticContact ND1-CE2 3.71Å; H951-Y1016 AromaticContact ND1-CZ 3.75Å; H951-Y1016 PolarHBondContact ND1-OH 2.98Å; I961-Y1016 HydrophobicContact CG2-CE1 4.29Å; I961-Y1016 VanDerWaalsContact CG2-OH 3.22Å; I961-Y1016 WeakPolarHBondContact CG2-OH 3.31Å; M963-Y1016 HydrophobicContact CB-CD1 4.19Å; M963-Y1016 HydrophobicContact CB-CE1 3.69Å; I1014-Y1016 HydrophobicContact CG2-CD1 4.46Å
1017T87.1Confident73.1Confident47 Ų4763 Ų6329%0.28837%0.366SS..EExtended strand (participates in β ladder)trans-131.8159.1177.7340000110.4F877 K878 E880 A1019F877-T1017 CarbonylContact C-O 3.56Å; F877-T1017 WeakPolarHBondContact CA-O 3.15Å; K878-T1017 PolarHBondContact N-O 2.83Å; K878-T1017 PolarHBondContact O-N 3.22Å; E880-T1017 WeakPolarHBondContact CG-OG1 3.18Å; E880-T1017 WeakPolarHBondContact OE1-CG2 3.46Å; E880-T1017 PolarHBondContact OE1-OG1 3.12Å; T1017-A1019 PolarHBondContact O-N 3.45Å
1018D82.1Confident72.3Confident83 Ų8366.1 Ų66.144%0.44438%0.384SS..EExtended strand (participates in β ladder)trans-54.6132.6164.4-86.2-67.6000108.7F877 D1020F877-D1018 WeakPolarHBondContact CE1-OD1 3.47Å; D1018-D1020 PolarHBondContact O-N 3.24Å
1019A67.4Low71.3Confident48 Ų4869.7 Ų69.740%0.39741%0.405SS..  trans-67.8132.1167.700000108.3N876 K878 T1017 K1021N876-A1019 VanDerWaalsContact O-CB 3.27Å; N876-A1019 WeakPolarHBondContact O-CB 3.49Å; N876-A1019 PolarHBondContact O-N 3.06Å; K878-A1019 HydrophobicContact CB-CB 4.48Å; T1017-A1019 PolarHBondContact O-N 3.45Å; A1019-K1021 PolarHBondContact O-N 2.89Å
1020D52Low70Confident149 Ų14973.5 Ų73.580%0.79743%0.428SS*.  trans-48.9111.4-170.6-63.2-71.9000112D1018 P1022D1018-D1020 PolarHBondContact O-N 3.24Å; D1020-P1022 WeakPolarHBondContact O-CD 3.41Å
1021K51.6Low68.6Low167 Ų16778.1 Ų78.173%0.72645%0.454SS*.  trans-60.2122.1164.9-69.5174.3-176.2166.70106.1A1019 C1023A1019-K1021 PolarHBondContact O-N 2.89Å; K1021-C1023 PolarHBondContact O-N 2.87Å; K1021-C1023 VanDerWaalsContact O-N 3.09Å
1022P41Very low67Low112 Ų11282.5 Ų82.573%0.72748%0.481SS*.  trans-56.4123.8175.124-32.9000107.8D1020 V1024D1020-P1022 WeakPolarHBondContact O-CD 3.41Å; P1022-V1024 PolarHBondContact O-N 2.9Å
1023C37.3Very low65.1Low119 Ų11987.2 Ų87.280%0.80451%0.511SS*.  trans-66.496.1-173.2-61.40000110K1021 I1025K1021-C1023 PolarHBondContact O-N 2.87Å; K1021-C1023 VanDerWaalsContact O-N 3.09Å; C1023-I1025 PolarHBondContact O-N 2.79Å
1024V44Very low62.9Low126 Ų12693.8 Ų93.876%0.76455%0.549SS*.  trans-69.389.7163.3-177.70000106.6P1022 S1026P1022-V1024 PolarHBondContact O-N 2.9Å; V1024-S1026 PolarHBondContact O-N 2.73Å; V1024-S1026 PolarHBondContact O-OG 2.74Å
1025I41.9Very low60.4Low161 Ų161101.6 Ų101.683%0.82660%0.595SS**  trans-55.8126.1166.7-57.5174.6000106.5C1023C1023-I1025 PolarHBondContact O-N 2.79Å
1026S38.6Very low57.6Low175 Ų175108.8 Ų108.8100%1.22464%0.64SS**  trans-115.80180-53.50000109V1024V1024-S1026 PolarHBondContact O-N 2.73Å; V1024-S1026 PolarHBondContact O-OG 2.74Å

Retrieved 1,026 of 1,026 residues in 1961.7 ms (Link to these results)

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