A0A3Q0KQJ9_SCHMA Loading...

Serpin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KQJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 387 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
1M69.1Low88.2Confident105 Ų10536.8 Ų36.852%0.51719%0.189SC..  0139.80-64.4-174.9-58.300107.7A3 S4 E73 L77M1-A3 VanDerWaalsContact C-N 3.33Å; M1-S4 PolarHBondContact O-N 3.15Å; M1-E73 WeakPolarHBondContact CB-OE2 3.07Å; M1-L77 HydrophobicContact CE-CD1 4.46Å; M1-L77 HydrophobicContact CE-CD2 3.41Å; M1-L77 VanDerWaalsContact CE-CD2 3.41Å; M1-L77 HydrophobicContact CE-CG 3.79Å
2E79.6Confident88.5Confident63 Ų6336.4 Ų36.429%0.29419%0.187SC..Hα-helixtrans-66.8-41.1178.7-170.488.5144.800109.9S4 K5 S6 S62 L65 E73E2-S4 PolarHBondContact O-N 3.39Å; E2-S4 VanDerWaalsContact O-N 3.1Å; E2-K5 WeakPolarHBondContact O-CA 2.85Å; E2-K5 WeakPolarHBondContact O-CB 3.33Å; E2-K5 PolarHBondContact O-N 2.77Å; E2-S6 PolarHBondContact O-N 3.07Å; E2-S6 PolarHBondContact O-OG 3.25Å; E2-S62 VanDerWaalsContact OE1-CB 3.22Å; E2-S62 WeakPolarHBondContact OE1-CB 3.38Å; E2-S62 PolarHBondContact OE1-OG 3.25Å; E2-L65 HydrophobicContact CB-CD1 3.62Å; E2-L65 HydrophobicContact CG-CD1 3.49Å; E2-L65 VanDerWaalsContact CG-CD1 3.49Å; E2-E73 PolarHBondContact N-OE2 3.19Å
3A85.2Confident88.8Confident1 Ų140 Ų401%0.00820%0.197CC..Hα-helixtrans-55.3-33.517900000112.7M1 S6 L7 E73 I74 L77M1-A3 VanDerWaalsContact C-N 3.33Å; A3-S6 VanDerWaalsContact CA-OG 3.29Å; A3-S6 WeakPolarHBondContact CA-OG 3.15Å; A3-S6 PolarHBondContact O-OG 3.37Å; A3-S6 VanDerWaalsContact O-OG 3.1Å; A3-L7 WeakPolarHBondContact O-CB 3.26Å; A3-L7 PolarHBondContact O-N 3.28Å; A3-E73 HydrophobicContact CB-CB 3.58Å; A3-E73 VanDerWaalsContact CB-OE2 3.3Å; A3-E73 WeakPolarHBondContact CB-OE2 3.34Å; A3-E73 PolarHBondContact N-OE2 3.43Å; A3-I74 HydrophobicContact CB-CG1 4.48Å; A3-L77 HydrophobicContact CB-CD1 3.98Å
4S87.2Confident89.2Confident21 Ų2137.1 Ų37.115%0.14718%0.183CC..Hα-helixtrans-67.6-41.6174.1-59.10000112.2M1 E2 T8M1-S4 PolarHBondContact O-N 3.15Å; E2-S4 PolarHBondContact O-N 3.39Å; E2-S4 VanDerWaalsContact O-N 3.1Å; S4-T8 PolarHBondContact O-N 3.27Å; S4-T8 VanDerWaalsContact O-N 3.09Å; S4-T8 PolarHBondContact O-OG1 3.4Å; S4-T8 VanDerWaalsContact O-OG1 3.06Å
5K89.5Confident89.4Confident141 Ų14135.2 Ų35.261%0.61317%0.173SC*.Hα-helixtrans-71.1-43.3179.1-65.9179-179.7174.50111.5E2 T8 S9E2-K5 WeakPolarHBondContact O-CA 2.85Å; E2-K5 WeakPolarHBondContact O-CB 3.33Å; E2-K5 PolarHBondContact O-N 2.77Å; K5-T8 PolarHBondContact O-N 3.17Å; K5-S9 PolarHBondContact O-N 3.18Å; K5-S9 PolarHBondContact O-OG 3.5Å
6S92.1Very high89.4Confident3 Ų335.9 Ų35.92%0.02118%0.176CC..Hα-helixtrans-66.7-40.5177.2630000110.9E2 A3 T8 S9 F10 Y37 Q60E2-S6 PolarHBondContact O-N 3.07Å; E2-S6 PolarHBondContact O-OG 3.25Å; A3-S6 VanDerWaalsContact CA-OG 3.29Å; A3-S6 WeakPolarHBondContact CA-OG 3.15Å; A3-S6 PolarHBondContact O-OG 3.37Å; A3-S6 VanDerWaalsContact O-OG 3.1Å; S6-T8 PolarHBondContact O-N 2.99Å; S6-S9 PolarHBondContact O-N 3.46Å; S6-F10 WeakPolarHBondContact O-CB 3.21Å; S6-F10 PolarHBondContact O-N 2.63Å; S6-Y37 PolarHBondContact OG-OH 2.69Å; S6-Q60 WeakPolarHBondContact CB-O 3.46Å
7L93.5Very high89.5Confident1 Ų135.6 Ų35.61%0.00517%0.174CC..Hα-helixtrans-57.6-48.1172.6168.361.6000111.6A3 F10 T11 F34 Y37 L374A3-L7 WeakPolarHBondContact O-CB 3.26Å; A3-L7 PolarHBondContact O-N 3.28Å; L7-F10 PolarHBondContact O-N 2.98Å; L7-T11 VanDerWaalsContact O-CB 3.28Å; L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 PolarHBondContact O-OG1 3.47Å; L7-F34 HydrophobicContact CD2-CB 4.47Å; L7-F34 HydrophobicContact CD2-CD2 3.52Å; L7-F34 HydrophobicContact CD2-CE2 4.16Å; L7-F34 HydrophobicContact CD2-CG 4.38Å; L7-Y37 HydrophobicContact CB-CD1 4.38Å; L7-Y37 HydrophobicContact CB-CD2 4.41Å; L7-Y37 HydrophobicContact CB-CE1 4.42Å; L7-Y37 HydrophobicContact CB-CE2 4.43Å; L7-Y37 HydrophobicContact CB-CG 4.38Å; L7-Y37 HydrophobicContact CD1-CD1 4.19Å; L7-Y37 HydrophobicContact CD1-CD2 4.03Å; L7-Y37 HydrophobicContact CD1-CG 3.66Å; L7-L374 HydrophobicContact CD2-CD2 4.27Å
8T92.7Very high89.6Confident17 Ų1734.1 Ų34.110%0.10417%0.167CC..Hα-helixtrans-60.9-46177.9-67.90000111.4S4 K5 S6 F10 T11 D12 S257S4-T8 PolarHBondContact O-N 3.27Å; S4-T8 VanDerWaalsContact O-N 3.09Å; S4-T8 PolarHBondContact O-OG1 3.4Å; S4-T8 VanDerWaalsContact O-OG1 3.06Å; K5-T8 PolarHBondContact O-N 3.17Å; S6-T8 PolarHBondContact O-N 2.99Å; T8-F10 PolarHBondContact O-N 3Å; T8-T11 VanDerWaalsContact O-CB 3.32Å; T8-T11 WeakPolarHBondContact O-CB 3.45Å; T8-T11 PolarHBondContact O-N 3.19Å; T8-T11 VanDerWaalsContact O-N 3.15Å; T8-D12 PolarHBondContact O-N 3.02Å; T8-D12 VanDerWaalsContact O-N 3.07Å; T8-S257 WeakPolarHBondContact CG2-OG 3.34Å
9S92.4Very high89.5Confident52 Ų5233.2 Ų33.236%0.36416%0.163SC..Hα-helixtrans-64.9-41.7179-540000112K5 S6 T11 R13K5-S9 PolarHBondContact O-N 3.18Å; K5-S9 PolarHBondContact O-OG 3.5Å; S6-S9 PolarHBondContact O-N 3.46Å; S9-T11 VanDerWaalsContact C-N 3.32Å; S9-R13 WeakPolarHBondContact O-CG 3.48Å; S9-R13 PolarHBondContact O-N 3.23Å
10F94.4Very high89.4Confident1 Ų136.1 Ų36.10%0.00418%0.179CC..Hα-helixtrans-59.9-43.7171.8169.3-98.6000110.8S6 L7 T8 D12 R13 F14 I36 Y37 L40 A58 L293S6-F10 WeakPolarHBondContact O-CB 3.21Å; S6-F10 PolarHBondContact O-N 2.63Å; L7-F10 PolarHBondContact O-N 2.98Å; T8-F10 PolarHBondContact O-N 3Å; F10-D12 PolarHBondContact O-N 3.31Å; F10-R13 PolarHBondContact O-N 3.15Å; F10-F14 HydrophobicContact CD1-CB 4.44Å; F10-F14 HydrophobicContact CE1-CB 4.08Å; F10-F14 HydrophobicContact CE1-CD2 4.47Å; F10-F14 HydrophobicContact CE1-CG 4.2Å; F10-F14 HydrophobicContact CE2-CB 4.17Å; F10-F14 HydrophobicContact CE2-CD2 4.19Å; F10-F14 HydrophobicContact CE2-CG 4.46Å; F10-F14 HydrophobicContact CZ-CB 3.92Å; F10-F14 AromaticContact CZ-CD2 3.73Å; F10-F14 HydrophobicContact CZ-CD2 3.73Å; F10-F14 AromaticContact CZ-CG 3.89Å; F10-F14 HydrophobicContact CZ-CG 3.89Å; F10-F14 WeakPolarHBondContact O-CA 3.46Å; F10-F14 WeakPolarHBondContact O-CB 3.45Å; F10-F14 PolarHBondContact O-N 3.33Å; F10-I36 HydrophobicContact CE1-CG2 4.13Å; F10-I36 HydrophobicContact CZ-CG2 3.92Å; F10-Y37 HydrophobicContact CB-CD2 3.96Å; F10-Y37 HydrophobicContact CB-CE2 4.14Å; F10-Y37 AromaticContact CD1-CD2 3.67Å; F10-Y37 HydrophobicContact CD1-CD2 3.67Å; F10-Y37 HydrophobicContact CD1-CG 4.4Å; F10-Y37 HydrophobicContact CE1-CD2 4.32Å; F10-Y37 AromaticContact CG-CD2 3.79Å; F10-Y37 HydrophobicContact CG-CD2 3.79Å; F10-Y37 HydrophobicContact CG-CE2 4.36Å; F10-L40 HydrophobicContact CE1-CD1 4.44Å; F10-L40 HydrophobicContact CE2-CD1 3.6Å; F10-L40 HydrophobicContact CZ-CD1 3.52Å; F10-A58 WeakPolarHBondContact CD2-O 3.34Å; F10-L293 HydrophobicContact CE2-CD1 4.25Å
11T94.3Very high89.1Confident0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-59.1-49.5-178.9-64.60000111.5L7 T8 S9 F14 Y15 P33 P375 L378L7-T11 VanDerWaalsContact O-CB 3.28Å; L7-T11 WeakPolarHBondContact O-CB 3.24Å; L7-T11 PolarHBondContact O-N 3.15Å; L7-T11 PolarHBondContact O-OG1 3.47Å; T8-T11 VanDerWaalsContact O-CB 3.32Å; T8-T11 WeakPolarHBondContact O-CB 3.45Å; T8-T11 PolarHBondContact O-N 3.19Å; T8-T11 VanDerWaalsContact O-N 3.15Å; S9-T11 VanDerWaalsContact C-N 3.32Å; T11-F14 PolarHBondContact O-N 2.82Å; T11-Y15 WeakPolarHBondContact O-CB 3.21Å; T11-Y15 PolarHBondContact O-N 3.11Å; T11-P33 HydrophobicContact CG2-CB 3.65Å; T11-P33 HydrophobicContact CG2-CG 3.52Å; T11-P33 VanDerWaalsContact OG1-CB 3.24Å; T11-P33 WeakPolarHBondContact OG1-CB 2.95Å; T11-P375 HydrophobicContact CG2-CB 4.44Å; T11-P375 HydrophobicContact CG2-CG 3.82Å; T11-L378 HydrophobicContact CG2-CD2 3.3Å; T11-L378 HydrophobicContact CG2-CG 4.5Å
12D92.5Very high89.5Confident32 Ų3232.5 Ų32.517%0.17116%0.163CC..Hα-helixtrans-63.2-45.7-179.6-70-35.7000111.1T8 F10 E16 G255 I256T8-D12 PolarHBondContact O-N 3.02Å; T8-D12 VanDerWaalsContact O-N 3.07Å; F10-D12 PolarHBondContact O-N 3.31Å; D12-E16 WeakPolarHBondContact O-CB 3.35Å; D12-E16 PolarHBondContact O-N 3.41Å; D12-E16 VanDerWaalsContact O-N 3.12Å; D12-G255 WeakPolarHBondContact OD1-CA 3.4Å; D12-I256 PolarHBondContact OD1-N 3.45Å; D12-I256 VanDerWaalsContact OD1-N 3.08Å
13R92.7Very high89.2Confident83 Ų8337.4 Ų37.431%0.31319%0.186SC..Hα-helixtrans-66.5-42.1177.4-70.3-172.267.7-154.3-8.7113.2S9 F10 Q17 L293S9-R13 WeakPolarHBondContact O-CG 3.48Å; S9-R13 PolarHBondContact O-N 3.23Å; F10-R13 PolarHBondContact O-N 3.15Å; R13-Q17 PolarHBondContact O-N 2.78Å; R13-L293 HydrophobicContact CB-CD2 4.49Å
14F93.6Very high88.5Confident0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-66.5-45.6-178.9179.1-96.1000110.4F10 T11 E16 Q17 I18 L31 I36 L286 H289 L290 L293F10-F14 HydrophobicContact CD1-CB 4.44Å; F10-F14 HydrophobicContact CE1-CB 4.08Å; F10-F14 HydrophobicContact CE1-CD2 4.47Å; F10-F14 HydrophobicContact CE1-CG 4.2Å; F10-F14 HydrophobicContact CE2-CB 4.17Å; F10-F14 HydrophobicContact CE2-CD2 4.19Å; F10-F14 HydrophobicContact CE2-CG 4.46Å; F10-F14 HydrophobicContact CZ-CB 3.92Å; F10-F14 AromaticContact CZ-CD2 3.73Å; F10-F14 HydrophobicContact CZ-CD2 3.73Å; F10-F14 AromaticContact CZ-CG 3.89Å; F10-F14 HydrophobicContact CZ-CG 3.89Å; F10-F14 WeakPolarHBondContact O-CA 3.46Å; F10-F14 WeakPolarHBondContact O-CB 3.45Å; F10-F14 PolarHBondContact O-N 3.33Å; T11-F14 PolarHBondContact O-N 2.82Å; F14-E16 PolarHBondContact O-N 2.79Å; F14-Q17 WeakPolarHBondContact O-CB 3.4Å; F14-Q17 PolarHBondContact O-N 2.97Å; F14-I18 HydrophobicContact CD1-CG1 4.26Å; F14-I18 HydrophobicContact CE1-CD1 4.13Å; F14-I18 HydrophobicContact CE1-CG1 3.83Å; F14-I18 HydrophobicContact CZ-CD1 3.9Å; F14-I18 HydrophobicContact CZ-CG1 4.09Å; F14-I18 WeakPolarHBondContact O-CG1 3.45Å; F14-I18 PolarHBondContact O-N 3.17Å; F14-L31 HydrophobicContact CD1-CD1 4.24Å; F14-L31 HydrophobicContact CE1-CD1 4Å; F14-L31 HydrophobicContact CE1-CD2 4.03Å; F14-I36 HydrophobicContact CD1-CD1 4.43Å; F14-I36 HydrophobicContact CE1-CD1 3.58Å; F14-I36 HydrophobicContact CZ-CD1 3.78Å; F14-I36 HydrophobicContact CZ-CG2 4.5Å; F14-L286 HydrophobicContact CZ-CD1 4.22Å; F14-L286 HydrophobicContact CZ-CD2 3.86Å; F14-H289 HydrophobicContact CE2-CB 4.31Å; F14-L290 HydrophobicContact CD2-CD2 4.33Å; F14-L290 HydrophobicContact CE2-CD2 4.05Å; F14-L293 HydrophobicContact CB-CD1 4.21Å; F14-L293 HydrophobicContact CD2-CD1 3.51Å; F14-L293 HydrophobicContact CE2-CD1 4.36Å; F14-L293 HydrophobicContact CG-CD1 4.33Å
15Y92.2Very high88Confident8 Ų846.2 Ų46.23%0.03124%0.239CC..Hα-helixtrans-64.8-41.8178.8-171.1-123.8000111.6T11 Q17 I18 L19 T29 L31 L247 M250 F365 L378 H380T11-Y15 WeakPolarHBondContact O-CB 3.21Å; T11-Y15 PolarHBondContact O-N 3.11Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 2.87Å; Y15-I18 WeakPolarHBondContact O-CB 3.22Å; Y15-I18 PolarHBondContact O-N 2.8Å; Y15-I18 VanDerWaalsContact O-N 3.08Å; Y15-L19 HydrophobicContact CD1-CD1 4.12Å; Y15-L19 HydrophobicContact CD1-CG 4.35Å; Y15-L19 HydrophobicContact CE1-CD1 3.88Å; Y15-L19 HydrophobicContact CE1-CD2 4.19Å; Y15-L19 HydrophobicContact CE1-CG 4.2Å; Y15-L19 HydrophobicContact CE2-CD2 4.04Å; Y15-L19 WeakPolarHBondContact O-CG 3.18Å; Y15-L19 PolarHBondContact O-N 3.42Å; Y15-T29 HydrophobicContact CE2-CG2 4.18Å; Y15-L31 HydrophobicContact CD2-CD2 4.48Å; Y15-L247 HydrophobicContact CE1-CD2 4.05Å; Y15-M250 HydrophobicContact CD1-CE 4.13Å; Y15-M250 HydrophobicContact CE1-CE 3.9Å; Y15-F365 HydrophobicContact CD1-CE2 4.46Å; Y15-F365 HydrophobicContact CE1-CD2 4.15Å; Y15-F365 AromaticContact CE1-CE2 3.63Å; Y15-F365 HydrophobicContact CE1-CE2 3.63Å; Y15-F365 AromaticContact CZ-CE2 3.9Å; Y15-L378 HydrophobicContact CD1-CD1 4.1Å; Y15-L378 HydrophobicContact CD2-CD1 3.18Å; Y15-L378 HydrophobicContact CE1-CD1 4.32Å; Y15-L378 HydrophobicContact CE2-CD1 3.45Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.45Å; Y15-L378 HydrophobicContact CG-CD1 3.52Å; Y15-H380 AromaticContact CZ-ND1 3.89Å; Y15-H380 PolarHBondContact OH-ND1 2.94Å
16E90.2Very high87.6Confident47 Ų4742 Ų4222%0.2222%0.219CC..Hα-helixtrans-53.7-45.6171.4-172.1-156.9-177.800111.9D12 F14 I18 L19 N20 Y251D12-E16 WeakPolarHBondContact O-CB 3.35Å; D12-E16 PolarHBondContact O-N 3.41Å; D12-E16 VanDerWaalsContact O-N 3.12Å; F14-E16 PolarHBondContact O-N 2.79Å; E16-I18 VanDerWaalsContact C-N 3.29Å; E16-I18 PolarHBondContact O-N 3.38Å; E16-L19 PolarHBondContact O-N 2.81Å; E16-L19 VanDerWaalsContact O-N 3.12Å; E16-N20 PolarHBondContact O-N 3.09Å; E16-N20 PolarHBondContact O-ND2 3.27Å; E16-Y251 HydrophobicContact CB-CD2 3.88Å; E16-Y251 HydrophobicContact CB-CE2 4.03Å; E16-Y251 HydrophobicContact CB-CG 4.49Å; E16-Y251 VanDerWaalsContact CD-OH 3.24Å; E16-Y251 HydrophobicContact CG-CD1 4.35Å; E16-Y251 HydrophobicContact CG-CD2 3.81Å; E16-Y251 HydrophobicContact CG-CE1 4.4Å; E16-Y251 HydrophobicContact CG-CE2 3.86Å; E16-Y251 HydrophobicContact CG-CG 4.04Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.43Å; E16-Y251 PolarHBondContact OE1-OH 2.82Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.36Å; E16-Y251 PolarHBondContact OE2-OH 3.28Å
17Q91.2Very high87.3Confident30 Ų3048.6 Ų48.614%0.1425%0.25CC..Hα-helixtrans-60-39.2177.8-176.853.254.800112.2R13 F14 Y15 E21 K292 L293R13-Q17 PolarHBondContact O-N 2.78Å; F14-Q17 WeakPolarHBondContact O-CB 3.4Å; F14-Q17 PolarHBondContact O-N 2.97Å; Y15-Q17 VanDerWaalsContact C-N 3.28Å; Y15-Q17 PolarHBondContact O-N 2.87Å; Q17-E21 PolarHBondContact NE2-OE1 3Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; Q17-K292 HydrophobicContact CG-CB 4.18Å; Q17-L293 HydrophobicContact CB-CD2 4.05Å; Q17-L293 HydrophobicContact CB-CG 4.43Å; Q17-L293 HydrophobicContact CG-CD2 4.33Å; Q17-L293 HydrophobicContact CG-CG 4.29Å
18I90.1Very high87.1Confident9 Ų950.2 Ų50.25%0.04626%0.259CS..Hα-helixtrans-63.4-46.2173.6-62.4-60.9000110.7F14 Y15 E16 N20 E21 S22 T29 L31 H289F14-I18 HydrophobicContact CD1-CG1 4.26Å; F14-I18 HydrophobicContact CE1-CD1 4.13Å; F14-I18 HydrophobicContact CE1-CG1 3.83Å; F14-I18 HydrophobicContact CZ-CD1 3.9Å; F14-I18 HydrophobicContact CZ-CG1 4.09Å; F14-I18 WeakPolarHBondContact O-CG1 3.45Å; F14-I18 PolarHBondContact O-N 3.17Å; Y15-I18 WeakPolarHBondContact O-CB 3.22Å; Y15-I18 PolarHBondContact O-N 2.8Å; Y15-I18 VanDerWaalsContact O-N 3.08Å; E16-I18 VanDerWaalsContact C-N 3.29Å; E16-I18 PolarHBondContact O-N 3.38Å; I18-N20 PolarHBondContact O-N 2.91Å; I18-E21 PolarHBondContact O-N 3.29Å; I18-S22 PolarHBondContact O-N 2.85Å; I18-S22 PolarHBondContact O-OG 2.88Å; I18-T29 HydrophobicContact CG2-CG2 4.22Å; I18-L31 HydrophobicContact CG1-CD2 4.11Å; I18-H289 HydrophobicContact CD1-CB 4.11Å; I18-H289 VanDerWaalsContact CD1-CG 3.5Å
19L88.6Confident87Confident17 Ų1750.3 Ų50.39%0.08926%0.259CS..Hα-helixtrans-64.4-39.3-177.9-62.4-172.7000113.2Y15 E16 E21 S22 W26 L247Y15-L19 HydrophobicContact CD1-CD1 4.12Å; Y15-L19 HydrophobicContact CD1-CG 4.35Å; Y15-L19 HydrophobicContact CE1-CD1 3.88Å; Y15-L19 HydrophobicContact CE1-CD2 4.19Å; Y15-L19 HydrophobicContact CE1-CG 4.2Å; Y15-L19 HydrophobicContact CE2-CD2 4.04Å; Y15-L19 WeakPolarHBondContact O-CG 3.18Å; Y15-L19 PolarHBondContact O-N 3.42Å; E16-L19 PolarHBondContact O-N 2.81Å; E16-L19 VanDerWaalsContact O-N 3.12Å; L19-E21 PolarHBondContact O-N 2.69Å; L19-S22 WeakPolarHBondContact O-CB 3.38Å; L19-S22 PolarHBondContact O-N 2.7Å; L19-W26 HydrophobicContact CD2-CZ3 3.88Å; L19-L247 HydrophobicContact CD1-CB 3.8Å; L19-L247 HydrophobicContact CD1-CD1 4.26Å; L19-L247 HydrophobicContact CD1-CD2 4.39Å; L19-L247 HydrophobicContact CD1-CG 4.37Å; L19-L247 HydrophobicContact CD2-CD1 4.23Å
20N87.5Confident86.9Confident90 Ų9048.9 Ų48.948%0.48125%0.246SC..Hα-helixtrans-63.7-22.4178.2-75-25.9000112.6E16 I18E16-N20 PolarHBondContact O-N 3.09Å; E16-N20 PolarHBondContact O-ND2 3.27Å; I18-N20 PolarHBondContact O-N 2.91Å
21E82.8Confident86.8Confident42 Ų4248.8 Ų48.820%0.19625%0.246CC..Hα-helixtrans-89.5-14.6178.3-69.7-173-149.400114.3Q17 I18 L19 H23 H289 K292Q17-E21 PolarHBondContact NE2-OE1 3Å; Q17-E21 WeakPolarHBondContact O-CG 3.36Å; I18-E21 PolarHBondContact O-N 3.29Å; L19-E21 PolarHBondContact O-N 2.69Å; E21-H23 PolarHBondContact O-CD2 2.78Å; E21-H23 PolarHBondContact O-N 3.03Å; E21-H23 VanDerWaalsContact O-N 3.14Å; E21-H289 IonicContact OE1-CE1 3.8Å; E21-H289 IonicContact OE1-CG 3.63Å; E21-H289 IonicContact OE1-ND1 3.28Å; E21-H289 PolarHBondContact OE1-ND1 2.92Å; E21-H289 IonicContact OE2-CE1 3.91Å; E21-H289 PolarHBondContact OE2-CE1 2.95Å; E21-H289 IonicContact OE2-ND1 2.65Å; E21-H289 PolarHBondContact OE2-ND1 3.23Å; E21-K292 VanDerWaalsContact OE1-CD 3.3Å; E21-K292 WeakPolarHBondContact OE1-CD 3.21Å; E21-K292 IonicContact OE1-NZ 2.79Å; E21-K292 PolarHBondContact OE1-NZ 2.87Å; E21-K292 IonicContact OE2-NZ 2.81Å; E21-K292 PolarHBondContact OE2-NZ 3.36Å
22S76.8Confident86.9Confident24 Ų2448.8 Ų48.817%0.16825%0.246CC..SBendtrans-65.1-14.9176.4-57.70000112.4I18 L19 G24 Q25I18-S22 PolarHBondContact O-N 2.85Å; I18-S22 PolarHBondContact O-OG 2.88Å; L19-S22 WeakPolarHBondContact O-CB 3.38Å; L19-S22 PolarHBondContact O-N 2.7Å; S22-G24 PolarHBondContact O-N 3.44Å; S22-Q25 WeakPolarHBondContact O-CA 3.48Å; S22-Q25 WeakPolarHBondContact O-CB 3.19Å; S22-Q25 PolarHBondContact O-N 2.67Å
23H73.7Confident87Confident167 Ų16747.3 Ų47.377%0.77324%0.238SC*.THydrogen-bonded Turntrans47.931.8177.1-64.7-64.5000114.3E21 Q25E21-H23 PolarHBondContact O-CD2 2.78Å; E21-H23 PolarHBondContact O-N 3.03Å; E21-H23 VanDerWaalsContact O-N 3.14Å; H23-Q25 VanDerWaalsContact C-N 3.3Å; H23-Q25 PolarHBondContact O-N 2.83Å
24G70.4Confident87.1Confident56 Ų5643.5 Ų43.558%0.57722%0.224SC*.THydrogen-bonded Turntrans81.7-3.2-176.600000115.5S22 W26S22-G24 PolarHBondContact O-N 3.44Å; G24-W26 PolarHBondContact O-N 3.35Å
25Q76.3Confident87.2Confident151 Ų15143.5 Ų43.571%0.70622%0.224SC*.  trans-86.993.7168.3-63.6-176.3-3.800109.3S22 H23 E27S22-Q25 WeakPolarHBondContact O-CA 3.48Å; S22-Q25 WeakPolarHBondContact O-CB 3.19Å; S22-Q25 PolarHBondContact O-N 2.67Å; H23-Q25 VanDerWaalsContact C-N 3.3Å; H23-Q25 PolarHBondContact O-N 2.83Å; Q25-E27 PolarHBondContact O-N 3.24Å
26W81.8Confident87.4Confident52 Ų5243.1 Ų43.120%0.19722%0.222CC..  trans-86.694.5-177.5-60.495.7000111L19 G24 L192 P244 L247 H380 T382L19-W26 HydrophobicContact CD2-CZ3 3.88Å; G24-W26 PolarHBondContact O-N 3.35Å; W26-L192 HydrophobicContact CB-CD1 3.54Å; W26-L192 HydrophobicContact CG-CD1 3.93Å; W26-P244 HydrophobicContact CZ2-CB 3.77Å; W26-P244 HydrophobicContact CZ2-CG 4.22Å; W26-L247 HydrophobicContact CE3-CD1 3.96Å; W26-L247 HydrophobicContact CH2-CB 4.5Å; W26-L247 HydrophobicContact CH2-CD1 3.94Å; W26-L247 HydrophobicContact CZ3-CD1 3.3Å; W26-H380 AromaticContact CE3-NE2 3.67Å; W26-T382 HydrophobicContact CB-CG2 3.8Å; W26-T382 VanDerWaalsContact O-CG2 3.31Å; W26-T382 WeakPolarHBondContact O-CG2 3.4Å; W26-T382 PolarHBondContact O-OG1 2.85Å
27E86.2Confident87.7Confident141 Ų14141 Ų4166%0.65921%0.212SC*.  trans-90.3158.9168.3-65.1-175.1171.500110.9Q25 T29 H380Q25-E27 PolarHBondContact O-N 3.24Å; E27-T29 PolarHBondContact O-N 2.89Å; E27-T29 VanDerWaalsContact O-N 3.12Å; E27-T29 PolarHBondContact O-OG1 2.91Å; E27-H380 PolarHBondContact O-NE2 2.77Å
28N89.8Confident88Confident36 Ų3639.7 Ų39.719%0.19321%0.206CC..  trans-53.1123.5169.4-74.9-14.2000109.8L278 H380 V381 T382 S383N28-L278 HydrophobicContact CB-CD2 4.14Å; N28-H380 WeakPolarHBondContact CA-O 3.17Å; N28-V381 WeakPolarHBondContact OD1-CA 3.22Å; N28-T382 PolarHBondContact OD1-N 2.9Å; N28-T382 PolarHBondContact OD1-OG1 2.75Å; N28-S383 PolarHBondContact ND2-O 2.95Å; N28-S383 PolarHBondContact OD1-N 3.31Å; N28-S383 VanDerWaalsContact OD1-N 3.12Å; N28-S383 PolarHBondContact OD1-O 3.37Å
29T89.8Confident88.3Confident19 Ų1939.2 Ų39.212%0.11720%0.204CC..EExtended strand (participates in β ladder)trans-117.4131.6176.2-61.50000108.5Y15 I18 E27 L31 G379 H380Y15-T29 HydrophobicContact CE2-CG2 4.18Å; I18-T29 HydrophobicContact CG2-CG2 4.22Å; E27-T29 PolarHBondContact O-N 2.89Å; E27-T29 VanDerWaalsContact O-N 3.12Å; E27-T29 PolarHBondContact O-OG1 2.91Å; T29-L31 HydrophobicContact CG2-CD2 4.04Å; T29-G379 CarbonylContact O-C 3.49Å; T29-G379 WeakPolarHBondContact O-CA 3.49Å; T29-H380 VanDerWaalsContact CB-CE1 3.41Å; T29-H380 WeakPolarHBondContact CB-CE1 3.42Å; T29-H380 PolarHBondContact N-O 2.89Å; T29-H380 PolarHBondContact O-N 2.89Å; T29-H380 PolarHBondContact OG1-CE1 2.69Å
30F90Very high88.7Confident21 Ų2138.5 Ų38.59%0.09220%0.2CC..EExtended strand (participates in β ladder)trans-148.4124.7171.5-167.5-107.7000110.4L278 A324 F326 I366 I368 F377F30-L278 HydrophobicContact CB-CB 4.07Å; F30-L278 HydrophobicContact CB-CD1 3.65Å; F30-L278 HydrophobicContact CB-CG 4.44Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.33Å; F30-L278 HydrophobicContact CG-CD1 3.73Å; F30-A324 HydrophobicContact CD1-CB 3.71Å; F30-A324 HydrophobicContact CE1-CB 3.98Å; F30-F326 HydrophobicContact CD1-CB 3.87Å; F30-F326 HydrophobicContact CE1-CB 3.18Å; F30-F326 HydrophobicContact CE1-CG 4.18Å; F30-F326 HydrophobicContact CE2-CB 4.02Å; F30-F326 HydrophobicContact CE2-CD1 4.06Å; F30-F326 HydrophobicContact CE2-CG 4.27Å; F30-F326 HydrophobicContact CZ-CB 3.24Å; F30-F326 HydrophobicContact CZ-CD1 4Å; F30-F326 AromaticContact CZ-CG 3.73Å; F30-F326 HydrophobicContact CZ-CG 3.73Å; F30-I366 HydrophobicContact CD2-CD1 3.88Å; F30-I366 HydrophobicContact CD2-CG1 4.34Å; F30-I366 HydrophobicContact CE2-CD1 3.85Å; F30-I366 HydrophobicContact CE2-CG1 4.35Å; F30-I368 HydrophobicContact CZ-CD1 4.25Å; F30-F377 HydrophobicContact CD1-CD1 4.46Å; F30-F377 HydrophobicContact CE1-CB 4.09Å; F30-F377 AromaticContact CE1-CD1 3.45Å; F30-F377 HydrophobicContact CE1-CD1 3.45Å; F30-F377 VanDerWaalsContact CE1-CD1 3.45Å; F30-F377 HydrophobicContact CE1-CE1 4.19Å; F30-F377 HydrophobicContact CE1-CG 4.07Å; F30-F377 HydrophobicContact CE2-CB 3.79Å; F30-F377 HydrophobicContact CZ-CB 3.35Å; F30-F377 AromaticContact CZ-CD1 3.6Å; F30-F377 HydrophobicContact CZ-CD1 3.6Å; F30-F377 AromaticContact CZ-CG 3.71Å; F30-F377 HydrophobicContact CZ-CG 3.71Å
31L93.1Very high89.1Confident0 Ų034.2 Ų34.20%018%0.177CC..EExtended strand (participates in β ladder)trans-148.1164.2-176.159.988.2000111.1F14 Y15 I18 T29 P33 I36 L284 H322 F377 L378F14-L31 HydrophobicContact CD1-CD1 4.24Å; F14-L31 HydrophobicContact CE1-CD1 4Å; F14-L31 HydrophobicContact CE1-CD2 4.03Å; Y15-L31 HydrophobicContact CD2-CD2 4.48Å; I18-L31 HydrophobicContact CG1-CD2 4.11Å; T29-L31 HydrophobicContact CG2-CD2 4.04Å; L31-P33 HydrophobicContact CD1-CB 4.44Å; L31-P33 HydrophobicContact CD1-CG 3.58Å; L31-P33 WeakPolarHBondContact O-CD 3.45Å; L31-I36 HydrophobicContact CD1-CD1 4.23Å; L31-L284 HydrophobicContact CB-CD1 4.24Å; L31-L284 HydrophobicContact CD2-CD1 4Å; L31-H322 VanDerWaalsContact CA-NE2 3.35Å; L31-H322 WeakPolarHBondContact CA-NE2 3.49Å; L31-H322 WeakPolarHBondContact CB-NE2 3.47Å; L31-F377 VanDerWaalsContact O-CA 3.31Å; L31-F377 WeakPolarHBondContact O-CA 3.34Å; L31-L378 HydrophobicContact CD1-CD1 3.91Å; L31-L378 HydrophobicContact CD1-CG 4.48Å; L31-L378 HydrophobicContact CG-CD1 4.21Å; L31-L378 PolarHBondContact N-O 3.39Å; L31-L378 PolarHBondContact O-N 3.37Å
32S95.2Very high89.8Confident0 Ų032.4 Ų32.40%017%0.169CC..  trans-111.795.1174.3-1790000109.9F34 N35 I36 H322 I376S32-F34 PolarHBondContact O-N 3.34Å; S32-N35 PolarHBondContact O-N 2.89Å; S32-N35 PolarHBondContact OG-N 3Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.41Å; S32-I36 PolarHBondContact O-N 3.42Å; S32-H322 PolarHBondContact N-CE1 3.06Å; S32-H322 PolarHBondContact N-NE2 3.29Å; S32-I376 VanDerWaalsContact CA-O 3.23Å; S32-I376 WeakPolarHBondContact CA-O 2.8Å; S32-I376 WeakPolarHBondContact CB-O 3.47Å; S32-I376 PolarHBondContact OG-O 3.34Å
33P94.8Very high90.8Very high0 Ų031.8 Ų31.80%016%0.164CC..Hα-helixtrans-59.6-35.2174.9-17.531000110.9T11 L31 N35 I36 Y37 L378T11-P33 HydrophobicContact CG2-CB 3.65Å; T11-P33 HydrophobicContact CG2-CG 3.52Å; T11-P33 VanDerWaalsContact OG1-CB 3.24Å; T11-P33 WeakPolarHBondContact OG1-CB 2.95Å; L31-P33 HydrophobicContact CD1-CB 4.44Å; L31-P33 HydrophobicContact CD1-CG 3.58Å; L31-P33 WeakPolarHBondContact O-CD 3.45Å; P33-N35 PolarHBondContact O-N 3.35Å; P33-I36 PolarHBondContact O-N 3.47Å; P33-Y37 WeakPolarHBondContact O-CB 3.18Å; P33-Y37 PolarHBondContact O-N 3.36Å; P33-L378 HydrophobicContact CG-CD1 4.23Å; P33-L378 HydrophobicContact CG-CD2 3.74Å; P33-L378 HydrophobicContact CG-CG 3.64Å
34F95.6Very high91.8Very high3 Ų324 Ų241%0.01313%0.128CC..Hα-helixtrans-53.6-53.5173.8-178.2-83000111.9L7 S32 Y37 T38 L77 L78 C81 L92 I376L7-F34 HydrophobicContact CD2-CB 4.47Å; L7-F34 HydrophobicContact CD2-CD2 3.52Å; L7-F34 HydrophobicContact CD2-CE2 4.16Å; L7-F34 HydrophobicContact CD2-CG 4.38Å; S32-F34 PolarHBondContact O-N 3.34Å; F34-Y37 WeakPolarHBondContact O-CB 3.28Å; F34-Y37 PolarHBondContact O-N 3.45Å; F34-T38 PolarHBondContact O-N 3.06Å; F34-T38 PolarHBondContact O-OG1 3.04Å; F34-L77 HydrophobicContact CE2-CB 4.01Å; F34-L77 HydrophobicContact CZ-CB 4.01Å; F34-L78 HydrophobicContact CE1-CD1 4.17Å; F34-C81 HydrophobicContact CZ-CB 4.11Å; F34-L92 HydrophobicContact CD1-CD1 4.04Å; F34-L92 HydrophobicContact CE1-CD1 3.64Å; F34-I376 HydrophobicContact CB-CB 4.48Å; F34-I376 HydrophobicContact CB-CD1 4.14Å; F34-I376 HydrophobicContact CB-CG2 4.09Å; F34-I376 HydrophobicContact CD1-CG2 4.47Å; F34-I376 HydrophobicContact CD2-CD1 3.39Å; F34-I376 HydrophobicContact CE2-CD1 3.9Å; F34-I376 HydrophobicContact CG-CD1 3.77Å; F34-I376 HydrophobicContact CG-CG2 4.25Å
35N95.6Very high93Very high0 Ų021.8 Ų21.80%010%0.104CC..Hα-helixtrans-76.4-30.4-176.7-160.254.9000113S32 P33 Y37 T38 A39 L92 N94 A167 T168 T169S32-N35 PolarHBondContact O-N 2.89Å; S32-N35 PolarHBondContact OG-N 3Å; P33-N35 PolarHBondContact O-N 3.35Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 PolarHBondContact O-N 3.24Å; N35-A39 WeakPolarHBondContact O-CB 3.43Å; N35-A39 PolarHBondContact O-N 3.3Å; N35-L92 HydrophobicContact CB-CD2 4.17Å; N35-N94 PolarHBondContact ND2-OD1 3.36Å; N35-N94 PolarHBondContact OD1-ND2 2.69Å; N35-N94 PolarHBondContact OD1-OD1 3.17Å; N35-A167 VanDerWaalsContact ND2-C 3.32Å; N35-A167 WeakPolarHBondContact ND2-CA 3.41Å; N35-T168 PolarHBondContact ND2-N 2.86Å; N35-T169 HydrophobicContact CB-CG2 3.21Å; N35-T169 VanDerWaalsContact ND2-CG2 3.26Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.26Å
36I96.7Very high93.9Very high0 Ų014.6 Ų14.60%07%0.07CC..Hα-helixtrans-60.7-45.6169.6-66.3168.2000109.5F10 F14 L31 S32 P33 T38 A39 L40 L286 H322F10-I36 HydrophobicContact CE1-CG2 4.13Å; F10-I36 HydrophobicContact CZ-CG2 3.92Å; F14-I36 HydrophobicContact CD1-CD1 4.43Å; F14-I36 HydrophobicContact CE1-CD1 3.58Å; F14-I36 HydrophobicContact CZ-CD1 3.78Å; F14-I36 HydrophobicContact CZ-CG2 4.5Å; L31-I36 HydrophobicContact CD1-CD1 4.23Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.41Å; S32-I36 PolarHBondContact O-N 3.42Å; P33-I36 PolarHBondContact O-N 3.47Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.42Å; I36-A39 WeakPolarHBondContact O-CB 3.47Å; I36-A39 PolarHBondContact O-N 2.91Å; I36-A39 VanDerWaalsContact O-N 3.15Å; I36-L40 HydrophobicContact CG2-CD1 4.34Å; I36-L40 HydrophobicContact CG2-CG 4.44Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-L286 HydrophobicContact CB-CD1 4.38Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.76Å; I36-L286 HydrophobicContact CG2-CD1 3.72Å; I36-H322 HydrophobicContact CD1-CB 4.31Å; I36-H322 HydrophobicContact CG1-CB 4.15Å
37Y96.7Very high94.5Very high3 Ų312.1 Ų12.11%0.0126%0.061CC..Hα-helixtrans-61.9-40.2176.4-171.9-88.3000112S6 L7 F10 P33 F34 N35 L40 G41 M59 L61 I74S6-Y37 PolarHBondContact OG-OH 2.69Å; L7-Y37 HydrophobicContact CB-CD1 4.38Å; L7-Y37 HydrophobicContact CB-CD2 4.41Å; L7-Y37 HydrophobicContact CB-CE1 4.42Å; L7-Y37 HydrophobicContact CB-CE2 4.43Å; L7-Y37 HydrophobicContact CB-CG 4.38Å; L7-Y37 HydrophobicContact CD1-CD1 4.19Å; L7-Y37 HydrophobicContact CD1-CD2 4.03Å; L7-Y37 HydrophobicContact CD1-CG 3.66Å; F10-Y37 HydrophobicContact CB-CD2 3.96Å; F10-Y37 HydrophobicContact CB-CE2 4.14Å; F10-Y37 AromaticContact CD1-CD2 3.67Å; F10-Y37 HydrophobicContact CD1-CD2 3.67Å; F10-Y37 HydrophobicContact CD1-CG 4.4Å; F10-Y37 HydrophobicContact CE1-CD2 4.32Å; F10-Y37 AromaticContact CG-CD2 3.79Å; F10-Y37 HydrophobicContact CG-CD2 3.79Å; F10-Y37 HydrophobicContact CG-CE2 4.36Å; P33-Y37 WeakPolarHBondContact O-CB 3.18Å; P33-Y37 PolarHBondContact O-N 3.36Å; F34-Y37 WeakPolarHBondContact O-CB 3.28Å; F34-Y37 PolarHBondContact O-N 3.45Å; N35-Y37 VanDerWaalsContact C-N 3.31Å; Y37-L40 PolarHBondContact O-N 3.05Å; Y37-G41 PolarHBondContact O-N 2.77Å; Y37-M59 HydrophobicContact CD1-CE 4.12Å; Y37-M59 HydrophobicContact CD2-CE 3.98Å; Y37-M59 HydrophobicContact CE1-CE 3.8Å; Y37-M59 HydrophobicContact CE2-CB 3.89Å; Y37-M59 HydrophobicContact CE2-CE 3.66Å; Y37-M59 HydrophobicContact CE2-CG 4.3Å; Y37-M59 WeakPolarHBondContact CE2-O 3.44Å; Y37-M59 HydrophobicContact CG-CE 4.19Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.39Å; Y37-I74 HydrophobicContact CD1-CD1 4.22Å; Y37-I74 HydrophobicContact CD1-CG1 4.35Å; Y37-I74 HydrophobicContact CE1-CD1 3.73Å; Y37-I74 HydrophobicContact CE1-CG1 3.86Å
38T96.3Very high94.9Very high2 Ų28 Ų81%0.0124%0.041CC..Hα-helixtrans-59-46.3171.3-53.60000111.7F34 N35 I36 L40 G41 M42 I74 L78 Y116F34-T38 PolarHBondContact O-N 3.06Å; F34-T38 PolarHBondContact O-OG1 3.04Å; N35-T38 WeakPolarHBondContact O-CB 3.39Å; N35-T38 PolarHBondContact O-N 3.24Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.42Å; T38-L40 PolarHBondContact O-N 2.98Å; T38-G41 WeakPolarHBondContact O-CA 3.36Å; T38-G41 PolarHBondContact O-N 3.26Å; T38-G41 VanDerWaalsContact O-N 3.1Å; T38-M42 PolarHBondContact O-N 3.1Å; T38-M42 VanDerWaalsContact O-N 3.11Å; T38-I74 HydrophobicContact CG2-CG2 4.15Å; T38-L78 HydrophobicContact CG2-CD1 4.29Å; T38-L78 HydrophobicContact CG2-CD2 4.06Å; T38-Y116 HydrophobicContact CG2-CD1 3.73Å; T38-Y116 HydrophobicContact CG2-CE1 4.49Å
39A97.2Very high95.1Very high0 Ų011.6 Ų11.60%06%0.061CC..Hα-helixtrans-64.3-38.5177.400000112.5N35 I36 G41 M42 V43 V165 A167N35-A39 WeakPolarHBondContact O-CB 3.43Å; N35-A39 PolarHBondContact O-N 3.3Å; I36-A39 WeakPolarHBondContact O-CB 3.47Å; I36-A39 PolarHBondContact O-N 2.91Å; I36-A39 VanDerWaalsContact O-N 3.15Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.32Å; A39-M42 WeakPolarHBondContact O-CB 3.49Å; A39-M42 PolarHBondContact O-N 3.42Å; A39-V43 PolarHBondContact O-N 3.07Å; A39-V165 HydrophobicContact CB-CG1 3.82Å; A39-A167 HydrophobicContact CB-CB 3.71Å
40L97.1Very high95.4Very high2 Ų215 Ų151%0.018%0.078CC..Hα-helixtrans-65.8-33.8171.3-66.4-179.9000111.8F10 I36 Y37 T38 M42 V43 L44 M55 M59 L290 I295F10-L40 HydrophobicContact CE1-CD1 4.44Å; F10-L40 HydrophobicContact CE2-CD1 3.6Å; F10-L40 HydrophobicContact CZ-CD1 3.52Å; I36-L40 HydrophobicContact CG2-CD1 4.34Å; I36-L40 HydrophobicContact CG2-CG 4.44Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.38Å; Y37-L40 PolarHBondContact O-N 3.05Å; T38-L40 PolarHBondContact O-N 2.98Å; L40-M42 VanDerWaalsContact C-N 3.3Å; L40-M42 PolarHBondContact O-N 3.39Å; L40-V43 PolarHBondContact O-N 3.37Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 PolarHBondContact O-N 3.37Å; L40-M55 HydrophobicContact CB-CE 3.84Å; L40-M55 HydrophobicContact CD2-CE 3.97Å; L40-M55 HydrophobicContact CG-CE 4.45Å; L40-M55 WeakPolarHBondContact O-CE 3.27Å; L40-M59 HydrophobicContact CB-CE 4.08Å; L40-M59 HydrophobicContact CB-CG 4.19Å; L40-M59 HydrophobicContact CB-SD 3.76Å; L40-M59 HydrophobicContact CD1-CG 4.22Å; L40-L290 HydrophobicContact CD1-CD2 3.9Å; L40-L290 HydrophobicContact CD2-CD1 3.84Å; L40-L290 HydrophobicContact CD2-CD2 4.07Å; L40-I295 HydrophobicContact CD1-CD1 4.43Å; L40-I295 HydrophobicContact CD2-CD1 4.23Å
41G95.8Very high95.7Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-59-40170.600000112.7Y37 T38 A39 V43 L44 S45 Y116Y37-G41 PolarHBondContact O-N 2.77Å; T38-G41 WeakPolarHBondContact O-CA 3.36Å; T38-G41 PolarHBondContact O-N 3.26Å; T38-G41 VanDerWaalsContact O-N 3.1Å; A39-G41 VanDerWaalsContact C-N 3.3Å; A39-G41 PolarHBondContact O-N 3.32Å; G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 2.84Å; G41-L44 PolarHBondContact O-N 2.87Å; G41-S45 WeakPolarHBondContact O-CB 3.15Å; G41-S45 PolarHBondContact O-N 2.88Å; G41-Y116 VanDerWaalsContact CA-OH 3.26Å; G41-Y116 WeakPolarHBondContact CA-OH 3.2Å; G41-Y116 PolarHBondContact O-OH 2.85Å
42M96.7Very high95.8Very high4 Ų416 Ų162%0.028%0.083CC..Hα-helixtrans-62.3-42.6174.2-61.5164.65200111.6T38 A39 L40 S45 G46 N94 L96 L112 Y116 A118T38-M42 PolarHBondContact O-N 3.1Å; T38-M42 VanDerWaalsContact O-N 3.11Å; A39-M42 WeakPolarHBondContact O-CB 3.49Å; A39-M42 PolarHBondContact O-N 3.42Å; L40-M42 VanDerWaalsContact C-N 3.3Å; L40-M42 PolarHBondContact O-N 3.39Å; M42-S45 PolarHBondContact O-N 3.1Å; M42-G46 PolarHBondContact O-N 3.46Å; M42-N94 HydrophobicContact SD-CB 3.63Å; M42-L96 HydrophobicContact CE-CB 4.1Å; M42-L112 HydrophobicContact CB-CG 4.4Å; M42-L112 HydrophobicContact CE-CD2 3.96Å; M42-L112 HydrophobicContact CE-CG 4.42Å; M42-L112 HydrophobicContact CG-CG 4.38Å; M42-Y116 HydrophobicContact CG-CD1 3.87Å; M42-Y116 HydrophobicContact CG-CD2 3.8Å; M42-Y116 HydrophobicContact CG-CE1 4.45Å; M42-Y116 HydrophobicContact CG-CE2 4.38Å; M42-Y116 HydrophobicContact CG-CG 3.49Å; M42-Y116 VanDerWaalsContact CG-CG 3.49Å; M42-A118 HydrophobicContact CE-CB 3.53Å; M42-A118 HydrophobicContact CG-CB 4.36Å; M42-A118 HydrophobicContact SD-CB 3.57Å; M42-A118 VanDerWaalsContact SD-CB 3.57Å
43V96.9Very high95.8Very high10 Ų1018.4 Ų18.46%0.06110%0.102CC..Hα-helixtrans-64.8-44.9176.31780000110.5A39 L40 G41 S45 G46 S47 M55 V165 F306 I317A39-V43 PolarHBondContact O-N 3.07Å; L40-V43 PolarHBondContact O-N 3.37Å; G41-V43 VanDerWaalsContact C-N 3.34Å; G41-V43 PolarHBondContact O-N 2.84Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.97Å; V43-G46 PolarHBondContact O-N 2.82Å; V43-S47 PolarHBondContact O-N 2.71Å; V43-M55 HydrophobicContact CB-CE 3.71Å; V43-M55 HydrophobicContact CG1-CE 3.72Å; V43-M55 HydrophobicContact CG1-SD 3.9Å; V43-V165 HydrophobicContact CG2-CG2 3.77Å; V43-F306 HydrophobicContact CG1-CE1 3.69Å; V43-F306 HydrophobicContact CG1-CZ 3.84Å; V43-I317 HydrophobicContact CG1-CG1 4.16Å; V43-I317 HydrophobicContact CG2-CD1 4.46Å; V43-I317 HydrophobicContact CG2-CG1 4.32Å
44L95.9Very high95.9Very high3 Ų319.9 Ų19.92%0.01611%0.109CC..Hα-helixtrans-57.8-42.5177.3176.267.2000111.4L40 G41 G46 S47 K52 M55 I56 M59 L61 V70L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 PolarHBondContact O-N 3.37Å; G41-L44 PolarHBondContact O-N 2.87Å; L44-G46 PolarHBondContact O-N 3.14Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 3.12Å; L44-S47 VanDerWaalsContact O-N 3.13Å; L44-S47 PolarHBondContact O-OG 3.14Å; L44-K52 HydrophobicContact CD1-CG 3.92Å; L44-M55 HydrophobicContact CB-CB 4.43Å; L44-M55 HydrophobicContact CB-CE 4.23Å; L44-M55 HydrophobicContact CD1-CB 3.69Å; L44-I56 HydrophobicContact CD1-CG1 3.99Å; L44-M59 HydrophobicContact CB-SD 4.29Å; L44-M59 HydrophobicContact CD2-SD 4.15Å; L44-L61 HydrophobicContact CD2-CD1 3.62Å; L44-V70 HydrophobicContact CD2-CG1 4.23Å
45S95Very high95.9Very high10 Ų1019.8 Ų19.87%0.0711%0.109CC..Hα-helixtrans-61.3-24178.2-170.80000113.2G41 M42 V43G41-S45 WeakPolarHBondContact O-CB 3.15Å; G41-S45 PolarHBondContact O-N 2.88Å; M42-S45 PolarHBondContact O-N 3.1Å; V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S45 PolarHBondContact O-N 2.97Å
46G95.2Very high95.9Very high0 Ų020.4 Ų20.40%011%0.112CC..Hα-helixtrans-97.6-14.7178.200000114.3M42 V43 L44 F108 F306 N308 V309M42-G46 PolarHBondContact O-N 3.46Å; V43-G46 PolarHBondContact O-N 2.82Å; L44-G46 PolarHBondContact O-N 3.14Å; G46-F108 VanDerWaalsContact CA-CE2 3.41Å; G46-F306 CarbonylContact O-C 3.6Å; G46-F306 VanDerWaalsContact O-CA 3.3Å; G46-F306 WeakPolarHBondContact O-CA 3.4Å; G46-N308 WeakPolarHBondContact O-CB 3.29Å; G46-V309 VanDerWaalsContact CA-CG2 3.4Å
47S95.3Very high95.8Very high0 Ų027.9 Ų27.90%015%0.145CC..  trans-85153.6-17464.30000113.1V43 L44 K52 D305 N308V43-S47 PolarHBondContact O-N 2.71Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 3.12Å; L44-S47 VanDerWaalsContact O-N 3.13Å; L44-S47 PolarHBondContact O-OG 3.14Å; S47-K52 WeakPolarHBondContact OG-CA 3.48Å; S47-K52 WeakPolarHBondContact OG-CB 3.46Å; S47-D305 WeakPolarHBondContact CA-O 3.37Å; S47-N308 PolarHBondContact O-ND2 3.01Å
48E94.2Very high95.7Very high54 Ų5427.9 Ų27.925%0.25215%0.145SC..  trans-136.3172.5169.2-155.854.5-97.400111.5N50 T51 K52 D305 N308E48-N50 PolarHBondContact O-N 2.89Å; E48-T51 WeakPolarHBondContact O-CB 3.3Å; E48-T51 PolarHBondContact O-N 3.49Å; E48-K52 PolarHBondContact O-N 2.96Å; E48-K52 VanDerWaalsContact O-N 3.1Å; E48-K52 WeakPolarHBondContact OE1-CD 3.48Å; E48-K52 IonicContact OE1-NZ 3.83Å; E48-K52 PolarHBondContact OE1-NZ 3.13Å; E48-K52 IonicContact OE2-NZ 2.7Å; E48-D305 PolarHBondContact N-O 2.92Å; E48-D305 VanDerWaalsContact N-O 3.07Å; E48-N308 PolarHBondContact OE2-ND2 3.25Å
49N94.2Very high95.7Very high113 Ų11327.8 Ų27.860%0.60414%0.144SC*.Hα-helixtrans51.5-133.2172.8-65.2-49000113.4T51 K52 A53 D305N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.38Å; N49-K52 WeakPolarHBondContact O-CB 3.46Å; N49-K52 PolarHBondContact O-N 2.89Å; N49-A53 PolarHBondContact O-N 3.2Å; N49-D305 PolarHBondContact ND2-OD2 3.19Å
50N95.9Very high95.5Very high89 Ų8931 Ų3148%0.47616%0.16SC..Hα-helixtrans-66.2-33.9-176.4-168.363.8000112.3E48 K52 A53 E54 D297E48-N50 PolarHBondContact O-N 2.89Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 2.81Å; N50-A53 PolarHBondContact O-N 3.15Å; N50-A53 VanDerWaalsContact O-N 3.17Å; N50-E54 WeakPolarHBondContact O-CG 3.27Å; N50-E54 PolarHBondContact O-N 3.32Å; N50-D297 PolarHBondContact ND2-OD2 3.22Å
51T96.3Very high95.3Very high1 Ų131.8 Ų31.81%0.00616%0.164CC..Hα-helixtrans-57.5-45.7174.8-61.70000110.1E48 N49 E54 M55 D297 A298 D305 F306E48-T51 WeakPolarHBondContact O-CB 3.3Å; E48-T51 PolarHBondContact O-N 3.49Å; N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.38Å; T51-E54 PolarHBondContact O-N 2.92Å; T51-M55 VanDerWaalsContact O-CG 3.23Å; T51-M55 WeakPolarHBondContact O-CG 3.43Å; T51-M55 PolarHBondContact O-N 2.97Å; T51-M55 VanDerWaalsContact O-N 3.1Å; T51-D297 WeakPolarHBondContact OG1-CB 3.27Å; T51-A298 HydrophobicContact CG2-CB 3.91Å; T51-D305 PolarHBondContact OG1-N 3.38Å; T51-F306 HydrophobicContact CG2-CE1 4.37Å; T51-F306 HydrophobicContact CG2-CZ 4.05Å
52K95.2Very high94.7Very high43 Ų4333.5 Ų33.519%0.18718%0.176CC..Hα-helixtrans-64.7-42.4176.6-174.3177.3-178.11720112.5L44 S47 E48 N49 N50 E54 M55 I56 H67L44-K52 HydrophobicContact CD1-CG 3.92Å; S47-K52 WeakPolarHBondContact OG-CA 3.48Å; S47-K52 WeakPolarHBondContact OG-CB 3.46Å; E48-K52 PolarHBondContact O-N 2.96Å; E48-K52 VanDerWaalsContact O-N 3.1Å; E48-K52 WeakPolarHBondContact OE1-CD 3.48Å; E48-K52 IonicContact OE1-NZ 3.83Å; E48-K52 PolarHBondContact OE1-NZ 3.13Å; E48-K52 IonicContact OE2-NZ 2.7Å; N49-K52 WeakPolarHBondContact O-CB 3.46Å; N49-K52 PolarHBondContact O-N 2.89Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 2.81Å; K52-E54 VanDerWaalsContact C-N 3.35Å; K52-E54 PolarHBondContact O-N 2.85Å; K52-M55 WeakPolarHBondContact O-CB 3.23Å; K52-M55 PolarHBondContact O-N 3.46Å; K52-I56 HydrophobicContact CG-CD1 3.97Å; K52-I56 WeakPolarHBondContact O-CD1 3.43Å; K52-I56 VanDerWaalsContact O-CG1 3.26Å; K52-I56 WeakPolarHBondContact O-CG1 3.34Å; K52-I56 PolarHBondContact O-N 2.81Å; K52-H67 WeakPolarHBondContact CE-CD2 3.3Å
53A95.2Very high93.6Very high50 Ų5040.3 Ų40.341%0.41321%0.212SC..Hα-helixtrans-60-42.9176.900000112.5N49 N50 I56 K57N49-A53 PolarHBondContact O-N 3.2Å; N50-A53 PolarHBondContact O-N 3.15Å; N50-A53 VanDerWaalsContact O-N 3.17Å; A53-I56 PolarHBondContact O-N 2.89Å; A53-K57 WeakPolarHBondContact O-CB 3.28Å; A53-K57 PolarHBondContact O-N 2.74Å; A53-K57 VanDerWaalsContact O-N 3.1Å
54E97.1Very high91.9Very high30 Ų3051.5 Ų51.514%0.1425%0.253CS..Hα-helixtrans-61.8-43.8174.3-72.3-173156.400111.9N50 T51 K52 K57 A58 G294 N296 D297N50-E54 WeakPolarHBondContact O-CG 3.27Å; N50-E54 PolarHBondContact O-N 3.32Å; T51-E54 PolarHBondContact O-N 2.92Å; K52-E54 VanDerWaalsContact C-N 3.35Å; K52-E54 PolarHBondContact O-N 2.85Å; E54-K57 PolarHBondContact O-N 2.85Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.3Å; E54-A58 PolarHBondContact O-N 3.4Å; E54-G294 WeakPolarHBondContact CB-O 3.33Å; E54-G294 WeakPolarHBondContact CG-O 3.38Å; E54-N296 PolarHBondContact OE2-N 2.82Å; E54-D297 PolarHBondContact OE2-N 2.92Å
55M96Very high90.3Very high1 Ų152.9 Ų52.91%0.00526%0.26CS..Hα-helixtrans-60.6-49177.5-69.3-66-6200111.9L40 V43 L44 T51 K52 K57 A58 M59 I295L40-M55 HydrophobicContact CB-CE 3.84Å; L40-M55 HydrophobicContact CD2-CE 3.97Å; L40-M55 HydrophobicContact CG-CE 4.45Å; L40-M55 WeakPolarHBondContact O-CE 3.27Å; V43-M55 HydrophobicContact CB-CE 3.71Å; V43-M55 HydrophobicContact CG1-CE 3.72Å; V43-M55 HydrophobicContact CG1-SD 3.9Å; L44-M55 HydrophobicContact CB-CB 4.43Å; L44-M55 HydrophobicContact CB-CE 4.23Å; L44-M55 HydrophobicContact CD1-CB 3.69Å; T51-M55 VanDerWaalsContact O-CG 3.23Å; T51-M55 WeakPolarHBondContact O-CG 3.43Å; T51-M55 PolarHBondContact O-N 2.97Å; T51-M55 VanDerWaalsContact O-N 3.1Å; K52-M55 WeakPolarHBondContact O-CB 3.23Å; K52-M55 PolarHBondContact O-N 3.46Å; M55-K57 PolarHBondContact O-N 3Å; M55-A58 PolarHBondContact O-N 3.49Å; M55-M59 HydrophobicContact CE-SD 4.08Å; M55-M59 VanDerWaalsContact O-CB 3.25Å; M55-M59 WeakPolarHBondContact O-CB 3.42Å; M55-M59 WeakPolarHBondContact O-CG 3.2Å; M55-M59 PolarHBondContact O-N 2.87Å; M55-I295 HydrophobicContact SD-CB 4.48Å; M55-I295 HydrophobicContact SD-CD1 3.75Å; M55-I295 HydrophobicContact SD-CG1 4.06Å; M55-I295 HydrophobicContact SD-CG2 3.59Å; M55-I295 VanDerWaalsContact SD-CG2 3.59Å
56I94.4Very high88.9Confident13 Ų1359.4 Ų59.47%0.06729%0.29CS..Hα-helixtrans-56.7-50.2178.1-66.9156.4000110.6L44 K52 A53 M59 Q60 L61 H67L44-I56 HydrophobicContact CD1-CG1 3.99Å; K52-I56 HydrophobicContact CG-CD1 3.97Å; K52-I56 WeakPolarHBondContact O-CD1 3.43Å; K52-I56 VanDerWaalsContact O-CG1 3.26Å; K52-I56 WeakPolarHBondContact O-CG1 3.34Å; K52-I56 PolarHBondContact O-N 2.81Å; A53-I56 PolarHBondContact O-N 2.89Å; I56-M59 PolarHBondContact O-N 2.74Å; I56-Q60 PolarHBondContact O-N 2.82Å; I56-Q60 VanDerWaalsContact O-N 3.11Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.83Å; I56-L61 PolarHBondContact O-N 3.27Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.47Å
57K94.7Very high87.7Confident158 Ų15862.2 Ų62.269%0.68730%0.303SS*.Hα-helixtrans-62.5-47.2-179.3-176.6178.8179.1-179.50111.5A53 E54 M55 Q60A53-K57 WeakPolarHBondContact O-CB 3.28Å; A53-K57 PolarHBondContact O-N 2.74Å; A53-K57 VanDerWaalsContact O-N 3.1Å; E54-K57 PolarHBondContact O-N 2.85Å; M55-K57 PolarHBondContact O-N 3Å; K57-Q60 PolarHBondContact O-N 2.9Å; K57-Q60 PolarHBondContact O-NE2 3.5Å
58A95.9Very high86.9Confident2 Ų268 Ų682%0.01733%0.334CS..Hα-helixtrans-65.4-40.3-179.600000112F10 E54 M55 Q60 L293 I295F10-A58 WeakPolarHBondContact CD2-O 3.34Å; E54-A58 VanDerWaalsContact O-CB 3.28Å; E54-A58 WeakPolarHBondContact O-CB 3.3Å; E54-A58 PolarHBondContact O-N 3.4Å; M55-A58 PolarHBondContact O-N 3.49Å; A58-Q60 PolarHBondContact O-N 2.62Å; A58-L293 HydrophobicContact CB-CB 4.4Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.35Å
59M95.1Very high86.6Confident0 Ų070 Ų700%034%0.343CS..THydrogen-bonded Turntrans-74.2-1.2176-6717971.400113.8Y37 L40 L44 M55 I56 L61 I74Y37-M59 HydrophobicContact CD1-CE 4.12Å; Y37-M59 HydrophobicContact CD2-CE 3.98Å; Y37-M59 HydrophobicContact CE1-CE 3.8Å; Y37-M59 HydrophobicContact CE2-CB 3.89Å; Y37-M59 HydrophobicContact CE2-CE 3.66Å; Y37-M59 HydrophobicContact CE2-CG 4.3Å; Y37-M59 WeakPolarHBondContact CE2-O 3.44Å; Y37-M59 HydrophobicContact CG-CE 4.19Å; L40-M59 HydrophobicContact CB-CE 4.08Å; L40-M59 HydrophobicContact CB-CG 4.19Å; L40-M59 HydrophobicContact CB-SD 3.76Å; L40-M59 HydrophobicContact CD1-CG 4.22Å; L44-M59 HydrophobicContact CB-SD 4.29Å; L44-M59 HydrophobicContact CD2-SD 4.15Å; M55-M59 HydrophobicContact CE-SD 4.08Å; M55-M59 VanDerWaalsContact O-CB 3.25Å; M55-M59 WeakPolarHBondContact O-CB 3.42Å; M55-M59 WeakPolarHBondContact O-CG 3.2Å; M55-M59 PolarHBondContact O-N 2.87Å; I56-M59 PolarHBondContact O-N 2.74Å; M59-L61 HydrophobicContact CB-CD1 4.02Å; M59-L61 HydrophobicContact CB-CG 3.96Å; M59-L61 HydrophobicContact CE-CD1 4.35Å; M59-L61 PolarHBondContact O-N 3.1Å; M59-L61 HydrophobicContact SD-CD1 4.32Å; M59-I74 HydrophobicContact CE-CD1 4.46Å
60Q93.5Very high86.4Confident69 Ų6964.8 Ų64.832%0.32232%0.315SS..THydrogen-bonded Turntrans58.832.4-179.3-56.1-68.6-92.600112.9S6 I56 K57 A58S6-Q60 WeakPolarHBondContact CB-O 3.46Å; I56-Q60 PolarHBondContact O-N 2.82Å; I56-Q60 VanDerWaalsContact O-N 3.11Å; K57-Q60 PolarHBondContact O-N 2.9Å; K57-Q60 PolarHBondContact O-NE2 3.5Å; A58-Q60 PolarHBondContact O-N 2.62Å
61L92Very high86.3Confident18 Ų1861.1 Ų61.19%0.09430%0.295CS..  trans-78.6146.9174.5-69.9172.3000110.1Y37 L44 I56 M59 V70Y37-L61 WeakPolarHBondContact OH-CD2 3.39Å; L44-L61 HydrophobicContact CD2-CD1 3.62Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.83Å; I56-L61 PolarHBondContact O-N 3.27Å; M59-L61 HydrophobicContact CB-CD1 4.02Å; M59-L61 HydrophobicContact CB-CG 3.96Å; M59-L61 HydrophobicContact CE-CD1 4.35Å; M59-L61 PolarHBondContact O-N 3.1Å; M59-L61 HydrophobicContact SD-CD1 4.32Å; L61-V70 HydrophobicContact CD1-CG1 4.39Å; L61-V70 HydrophobicContact CD1-CG2 3.98Å; L61-V70 HydrophobicContact CD2-CB 4.3Å; L61-V70 HydrophobicContact CD2-CG2 3.52Å; L61-V70 HydrophobicContact CG-CG2 4.41Å
62S84.3Confident86.1Confident36 Ų3664.1 Ų64.125%0.25232%0.315SS..  trans-80.5137.1176.353.60000111.3E2 R64 L65E2-S62 VanDerWaalsContact OE1-CB 3.22Å; E2-S62 WeakPolarHBondContact OE1-CB 3.38Å; E2-S62 PolarHBondContact OE1-OG 3.25Å; S62-R64 PolarHBondContact O-N 3.08Å; S62-L65 PolarHBondContact O-N 3.48Å; S62-L65 WeakPolarHBondContact OG-CD1 3.43Å
63D73.9Confident86Confident146 Ų14663 Ų6378%0.78131%0.311SS*.THydrogen-bonded Turntrans-62.7-13.2177.1-57.6-38.1000113.3
64R61.2Low85.9Confident246 Ų24660.8 Ų60.893%0.92829%0.292SS*.THydrogen-bonded Turntrans-86.2-12.7-176.7-62.6-174.1179.9-167.3-0.3113.7S62S62-R64 PolarHBondContact O-N 3.08Å
65L61.9Low85.8Confident31 Ų3159.7 Ų59.716%0.16229%0.288CS..SBendtrans-80.3139.9-177.5-94.8160.2000111.8E2 S62 H67 Q69E2-L65 HydrophobicContact CB-CD1 3.62Å; E2-L65 HydrophobicContact CG-CD1 3.49Å; E2-L65 VanDerWaalsContact CG-CD1 3.49Å; S62-L65 PolarHBondContact O-N 3.48Å; S62-L65 WeakPolarHBondContact OG-CD1 3.43Å; L65-H67 PolarHBondContact O-N 3.27Å; L65-H67 PolarHBondContact O-ND1 3.2Å; L65-Q69 HydrophobicContact CD2-CB 4.13Å; L65-Q69 HydrophobicContact CD2-CG 4.13Å
66E66.1Low85.8Confident148 Ų14864.8 Ų64.869%0.69231%0.312SS*.  trans-61.8122.3158.4-69-176177.100108D68 Q69E66-D68 PolarHBondContact O-N 3.1Å; E66-D68 VanDerWaalsContact O-N 3.14Å; E66-Q69 VanDerWaalsContact O-CB 3.31Å; E66-Q69 WeakPolarHBondContact O-CB 3.23Å; E66-Q69 PolarHBondContact O-N 2.89Å
67H69.6Low85.7Confident59 Ų5964.4 Ų64.427%0.27331%0.31SS..Hα-helixtrans-63.2-23.9-173.4-68.168.7000112.4K52 I56 L65 Q69 V70 H71K52-H67 WeakPolarHBondContact CE-CD2 3.3Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.47Å; L65-H67 PolarHBondContact O-N 3.27Å; L65-H67 PolarHBondContact O-ND1 3.2Å; H67-Q69 VanDerWaalsContact C-N 3.29Å; H67-Q69 PolarHBondContact O-N 3.44Å; H67-V70 WeakPolarHBondContact O-CG1 3.37Å; H67-H71 PolarHBondContact O-CD2 2.82Å
68D78.3Confident85.7Confident122 Ų12257 Ų5765%0.65228%0.278SS*.Hα-helixtrans-68.8-30.1173.8-65.9-23.2000111.9E66 H71 C72E66-D68 PolarHBondContact O-N 3.1Å; E66-D68 VanDerWaalsContact O-N 3.14Å; D68-H71 PolarHBondContact O-N 2.95Å; D68-C72 PolarHBondContact O-N 2.93Å
69Q87.1Confident85.6Confident94 Ų9460.1 Ų60.144%0.43929%0.294SS..Hα-helixtrans-69.5-36.6179.4-173.6169.1-3.400112.2L65 E66 H67 H71 C72 E73L65-Q69 HydrophobicContact CD2-CB 4.13Å; L65-Q69 HydrophobicContact CD2-CG 4.13Å; E66-Q69 VanDerWaalsContact O-CB 3.31Å; E66-Q69 WeakPolarHBondContact O-CB 3.23Å; E66-Q69 PolarHBondContact O-N 2.89Å; H67-Q69 VanDerWaalsContact C-N 3.29Å; H67-Q69 PolarHBondContact O-N 3.44Å; Q69-H71 VanDerWaalsContact C-N 3.28Å; Q69-H71 PolarHBondContact O-N 3.28Å; Q69-C72 PolarHBondContact O-N 3.45Å; Q69-E73 HydrophobicContact CG-CG 4.48Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.79Å
70V90.7Very high85.6Confident4 Ų463.2 Ų63.22%0.02431%0.311CS..Hα-helixtrans-62.6-38.217759.30000111.3L44 L61 H67 C72 E73 I74L44-V70 HydrophobicContact CD2-CG1 4.23Å; L61-V70 HydrophobicContact CD1-CG1 4.39Å; L61-V70 HydrophobicContact CD1-CG2 3.98Å; L61-V70 HydrophobicContact CD2-CB 4.3Å; L61-V70 HydrophobicContact CD2-CG2 3.52Å; L61-V70 HydrophobicContact CG-CG2 4.41Å; H67-V70 WeakPolarHBondContact O-CG1 3.37Å; V70-C72 PolarHBondContact O-N 2.82Å; V70-E73 PolarHBondContact O-N 3.45Å; V70-I74 HydrophobicContact CG2-CD1 3.92Å; V70-I74 HydrophobicContact CG2-CG1 4.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 3.44Å
71H93.3Very high85.5Confident12 Ų1260 Ų606%0.05630%0.296CS..Hα-helixtrans-63.3-42.6177.9-61.2-33.6000111.5H67 D68 Q69 I74 A75 N115 Y116H67-H71 PolarHBondContact O-CD2 2.82Å; D68-H71 PolarHBondContact O-N 2.95Å; Q69-H71 VanDerWaalsContact C-N 3.28Å; Q69-H71 PolarHBondContact O-N 3.28Å; H71-I74 PolarHBondContact O-N 3.26Å; H71-A75 WeakPolarHBondContact O-CB 3.31Å; H71-A75 PolarHBondContact O-N 3.13Å; H71-N115 HydrophobicContact CB-CB 4.27Å; H71-Y116 PolarHBondContact CE1-OH 3.22Å; H71-Y116 AromaticContact ND1-CZ 3.81Å; H71-Y116 PolarHBondContact ND1-OH 3.19Å
72C92.9Very high85.5Confident64 Ų6461 Ų6143%0.43231%0.305SS..Hα-helixtrans-63.7-41.8174.5-69.50000112.7D68 Q69 V70 A75 Q76D68-C72 PolarHBondContact O-N 2.93Å; Q69-C72 PolarHBondContact O-N 3.45Å; V70-C72 PolarHBondContact O-N 2.82Å; C72-A75 WeakPolarHBondContact O-CB 3.37Å; C72-A75 PolarHBondContact O-N 3.06Å; C72-Q76 WeakPolarHBondContact O-CG 3.43Å; C72-Q76 PolarHBondContact O-N 3.17Å
73E92.8Very high85.8Confident20 Ų2064.9 Ų64.99%0.09332%0.317CS..Hα-helixtrans-66.4-39.7177.6-70.6-169.4-178.900112M1 E2 A3 Q69 V70 A75 Q76 L77M1-E73 WeakPolarHBondContact CB-OE2 3.07Å; E2-E73 PolarHBondContact N-OE2 3.19Å; A3-E73 HydrophobicContact CB-CB 3.58Å; A3-E73 VanDerWaalsContact CB-OE2 3.3Å; A3-E73 WeakPolarHBondContact CB-OE2 3.34Å; A3-E73 PolarHBondContact N-OE2 3.43Å; Q69-E73 HydrophobicContact CG-CG 4.48Å; Q69-E73 WeakPolarHBondContact O-CG 3.38Å; Q69-E73 PolarHBondContact O-N 2.79Å; V70-E73 PolarHBondContact O-N 3.45Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-Q76 PolarHBondContact O-N 3.35Å; E73-L77 WeakPolarHBondContact O-CG 3.46Å; E73-L77 PolarHBondContact O-N 3.03Å
74I94.1Very high86.5Confident3 Ų364.3 Ų64.32%0.01532%0.322CS..Hα-helixtrans-63.3-42.3173.1-65.1167.7000110.4A3 Y37 T38 M59 V70 H71 Q76 L77 L78 Y116A3-I74 HydrophobicContact CB-CG1 4.48Å; Y37-I74 HydrophobicContact CD1-CD1 4.22Å; Y37-I74 HydrophobicContact CD1-CG1 4.35Å; Y37-I74 HydrophobicContact CE1-CD1 3.73Å; Y37-I74 HydrophobicContact CE1-CG1 3.86Å; T38-I74 HydrophobicContact CG2-CG2 4.15Å; M59-I74 HydrophobicContact CE-CD1 4.46Å; V70-I74 HydrophobicContact CG2-CD1 3.92Å; V70-I74 HydrophobicContact CG2-CG1 4.32Å; V70-I74 WeakPolarHBondContact O-CG1 3.47Å; V70-I74 PolarHBondContact O-N 3.44Å; H71-I74 PolarHBondContact O-N 3.26Å; I74-Q76 VanDerWaalsContact C-N 3.32Å; I74-Q76 PolarHBondContact O-N 3.18Å; I74-L77 PolarHBondContact O-N 3.48Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.3Å; I74-L78 PolarHBondContact O-N 2.82Å; I74-Y116 HydrophobicContact CB-CE1 4.16Å; I74-Y116 HydrophobicContact CD1-CE1 4.14Å; I74-Y116 HydrophobicContact CG2-CD1 3.98Å; I74-Y116 HydrophobicContact CG2-CE1 3.64Å
75A95.1Very high87.7Confident8 Ų854.4 Ų54.47%0.06629%0.29CS..Hα-helixtrans-59.1-43.8177.600000112H71 C72 E73 L78 N79 N115H71-A75 WeakPolarHBondContact O-CB 3.31Å; H71-A75 PolarHBondContact O-N 3.13Å; C72-A75 WeakPolarHBondContact O-CB 3.37Å; C72-A75 PolarHBondContact O-N 3.06Å; E73-A75 VanDerWaalsContact C-N 3.33Å; A75-L78 PolarHBondContact O-N 3.36Å; A75-N79 VanDerWaalsContact O-CB 3.27Å; A75-N79 WeakPolarHBondContact O-CB 3.28Å; A75-N79 VanDerWaalsContact O-CG 3.23Å; A75-N79 PolarHBondContact O-N 2.77Å; A75-N79 PolarHBondContact O-ND2 2.96Å; A75-N79 VanDerWaalsContact O-ND2 3.1Å; A75-N115 WeakPolarHBondContact CA-O 3.31Å; A75-N115 HydrophobicContact CB-CB 4.23Å; A75-N115 VanDerWaalsContact CB-O 3.24Å; A75-N115 WeakPolarHBondContact CB-O 3.26Å
76Q94.5Very high88.7Confident107 Ų10761 Ų6150%0.532%0.317SS..Hα-helixtrans-61.9-49.5176-72.7175.4-300111.4C72 E73 I74 L78 N79 D80C72-Q76 WeakPolarHBondContact O-CG 3.43Å; C72-Q76 PolarHBondContact O-N 3.17Å; E73-Q76 PolarHBondContact O-N 3.35Å; I74-Q76 VanDerWaalsContact C-N 3.32Å; I74-Q76 PolarHBondContact O-N 3.18Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 2.93Å; Q76-N79 PolarHBondContact O-N 3.4Å; Q76-D80 VanDerWaalsContact O-CB 3.25Å; Q76-D80 WeakPolarHBondContact O-CB 3.36Å; Q76-D80 PolarHBondContact O-N 3.46Å
77L93.9Very high89.8Confident5 Ų554.9 Ų54.93%0.02629%0.294CS..Hα-helixtrans-57.3-47.3176.9-73.3170000111.7M1 A3 F34 E73 I74 D80 C81 W370 L374M1-L77 HydrophobicContact CE-CD1 4.46Å; M1-L77 HydrophobicContact CE-CD2 3.41Å; M1-L77 VanDerWaalsContact CE-CD2 3.41Å; M1-L77 HydrophobicContact CE-CG 3.79Å; A3-L77 HydrophobicContact CB-CD1 3.98Å; F34-L77 HydrophobicContact CE2-CB 4.01Å; F34-L77 HydrophobicContact CZ-CB 4.01Å; E73-L77 WeakPolarHBondContact O-CG 3.46Å; E73-L77 PolarHBondContact O-N 3.03Å; I74-L77 PolarHBondContact O-N 3.48Å; L77-D80 PolarHBondContact O-N 3.19Å; L77-C81 WeakPolarHBondContact O-CB 3.26Å; L77-C81 PolarHBondContact O-N 3.5Å; L77-W370 HydrophobicContact CD2-CH2 4.29Å; L77-W370 HydrophobicContact CD2-CZ3 3.69Å; L77-L374 HydrophobicContact CD2-CD1 3.86Å
78L94.4Very high90.8Very high4 Ų452.5 Ų52.52%0.02128%0.283CS..Hα-helixtrans-62.6-49.6-178.9-179.365.3000111.3F34 T38 I74 A75 Q76 D80 S82 L92 Y116 N117F34-L78 HydrophobicContact CE1-CD1 4.17Å; T38-L78 HydrophobicContact CG2-CD1 4.29Å; T38-L78 HydrophobicContact CG2-CD2 4.06Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.3Å; I74-L78 PolarHBondContact O-N 2.82Å; A75-L78 PolarHBondContact O-N 3.36Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 2.93Å; L78-D80 PolarHBondContact O-N 3.45Å; L78-S82 WeakPolarHBondContact O-CB 3.49Å; L78-S82 PolarHBondContact O-N 3.44Å; L78-S82 PolarHBondContact O-OG 3.47Å; L78-L92 HydrophobicContact CD1-CB 3.98Å; L78-L92 HydrophobicContact CD1-CD1 3.56Å; L78-L92 HydrophobicContact CD1-CG 4.43Å; L78-Y116 VanDerWaalsContact CD2-C 3.44Å; L78-Y116 VanDerWaalsContact CD2-O 3.24Å; L78-Y116 WeakPolarHBondContact CD2-O 3.35Å; L78-N117 HydrophobicContact CD2-CB 4.33Å
79N93.7Very high91.3Very high66 Ų6649.6 Ų49.635%0.35327%0.266SS..Hα-helixtrans-65-40179.8-73.6-31.9000111.4A75 Q76 S82 K83 N117A75-N79 VanDerWaalsContact O-CB 3.27Å; A75-N79 WeakPolarHBondContact O-CB 3.28Å; A75-N79 VanDerWaalsContact O-CG 3.23Å; A75-N79 PolarHBondContact O-N 2.77Å; A75-N79 PolarHBondContact O-ND2 2.96Å; A75-N79 VanDerWaalsContact O-ND2 3.1Å; Q76-N79 PolarHBondContact O-N 3.4Å; N79-S82 PolarHBondContact O-OG 3.2Å; N79-K83 WeakPolarHBondContact O-CG 3.46Å; N79-K83 PolarHBondContact O-N 3.5Å; N79-N117 PolarHBondContact OD1-ND2 3.21Å
80D93.6Very high91.5Very high65 Ų6546.1 Ų46.135%0.34825%0.25SS..Hα-helixtrans-71.8-37-179.5-79.2-17.5000113Q76 L77 L78 K83 W370Q76-D80 VanDerWaalsContact O-CB 3.25Å; Q76-D80 WeakPolarHBondContact O-CB 3.36Å; Q76-D80 PolarHBondContact O-N 3.46Å; L77-D80 PolarHBondContact O-N 3.19Å; L78-D80 PolarHBondContact O-N 3.45Å; D80-K83 WeakPolarHBondContact OD1-CE 3.35Å; D80-K83 IonicContact OD1-NZ 2.99Å; D80-K83 PolarHBondContact OD1-NZ 3.2Å; D80-W370 HydrophobicContact CB-CH2 3.66Å; D80-W370 HydrophobicContact CB-CZ2 3.71Å
81C93.2Very high91.5Very high1 Ų147.2 Ų47.21%0.00726%0.256CS..Hα-helixtrans-70.5-40176.8-168.60000111.6F34 L77 K83 I90 W370F34-C81 HydrophobicContact CZ-CB 4.11Å; L77-C81 WeakPolarHBondContact O-CB 3.26Å; L77-C81 PolarHBondContact O-N 3.5Å; C81-K83 VanDerWaalsContact C-N 3.32Å; C81-K83 PolarHBondContact O-N 3.23Å; C81-I90 WeakPolarHBondContact O-CG2 3.39Å; C81-W370 HydrophobicContact CB-CD2 4.37Å; C81-W370 HydrophobicContact CB-CE3 4.43Å; C81-W370 HydrophobicContact CB-CH2 4.26Å; C81-W370 HydrophobicContact CB-CZ2 4.18Å; C81-W370 HydrophobicContact CB-CZ3 4.36Å
82S90.5Very high91.5Very high40 Ų4047.9 Ų47.928%0.2826%0.26SS..SBendtrans-83.30.8-178.861.30000115.2L78 N79 P84L78-S82 WeakPolarHBondContact O-CB 3.49Å; L78-S82 PolarHBondContact O-N 3.44Å; L78-S82 PolarHBondContact O-OG 3.47Å; N79-S82 PolarHBondContact O-OG 3.2Å; S82-P84 WeakPolarHBondContact O-CD 3.37Å
83K91.4Very high91.4Very high117 Ų11745.2 Ų45.251%0.50924%0.242SC..SBendtrans-54.1125.7176.5-92.7167.2-173.5170.20110.8N79 D80 C81 S85N79-K83 WeakPolarHBondContact O-CG 3.46Å; N79-K83 PolarHBondContact O-N 3.5Å; D80-K83 WeakPolarHBondContact OD1-CE 3.35Å; D80-K83 IonicContact OD1-NZ 2.99Å; D80-K83 PolarHBondContact OD1-NZ 3.2Å; C81-K83 VanDerWaalsContact C-N 3.32Å; C81-K83 PolarHBondContact O-N 3.23Å; K83-S85 PolarHBondContact O-N 2.91Å
84P88.1Confident91.6Very high135 Ų13544.5 Ų44.588%0.87724%0.239SC*.  trans-53.2132.3175.5-27.434.7000111.3S82S82-P84 WeakPolarHBondContact O-CD 3.37Å
85S86.1Confident91.7Very high37 Ų3746 Ų4626%0.25924%0.244SC..BIsolated β-bridgetrans-142.2151.1-178.276.20000111.7K83 G87 V88 N227K83-S85 PolarHBondContact O-N 2.91Å; S85-G87 PolarHBondContact O-N 3.39Å; S85-G87 VanDerWaalsContact O-N 3.14Å; S85-V88 PolarHBondContact OG-O 3.4Å; S85-N227 WeakPolarHBondContact CB-ND2 3.48Å; S85-N227 PolarHBondContact OG-ND2 3Å
86K84.1Confident91.8Very high170 Ų17045.9 Ų45.974%0.73924%0.242SC*.THydrogen-bonded Turntrans-70.1113.9-179.6-170.4176.5-175.2177.60109.7
87G88.2Confident92Very high20 Ų2040.8 Ų40.821%0.20622%0.219CC..THydrogen-bonded Turntrans83.18173.900000115.7S85 G173 M174S85-G87 PolarHBondContact O-N 3.39Å; S85-G87 VanDerWaalsContact O-N 3.14Å; G87-G173 CarbonylContact O-C 3.36Å; G87-M174 WeakPolarHBondContact CA-SD 3.23Å; G87-M174 WeakPolarHBondContact O-CB 3.4Å; G87-M174 WeakPolarHBondContact O-CG 3.47Å; G87-M174 PolarHBondContact O-N 3.46Å
88V89.9Confident92.1Very high8 Ų840.6 Ų40.65%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-130123.3162173.90000108.1S85 F171 F225 N227 F230S85-V88 PolarHBondContact OG-O 3.4Å; V88-F171 HydrophobicContact CG1-CD2 4.32Å; V88-F171 HydrophobicContact CG1-CE2 3.5Å; V88-F171 VanDerWaalsContact CG1-CE2 3.5Å; V88-F171 HydrophobicContact CG1-CZ 3.75Å; V88-F171 HydrophobicContact CG2-CZ 4.49Å; V88-F225 HydrophobicContact CG2-CB 3.84Å; V88-F225 HydrophobicContact CG2-CG 4.45Å; V88-N227 HydrophobicContact CB-CB 4.18Å; V88-N227 HydrophobicContact CG2-CB 3.72Å; V88-F230 HydrophobicContact CB-CD2 4.21Å; V88-F230 HydrophobicContact CB-CE2 4.49Å; V88-F230 HydrophobicContact CG1-CD2 3.82Å; V88-F230 HydrophobicContact CG1-CE2 3.95Å; V88-F230 HydrophobicContact CG1-CG 4.22Å; V88-F230 HydrophobicContact CG1-CZ 4.46Å; V88-F230 HydrophobicContact CG2-CD2 4.15Å
89E89Confident92.1Very high62 Ų6240.5 Ų40.529%0.2922%0.218SC..EExtended strand (participates in β ladder)trans-107.5122.1170179.6175.4-158.200108.4I91 K145 Y170 K172E89-I91 HydrophobicContact CG-CG1 4.47Å; E89-K145 VanDerWaalsContact OE1-CE 3.26Å; E89-K145 WeakPolarHBondContact OE1-CE 2.89Å; E89-K145 IonicContact OE1-NZ 3.68Å; E89-K145 PolarHBondContact OE1-NZ 3Å; E89-Y170 HydrophobicContact CG-CE1 4.29Å; E89-K172 PolarHBondContact N-O 2.98Å; E89-K172 PolarHBondContact O-N 3.29Å
90I91.3Very high92Very high20 Ų2042 Ų4210%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-128.4130.8173.4-171.4174.5000108.5C81 L92 Y170 F171 F230 I376 F377C81-I90 WeakPolarHBondContact O-CG2 3.39Å; I90-L92 HydrophobicContact CD1-CD1 4.31Å; I90-L92 HydrophobicContact CD1-CD2 4.11Å; I90-L92 HydrophobicContact CD1-CG 4.22Å; I90-L92 HydrophobicContact CG1-CD2 4.18Å; I90-L92 HydrophobicContact CG1-CG 4.15Å; I90-Y170 WeakPolarHBondContact CA-O 3.26Å; I90-F171 HydrophobicContact CB-CD2 4.27Å; I90-F171 HydrophobicContact CD1-CD2 4.32Å; I90-F171 HydrophobicContact CG1-CD2 4.27Å; I90-F230 HydrophobicContact CD1-CE1 4.41Å; I90-I376 HydrophobicContact CD1-CG2 3.99Å; I90-F377 HydrophobicContact CD1-CE2 4.04Å; I90-F377 HydrophobicContact CG1-CE2 4.45Å
91I91Very high91.8Very high27 Ų2743.6 Ų43.614%0.13823%0.231CC..EExtended strand (participates in β ladder)trans-119.4122.2175.7-58.3177.3000106.6E89 A93 Q143 K145 T169 Y170E89-I91 HydrophobicContact CG-CG1 4.47Å; I91-A93 HydrophobicContact CG2-CB 4.32Å; I91-Q143 WeakPolarHBondContact CD1-O 3.36Å; I91-Q143 WeakPolarHBondContact CG2-O 3.36Å; I91-K145 HydrophobicContact CD1-CD 4.33Å; I91-K145 HydrophobicContact CD1-CG 4.29Å; I91-T169 VanDerWaalsContact O-CA 3.25Å; I91-T169 WeakPolarHBondContact O-CA 3.27Å; I91-Y170 HydrophobicContact CD1-CD1 3.78Å; I91-Y170 HydrophobicContact CD1-CE1 4.49Å; I91-Y170 HydrophobicContact CG1-CD1 4.11Å; I91-Y170 PolarHBondContact N-O 2.99Å; I91-Y170 PolarHBondContact O-N 3.33Å
92L92.8Very high91.7Very high27 Ų2744 Ų4414%0.14123%0.233CC..EExtended strand (participates in β ladder)trans-119.996174.8-59.2175.8000106.6F34 N35 L78 I90 T169F34-L92 HydrophobicContact CD1-CD1 4.04Å; F34-L92 HydrophobicContact CE1-CD1 3.64Å; N35-L92 HydrophobicContact CB-CD2 4.17Å; L78-L92 HydrophobicContact CD1-CB 3.98Å; L78-L92 HydrophobicContact CD1-CD1 3.56Å; L78-L92 HydrophobicContact CD1-CG 4.43Å; I90-L92 HydrophobicContact CD1-CD1 4.31Å; I90-L92 HydrophobicContact CD1-CD2 4.11Å; I90-L92 HydrophobicContact CD1-CG 4.22Å; I90-L92 HydrophobicContact CG1-CD2 4.18Å; I90-L92 HydrophobicContact CG1-CG 4.15Å; L92-T169 HydrophobicContact CD2-CG2 3.45Å; L92-T169 VanDerWaalsContact CD2-CG2 3.45Å
93A91.9Very high91.9Very high7 Ų752.4 Ų52.46%0.05826%0.259CS..EExtended strand (participates in β ladder)trans-106.1114.5-174.400000109.7I91 W139 Q143 T168I91-A93 HydrophobicContact CG2-CB 4.32Å; A93-W139 HydrophobicContact CB-CH2 4.04Å; A93-Q143 HydrophobicContact CB-CB 3.78Å; A93-Q143 HydrophobicContact CB-CG 4.14Å; A93-T168 WeakPolarHBondContact CB-OG1 3.35Å; A93-T168 PolarHBondContact N-O 3.04Å; A93-T168 PolarHBondContact O-N 3.37Å; A93-T168 PolarHBondContact O-OG1 3.11Å
94N95.8Very high92.1Very high5 Ų547.1 Ų47.13%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-121.3138.8178.2-60.1-62.6000110.2N35 M42 A118 T166 A167N35-N94 PolarHBondContact ND2-OD1 3.36Å; N35-N94 PolarHBondContact OD1-ND2 2.69Å; N35-N94 PolarHBondContact OD1-OD1 3.17Å; M42-N94 HydrophobicContact SD-CB 3.63Å; N94-A118 HydrophobicContact CB-CB 3.98Å; N94-A118 WeakPolarHBondContact O-CA 3.46Å; N94-T166 WeakPolarHBondContact CA-O 3.39Å; N94-A167 WeakPolarHBondContact OD1-CA 3.47Å
95R97.1Very high92.5Very high35 Ų3544 Ų4413%0.13221%0.209CC..EExtended strand (participates in β ladder)trans-154.4145.3176.4-180167.3-71.1-159.1-0.5109.8F97 P119 E121 W139 T166R95-F97 HydrophobicContact CB-CD2 4.46Å; R95-F97 HydrophobicContact CB-CE2 3.94Å; R95-F97 HydrophobicContact CB-CZ 4.42Å; R95-F97 HydrophobicContact CG-CD2 4Å; R95-F97 HydrophobicContact CG-CE1 4.25Å; R95-F97 HydrophobicContact CG-CE2 3.64Å; R95-F97 HydrophobicContact CG-CG 4.46Å; R95-F97 HydrophobicContact CG-CZ 3.82Å; R95-P119 WeakPolarHBondContact CG-O 3.49Å; R95-E121 IonicContact CZ-OE2 2.62Å; R95-E121 IonicContact NH1-OE2 2.8Å; R95-E121 PolarHBondContact NH1-OE2 3.11Å; R95-W139 HydrophobicContact CB-CE3 4.24Å; R95-W139 HydrophobicContact CB-CH2 3.33Å; R95-W139 HydrophobicContact CB-CZ2 3.7Å; R95-W139 HydrophobicContact CB-CZ3 3.65Å; R95-W139 HydrophobicContact CG-CH2 4.42Å; R95-W139 HydrophobicContact CG-CZ2 4.45Å; R95-T166 PolarHBondContact N-O 3.36Å; R95-T166 PolarHBondContact N-OG1 3.35Å; R95-T166 PolarHBondContact O-N 3.47Å; R95-T166 PolarHBondContact O-OG1 3.32Å
96L97.8Very high93Very high6 Ų648.3 Ų48.33%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-104.2116.6169.4179.172000108.5M42 V98 F108 L112 P119 T120 E121 A163 V165 M315 I317M42-L96 HydrophobicContact CE-CB 4.1Å; L96-V98 HydrophobicContact CD1-CG2 4.39Å; L96-V98 HydrophobicContact CD2-CG2 3.69Å; L96-V98 HydrophobicContact CG-CG2 3.63Å; L96-F108 HydrophobicContact CD2-CE1 3.59Å; L96-F108 HydrophobicContact CD2-CZ 3.98Å; L96-L112 HydrophobicContact CB-CD2 4.22Å; L96-L112 HydrophobicContact CD2-CD2 4.33Å; L96-P119 PolarHBondContact N-O 2.92Å; L96-T120 HydrophobicContact CB-CG2 4.33Å; L96-T120 HydrophobicContact CD2-CG2 4.21Å; L96-T120 CarbonylContact O-C 3.4Å; L96-T120 VanDerWaalsContact O-CA 3.3Å; L96-T120 WeakPolarHBondContact O-CA 3.47Å; L96-E121 PolarHBondContact O-N 2.75Å; L96-A163 HydrophobicContact CD1-CB 4.21Å; L96-V165 HydrophobicContact CD1-CG2 3.72Å; L96-M315 HydrophobicContact CD2-CE 4.48Å; L96-I317 HydrophobicContact CD1-CD1 4.29Å
97F97.4Very high93.5Very high0 Ų046.5 Ų46.50%022%0.219CC..EExtended strand (participates in β ladder)trans-96.6128.9170.2-64.9-87.8000108.9R95 E121 V123 F125 I136 W139 A163 V164 T166R95-F97 HydrophobicContact CB-CD2 4.46Å; R95-F97 HydrophobicContact CB-CE2 3.94Å; R95-F97 HydrophobicContact CB-CZ 4.42Å; R95-F97 HydrophobicContact CG-CD2 4Å; R95-F97 HydrophobicContact CG-CE1 4.25Å; R95-F97 HydrophobicContact CG-CE2 3.64Å; R95-F97 HydrophobicContact CG-CG 4.46Å; R95-F97 HydrophobicContact CG-CZ 3.82Å; F97-E121 CarbonylContact C-O 3.48Å; F97-E121 WeakPolarHBondContact CA-O 3.46Å; F97-E121 HydrophobicContact CD1-CB 3.91Å; F97-E121 HydrophobicContact CD1-CG 4.25Å; F97-E121 HydrophobicContact CE1-CB 4.09Å; F97-E121 HydrophobicContact CE1-CG 4.29Å; F97-E121 VanDerWaalsContact CE1-OE2 3.31Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.38Å; F97-V123 HydrophobicContact CB-CG2 4.16Å; F97-V123 HydrophobicContact CD1-CG1 3.82Å; F97-V123 HydrophobicContact CE1-CG1 4.5Å; F97-F125 HydrophobicContact CB-CZ 4.13Å; F97-I136 HydrophobicContact CB-CD1 4.18Å; F97-I136 HydrophobicContact CB-CG1 4.48Å; F97-I136 HydrophobicContact CD1-CD1 4.25Å; F97-I136 HydrophobicContact CD1-CG1 3.65Å; F97-I136 HydrophobicContact CD2-CD1 4.2Å; F97-I136 HydrophobicContact CD2-CG1 3.91Å; F97-I136 HydrophobicContact CD2-CG2 4.3Å; F97-I136 HydrophobicContact CE1-CB 4.45Å; F97-I136 HydrophobicContact CE1-CG1 3.65Å; F97-I136 HydrophobicContact CE2-CB 4.33Å; F97-I136 HydrophobicContact CE2-CG1 3.92Å; F97-I136 HydrophobicContact CE2-CG2 3.85Å; F97-I136 HydrophobicContact CG-CD1 3.96Å; F97-I136 HydrophobicContact CG-CG1 3.75Å; F97-I136 HydrophobicContact CZ-CB 4.16Å; F97-I136 HydrophobicContact CZ-CG1 3.76Å; F97-I136 HydrophobicContact CZ-CG2 4.1Å; F97-W139 AromaticContact CE2-CE3 3.96Å; F97-W139 HydrophobicContact CE2-CE3 3.96Å; F97-W139 HydrophobicContact CE2-CZ3 4.31Å; F97-W139 HydrophobicContact CZ-CB 4.32Å; F97-W139 HydrophobicContact CZ-CD2 4.08Å; F97-W139 AromaticContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CG 4.32Å; F97-A163 CarbonylContact O-C 3.6Å; F97-A163 WeakPolarHBondContact O-CA 3.26Å; F97-V164 HydrophobicContact CB-CB 4.5Å; F97-V164 PolarHBondContact N-O 2.8Å; F97-V164 PolarHBondContact O-N 3.33Å; F97-T166 HydrophobicContact CD2-CG2 3.83Å; F97-T166 HydrophobicContact CE2-CG2 3.66Å
98V96Very high93.9Very high0 Ų045.8 Ų45.80%021%0.21CC..EExtended strand (participates in β ladder)trans-126.7146-175.7-169.90000109.4L96 V102 I104 E121 H122 V123 A163 M315L96-V98 HydrophobicContact CD1-CG2 4.39Å; L96-V98 HydrophobicContact CD2-CG2 3.69Å; L96-V98 HydrophobicContact CG-CG2 3.63Å; V98-V102 HydrophobicContact CG1-CB 3.62Å; V98-V102 HydrophobicContact CG1-CG1 3.81Å; V98-V102 HydrophobicContact CG1-CG2 3.94Å; V98-I104 HydrophobicContact CB-CD1 3.99Å; V98-I104 HydrophobicContact CG1-CD1 4.42Å; V98-I104 HydrophobicContact CG1-CG1 4.5Å; V98-I104 HydrophobicContact CG2-CD1 3.65Å; V98-I104 HydrophobicContact CG2-CG1 4.38Å; V98-E121 PolarHBondContact N-O 3.27Å; V98-H122 CarbonylContact O-C 3.37Å; V98-H122 VanDerWaalsContact O-CA 3.29Å; V98-H122 WeakPolarHBondContact O-CA 3.5Å; V98-V123 PolarHBondContact O-N 2.88Å; V98-A163 HydrophobicContact CG2-CB 4.44Å; V98-M315 HydrophobicContact CG1-CE 4.14Å; V98-M315 HydrophobicContact CG1-SD 4.49Å; V98-M315 HydrophobicContact CG2-CE 4.21Å
99A94.5Very high94.2Very high3 Ų348.1 Ų48.13%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-52.7140.5171.900000111.5N101 V102 H122 V123 F125 S162A99-N101 WeakPolarHBondContact CB-OD1 3.36Å; A99-N101 PolarHBondContact O-N 2.99Å; A99-V102 HydrophobicContact CB-CG2 4.24Å; A99-V102 PolarHBondContact O-N 2.87Å; A99-V102 VanDerWaalsContact O-N 3.15Å; A99-H122 PolarHBondContact O-ND1 3.45Å; A99-V123 CarbonylContact C-O 3.55Å; A99-V123 WeakPolarHBondContact CA-O 3.22Å; A99-F125 HydrophobicContact CB-CD2 4Å; A99-S162 PolarHBondContact N-O 2.86Å
100Q92.6Very high94.5Very high97 Ų9747.2 Ų47.245%0.45322%0.223SC..THydrogen-bonded Turntrans-61.8-22.8-174.766.8-170.50.600115.1V102 V123 A124 T127Q100-V102 VanDerWaalsContact C-N 3.34Å; Q100-V123 PolarHBondContact N-O 3.36Å; Q100-A124 VanDerWaalsContact OE1-CB 3.24Å; Q100-T127 PolarHBondContact NE2-OG1 2.81Å; Q100-T127 VanDerWaalsContact NE2-OG1 3.17Å
101N89Confident94.7Very high99 Ų9948.5 Ų48.553%0.52923%0.23SC..THydrogen-bonded Turntrans-82.7-8.9179.457.9-11.5000113.5A99 E126A99-N101 WeakPolarHBondContact CB-OD1 3.36Å; A99-N101 PolarHBondContact O-N 2.99Å; N101-E126 PolarHBondContact ND2-OE1 3.06Å
102V91.7Very high94.9Very high8 Ų847.2 Ų47.25%0.04822%0.223CC..  trans-88128.2179.1179.60000109.7V98 A99 Q100 H122 S310 M315V98-V102 HydrophobicContact CG1-CB 3.62Å; V98-V102 HydrophobicContact CG1-CG1 3.81Å; V98-V102 HydrophobicContact CG1-CG2 3.94Å; A99-V102 HydrophobicContact CB-CG2 4.24Å; A99-V102 PolarHBondContact O-N 2.87Å; A99-V102 VanDerWaalsContact O-N 3.15Å; Q100-V102 VanDerWaalsContact C-N 3.34Å; V102-H122 PolarHBondContact O-CE1 3.41Å; V102-S310 WeakPolarHBondContact CG1-OG 3.47Å; V102-M315 HydrophobicContact CG1-SD 3.92Å
103R93.5Very high95Very high217 Ų21753.2 Ų53.282%0.81925%0.248SC*.  trans-90.5108.6173.2-173.8178.3-179.2177.3-0.5110.2S310R103-S310 VanDerWaalsContact O-CB 3.28Å; R103-S310 WeakPolarHBondContact O-CB 3.45Å; R103-S310 PolarHBondContact O-OG 2.93Å
104I95.7Very high95.2Very high7 Ų757.3 Ų57.34%0.03627%0.273CS..  trans-80.8132.9178.9-57.5167.3000110.3V98 F108 K109 T120 H122 V309V98-I104 HydrophobicContact CB-CD1 3.99Å; V98-I104 HydrophobicContact CG1-CD1 4.42Å; V98-I104 HydrophobicContact CG1-CG1 4.5Å; V98-I104 HydrophobicContact CG2-CD1 3.65Å; V98-I104 HydrophobicContact CG2-CG1 4.38Å; I104-F108 HydrophobicContact CG2-CD1 3.76Å; I104-K109 HydrophobicContact CG2-CD 4.4Å; I104-K109 HydrophobicContact CG2-CG 3.72Å; I104-T120 HydrophobicContact CD1-CG2 4.29Å; I104-H122 VanDerWaalsContact CD1-CE1 3.49Å; I104-H122 WeakPolarHBondContact CD1-CE1 3.42Å; I104-V309 CarbonylContact C-O 3.22Å; I104-V309 WeakPolarHBondContact CA-O 3.49Å; I104-V309 HydrophobicContact CG1-CG1 4.47Å; I104-V309 HydrophobicContact CG2-CG1 4.14Å
105K96.5Very high95.2Very high68 Ų6858.2 Ų58.230%0.29628%0.277SS..  trans-63.8134.9174.5-67.8179.3177.6179.10111.1Q107 F108 K109 S307 V309 D311K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 2.95Å; K105-F108 HydrophobicContact CB-CB 4.43Å; K105-F108 PolarHBondContact O-N 3.26Å; K105-F108 VanDerWaalsContact O-N 3.15Å; K105-K109 PolarHBondContact O-N 3.23Å; K105-S307 WeakPolarHBondContact CE-O 3.4Å; K105-S307 PolarHBondContact NZ-O 2.92Å; K105-V309 PolarHBondContact N-O 2.93Å; K105-D311 VanDerWaalsContact CE-CG 3.42Å; K105-D311 WeakPolarHBondContact CE-OD1 3.33Å; K105-D311 WeakPolarHBondContact CE-OD2 3.49Å; K105-D311 IonicContact NZ-OD1 2.74Å; K105-D311 PolarHBondContact NZ-OD1 2.77Å
106E96.4Very high95.1Very high129 Ų12956.6 Ų56.660%0.60327%0.271SS*.Hα-helixtrans-62.8-33.8179.6-68.2-55.8132.900112.6F108 K109 A110E106-F108 VanDerWaalsContact C-N 3.31Å; E106-F108 PolarHBondContact O-N 2.92Å; E106-K109 PolarHBondContact O-N 3.38Å; E106-K109 IonicContact OE1-NZ 3.61Å; E106-K109 PolarHBondContact OE1-NZ 2.73Å; E106-A110 WeakPolarHBondContact O-CB 3.1Å; E106-A110 PolarHBondContact O-N 2.94Å
107Q95.1Very high94.9Very high131 Ų13160.5 Ų60.561%0.61229%0.292SS*.Hα-helixtrans-59.8-42.4175-174.160.641.700111.8K105 A110 N111K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 2.95Å; Q107-A110 PolarHBondContact O-N 2.98Å; Q107-N111 PolarHBondContact NE2-OD1 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.45Å; Q107-N111 PolarHBondContact O-OD1 3.26Å
108F96Very high94.8Very high6 Ų660.5 Ų60.53%0.02629%0.293CS..Hα-helixtrans-66-42.9177.8177.8-100.8000111.6G46 L96 I104 K105 E106 A110 N111 L112 T120 N308 V309G46-F108 VanDerWaalsContact CA-CE2 3.41Å; L96-F108 HydrophobicContact CD2-CE1 3.59Å; L96-F108 HydrophobicContact CD2-CZ 3.98Å; I104-F108 HydrophobicContact CG2-CD1 3.76Å; K105-F108 HydrophobicContact CB-CB 4.43Å; K105-F108 PolarHBondContact O-N 3.26Å; K105-F108 VanDerWaalsContact O-N 3.15Å; E106-F108 VanDerWaalsContact C-N 3.31Å; E106-F108 PolarHBondContact O-N 2.92Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.48Å; F108-N111 PolarHBondContact O-N 3.5Å; F108-L112 HydrophobicContact CD1-CD1 4.15Å; F108-L112 HydrophobicContact CD1-CD2 4.31Å; F108-L112 HydrophobicContact CD2-CD1 3.77Å; F108-L112 HydrophobicContact CE1-CD1 3.7Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.22Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.5Å; F108-L112 HydrophobicContact CE2-CG 4.48Å; F108-L112 HydrophobicContact CG-CD1 4.2Å; F108-L112 HydrophobicContact CZ-CD1 3.23Å; F108-L112 HydrophobicContact CZ-CD2 3.63Å; F108-L112 HydrophobicContact CZ-CG 4.06Å; F108-L112 WeakPolarHBondContact O-CB 3.37Å; F108-L112 PolarHBondContact O-N 3.24Å; F108-T120 HydrophobicContact CE1-CG2 4.24Å; F108-N308 WeakPolarHBondContact CB-O 3.25Å; F108-V309 HydrophobicContact CD1-CB 4.33Å; F108-V309 HydrophobicContact CD1-CG1 3.72Å; F108-V309 HydrophobicContact CD1-CG2 4.29Å; F108-V309 HydrophobicContact CD2-CG2 3.96Å; F108-V309 HydrophobicContact CE1-CB 4.36Å; F108-V309 HydrophobicContact CE1-CG1 3.66Å; F108-V309 HydrophobicContact CE1-CG2 4.01Å; F108-V309 HydrophobicContact CE2-CG2 3.69Å; F108-V309 HydrophobicContact CG-CB 4.41Å; F108-V309 HydrophobicContact CG-CG1 4.27Å; F108-V309 HydrophobicContact CG-CG2 4.24Å; F108-V309 HydrophobicContact CZ-CG1 4.21Å; F108-V309 HydrophobicContact CZ-CG2 3.69Å
109K96.9Very high94.7Very high57 Ų5763.1 Ų63.125%0.24831%0.309CS..Hα-helixtrans-58.7-42.5173.9-62.1-178.1-171.91640111.8I104 K105 E106 L112 K113 T120I104-K109 HydrophobicContact CG2-CD 4.4Å; I104-K109 HydrophobicContact CG2-CG 3.72Å; K105-K109 PolarHBondContact O-N 3.23Å; E106-K109 PolarHBondContact O-N 3.38Å; E106-K109 IonicContact OE1-NZ 3.61Å; E106-K109 PolarHBondContact OE1-NZ 2.73Å; K109-L112 PolarHBondContact O-N 3.14Å; K109-K113 WeakPolarHBondContact O-CB 3.42Å; K109-K113 PolarHBondContact O-N 2.88Å; K109-T120 HydrophobicContact CG-CG2 4.3Å
110A95.9Very high94.8Very high43 Ų4364.4 Ų64.436%0.35532%0.317SS..Hα-helixtrans-64.4-42.1177.600000111.9E106 Q107 F108 K113 T114E106-A110 WeakPolarHBondContact O-CB 3.1Å; E106-A110 PolarHBondContact O-N 2.94Å; Q107-A110 PolarHBondContact O-N 2.98Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.48Å; A110-K113 PolarHBondContact O-N 3.27Å; A110-T114 VanDerWaalsContact O-CB 3.29Å; A110-T114 WeakPolarHBondContact O-CB 3.44Å; A110-T114 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-OG1 3.39Å
111N94.5Very high95Very high46 Ų4661.4 Ų61.425%0.24630%0.303CS..Hα-helixtrans-62.7-45.7175.8-71.2-4000111.4Q107 F108 K113 T114 N115Q107-N111 PolarHBondContact NE2-OD1 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.38Å; Q107-N111 PolarHBondContact O-N 3.45Å; Q107-N111 PolarHBondContact O-OD1 3.26Å; F108-N111 PolarHBondContact O-N 3.5Å; N111-K113 PolarHBondContact O-N 3.35Å; N111-T114 PolarHBondContact O-N 3.43Å; N111-N115 WeakPolarHBondContact O-CB 3.47Å; N111-N115 PolarHBondContact O-N 2.94Å
112L96.1Very high95.3Very high0 Ų060.3 Ų60.30%030%0.295CS..Hα-helixtrans-61.8-44.2178.2-103.866.6000112.7M42 L96 F108 K109 Y116 N117 A118 T120M42-L112 HydrophobicContact CB-CG 4.4Å; M42-L112 HydrophobicContact CE-CD2 3.96Å; M42-L112 HydrophobicContact CE-CG 4.42Å; M42-L112 HydrophobicContact CG-CG 4.38Å; L96-L112 HydrophobicContact CB-CD2 4.22Å; L96-L112 HydrophobicContact CD2-CD2 4.33Å; F108-L112 HydrophobicContact CD1-CD1 4.15Å; F108-L112 HydrophobicContact CD1-CD2 4.31Å; F108-L112 HydrophobicContact CD2-CD1 3.77Å; F108-L112 HydrophobicContact CE1-CD1 3.7Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.22Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.5Å; F108-L112 HydrophobicContact CE2-CG 4.48Å; F108-L112 HydrophobicContact CG-CD1 4.2Å; F108-L112 HydrophobicContact CZ-CD1 3.23Å; F108-L112 HydrophobicContact CZ-CD2 3.63Å; F108-L112 HydrophobicContact CZ-CG 4.06Å; F108-L112 WeakPolarHBondContact O-CB 3.37Å; F108-L112 PolarHBondContact O-N 3.24Å; K109-L112 PolarHBondContact O-N 3.14Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.36Å; L112-Y116 WeakPolarHBondContact O-CB 3.32Å; L112-Y116 PolarHBondContact O-N 3.43Å; L112-Y116 VanDerWaalsContact O-N 3.07Å; L112-N117 PolarHBondContact O-N 3.45Å; L112-A118 CarbonylContact C-O 3.49Å; L112-A118 WeakPolarHBondContact CB-O 3.35Å; L112-A118 PolarHBondContact O-N 3.47Å; L112-T120 HydrophobicContact CD2-CG2 3.69Å
113K95.5Very high95.5Very high154 Ų15460.4 Ų60.467%0.6730%0.295SS*.Hα-helixtrans-63.5-46.2175.8-174.6179179.2-177.50111.8K109 A110 N111 N117K109-K113 WeakPolarHBondContact O-CB 3.42Å; K109-K113 PolarHBondContact O-N 2.88Å; A110-K113 PolarHBondContact O-N 3.27Å; N111-K113 PolarHBondContact O-N 3.35Å; K113-N117 PolarHBondContact O-N 2.77Å
114T94.9Very high95.5Very high93 Ų9351 Ų5157%0.57126%0.263SS*.Hα-helixtrans-71.3-45.5-174.4-57.10000112.3A110 N111A110-T114 VanDerWaalsContact O-CB 3.29Å; A110-T114 WeakPolarHBondContact O-CB 3.44Å; A110-T114 PolarHBondContact O-N 2.9Å; A110-T114 PolarHBondContact O-OG1 3.39Å; N111-T114 PolarHBondContact O-N 3.43Å
115N95.2Very high95.4Very high23 Ų2350.7 Ų50.712%0.12326%0.262CS..Hα-helixtrans-97.1-21.8-168.9-63.7-34000113.8H71 A75 N111H71-N115 HydrophobicContact CB-CB 4.27Å; A75-N115 WeakPolarHBondContact CA-O 3.31Å; A75-N115 HydrophobicContact CB-CB 4.23Å; A75-N115 VanDerWaalsContact CB-O 3.24Å; A75-N115 WeakPolarHBondContact CB-O 3.26Å; N111-N115 WeakPolarHBondContact O-CB 3.47Å; N111-N115 PolarHBondContact O-N 2.94Å
116Y96Very high95.1Very high1 Ų152.1 Ų52.10%0.00427%0.27CS..Hα-helixtrans-127.50.2-171.3-58.4-75.2000114T38 G41 M42 H71 I74 L78 L112 A118T38-Y116 HydrophobicContact CG2-CD1 3.73Å; T38-Y116 HydrophobicContact CG2-CE1 4.49Å; G41-Y116 VanDerWaalsContact CA-OH 3.26Å; G41-Y116 WeakPolarHBondContact CA-OH 3.2Å; G41-Y116 PolarHBondContact O-OH 2.85Å; M42-Y116 HydrophobicContact CG-CD1 3.87Å; M42-Y116 HydrophobicContact CG-CD2 3.8Å; M42-Y116 HydrophobicContact CG-CE1 4.45Å; M42-Y116 HydrophobicContact CG-CE2 4.38Å; M42-Y116 HydrophobicContact CG-CG 3.49Å; M42-Y116 VanDerWaalsContact CG-CG 3.49Å; H71-Y116 PolarHBondContact CE1-OH 3.22Å; H71-Y116 AromaticContact ND1-CZ 3.81Å; H71-Y116 PolarHBondContact ND1-OH 3.19Å; I74-Y116 HydrophobicContact CB-CE1 4.16Å; I74-Y116 HydrophobicContact CD1-CE1 4.14Å; I74-Y116 HydrophobicContact CG2-CD1 3.98Å; I74-Y116 HydrophobicContact CG2-CE1 3.64Å; L78-Y116 VanDerWaalsContact CD2-C 3.44Å; L78-Y116 VanDerWaalsContact CD2-O 3.24Å; L78-Y116 WeakPolarHBondContact CD2-O 3.35Å; L112-Y116 CarbonylContact O-C 3.59Å; L112-Y116 WeakPolarHBondContact O-CA 3.36Å; L112-Y116 WeakPolarHBondContact O-CB 3.32Å; L112-Y116 PolarHBondContact O-N 3.43Å; L112-Y116 VanDerWaalsContact O-N 3.07Å; Y116-A118 PolarHBondContact O-N 3.21Å
117N93.8Very high95Very high88 Ų8851 Ų5147%0.47127%0.272SS..  trans48.430.5-170.7-64.9-33.4000112.4L78 N79 L112 K113L78-N117 HydrophobicContact CD2-CB 4.33Å; N79-N117 PolarHBondContact OD1-ND2 3.21Å; L112-N117 PolarHBondContact O-N 3.45Å; K113-N117 PolarHBondContact O-N 2.77Å
118A95Very high95Very high1 Ų148.9 Ų48.91%0.00827%0.265CS..  trans-113.3114.3-169.300000109.6M42 N94 L112 Y116M42-A118 HydrophobicContact CE-CB 3.53Å; M42-A118 HydrophobicContact CG-CB 4.36Å; M42-A118 HydrophobicContact SD-CB 3.57Å; M42-A118 VanDerWaalsContact SD-CB 3.57Å; N94-A118 HydrophobicContact CB-CB 3.98Å; N94-A118 WeakPolarHBondContact O-CA 3.46Å; L112-A118 CarbonylContact C-O 3.49Å; L112-A118 WeakPolarHBondContact CB-O 3.35Å; L112-A118 PolarHBondContact O-N 3.47Å; Y116-A118 PolarHBondContact O-N 3.21Å
119P93.8Very high94.9Very high54 Ų5450.7 Ų50.735%0.35127%0.274SS..  trans-77.4164.4171.230.3-32.9000111.4R95 L96R95-P119 WeakPolarHBondContact CG-O 3.49Å; L96-P119 PolarHBondContact N-O 2.92Å
120T96.2Very high94.9Very high30 Ų3051.8 Ų51.818%0.18428%0.28CS..EExtended strand (participates in β ladder)trans-104.9143.9167.761.20000109.8L96 I104 F108 K109 L112L96-T120 HydrophobicContact CB-CG2 4.33Å; L96-T120 HydrophobicContact CD2-CG2 4.21Å; L96-T120 CarbonylContact O-C 3.4Å; L96-T120 VanDerWaalsContact O-CA 3.3Å; L96-T120 WeakPolarHBondContact O-CA 3.47Å; I104-T120 HydrophobicContact CD1-CG2 4.29Å; F108-T120 HydrophobicContact CE1-CG2 4.24Å; K109-T120 HydrophobicContact CG-CG2 4.3Å; L112-T120 HydrophobicContact CD2-CG2 3.69Å
121E96.6Very high94.9Very high34 Ų3451 Ų5116%0.15928%0.276CS..EExtended strand (participates in β ladder)trans-134.9135.4175.5-176.7168-172.600111.1R95 L96 F97 V98 V123 R135R95-E121 IonicContact CZ-OE2 2.62Å; R95-E121 IonicContact NH1-OE2 2.8Å; R95-E121 PolarHBondContact NH1-OE2 3.11Å; L96-E121 PolarHBondContact O-N 2.75Å; F97-E121 CarbonylContact C-O 3.48Å; F97-E121 WeakPolarHBondContact CA-O 3.46Å; F97-E121 HydrophobicContact CD1-CB 3.91Å; F97-E121 HydrophobicContact CD1-CG 4.25Å; F97-E121 HydrophobicContact CE1-CB 4.09Å; F97-E121 HydrophobicContact CE1-CG 4.29Å; F97-E121 VanDerWaalsContact CE1-OE2 3.31Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.38Å; V98-E121 PolarHBondContact N-O 3.27Å; E121-V123 HydrophobicContact CG-CG1 4.35Å; E121-R135 IonicContact OE1-CZ 3.38Å; E121-R135 VanDerWaalsContact OE1-CZ 3.25Å; E121-R135 IonicContact OE1-NE 3.78Å; E121-R135 PolarHBondContact OE1-NE 3.25Å; E121-R135 IonicContact OE1-NH2 2.64Å; E121-R135 PolarHBondContact OE1-NH2 3.19Å; E121-R135 IonicContact OE2-NE 2.73Å; E121-R135 IonicContact OE2-NH2 2.85Å
122H96.3Very high95Very high77 Ų7749 Ų4936%0.35627%0.265SS..EExtended strand (participates in β ladder)trans-83.8134.5172.3-73.5-66.1000110.5V98 A99 V102 I104V98-H122 CarbonylContact O-C 3.37Å; V98-H122 VanDerWaalsContact O-CA 3.29Å; V98-H122 WeakPolarHBondContact O-CA 3.5Å; A99-H122 PolarHBondContact O-ND1 3.45Å; V102-H122 PolarHBondContact O-CE1 3.41Å; I104-H122 VanDerWaalsContact CD1-CE1 3.49Å; I104-H122 WeakPolarHBondContact CD1-CE1 3.42Å
123V95.5Very high95Very high9 Ų950 Ų506%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-136.3156.5177.1-64.80000111.2F97 V98 A99 Q100 E121 F125 R135F97-V123 HydrophobicContact CB-CG2 4.16Å; F97-V123 HydrophobicContact CD1-CG1 3.82Å; F97-V123 HydrophobicContact CE1-CG1 4.5Å; V98-V123 PolarHBondContact O-N 2.88Å; A99-V123 CarbonylContact C-O 3.55Å; A99-V123 WeakPolarHBondContact CA-O 3.22Å; Q100-V123 PolarHBondContact N-O 3.36Å; E121-V123 HydrophobicContact CG-CG1 4.35Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 HydrophobicContact CG2-CD1 3.81Å; V123-F125 HydrophobicContact CG2-CD2 3.84Å; V123-F125 HydrophobicContact CG2-CE1 3.35Å; V123-F125 HydrophobicContact CG2-CE2 3.39Å; V123-F125 HydrophobicContact CG2-CG 4.04Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 3.36Å; V123-F125 VanDerWaalsContact O-N 3.15Å; V123-R135 HydrophobicContact CG1-CG 4.49Å
124A94.6Very high95.1Very high19 Ų1946.8 Ų46.816%0.15726%0.259CS..  trans-90.956.2-16900000112.3Q100 E126 T127 D128 S132Q100-A124 VanDerWaalsContact OE1-CB 3.24Å; A124-E126 PolarHBondContact O-N 3.08Å; A124-E126 VanDerWaalsContact O-N 3.15Å; A124-T127 PolarHBondContact O-N 3.34Å; A124-D128 HydrophobicContact CB-CB 4.13Å; A124-D128 CarbonylContact O-C 3.59Å; A124-D128 WeakPolarHBondContact O-CA 3.45Å; A124-D128 PolarHBondContact O-N 3Å; A124-S132 PolarHBondContact N-OG 3.44Å; A124-S132 VanDerWaalsContact N-OG 3.11Å; A124-S132 PolarHBondContact O-OG 3.32Å
125F93.3Very high95.2Very high1 Ų146.3 Ų46.30%0.00425%0.247CC..THydrogen-bonded Turntrans-57.1-31.9-175.4-65.4-50.3000114.3F97 A99 V123 I129 I136 L157 T161 V164F97-F125 HydrophobicContact CB-CZ 4.13Å; A99-F125 HydrophobicContact CB-CD2 4Å; V123-F125 VanDerWaalsContact C-N 3.34Å; V123-F125 HydrophobicContact CG2-CD1 3.81Å; V123-F125 HydrophobicContact CG2-CD2 3.84Å; V123-F125 HydrophobicContact CG2-CE1 3.35Å; V123-F125 HydrophobicContact CG2-CE2 3.39Å; V123-F125 HydrophobicContact CG2-CG 4.04Å; V123-F125 HydrophobicContact CG2-CZ 3.13Å; V123-F125 PolarHBondContact O-N 3.36Å; V123-F125 VanDerWaalsContact O-N 3.15Å; F125-I129 WeakPolarHBondContact O-CG1 3.46Å; F125-I136 HydrophobicContact CE1-CD1 3.99Å; F125-I136 HydrophobicContact CZ-CD1 4.27Å; F125-L157 HydrophobicContact CD1-CD1 4.06Å; F125-L157 HydrophobicContact CE1-CD1 3.84Å; F125-L157 HydrophobicContact CE1-CD2 4.19Å; F125-T161 WeakPolarHBondContact CB-O 3.42Å; F125-T161 HydrophobicContact CD1-CG2 4.04Å; F125-T161 HydrophobicContact CD2-CG2 3.85Å; F125-T161 VanDerWaalsContact CD2-O 3.24Å; F125-T161 WeakPolarHBondContact CD2-O 3.45Å; F125-T161 HydrophobicContact CE1-CG2 4.02Å; F125-T161 HydrophobicContact CE2-CG2 3.83Å; F125-T161 HydrophobicContact CG-CG2 3.96Å; F125-T161 HydrophobicContact CZ-CG2 3.91Å; F125-V164 HydrophobicContact CE1-CG2 4.38Å; F125-V164 HydrophobicContact CZ-CB 4.38Å; F125-V164 HydrophobicContact CZ-CG2 3.87Å
126E90Very high95.3Very high98 Ų9845.2 Ų45.246%0.45824%0.241SC..THydrogen-bonded Turntrans-82.6-33-178.7-67.1174.4-166.900113.5N101 A124N101-E126 PolarHBondContact ND2-OE1 3.06Å; A124-E126 PolarHBondContact O-N 3.08Å; A124-E126 VanDerWaalsContact O-N 3.15Å
127T93Very high95.3Very high107 Ų10745.7 Ų45.766%0.65624%0.244SC*.THydrogen-bonded Turntrans-109.3-22.1-170.256.20000113.7Q100 A124Q100-T127 PolarHBondContact NE2-OG1 2.81Å; Q100-T127 VanDerWaalsContact NE2-OG1 3.17Å; A124-T127 PolarHBondContact O-N 3.34Å
128D95.2Very high95.4Very high85 Ų8546.3 Ų46.346%0.45524%0.244SC..  trans-151.875.6-179.4-175.412.9000111A124 G131 S132A124-D128 HydrophobicContact CB-CB 4.13Å; A124-D128 CarbonylContact O-C 3.59Å; A124-D128 WeakPolarHBondContact O-CA 3.45Å; A124-D128 PolarHBondContact O-N 3Å; D128-G131 WeakPolarHBondContact OD1-CA 3.49Å; D128-G131 PolarHBondContact OD1-N 3.18Å; D128-G131 WeakPolarHBondContact OD2-CA 3.33Å; D128-S132 WeakPolarHBondContact O-CB 3.45Å; D128-S132 PolarHBondContact O-N 2.75Å; D128-S132 PolarHBondContact O-OG 3.39Å
129I95Very high95.5Very high44 Ų4446.5 Ų46.523%0.22624%0.244CC..Hα-helixtrans-59.6-47.4179.9-63.4165.2000111.3F125 S132 R133 L157 N159F125-I129 WeakPolarHBondContact O-CG1 3.46Å; I129-S132 WeakPolarHBondContact O-CB 3.37Å; I129-S132 PolarHBondContact O-N 3.06Å; I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 3.12Å; I129-L157 HydrophobicContact CG2-CB 3.66Å; I129-N159 WeakPolarHBondContact CD1-OD1 3.49Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.08Å
130E96Very high95.5Very high81 Ų8144 Ų4438%0.37923%0.228SC..Hα-helixtrans-71.4-38-174.8-74.2-59.1131.200111.7S132 R133 N134E130-S132 VanDerWaalsContact C-N 3.33Å; E130-R133 PolarHBondContact O-N 2.97Å; E130-R133 IonicContact OE1-NE 2.87Å; E130-R133 IonicContact OE2-CZ 3.53Å; E130-R133 VanDerWaalsContact OE2-CZ 3.24Å; E130-R133 IonicContact OE2-NE 3.96Å; E130-R133 PolarHBondContact OE2-NE 3.5Å; E130-R133 IonicContact OE2-NH2 3.25Å; E130-R133 PolarHBondContact OE2-NH2 2.94Å; E130-N134 WeakPolarHBondContact O-CB 3.31Å; E130-N134 PolarHBondContact O-N 2.97Å; E130-N134 PolarHBondContact O-ND2 3.12Å
131G96.5Very high95.4Very high25 Ų2544.1 Ų44.126%0.25823%0.23SC..Hα-helixtrans-61.3-41.8169.700000112.2D128 N134 R135D128-G131 WeakPolarHBondContact OD1-CA 3.49Å; D128-G131 PolarHBondContact OD1-N 3.18Å; D128-G131 WeakPolarHBondContact OD2-CA 3.33Å; G131-N134 PolarHBondContact O-N 3.33Å; G131-R135 VanDerWaalsContact O-CB 3.27Å; G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 PolarHBondContact O-N 3.46Å
132S96.7Very high95.4Very high4 Ų447.1 Ų47.13%0.02824%0.244CC..Hα-helixtrans-62.9-44174.7-58.70000112.1A124 D128 I129 E130 R135 I136A124-S132 PolarHBondContact N-OG 3.44Å; A124-S132 VanDerWaalsContact N-OG 3.11Å; A124-S132 PolarHBondContact O-OG 3.32Å; D128-S132 WeakPolarHBondContact O-CB 3.45Å; D128-S132 PolarHBondContact O-N 2.75Å; D128-S132 PolarHBondContact O-OG 3.39Å; I129-S132 WeakPolarHBondContact O-CB 3.37Å; I129-S132 PolarHBondContact O-N 3.06Å; E130-S132 VanDerWaalsContact C-N 3.33Å; S132-R135 PolarHBondContact O-N 3.33Å; S132-I136 VanDerWaalsContact O-CG1 3.3Å; S132-I136 WeakPolarHBondContact O-CG1 2.9Å; S132-I136 PolarHBondContact O-N 2.67Å
133R96.5Very high95.1Very high23 Ų2347.3 Ų47.39%0.08725%0.245CC..Hα-helixtrans-59.4-50.2175.7-170.2-176.464.572.810111.2I129 E130 R135 I136 N137 E150 L152 S153 L157I129-R133 WeakPolarHBondContact O-CB 3.39Å; I129-R133 PolarHBondContact O-N 3.12Å; E130-R133 PolarHBondContact O-N 2.97Å; E130-R133 IonicContact OE1-NE 2.87Å; E130-R133 IonicContact OE2-CZ 3.53Å; E130-R133 VanDerWaalsContact OE2-CZ 3.24Å; E130-R133 IonicContact OE2-NE 3.96Å; E130-R133 PolarHBondContact OE2-NE 3.5Å; E130-R133 IonicContact OE2-NH2 3.25Å; E130-R133 PolarHBondContact OE2-NH2 2.94Å; R133-R135 VanDerWaalsContact C-N 3.33Å; R133-R135 PolarHBondContact O-N 2.84Å; R133-I136 PolarHBondContact O-N 3.5Å; R133-N137 PolarHBondContact NH1-ND2 3.45Å; R133-N137 PolarHBondContact O-N 3.35Å; R133-E150 IonicContact NH1-OE1 3.24Å; R133-L152 HydrophobicContact CG-CB 3.77Å; R133-L152 HydrophobicContact CG-CD1 4.47Å; R133-L152 PolarHBondContact NH1-O 2.75Å; R133-S153 WeakPolarHBondContact CD-O 2.96Å; R133-L157 HydrophobicContact CB-CD1 3.93Å; R133-L157 HydrophobicContact CG-CD1 4.48Å
134N97.1Very high94.9Very high85 Ų8546.9 Ų46.946%0.45524%0.243SC..Hα-helixtrans-63.2-39.9179.4-71.2-27.7000111.5E130 G131 N137 Q138E130-N134 WeakPolarHBondContact O-CB 3.31Å; E130-N134 PolarHBondContact O-N 2.97Å; E130-N134 PolarHBondContact O-ND2 3.12Å; G131-N134 PolarHBondContact O-N 3.33Å; N134-N137 PolarHBondContact O-N 2.87Å; N134-Q138 VanDerWaalsContact O-CB 3.26Å; N134-Q138 WeakPolarHBondContact O-CB 3.33Å; N134-Q138 PolarHBondContact O-N 2.84Å
135R97.1Very high94.6Very high83 Ų8352.4 Ų52.431%0.31326%0.263SS..Hα-helixtrans-61.6-45.1176.7177.457.1-174.5150.13.6112.2E121 V123 G131 S132 R133 Q138 W139E121-R135 IonicContact OE1-CZ 3.38Å; E121-R135 VanDerWaalsContact OE1-CZ 3.25Å; E121-R135 IonicContact OE1-NE 3.78Å; E121-R135 PolarHBondContact OE1-NE 3.25Å; E121-R135 IonicContact OE1-NH2 2.64Å; E121-R135 PolarHBondContact OE1-NH2 3.19Å; E121-R135 IonicContact OE2-NE 2.73Å; E121-R135 IonicContact OE2-NH2 2.85Å; V123-R135 HydrophobicContact CG1-CG 4.49Å; G131-R135 VanDerWaalsContact O-CB 3.27Å; G131-R135 WeakPolarHBondContact O-CB 3.41Å; G131-R135 PolarHBondContact O-N 3.46Å; S132-R135 PolarHBondContact O-N 3.33Å; R133-R135 VanDerWaalsContact C-N 3.33Å; R133-R135 PolarHBondContact O-N 2.84Å; R135-Q138 PolarHBondContact O-N 3.32Å; R135-W139 PolarHBondContact O-N 2.82Å
136I96.5Very high94.5Very high0 Ų053.5 Ų53.50%028%0.275CS..Hα-helixtrans-64-48.1177.4-66.5167.6000110.3F97 F125 S132 R133 Q138 W139 V140 L152 L157 T166F97-I136 HydrophobicContact CB-CD1 4.18Å; F97-I136 HydrophobicContact CB-CG1 4.48Å; F97-I136 HydrophobicContact CD1-CD1 4.25Å; F97-I136 HydrophobicContact CD1-CG1 3.65Å; F97-I136 HydrophobicContact CD2-CD1 4.2Å; F97-I136 HydrophobicContact CD2-CG1 3.91Å; F97-I136 HydrophobicContact CD2-CG2 4.3Å; F97-I136 HydrophobicContact CE1-CB 4.45Å; F97-I136 HydrophobicContact CE1-CG1 3.65Å; F97-I136 HydrophobicContact CE2-CB 4.33Å; F97-I136 HydrophobicContact CE2-CG1 3.92Å; F97-I136 HydrophobicContact CE2-CG2 3.85Å; F97-I136 HydrophobicContact CG-CD1 3.96Å; F97-I136 HydrophobicContact CG-CG1 3.75Å; F97-I136 HydrophobicContact CZ-CB 4.16Å; F97-I136 HydrophobicContact CZ-CG1 3.76Å; F97-I136 HydrophobicContact CZ-CG2 4.1Å; F125-I136 HydrophobicContact CE1-CD1 3.99Å; F125-I136 HydrophobicContact CZ-CD1 4.27Å; S132-I136 VanDerWaalsContact O-CG1 3.3Å; S132-I136 WeakPolarHBondContact O-CG1 2.9Å; S132-I136 PolarHBondContact O-N 2.67Å; R133-I136 PolarHBondContact O-N 3.5Å; I136-Q138 PolarHBondContact O-N 3.15Å; I136-W139 PolarHBondContact O-N 3.11Å; I136-V140 HydrophobicContact CG2-CG2 4.48Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.34Å; I136-V140 PolarHBondContact O-N 3.1Å; I136-L152 HydrophobicContact CB-CD1 3.85Å; I136-L152 HydrophobicContact CD1-CD1 3.59Å; I136-L152 HydrophobicContact CG1-CD1 4.3Å; I136-L152 HydrophobicContact CG2-CD1 3.66Å; I136-L152 HydrophobicContact CG2-CG 4.13Å; I136-L157 HydrophobicContact CD1-CD1 4.37Å; I136-T166 HydrophobicContact CG2-CG2 3.97Å
137N96.3Very high94.4Very high11 Ų1151.3 Ų51.36%0.05927%0.265CS..Hα-helixtrans-61.3-42.4177.9-78.6-23.5000112.5R133 N134 V140 S141 L151 L152R133-N137 PolarHBondContact NH1-ND2 3.45Å; R133-N137 PolarHBondContact O-N 3.35Å; N134-N137 PolarHBondContact O-N 2.87Å; N137-V140 PolarHBondContact O-N 2.96Å; N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 2.91Å; N137-L151 PolarHBondContact OD1-N 2.93Å; N137-L152 PolarHBondContact ND2-O 2.92Å; N137-L152 PolarHBondContact OD1-N 3.47Å
138Q97.1Very high94.1Very high101 Ų10146.2 Ų46.247%0.47223%0.233SC..Hα-helixtrans-59.2-49175.2-179.7-175.8-6.800110.9N134 R135 I136 V140 S141 E142N134-Q138 VanDerWaalsContact O-CB 3.26Å; N134-Q138 WeakPolarHBondContact O-CB 3.33Å; N134-Q138 PolarHBondContact O-N 2.84Å; R135-Q138 PolarHBondContact O-N 3.32Å; I136-Q138 PolarHBondContact O-N 3.15Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.25Å; Q138-S141 WeakPolarHBondContact O-CB 3.15Å; Q138-S141 PolarHBondContact O-N 3.37Å; Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.33Å; Q138-E142 PolarHBondContact NE2-OE1 3.01Å; Q138-E142 WeakPolarHBondContact O-CG 3.45Å; Q138-E142 PolarHBondContact O-N 3.12Å
139W96.6Very high93.9Very high6 Ų649.1 Ų49.12%0.02324%0.244CC..Hα-helixtrans-59.9-45.3178.8174.669.7000111.8A93 R95 F97 R135 I136 S141 E142 Q143 T166A93-W139 HydrophobicContact CB-CH2 4.04Å; R95-W139 HydrophobicContact CB-CE3 4.24Å; R95-W139 HydrophobicContact CB-CH2 3.33Å; R95-W139 HydrophobicContact CB-CZ2 3.7Å; R95-W139 HydrophobicContact CB-CZ3 3.65Å; R95-W139 HydrophobicContact CG-CH2 4.42Å; R95-W139 HydrophobicContact CG-CZ2 4.45Å; F97-W139 AromaticContact CE2-CE3 3.96Å; F97-W139 HydrophobicContact CE2-CE3 3.96Å; F97-W139 HydrophobicContact CE2-CZ3 4.31Å; F97-W139 HydrophobicContact CZ-CB 4.32Å; F97-W139 HydrophobicContact CZ-CD2 4.08Å; F97-W139 AromaticContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CG 4.32Å; R135-W139 PolarHBondContact O-N 2.82Å; I136-W139 PolarHBondContact O-N 3.11Å; W139-S141 VanDerWaalsContact C-N 3.32Å; W139-S141 PolarHBondContact O-N 2.9Å; W139-E142 PolarHBondContact O-N 3.35Å; W139-Q143 HydrophobicContact CD2-CG 3.96Å; W139-Q143 HydrophobicContact CG-CG 4.44Å; W139-Q143 HydrophobicContact CH2-CG 4.07Å; W139-Q143 HydrophobicContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact NE1-CG 3.31Å; W139-Q143 WeakPolarHBondContact O-CG 3.36Å; W139-Q143 PolarHBondContact O-N 3.5Å; W139-T166 VanDerWaalsContact CZ3-OG1 3.31Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.31Å
140V94Very high93.7Very high0 Ų051.6 Ų51.60%026%0.255CS..Hα-helixtrans-59.7-44.1176.9171.70000111I136 N137 Q138 Q143 T144 I148 L151 T168I136-V140 HydrophobicContact CG2-CG2 4.48Å; I136-V140 VanDerWaalsContact O-CG2 3.31Å; I136-V140 WeakPolarHBondContact O-CG2 3.34Å; I136-V140 PolarHBondContact O-N 3.1Å; N137-V140 PolarHBondContact O-N 2.96Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.25Å; V140-Q143 PolarHBondContact O-N 3.16Å; V140-T144 HydrophobicContact CG1-CG2 4.33Å; V140-T144 WeakPolarHBondContact O-CB 3.5Å; V140-T144 VanDerWaalsContact O-CG2 3.25Å; V140-T144 WeakPolarHBondContact O-CG2 3.43Å; V140-T144 PolarHBondContact O-N 2.99Å; V140-T144 PolarHBondContact O-OG1 3.14Å; V140-I148 HydrophobicContact CG1-CB 3.7Å; V140-I148 HydrophobicContact CG1-CG2 3.45Å; V140-I148 VanDerWaalsContact CG1-CG2 3.45Å; V140-L151 HydrophobicContact CG1-CB 4.29Å; V140-L151 HydrophobicContact CG2-CB 4.15Å; V140-L151 HydrophobicContact CG2-CD2 3.71Å; V140-T168 HydrophobicContact CG1-CG2 3.79Å; V140-T168 HydrophobicContact CG2-CG2 4.12Å
141S94.4Very high93.5Very high33 Ų3348 Ų4823%0.23124%0.238CC..Hα-helixtrans-60.5-45.9176.8-173.40000111.5N137 Q138 W139 T144 K145 G146 I148N137-S141 WeakPolarHBondContact O-CB 3.25Å; N137-S141 PolarHBondContact O-N 2.91Å; Q138-S141 WeakPolarHBondContact O-CB 3.15Å; Q138-S141 PolarHBondContact O-N 3.37Å; W139-S141 VanDerWaalsContact C-N 3.32Å; W139-S141 PolarHBondContact O-N 2.9Å; S141-T144 CarbonylContact O-C 3.51Å; S141-T144 PolarHBondContact O-N 2.99Å; S141-T144 PolarHBondContact O-OG1 3.43Å; S141-K145 PolarHBondContact O-N 2.75Å; S141-G146 PolarHBondContact O-N 3.17Å; S141-I148 WeakPolarHBondContact CA-O 3.22Å; S141-I148 PolarHBondContact N-O 3.07Å
142E95.6Very high93.4Very high97 Ų9746.9 Ų46.945%0.45323%0.226SC..Hα-helixtrans-59.9-49176.4-72.3167.4-175.700111.8Q138 W139 T144 K145Q138-E142 HydrophobicContact CG-CG 4.49Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.33Å; Q138-E142 PolarHBondContact NE2-OE1 3.01Å; Q138-E142 WeakPolarHBondContact O-CG 3.45Å; Q138-E142 PolarHBondContact O-N 3.12Å; W139-E142 PolarHBondContact O-N 3.35Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 2.93Å; E142-K145 PolarHBondContact O-N 3.2Å
143Q91Very high93.2Very high82 Ų8248.6 Ų48.638%0.38324%0.238SC..Hα-helixtrans-64.6-35.5-179.8-64.6-43.4-69.100112.3I91 A93 W139 V140 K145I91-Q143 WeakPolarHBondContact CD1-O 3.36Å; I91-Q143 WeakPolarHBondContact CG2-O 3.36Å; A93-Q143 HydrophobicContact CB-CB 3.78Å; A93-Q143 HydrophobicContact CB-CG 4.14Å; W139-Q143 HydrophobicContact CD2-CG 3.96Å; W139-Q143 HydrophobicContact CG-CG 4.44Å; W139-Q143 HydrophobicContact CH2-CG 4.07Å; W139-Q143 HydrophobicContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.4Å; W139-Q143 VanDerWaalsContact NE1-CG 3.31Å; W139-Q143 WeakPolarHBondContact O-CG 3.36Å; W139-Q143 PolarHBondContact O-N 3.5Å; V140-Q143 PolarHBondContact O-N 3.16Å; Q143-K145 VanDerWaalsContact C-N 3.33Å
144T89.5Confident92.9Very high0 Ų051.9 Ų51.90%026%0.264CS..THydrogen-bonded Turntrans-94.413.8-177.2650000112.3V140 S141 E142 G146 Q147 I148V140-T144 HydrophobicContact CG1-CG2 4.33Å; V140-T144 WeakPolarHBondContact O-CB 3.5Å; V140-T144 VanDerWaalsContact O-CG2 3.25Å; V140-T144 WeakPolarHBondContact O-CG2 3.43Å; V140-T144 PolarHBondContact O-N 2.99Å; V140-T144 PolarHBondContact O-OG1 3.14Å; S141-T144 CarbonylContact O-C 3.51Å; S141-T144 PolarHBondContact O-N 2.99Å; S141-T144 PolarHBondContact O-OG1 3.43Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 2.93Å; T144-G146 VanDerWaalsContact C-N 3.26Å; T144-G146 PolarHBondContact O-N 2.81Å; T144-Q147 VanDerWaalsContact O-CB 3.23Å; T144-Q147 WeakPolarHBondContact O-CB 3.2Å; T144-Q147 WeakPolarHBondContact O-CG 3.48Å; T144-Q147 PolarHBondContact O-N 2.98Å; T144-I148 HydrophobicContact CG2-CB 4.14Å; T144-I148 HydrophobicContact CG2-CD1 3.94Å; T144-I148 HydrophobicContact CG2-CG1 4.11Å; T144-I148 PolarHBondContact OG1-N 3.02Å; T144-I148 PolarHBondContact OG1-O 3.21Å
145K90.2Very high92.6Very high134 Ų13450.7 Ų50.758%0.58327%0.272SS*.THydrogen-bonded Turntrans52.642.9179.3-54.7-179.2179.2-178.20113E89 I91 S141 E142 Q143 Q147E89-K145 VanDerWaalsContact OE1-CE 3.26Å; E89-K145 WeakPolarHBondContact OE1-CE 2.89Å; E89-K145 IonicContact OE1-NZ 3.68Å; E89-K145 PolarHBondContact OE1-NZ 3Å; I91-K145 HydrophobicContact CD1-CD 4.33Å; I91-K145 HydrophobicContact CD1-CG 4.29Å; S141-K145 PolarHBondContact O-N 2.75Å; E142-K145 PolarHBondContact O-N 3.2Å; Q143-K145 VanDerWaalsContact C-N 3.33Å; K145-Q147 PolarHBondContact O-N 3.33Å; K145-Q147 PolarHBondContact O-NE2 3.41Å; K145-Q147 VanDerWaalsContact O-NE2 3.1Å
146G90.3Very high92.2Very high25 Ų2547.6 Ų47.626%0.25826%0.263SS..THydrogen-bonded Turntrans737-179.500000115S141 T144 Q149S141-G146 PolarHBondContact O-N 3.17Å; T144-G146 VanDerWaalsContact C-N 3.26Å; T144-G146 PolarHBondContact O-N 2.81Å; G146-Q149 WeakPolarHBondContact O-CG 3.25Å; G146-Q149 PolarHBondContact O-NE2 3.46Å
147Q87Confident92.1Very high51 Ų5148.2 Ų48.224%0.23827%0.266CS..SBendtrans-75-38.2-179.3-56.6-50.3-58.800111.5T144 K145 Y170 I325T144-Q147 VanDerWaalsContact O-CB 3.23Å; T144-Q147 WeakPolarHBondContact O-CB 3.2Å; T144-Q147 WeakPolarHBondContact O-CG 3.48Å; T144-Q147 PolarHBondContact O-N 2.98Å; K145-Q147 PolarHBondContact O-N 3.33Å; K145-Q147 PolarHBondContact O-NE2 3.41Å; K145-Q147 VanDerWaalsContact O-NE2 3.1Å; Q147-Y170 HydrophobicContact CB-CD2 3.97Å; Q147-Y170 HydrophobicContact CB-CE2 4.16Å; Q147-Y170 HydrophobicContact CG-CD2 3.85Å; Q147-Y170 HydrophobicContact CG-CE1 4.45Å; Q147-Y170 HydrophobicContact CG-CE2 3.61Å; Q147-Y170 HydrophobicContact CG-CG 4.36Å; Q147-I325 VanDerWaalsContact C-CD1 3.41Å; Q147-I325 HydrophobicContact CB-CD1 3.88Å; Q147-I325 WeakPolarHBondContact O-CD1 3.37Å
148I88Confident91.9Very high1 Ų151.2 Ų51.21%0.00529%0.285CS..  trans-109.898.5171.9-57.3175.8000108.6V140 S141 T144 T168 K323 I325V140-I148 HydrophobicContact CG1-CB 3.7Å; V140-I148 HydrophobicContact CG1-CG2 3.45Å; V140-I148 VanDerWaalsContact CG1-CG2 3.45Å; S141-I148 WeakPolarHBondContact CA-O 3.22Å; S141-I148 PolarHBondContact N-O 3.07Å; T144-I148 HydrophobicContact CG2-CB 4.14Å; T144-I148 HydrophobicContact CG2-CD1 3.94Å; T144-I148 HydrophobicContact CG2-CG1 4.11Å; T144-I148 PolarHBondContact OG1-N 3.02Å; T144-I148 PolarHBondContact OG1-O 3.21Å; I148-T168 HydrophobicContact CD1-CG2 4.41Å; I148-K323 HydrophobicContact CD1-CB 4.1Å; I148-K323 HydrophobicContact CD1-CG 3.99Å; I148-K323 WeakPolarHBondContact CD1-O 3.46Å; I148-K323 HydrophobicContact CG1-CG 4.37Å; I148-K323 HydrophobicContact CG2-CD 3.91Å; I148-K323 HydrophobicContact CG2-CG 4.27Å; I148-I325 HydrophobicContact CB-CD1 4.38Å; I148-I325 HydrophobicContact CD1-CD1 4.22Å; I148-I325 HydrophobicContact CD1-CG1 4.26Å; I148-I325 HydrophobicContact CG1-CD1 3.3Å; I148-I325 HydrophobicContact CG1-CG1 3.85Å
149Q90.3Very high91.5Very high145 Ų14550.8 Ų50.868%0.67829%0.286SS*.  trans-86.2-34.8-179.8-61.5-179.317.900112.8G146G146-Q149 WeakPolarHBondContact O-CG 3.25Å; G146-Q149 PolarHBondContact O-NE2 3.46Å
150E90.9Very high91.1Very high97 Ų9756.8 Ų56.845%0.45332%0.319SS..  trans-127.5111.6178.9-168.6178-116.300110.1R133R133-E150 IonicContact NH1-OE1 3.24Å
151L93Very high91Very high4 Ų457.2 Ų57.22%0.02132%0.321CS..SBendtrans-96.1-41168.1-177.670.4000110.5N137 V140 T166 T168 A283 M321 K323N137-L151 PolarHBondContact OD1-N 2.93Å; V140-L151 HydrophobicContact CG1-CB 4.29Å; V140-L151 HydrophobicContact CG2-CB 4.15Å; V140-L151 HydrophobicContact CG2-CD2 3.71Å; L151-T166 HydrophobicContact CD2-CG2 3.54Å; L151-T168 HydrophobicContact CD1-CG2 3.72Å; L151-T168 HydrophobicContact CD2-CG2 3.78Å; L151-T168 HydrophobicContact CG-CG2 4.33Å; L151-A283 HydrophobicContact CD1-CB 3.71Å; L151-A283 HydrophobicContact CG-CB 4.4Å; L151-A283 WeakPolarHBondContact O-CB 3.5Å; L151-M321 HydrophobicContact CD1-CB 4.23Å; L151-M321 HydrophobicContact CD2-CB 3.86Å; L151-M321 HydrophobicContact CG-CB 4.01Å; L151-K323 HydrophobicContact CD1-CB 3.63Å
152L93.4Very high91Very high2 Ų256.1 Ų56.11%0.0131%0.313CS..SBendtrans-107.9108.5-178.6-66.8-173.9000110.2R133 I136 N137 S156 L157 M321R133-L152 HydrophobicContact CG-CB 3.77Å; R133-L152 HydrophobicContact CG-CD1 4.47Å; R133-L152 PolarHBondContact NH1-O 2.75Å; I136-L152 HydrophobicContact CB-CD1 3.85Å; I136-L152 HydrophobicContact CD1-CD1 3.59Å; I136-L152 HydrophobicContact CG1-CD1 4.3Å; I136-L152 HydrophobicContact CG2-CD1 3.66Å; I136-L152 HydrophobicContact CG2-CG 4.13Å; N137-L152 PolarHBondContact ND2-O 2.92Å; N137-L152 PolarHBondContact OD1-N 3.47Å; L152-S156 WeakPolarHBondContact CB-OG 3.46Å; L152-L157 HydrophobicContact CD1-CD1 3.87Å; L152-L157 HydrophobicContact CD1-CD2 3.91Å; L152-L157 HydrophobicContact CD1-CG 3.98Å; L152-M321 HydrophobicContact CD2-CE 3.84Å; L152-M321 HydrophobicContact CD2-CG 3.62Å; L152-M321 HydrophobicContact CD2-SD 4.02Å
153S92.2Very high91Very high40 Ų4051.5 Ų51.528%0.2829%0.292SS..  trans-70.5160.6173.364.10000111.5R133 G155 S156R133-S153 WeakPolarHBondContact CD-O 2.96Å; S153-G155 PolarHBondContact O-N 2.96Å; S153-S156 WeakPolarHBondContact O-CB 3.47Å; S153-S156 PolarHBondContact O-N 2.72Å; S153-S156 PolarHBondContact O-OG 2.59Å
154C90.9Very high91.3Very high92 Ų9247.7 Ų47.762%0.62227%0.274SS*.THydrogen-bonded Turntrans-50.6138.1171.6-61.30000111.6S156C154-S156 PolarHBondContact O-N 3.07Å
155G89.9Confident91.7Very high61 Ų6147.8 Ų47.863%0.62928%0.275SS*.THydrogen-bonded Turntrans718.4-176.900000115.4S153 L157S153-G155 PolarHBondContact O-N 2.96Å; G155-L157 VanDerWaalsContact C-N 3.3Å
156S89.8Confident92Very high18 Ų1841.4 Ų41.413%0.12625%0.247CC..SBendtrans-72.8-24.6176.468.30000113.5L152 S153 C154L152-S156 WeakPolarHBondContact CB-OG 3.46Å; S153-S156 WeakPolarHBondContact O-CB 3.47Å; S153-S156 PolarHBondContact O-N 2.72Å; S153-S156 PolarHBondContact O-OG 2.59Å; C154-S156 PolarHBondContact O-N 3.07Å
157L93.1Very high92.2Very high12 Ų1240.2 Ų40.26%0.06324%0.235CC..  trans-108.1153.1179.2-60.4-179000110F125 I129 R133 I136 L152 G155 T161 V164F125-L157 HydrophobicContact CD1-CD1 4.06Å; F125-L157 HydrophobicContact CE1-CD1 3.84Å; F125-L157 HydrophobicContact CE1-CD2 4.19Å; I129-L157 HydrophobicContact CG2-CB 3.66Å; R133-L157 HydrophobicContact CB-CD1 3.93Å; R133-L157 HydrophobicContact CG-CD1 4.48Å; I136-L157 HydrophobicContact CD1-CD1 4.37Å; L152-L157 HydrophobicContact CD1-CD1 3.87Å; L152-L157 HydrophobicContact CD1-CD2 3.91Å; L152-L157 HydrophobicContact CD1-CG 3.98Å; G155-L157 VanDerWaalsContact C-N 3.3Å; L157-T161 HydrophobicContact CD2-CG2 4.17Å; L157-V164 HydrophobicContact CD2-CG2 3.86Å
158T92.1Very high92.4Very high75 Ų7537.8 Ų37.846%0.4622%0.223SC..  trans-135.7166.4177.865.40000110.6D160 T161T158-D160 PolarHBondContact O-N 3.29Å; T158-T161 PolarHBondContact N-OG1 2.76Å; T158-T161 WeakPolarHBondContact O-CB 3.33Å; T158-T161 PolarHBondContact O-N 3.36Å; T158-T161 PolarHBondContact O-OG1 3.01Å; T158-T161 PolarHBondContact OG1-OG1 3.39Å
159N89Confident92.6Very high91 Ų9137.7 Ų37.749%0.48722%0.223SC..THydrogen-bonded Turntrans-61-24.3175.7-71.8-2.5000113I129 T161I129-N159 WeakPolarHBondContact CD1-OD1 3.49Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.08Å; N159-T161 PolarHBondContact O-N 3.12Å
160D89.4Confident92.6Very high133 Ų13331.3 Ų31.371%0.71119%0.193SC*.THydrogen-bonded Turntrans-83.24177.4-58.5-35000112.6T158 S162 F316T158-D160 PolarHBondContact O-N 3.29Å; D160-S162 PolarHBondContact O-N 2.75Å; D160-F316 VanDerWaalsContact O-CZ 3.26Å; D160-F316 WeakPolarHBondContact O-CZ 3.36Å
161T92Very high92.5Very high8 Ų826.7 Ų26.75%0.04917%0.171CC..  trans-68.9118.2179.1-51.10000109.8F125 L157 T158 N159 V164 S318F125-T161 WeakPolarHBondContact CB-O 3.42Å; F125-T161 HydrophobicContact CD1-CG2 4.04Å; F125-T161 HydrophobicContact CD2-CG2 3.85Å; F125-T161 VanDerWaalsContact CD2-O 3.24Å; F125-T161 WeakPolarHBondContact CD2-O 3.45Å; F125-T161 HydrophobicContact CE1-CG2 4.02Å; F125-T161 HydrophobicContact CE2-CG2 3.83Å; F125-T161 HydrophobicContact CG-CG2 3.96Å; F125-T161 HydrophobicContact CZ-CG2 3.91Å; L157-T161 HydrophobicContact CD2-CG2 4.17Å; T158-T161 PolarHBondContact N-OG1 2.76Å; T158-T161 WeakPolarHBondContact O-CB 3.33Å; T158-T161 PolarHBondContact O-N 3.36Å; T158-T161 PolarHBondContact O-OG1 3.01Å; T158-T161 PolarHBondContact OG1-OG1 3.39Å; N159-T161 PolarHBondContact O-N 3.12Å; T161-V164 HydrophobicContact CG2-CG2 3.59Å; T161-S318 WeakPolarHBondContact CA-OG 3.24Å
162S92.9Very high92.3Very high10 Ų1031.3 Ų31.37%0.0719%0.191CC..  trans-95.8-49.8179.5-178.70000111.6A99 D160 R314 F316 S318A99-S162 PolarHBondContact N-O 2.86Å; D160-S162 PolarHBondContact O-N 2.75Å; S162-R314 PolarHBondContact OG-O 2.91Å; S162-F316 VanDerWaalsContact CB-CE1 3.48Å; S162-F316 WeakPolarHBondContact CB-O 3.43Å; S162-F316 PolarHBondContact OG-N 3.37Å; S162-F316 PolarHBondContact OG-O 3.42Å; S162-S318 PolarHBondContact N-OG 2.93Å
163A96.4Very high92.1Very high0 Ų031.7 Ų31.70%020%0.196CC..EExtended strand (participates in β ladder)trans-150.4144.5176.400000112.7L96 F97 V98 M315 F316 I317 S318L96-A163 HydrophobicContact CD1-CB 4.21Å; F97-A163 CarbonylContact O-C 3.6Å; F97-A163 WeakPolarHBondContact O-CA 3.26Å; V98-A163 HydrophobicContact CG2-CB 4.44Å; A163-M315 HydrophobicContact CB-CE 4Å; A163-F316 PolarHBondContact N-O 2.83Å; A163-I317 HydrophobicContact CB-CD1 4.03Å; A163-S318 WeakPolarHBondContact O-CB 3.28Å; A163-S318 PolarHBondContact O-N 2.64Å
164V97.1Very high92Very high3 Ų331.8 Ų31.82%0.01819%0.192CC..EExtended strand (participates in β ladder)trans-124.5123.8176.4179.60000108.8F97 F125 L157 T161 T166 M321F97-V164 HydrophobicContact CB-CB 4.5Å; F97-V164 PolarHBondContact N-O 2.8Å; F97-V164 PolarHBondContact O-N 3.33Å; F125-V164 HydrophobicContact CE1-CG2 4.38Å; F125-V164 HydrophobicContact CZ-CB 4.38Å; F125-V164 HydrophobicContact CZ-CG2 3.87Å; L157-V164 HydrophobicContact CD2-CG2 3.86Å; T161-V164 HydrophobicContact CG2-CG2 3.59Å; V164-T166 HydrophobicContact CG1-CG2 4.31Å; V164-M321 HydrophobicContact CG1-CG 3.87Å
165V97.6Very high92.1Very high1 Ų127.9 Ų27.91%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-93.9125.6172-174.70000108A39 V43 L96 I317 D319 V320 M321A39-V165 HydrophobicContact CB-CG1 3.82Å; V43-V165 HydrophobicContact CG2-CG2 3.77Å; L96-V165 HydrophobicContact CD1-CG2 3.72Å; V165-I317 HydrophobicContact CG2-CD1 4.06Å; V165-I317 HydrophobicContact CG2-CG2 4.14Å; V165-D319 PolarHBondContact N-O 2.8Å; V165-D319 VanDerWaalsContact N-O 3.13Å; V165-V320 HydrophobicContact CB-CB 4.35Å; V165-V320 HydrophobicContact CB-CG1 4.12Å; V165-V320 HydrophobicContact CB-CG2 4.03Å; V165-V320 HydrophobicContact CG1-CG1 4.24Å; V165-V320 HydrophobicContact CG2-CG2 4.28Å; V165-V320 CarbonylContact O-C 3.57Å; V165-V320 WeakPolarHBondContact O-CA 3.37Å; V165-M321 PolarHBondContact O-N 3Å
166T96.4Very high92.2Very high0 Ų029.1 Ų29.10%016%0.157CC..EExtended strand (participates in β ladder)trans-106129.6174.360.10000109.8N94 R95 F97 I136 W139 L151 V164N94-T166 WeakPolarHBondContact CA-O 3.39Å; R95-T166 PolarHBondContact N-O 3.36Å; R95-T166 PolarHBondContact N-OG1 3.35Å; R95-T166 PolarHBondContact O-N 3.47Å; R95-T166 PolarHBondContact O-OG1 3.32Å; F97-T166 HydrophobicContact CD2-CG2 3.83Å; F97-T166 HydrophobicContact CE2-CG2 3.66Å; I136-T166 HydrophobicContact CG2-CG2 3.97Å; W139-T166 VanDerWaalsContact CZ3-OG1 3.31Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.31Å; L151-T166 HydrophobicContact CD2-CG2 3.54Å; V164-T166 HydrophobicContact CG1-CG2 4.31Å
167A94.2Very high92.2Very high0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-125.687.6176.200000108.8N35 A39 N94 M321 H322 K323N35-A167 VanDerWaalsContact ND2-C 3.32Å; N35-A167 WeakPolarHBondContact ND2-CA 3.41Å; A39-A167 HydrophobicContact CB-CB 3.71Å; N94-A167 WeakPolarHBondContact OD1-CA 3.47Å; A167-M321 PolarHBondContact N-O 3.23Å; A167-H322 WeakPolarHBondContact O-CA 3.34Å; A167-H322 PolarHBondContact O-ND1 3.02Å; A167-K323 PolarHBondContact O-N 2.84Å
168T92.5Very high92.1Very high0 Ų032.8 Ų32.80%018%0.179CC..EExtended strand (participates in β ladder)trans-109.8136.3-175.757.70000111.6N35 A93 V140 I148 L151 K323N35-T168 PolarHBondContact ND2-N 2.86Å; A93-T168 WeakPolarHBondContact CB-OG1 3.35Å; A93-T168 PolarHBondContact N-O 3.04Å; A93-T168 PolarHBondContact O-N 3.37Å; A93-T168 PolarHBondContact O-OG1 3.11Å; V140-T168 HydrophobicContact CG1-CG2 3.79Å; V140-T168 HydrophobicContact CG2-CG2 4.12Å; I148-T168 HydrophobicContact CD1-CG2 4.41Å; L151-T168 HydrophobicContact CD1-CG2 3.72Å; L151-T168 HydrophobicContact CD2-CG2 3.78Å; L151-T168 HydrophobicContact CG-CG2 4.33Å; T168-K323 WeakPolarHBondContact CA-O 3.45Å
169T91.2Very high92Very high0 Ų029.4 Ų29.40%016%0.158CC..EExtended strand (participates in β ladder)trans-135.5137.2-173.5540000112.1N35 I91 L92 K323 A324 I325 F377N35-T169 HydrophobicContact CB-CG2 3.21Å; N35-T169 VanDerWaalsContact ND2-CG2 3.26Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.26Å; I91-T169 VanDerWaalsContact O-CA 3.25Å; I91-T169 WeakPolarHBondContact O-CA 3.27Å; L92-T169 HydrophobicContact CD2-CG2 3.45Å; L92-T169 VanDerWaalsContact CD2-CG2 3.45Å; T169-K323 PolarHBondContact N-O 3.4Å; T169-A324 WeakPolarHBondContact O-CA 3.44Å; T169-A324 WeakPolarHBondContact OG1-CA 3.31Å; T169-A324 VanDerWaalsContact OG1-CB 3.26Å; T169-A324 WeakPolarHBondContact OG1-CB 3.34Å; T169-I325 PolarHBondContact O-N 3.14Å; T169-F377 HydrophobicContact CG2-CE1 4.5Å; T169-F377 WeakPolarHBondContact OG1-CE1 3.44Å
170Y90.2Very high92.1Very high10 Ų1027.5 Ų27.54%0.03915%0.15CC..EExtended strand (participates in β ladder)trans-131131.3173.7166.4-103.9000109.2E89 I90 I91 Q147 K172 I325E89-Y170 HydrophobicContact CG-CE1 4.29Å; I90-Y170 WeakPolarHBondContact CA-O 3.26Å; I91-Y170 HydrophobicContact CD1-CD1 3.78Å; I91-Y170 HydrophobicContact CD1-CE1 4.49Å; I91-Y170 HydrophobicContact CG1-CD1 4.11Å; I91-Y170 PolarHBondContact N-O 2.99Å; I91-Y170 PolarHBondContact O-N 3.33Å; Q147-Y170 HydrophobicContact CB-CD2 3.97Å; Q147-Y170 HydrophobicContact CB-CE2 4.16Å; Q147-Y170 HydrophobicContact CG-CD2 3.85Å; Q147-Y170 HydrophobicContact CG-CE1 4.45Å; Q147-Y170 HydrophobicContact CG-CE2 3.61Å; Q147-Y170 HydrophobicContact CG-CG 4.36Å; Y170-K172 HydrophobicContact CE1-CB 3.94Å; Y170-K172 HydrophobicContact CE2-CB 4.39Å; Y170-K172 WeakPolarHBondContact OH-CB 3.45Å; Y170-K172 WeakPolarHBondContact OH-CD 3.24Å; Y170-I325 HydrophobicContact CD2-CB 4.04Å; Y170-I325 HydrophobicContact CD2-CG2 3.77Å; Y170-I325 HydrophobicContact CE2-CG2 4.12Å
171F90.3Very high92Very high1 Ų125.9 Ų25.90%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-124.8130.3174.6-177-82.6000110.3V88 I90 F225 F230 I325 F326 I368 F377V88-F171 HydrophobicContact CG1-CD2 4.32Å; V88-F171 HydrophobicContact CG1-CE2 3.5Å; V88-F171 VanDerWaalsContact CG1-CE2 3.5Å; V88-F171 HydrophobicContact CG1-CZ 3.75Å; V88-F171 HydrophobicContact CG2-CZ 4.49Å; I90-F171 HydrophobicContact CB-CD2 4.27Å; I90-F171 HydrophobicContact CD1-CD2 4.32Å; I90-F171 HydrophobicContact CG1-CD2 4.27Å; F171-F225 HydrophobicContact CE1-CD1 4.32Å; F171-F225 HydrophobicContact CE1-CD2 4.33Å; F171-F225 AromaticContact CE1-CE1 3.8Å; F171-F225 HydrophobicContact CE1-CE1 3.8Å; F171-F225 AromaticContact CE1-CE2 3.82Å; F171-F225 HydrophobicContact CE1-CE2 3.82Å; F171-F225 AromaticContact CE1-CZ 3.53Å; F171-F225 HydrophobicContact CE1-CZ 3.53Å; F171-F225 HydrophobicContact CZ-CD1 4.48Å; F171-F225 AromaticContact CZ-CD2 3.98Å; F171-F225 HydrophobicContact CZ-CD2 3.98Å; F171-F225 HydrophobicContact CZ-CE1 4.34Å; F171-F225 AromaticContact CZ-CE2 3.82Å; F171-F225 HydrophobicContact CZ-CE2 3.82Å; F171-F225 HydrophobicContact CZ-CG 4.31Å; F171-F225 HydrophobicContact CZ-CZ 4.01Å; F171-F230 HydrophobicContact CE2-CB 4.47Å; F171-F230 AromaticContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CE1 4.24Å; F171-F230 HydrophobicContact CE2-CG 4.15Å; F171-F230 HydrophobicContact CZ-CB 4.29Å; F171-F230 HydrophobicContact CZ-CD1 4.45Å; F171-F230 HydrophobicContact CZ-CG 4.44Å; F171-I325 PolarHBondContact N-O 2.77Å; F171-F326 AromaticContact CD1-CD2 3.86Å; F171-F326 HydrophobicContact CD1-CD2 3.86Å; F171-F326 AromaticContact CD1-CE2 3.86Å; F171-F326 HydrophobicContact CD1-CE2 3.86Å; F171-F326 HydrophobicContact CE1-CE2 4.17Å; F171-I368 HydrophobicContact CB-CD1 4.13Å; F171-I368 HydrophobicContact CD1-CD1 3.46Å; F171-I368 VanDerWaalsContact CD1-CD1 3.46Å; F171-I368 HydrophobicContact CD2-CD1 4.16Å; F171-I368 HydrophobicContact CD2-CG2 4.34Å; F171-I368 HydrophobicContact CE1-CD1 3.81Å; F171-I368 HydrophobicContact CE1-CG2 4.48Å; F171-I368 HydrophobicContact CE2-CD1 4.45Å; F171-I368 HydrophobicContact CE2-CG2 3.88Å; F171-I368 HydrophobicContact CG-CD1 3.64Å; F171-I368 HydrophobicContact CZ-CD1 4.29Å; F171-I368 HydrophobicContact CZ-CG2 3.95Å; F171-F377 HydrophobicContact CB-CD2 4.34Å; F171-F377 HydrophobicContact CB-CE1 4.35Å; F171-F377 HydrophobicContact CB-CE2 3.68Å; F171-F377 HydrophobicContact CB-CZ 3.69Å; F171-F377 AromaticContact CD2-CE2 3.94Å; F171-F377 HydrophobicContact CD2-CE2 3.94Å; F171-F377 HydrophobicContact CG-CE2 4.13Å
172K88.2Confident92Very high100 Ų10033.1 Ų33.144%0.43518%0.177SC..EExtended strand (participates in β ladder)trans-136.6117.3169.2-179.5166.4-178.6169.10109.7E89 Y170E89-K172 PolarHBondContact N-O 2.98Å; E89-K172 PolarHBondContact O-N 3.29Å; Y170-K172 HydrophobicContact CE1-CB 3.94Å; Y170-K172 HydrophobicContact CE2-CB 4.39Å; Y170-K172 WeakPolarHBondContact OH-CB 3.45Å; Y170-K172 WeakPolarHBondContact OH-CD 3.24Å
173G88.7Confident91.9Very high11 Ų1135.8 Ų35.811%0.11319%0.19CC..EExtended strand (participates in β ladder)trans-123.4137-178.600000111.9G87G87-G173 CarbonylContact O-C 3.36Å
174M90.6Very high91.8Very high41 Ų4136.2 Ų36.220%0.20219%0.193CC..  trans-76134165.7-58.4-17758.700109G87 F225 K226 G332G87-M174 WeakPolarHBondContact CA-SD 3.23Å; G87-M174 WeakPolarHBondContact O-CB 3.4Å; G87-M174 WeakPolarHBondContact O-CG 3.47Å; G87-M174 PolarHBondContact O-N 3.46Å; M174-F225 CarbonylContact O-C 3.45Å; M174-F225 VanDerWaalsContact O-CA 3.26Å; M174-F225 WeakPolarHBondContact O-CA 3.29Å; M174-F225 WeakPolarHBondContact O-CB 2.97Å; M174-F225 WeakPolarHBondContact O-CD1 3.34Å; M174-K226 HydrophobicContact CB-CB 3.94Å; M174-K226 HydrophobicContact CB-CD 4.25Å; M174-K226 HydrophobicContact CE-CD 3.82Å; M174-K226 PolarHBondContact O-N 3.3Å; M174-K226 HydrophobicContact SD-CD 3.73Å; M174-G332 WeakPolarHBondContact CE-O 3.3Å; M174-G332 WeakPolarHBondContact CG-O 3.29Å
175W92.6Very high91.7Very high10 Ų1039.4 Ų39.44%0.03821%0.208CC..BIsolated β-bridgetrans-61.4143.6168.9-52.9115.9000111.1L177 F179 I223 F225 L232 V328 D329W175-L177 VanDerWaalsContact C-N 3.29Å; W175-L177 WeakPolarHBondContact CB-O 3.41Å; W175-F179 AromaticContact CD1-CD2 3.76Å; W175-F179 AromaticContact CD1-CE2 3.94Å; W175-F179 HydrophobicContact CD2-CE2 4.14Å; W175-F179 HydrophobicContact CG-CD2 4.31Å; W175-F179 HydrophobicContact CG-CE2 4.14Å; W175-F179 AromaticContact NE1-CD2 3.85Å; W175-F179 AromaticContact NE1-CE2 3.84Å; W175-I223 HydrophobicContact CE3-CG2 3.63Å; W175-I223 HydrophobicContact CZ3-CB 4.38Å; W175-I223 HydrophobicContact CZ3-CG2 3.81Å; W175-F225 HydrophobicContact CD2-CE1 4.37Å; W175-F225 AromaticContact CE3-CD1 3.83Å; W175-F225 HydrophobicContact CE3-CD1 3.83Å; W175-F225 AromaticContact CE3-CE1 3.67Å; W175-F225 HydrophobicContact CE3-CE1 3.67Å; W175-F225 HydrophobicContact CE3-CZ 4.3Å; W175-F225 HydrophobicContact CH2-CD1 4.48Å; W175-F225 AromaticContact CH2-CE1 3.52Å; W175-F225 HydrophobicContact CH2-CE1 3.52Å; W175-F225 AromaticContact CH2-CZ 3.71Å; W175-F225 HydrophobicContact CH2-CZ 3.71Å; W175-F225 HydrophobicContact CZ2-CE1 4.24Å; W175-F225 AromaticContact CZ3-CD1 3.82Å; W175-F225 HydrophobicContact CZ3-CD1 3.82Å; W175-F225 AromaticContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE2 4.21Å; W175-F225 AromaticContact CZ3-CZ 3.44Å; W175-F225 HydrophobicContact CZ3-CZ 3.44Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.44Å; W175-L232 HydrophobicContact CH2-CB 4.39Å; W175-L232 HydrophobicContact CH2-CD2 3.66Å; W175-L232 HydrophobicContact CZ3-CB 4.04Å; W175-L232 HydrophobicContact CZ3-CD2 4.05Å; W175-V328 HydrophobicContact CZ2-CG1 4.02Å; W175-V328 HydrophobicContact CZ2-CG2 4.35Å; W175-D329 PolarHBondContact NE1-O 3.27Å
176N91.7Very high91.6Very high88 Ų8843.9 Ų43.947%0.47124%0.236SC..SBendtrans-66.2-39.4166.9-173.253.3000110.5P224N176-P224 HydrophobicContact CB-CB 4.16Å; N176-P224 HydrophobicContact CB-CG 4.09Å; N176-P224 WeakPolarHBondContact CB-O 3.22Å; N176-P224 PolarHBondContact N-O 2.83Å
177L90.7Very high91.6Very high53 Ų5345.2 Ų45.228%0.27725%0.245SC..SBendtrans-118.597.4174.7-62.5171.9000108.5W175 N204 S206 F208W175-L177 VanDerWaalsContact C-N 3.29Å; W175-L177 WeakPolarHBondContact CB-O 3.41Å; L177-N204 PolarHBondContact O-ND2 3.25Å; L177-S206 WeakPolarHBondContact CD1-OG 3.26Å; L177-F208 HydrophobicContact CD1-CE1 4.31Å; L177-F208 HydrophobicContact CD1-CZ 4.37Å
178S89.7Confident91.7Very high53 Ų5349.4 Ų49.437%0.37126%0.264SS..PPolyproline II helixtrans-66.3155.1-177.655.50000112.9P180 N204S178-P180 WeakPolarHBondContact O-CD 3.43Å; S178-N204 PolarHBondContact O-ND2 2.78Å
179F90.7Very high91.9Very high4 Ų449.4 Ų49.42%0.01826%0.264CS..PPolyproline II helixtrans-85.5119171.2-60.3-92.3000109W175 E181 M202 N204 L271 L273W175-F179 AromaticContact CD1-CD2 3.76Å; W175-F179 AromaticContact CD1-CE2 3.94Å; W175-F179 HydrophobicContact CD2-CE2 4.14Å; W175-F179 HydrophobicContact CG-CD2 4.31Å; W175-F179 HydrophobicContact CG-CE2 4.14Å; W175-F179 AromaticContact NE1-CD2 3.85Å; W175-F179 AromaticContact NE1-CE2 3.84Å; F179-E181 PolarHBondContact O-N 3.01Å; F179-M202 HydrophobicContact CB-CB 3.87Å; F179-M202 HydrophobicContact CD1-CB 3.72Å; F179-M202 HydrophobicContact CD2-CB 4.46Å; F179-M202 HydrophobicContact CD2-CE 3.97Å; F179-M202 HydrophobicContact CD2-SD 4.35Å; F179-M202 HydrophobicContact CE1-CB 4.4Å; F179-M202 HydrophobicContact CE2-CE 4.06Å; F179-M202 HydrophobicContact CG-CB 3.76Å; F179-M202 HydrophobicContact CG-CE 4.37Å; F179-M202 HydrophobicContact CG-SD 4.45Å; F179-N204 HydrophobicContact CD1-CB 3.63Å; F179-N204 HydrophobicContact CE1-CB 3.89Å; F179-N204 HydrophobicContact CG-CB 4.38Å; F179-L271 HydrophobicContact CE1-CD2 3.99Å; F179-L271 HydrophobicContact CE1-CG 4.17Å; F179-L271 HydrophobicContact CZ-CD2 3.83Å; F179-L271 HydrophobicContact CZ-CG 4.42Å; F179-L273 HydrophobicContact CE1-CB 4.32Å; F179-L273 HydrophobicContact CE2-CD2 4.41Å; F179-L273 HydrophobicContact CZ-CB 4.17Å; F179-L273 HydrophobicContact CZ-CD2 4.15Å
180P90.2Very high92.2Very high52 Ų5252.2 Ų52.234%0.33828%0.275SS..PPolyproline II helixtrans-58.7129.3173.5-2435.3000110.5S178 D182 N183 S184S178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-D182 PolarHBondContact O-N 3.32Å; P180-N183 HydrophobicContact CB-CB 4.25Å; P180-N183 WeakPolarHBondContact O-CB 3.33Å; P180-N183 PolarHBondContact O-N 3.36Å; P180-S184 PolarHBondContact O-OG 3.1Å
181E88.7Confident92.4Very high99 Ų9953.5 Ų53.546%0.46328%0.282SS..G310 helixtrans-59-36.7-179.2-72.8-179.3-157.400111.7F179 N183 S184 E330 K331F179-E181 PolarHBondContact O-N 3.01Å; E181-N183 PolarHBondContact O-N 3.28Å; E181-S184 VanDerWaalsContact O-CB 3.29Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.46Å; E181-E330 HydrophobicContact CG-CB 3.79Å; E181-E330 HydrophobicContact CG-CG 4.14Å; E181-K331 WeakPolarHBondContact OE1-CE 3.42Å; E181-K331 WeakPolarHBondContact OE1-CG 3.24Å; E181-K331 IonicContact OE1-NZ 3.54Å
182D90.5Very high92.5Very high160 Ų16055.8 Ų55.886%0.85629%0.294SS*.G310 helixtrans-64.4-25.4177.8-60.1-30.5000113.4P180 S184P180-D182 PolarHBondContact O-N 3.32Å; D182-S184 VanDerWaalsContact C-N 3.29Å
183N92Very high92.6Very high65 Ų6556.9 Ų56.935%0.34830%0.304SS..G310 helixtrans-82.2-13.3176.4-70.8-7000112.3P180 E181 H185 H203P180-N183 HydrophobicContact CB-CB 4.25Å; P180-N183 WeakPolarHBondContact O-CB 3.33Å; P180-N183 PolarHBondContact O-N 3.36Å; E181-N183 PolarHBondContact O-N 3.28Å; N183-H185 PolarHBondContact O-ND1 3.03Å; N183-H203 HydrophobicContact CB-CB 4.08Å; N183-H203 WeakPolarHBondContact CB-O 3.48Å
184S93.3Very high92.8Very high9 Ų959 Ų596%0.06333%0.326CS..  trans-81.5126-175.9-55.70000109.9P180 E181 D182 K200 L201 E330P180-S184 PolarHBondContact O-OG 3.1Å; E181-S184 VanDerWaalsContact O-CB 3.29Å; E181-S184 WeakPolarHBondContact O-CB 3.47Å; E181-S184 PolarHBondContact O-N 3.46Å; D182-S184 VanDerWaalsContact C-N 3.29Å; S184-K200 VanDerWaalsContact C-CE 3.44Å; S184-K200 VanDerWaalsContact O-CE 3.24Å; S184-K200 WeakPolarHBondContact O-CE 3.09Å; S184-K200 PolarHBondContact O-NZ 3.47Å; S184-L201 VanDerWaalsContact CA-O 3.31Å; S184-L201 WeakPolarHBondContact CA-O 3.23Å; S184-E330 WeakPolarHBondContact OG-CG 3.37Å
185H95Very high92.9Very high71 Ų7159.2 Ų59.233%0.32933%0.332SS..EExtended strand (participates in β ladder)trans-137.6161-173.257.8-77.8000110.8N183 L201 Y272N183-H185 PolarHBondContact O-ND1 3.03Å; H185-L201 PolarHBondContact N-O 3.48Å; H185-L201 PolarHBondContact O-N 3.39Å; H185-Y272 AromaticContact CE1-CD1 3.97Å; H185-Y272 AromaticContact CE1-CE1 3.86Å
186T96.4Very high93Very high95 Ų9563.9 Ų63.958%0.58335%0.352SS*.EExtended strand (participates in β ladder)trans-73.6133.1174.9-57.90000109.7S198 V199T186-S198 WeakPolarHBondContact CG2-OG 3.45Å; T186-V199 CarbonylContact C-O 3.56Å; T186-V199 WeakPolarHBondContact CA-O 2.99Å
187S95.9Very high93.1Very high28 Ų2861.7 Ų61.720%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-144.9164.3180-157.40000111.6V199S187-V199 PolarHBondContact N-O 3.26Å; S187-V199 PolarHBondContact O-N 2.94Å
188E96.5Very high93.4Very high87 Ų8763.1 Ų63.141%0.40735%0.354SS..EExtended strand (participates in β ladder)trans-78.8135.8176.8-60.1-175.813600110.8Y190 K196 L197E188-Y190 HydrophobicContact CB-CE2 4.44Å; E188-Y190 PolarHBondContact OE2-OH 3.2Å; E188-Y190 VanDerWaalsContact OE2-OH 3.07Å; E188-K196 HydrophobicContact CB-CD 4.47Å; E188-K196 VanDerWaalsContact CD-CD 3.47Å; E188-K196 HydrophobicContact CG-CD 4.31Å; E188-K196 WeakPolarHBondContact OE1-CD 3.18Å; E188-K196 IonicContact OE1-NZ 3.93Å; E188-K196 PolarHBondContact OE1-NZ 3Å; E188-K196 IonicContact OE2-NZ 2.88Å; E188-K196 PolarHBondContact OE2-NZ 3.45Å; E188-L197 CarbonylContact C-O 3.54Å; E188-L197 WeakPolarHBondContact CA-O 3.5Å
189F97.3Very high93.6Very high0 Ų060.8 Ų60.80%034%0.338CS..EExtended strand (participates in β ladder)trans-114.6127.2165.9-172.5-82.8000109.2K196 L197 V199 P274 N361 P363 F364 T382 P384F189-K196 CarbonylContact O-C 3.59Å; F189-K196 WeakPolarHBondContact O-CA 3.42Å; F189-L197 HydrophobicContact CB-CB 4.46Å; F189-L197 PolarHBondContact N-O 3.26Å; F189-L197 PolarHBondContact O-N 3.21Å; F189-V199 HydrophobicContact CB-CB 4.41Å; F189-V199 HydrophobicContact CB-CG1 3.64Å; F189-V199 HydrophobicContact CB-CG2 3.83Å; F189-V199 HydrophobicContact CG-CG1 4.42Å; F189-P274 HydrophobicContact CE2-CG 4.49Å; F189-N361 CarbonylContact C-O 3.53Å; F189-N361 VanDerWaalsContact CA-O 3.28Å; F189-N361 WeakPolarHBondContact CA-O 3.38Å; F189-N361 VanDerWaalsContact CD2-C 3.42Å; F189-P363 HydrophobicContact CE1-CG 4.36Å; F189-F364 HydrophobicContact CE2-CD1 4.22Å; F189-F364 AromaticContact CE2-CE1 3.97Å; F189-F364 HydrophobicContact CE2-CE1 3.97Å; F189-F364 HydrophobicContact CZ-CD1 4.31Å; F189-F364 HydrophobicContact CZ-CE1 4.25Å; F189-T382 WeakPolarHBondContact CE1-O 3.43Å; F189-P384 HydrophobicContact CD1-CG 4.29Å; F189-P384 HydrophobicContact CD2-CG 4Å; F189-P384 HydrophobicContact CE2-CG 4.26Å; F189-P384 HydrophobicContact CG-CG 4.01Å
190Y96.7Very high93.8Very high59 Ų5964.8 Ų64.823%0.23136%0.356CS..EExtended strand (participates in β ladder)trans-92.5116.9-177.4-62.3-95.4000110E188 K196 N240 N361 H362 P363E188-Y190 HydrophobicContact CB-CE2 4.44Å; E188-Y190 PolarHBondContact OE2-OH 3.2Å; E188-Y190 VanDerWaalsContact OE2-OH 3.07Å; Y190-K196 HydrophobicContact CD1-CD 4.47Å; Y190-K196 HydrophobicContact CD1-CG 4.15Å; Y190-K196 HydrophobicContact CE1-CD 4.05Å; Y190-K196 HydrophobicContact CE1-CG 4.23Å; Y190-N240 WeakPolarHBondContact CB-ND2 3.19Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.17Å; Y190-N361 WeakPolarHBondContact CD2-O 3.45Å; Y190-N361 PolarHBondContact N-O 3.44Å; Y190-H362 WeakPolarHBondContact O-CA 3.34Å; Y190-H362 WeakPolarHBondContact O-CB 3.25Å; Y190-P363 WeakPolarHBondContact O-CD 3.46Å
191E94.1Very high94Very high37 Ų3762.4 Ų62.417%0.17334%0.34CS..  trans-78.2167.5177.3-65.3-176.8102.200112.2N193 G194 S195 L197E191-N193 VanDerWaalsContact CB-OD1 3.3Å; E191-N193 WeakPolarHBondContact CB-OD1 3.49Å; E191-N193 PolarHBondContact O-N 3.27Å; E191-G194 PolarHBondContact O-N 2.9Å; E191-S195 PolarHBondContact N-O 3.46Å; E191-S195 PolarHBondContact OE2-OG 3.24Å; E191-L197 HydrophobicContact CG-CD1 3.73Å; E191-L197 HydrophobicContact CG-CG 3.94Å; E191-L197 WeakPolarHBondContact OE1-CD1 3.46Å; E191-L197 WeakPolarHBondContact OE2-CG 3.04Å
192L92.4Very high94.3Very high49 Ų4957.7 Ų57.726%0.25732%0.318SS..THydrogen-bonded Turntrans-60.5-31.3-178.2-71175.8000113.9W26 G194 L243 P244 P363 T382W26-L192 HydrophobicContact CB-CD1 3.54Å; W26-L192 HydrophobicContact CG-CD1 3.93Å; L192-G194 VanDerWaalsContact C-N 3.25Å; L192-L243 HydrophobicContact CD2-CB 4.21Å; L192-P244 HydrophobicContact CD2-CG 4.49Å; L192-P363 HydrophobicContact CD2-CB 3.87Å; L192-P363 HydrophobicContact CD2-CG 3.65Å; L192-P363 HydrophobicContact CG-CB 4.23Å; L192-P363 HydrophobicContact CG-CG 3.69Å; L192-T382 HydrophobicContact CD1-CG2 3.85Å
193N91.2Very high94.5Very high124 Ų12451.5 Ų51.566%0.66328%0.284SS*.THydrogen-bonded Turntrans-81.5-1.7176.963.20.6000112.9E191 S195E191-N193 VanDerWaalsContact CB-OD1 3.3Å; E191-N193 WeakPolarHBondContact CB-OD1 3.49Å; E191-N193 PolarHBondContact O-N 3.27Å; N193-S195 VanDerWaalsContact CG-OG 3.27Å; N193-S195 PolarHBondContact ND2-OG 3.37Å; N193-S195 PolarHBondContact OD1-N 3.14Å; N193-S195 PolarHBondContact OD1-OG 3.41Å
194G91.4Very high94.6Very high54 Ų5449.4 Ų49.456%0.55727%0.272SS*.SBendtrans85.6-2.8-17700000115.6E191 L192E191-G194 PolarHBondContact O-N 2.9Å; L192-G194 VanDerWaalsContact C-N 3.25Å
195S94.1Very high94.6Very high47 Ų4753 Ų5333%0.32929%0.288SS..  trans-66.7160.1170510000111.2E191 N193E191-S195 PolarHBondContact N-O 3.46Å; E191-S195 PolarHBondContact OE2-OG 3.24Å; N193-S195 VanDerWaalsContact CG-OG 3.27Å; N193-S195 PolarHBondContact ND2-OG 3.37Å; N193-S195 PolarHBondContact OD1-N 3.14Å; N193-S195 PolarHBondContact OD1-OG 3.41Å
196K94.7Very high94.6Very high108 Ų10850.9 Ų50.947%0.4728%0.282SS..EExtended strand (participates in β ladder)trans-115.8135.1-179.3-55.7-168.1-171.7-169.10110.4E188 F189 Y190E188-K196 HydrophobicContact CB-CD 4.47Å; E188-K196 VanDerWaalsContact CD-CD 3.47Å; E188-K196 HydrophobicContact CG-CD 4.31Å; E188-K196 WeakPolarHBondContact OE1-CD 3.18Å; E188-K196 IonicContact OE1-NZ 3.93Å; E188-K196 PolarHBondContact OE1-NZ 3Å; E188-K196 IonicContact OE2-NZ 2.88Å; E188-K196 PolarHBondContact OE2-NZ 3.45Å; F189-K196 CarbonylContact O-C 3.59Å; F189-K196 WeakPolarHBondContact O-CA 3.42Å; Y190-K196 HydrophobicContact CD1-CD 4.47Å; Y190-K196 HydrophobicContact CD1-CG 4.15Å; Y190-K196 HydrophobicContact CE1-CD 4.05Å; Y190-K196 HydrophobicContact CE1-CG 4.23Å
197L94.1Very high94.5Very high41 Ų4152 Ų5222%0.21528%0.276CS..EExtended strand (participates in β ladder)trans-112.5145.4172.7-65.4176.7000110.3E188 F189 E191 V199 S383 L385E188-L197 CarbonylContact C-O 3.54Å; E188-L197 WeakPolarHBondContact CA-O 3.5Å; F189-L197 HydrophobicContact CB-CB 4.46Å; F189-L197 PolarHBondContact N-O 3.26Å; F189-L197 PolarHBondContact O-N 3.21Å; E191-L197 HydrophobicContact CG-CD1 3.73Å; E191-L197 HydrophobicContact CG-CG 3.94Å; E191-L197 WeakPolarHBondContact OE1-CD1 3.46Å; E191-L197 WeakPolarHBondContact OE2-CG 3.04Å; L197-V199 HydrophobicContact CB-CG1 4.16Å; L197-S383 WeakPolarHBondContact CD1-OG 3.43Å; L197-L385 HydrophobicContact CB-CD1 4.25Å
198S95.6Very high94.6Very high83 Ų8350.8 Ų50.858%0.5827%0.267SS*.EExtended strand (participates in β ladder)trans-91.9113175.1-171.20000109.2T186T186-S198 WeakPolarHBondContact CG2-OG 3.45Å
199V95.1Very high94.5Very high5 Ų549.7 Ų49.73%0.0326%0.264CS..EExtended strand (participates in β ladder)trans-124.8152.6-171.8-51.90000111T186 S187 F189 L197 L201 P274 P384 L385T186-V199 CarbonylContact C-O 3.56Å; T186-V199 WeakPolarHBondContact CA-O 2.99Å; S187-V199 PolarHBondContact N-O 3.26Å; S187-V199 PolarHBondContact O-N 2.94Å; F189-V199 HydrophobicContact CB-CB 4.41Å; F189-V199 HydrophobicContact CB-CG1 3.64Å; F189-V199 HydrophobicContact CB-CG2 3.83Å; F189-V199 HydrophobicContact CG-CG1 4.42Å; L197-V199 HydrophobicContact CB-CG1 4.16Å; V199-L201 PolarHBondContact O-N 3.07Å; V199-P274 HydrophobicContact CG2-CB 4.38Å; V199-P384 HydrophobicContact CB-CG 4.25Å; V199-P384 HydrophobicContact CG1-CG 3.51Å; V199-L385 HydrophobicContact CG1-CD1 4.3Å; V199-L385 HydrophobicContact CG1-CG 4.16Å
200K94.6Very high94.5Very high88 Ų8851 Ų5138%0.38327%0.271SS..EExtended strand (participates in β ladder)trans-77.3114.6170.2-169.778.7-176.5-176.30108.7S184 K275S184-K200 VanDerWaalsContact C-CE 3.44Å; S184-K200 VanDerWaalsContact O-CE 3.24Å; S184-K200 WeakPolarHBondContact O-CE 3.09Å; S184-K200 PolarHBondContact O-NZ 3.47Å; K200-K275 HydrophobicContact CB-CB 4.3Å; K200-K275 PolarHBondContact O-N 3.49Å
201L94.8Very high94.5Very high2 Ų248.4 Ų48.41%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-104.3114.9-179-167.368.8000109.4S184 H185 V199 Y272 P274 R359S184-L201 VanDerWaalsContact CA-O 3.31Å; S184-L201 WeakPolarHBondContact CA-O 3.23Å; H185-L201 PolarHBondContact N-O 3.48Å; H185-L201 PolarHBondContact O-N 3.39Å; V199-L201 PolarHBondContact O-N 3.07Å; L201-Y272 HydrophobicContact CD2-CD1 3.94Å; L201-Y272 HydrophobicContact CD2-CG 4.15Å; L201-Y272 HydrophobicContact CG-CD1 4.32Å; L201-P274 HydrophobicContact CD1-CB 4.45Å; L201-R359 HydrophobicContact CD2-CG 4.39Å
202M95.1Very high94.6Very high0 Ų050.8 Ų50.80%028%0.282CS..EExtended strand (participates in β ladder)trans-81.3145.7177.6-48.7-176.7-60.900109.7F179 Y272 L273 K275 V328 E330F179-M202 HydrophobicContact CB-CB 3.87Å; F179-M202 HydrophobicContact CD1-CB 3.72Å; F179-M202 HydrophobicContact CD2-CB 4.46Å; F179-M202 HydrophobicContact CD2-CE 3.97Å; F179-M202 HydrophobicContact CD2-SD 4.35Å; F179-M202 HydrophobicContact CE1-CB 4.4Å; F179-M202 HydrophobicContact CE2-CE 4.06Å; F179-M202 HydrophobicContact CG-CB 3.76Å; F179-M202 HydrophobicContact CG-CE 4.37Å; F179-M202 HydrophobicContact CG-SD 4.45Å; M202-Y272 VanDerWaalsContact O-CA 3.25Å; M202-Y272 WeakPolarHBondContact O-CA 3.46Å; M202-L273 WeakPolarHBondContact CB-O 3.31Å; M202-L273 HydrophobicContact CE-CB 4.21Å; M202-L273 HydrophobicContact CE-CD2 3.97Å; M202-L273 HydrophobicContact CE-CG 4.24Å; M202-L273 PolarHBondContact N-O 3.48Å; M202-L273 PolarHBondContact O-N 2.69Å; M202-K275 HydrophobicContact CG-CB 4.4Å; M202-K275 HydrophobicContact SD-CB 4.37Å; M202-V328 HydrophobicContact CE-CG1 3.48Å; M202-V328 VanDerWaalsContact CE-CG1 3.48Å; M202-E330 HydrophobicContact CG-CG 3.88Å; M202-E330 HydrophobicContact SD-CB 4.25Å; M202-E330 HydrophobicContact SD-CG 3.72Å; M202-E330 PolarHBondContact SD-N 2.8Å
203H94.9Very high94.8Very high30 Ų3048.5 Ų48.514%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-134.6131.6-176.1169.1-134.2000112.6N183 L271 Y272N183-H203 HydrophobicContact CB-CB 4.08Å; N183-H203 WeakPolarHBondContact CB-O 3.48Å; H203-L271 WeakPolarHBondContact CA-O 3.46Å; H203-Y272 HydrophobicContact CB-CD1 3.72Å; H203-Y272 HydrophobicContact CB-CE1 3.72Å; H203-Y272 AromaticContact CD2-CD1 3.94Å; H203-Y272 AromaticContact CD2-CE1 3.48Å; H203-Y272 VanDerWaalsContact CD2-CE1 3.48Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.21Å; H203-Y272 AromaticContact CD2-CZ 3.62Å; H203-Y272 AromaticContact CG-CD1 3.93Å; H203-Y272 AromaticContact CG-CE1 3.47Å; H203-Y272 VanDerWaalsContact CG-CE1 3.47Å; H203-Y272 AromaticContact NE2-CZ 3.89Å
204N93.4Very high94.9Very high20 Ų2047.1 Ų47.111%0.10727%0.268CS..EExtended strand (participates in β ladder)trans-141.7134.8171.3-169.7-4.4000110.1L177 S178 F179 L271L177-N204 PolarHBondContact O-ND2 3.25Å; S178-N204 PolarHBondContact O-ND2 2.78Å; F179-N204 HydrophobicContact CD1-CB 3.63Å; F179-N204 HydrophobicContact CE1-CB 3.89Å; F179-N204 HydrophobicContact CG-CB 4.38Å; N204-L271 PolarHBondContact N-O 2.91Å; N204-L271 PolarHBondContact O-N 2.97Å
205E94.3Very high95Very high84 Ų8448.7 Ų48.739%0.39326%0.261SS..EExtended strand (participates in β ladder)trans-107109.8173.9-174.1170.3158.200108.5L269 K270E205-L269 WeakPolarHBondContact CA-O 3.43Å; E205-K270 HydrophobicContact CB-CG 4.32Å; E205-K270 HydrophobicContact CG-CG 3.92Å; E205-K270 WeakPolarHBondContact OE2-CE 3.49Å
206S94.5Very high95Very high28 Ų2846.7 Ų46.720%0.19625%0.246CC..EExtended strand (participates in β ladder)trans-161.4-174.9-177.7-153.50000112L177 F208 L269L177-S206 WeakPolarHBondContact CD1-OG 3.26Å; S206-F208 WeakPolarHBondContact O-CD2 3.22Å; S206-L269 PolarHBondContact N-O 2.92Å; S206-L269 VanDerWaalsContact N-O 3.14Å; S206-L269 PolarHBondContact O-N 3.45Å
207Y95Very high95.1Very high117 Ų11748.3 Ų48.346%0.45925%0.253SS..EExtended strand (participates in β ladder)trans-86.3118.4175.4-67.6-88.9000110.5T266 T267 E268Y207-T266 HydrophobicContact CD1-CG2 4.1Å; Y207-T266 HydrophobicContact CG-CG2 4.42Å; Y207-T267 WeakPolarHBondContact CA-O 3.26Å; Y207-E268 HydrophobicContact CD1-CB 4.13Å; Y207-E268 HydrophobicContact CE1-CB 3.78Å
208F95.9Very high95.2Very high3 Ų346.4 Ų46.41%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-125.7154.5175.5-63.6-82.6000110.6L177 S206 M210 V221 I223 T267 L269 L271L177-F208 HydrophobicContact CD1-CE1 4.31Å; L177-F208 HydrophobicContact CD1-CZ 4.37Å; S206-F208 WeakPolarHBondContact O-CD2 3.22Å; F208-M210 PolarHBondContact O-N 2.76Å; F208-V221 HydrophobicContact CB-CG2 3.77Å; F208-V221 HydrophobicContact CG-CG2 4.4Å; F208-I223 HydrophobicContact CE1-CG2 4.25Å; F208-T267 PolarHBondContact N-O 3.15Å; F208-T267 PolarHBondContact O-N 3.42Å; F208-L269 HydrophobicContact CB-CD2 4.22Å; F208-L269 HydrophobicContact CD2-CB 4.2Å; F208-L269 HydrophobicContact CD2-CD2 4.33Å; F208-L271 HydrophobicContact CD1-CD2 4.41Å; F208-L271 HydrophobicContact CD2-CB 4.36Å; F208-L271 HydrophobicContact CD2-CD2 4.45Å; F208-L271 HydrophobicContact CE1-CD2 4.02Å; F208-L271 HydrophobicContact CE2-CB 3.99Å; F208-L271 HydrophobicContact CE2-CD2 4.05Å; F208-L271 HydrophobicContact CZ-CD2 3.83Å
209N96.4Very high95.3Very high65 Ų6546 Ų4635%0.34823%0.229SC..EExtended strand (participates in β ladder)trans-81.7114.1174.1-78.1-8.4000108.4V221 K222 F264 T266N209-V221 WeakPolarHBondContact O-CA 3.32Å; N209-K222 HydrophobicContact CB-CB 3.99Å; N209-K222 PolarHBondContact O-N 3.44Å; N209-F264 HydrophobicContact CB-CB 4.13Å; N209-F264 HydrophobicContact CB-CD1 4.4Å; N209-T266 PolarHBondContact OD1-OG1 3.49Å
210M96.8Very high95.5Very high28 Ų2845.7 Ų45.714%0.13823%0.228CC..EExtended strand (participates in β ladder)trans-120.6144.9-176.9-175.6-176.9169.900111F208 R219 A220 F264 Q265 L269 F358F208-M210 PolarHBondContact O-N 2.76Å; M210-R219 HydrophobicContact CE-CB 4.07Å; M210-R219 HydrophobicContact CE-CG 4.19Å; M210-A220 CarbonylContact C-O 3.58Å; M210-A220 VanDerWaalsContact CA-O 3.3Å; M210-A220 WeakPolarHBondContact CA-O 3.34Å; M210-A220 WeakPolarHBondContact CG-O 3.28Å; M210-F264 WeakPolarHBondContact O-CA 3.43Å; M210-Q265 PolarHBondContact N-O 2.96Å; M210-Q265 PolarHBondContact O-N 2.68Å; M210-L269 HydrophobicContact SD-CD1 3.92Å; M210-F358 HydrophobicContact CE-CD2 4.15Å; M210-F358 HydrophobicContact SD-CD2 4.49Å
211A96.8Very high95.6Very high4 Ų441.5 Ų41.53%0.03321%0.209CC..EExtended strand (participates in β ladder)trans-129.8140.817200000110.6L213 A220 F264A211-L213 HydrophobicContact CB-CD2 4.38Å; A211-A220 PolarHBondContact N-O 2.69Å; A211-A220 PolarHBondContact O-N 2.92Å; A211-F264 HydrophobicContact CB-CD1 3.73Å; A211-F264 HydrophobicContact CB-CD2 4.21Å; A211-F264 HydrophobicContact CB-CE1 3.72Å; A211-F264 HydrophobicContact CB-CE2 4.2Å; A211-F264 HydrophobicContact CB-CG 3.98Å; A211-F264 HydrophobicContact CB-CZ 3.95Å
212S96.2Very high95.7Very high87 Ų8742.3 Ų42.361%0.60821%0.213SC*.EExtended strand (participates in β ladder)trans-90.8130.6166.5-174.10000109.1P214S212-P214 VanDerWaalsContact O-CD 3.27Å; S212-P214 WeakPolarHBondContact O-CD 3.48Å
213L95.5Very high95.7Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-120.468.9-176.2-55.5172.6000109.5A211 H215 L216 K217 S218 A220 I235 I259A211-L213 HydrophobicContact CB-CD2 4.38Å; L213-H215 PolarHBondContact O-N 3.1Å; L213-L216 HydrophobicContact CB-CB 4.2Å; L213-L216 HydrophobicContact CB-CD1 4.43Å; L213-L216 HydrophobicContact CB-CG 4.47Å; L213-L216 HydrophobicContact CD1-CD1 4.21Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.21Å; L213-L216 PolarHBondContact O-N 3.28Å; L213-K217 PolarHBondContact O-N 3.32Å; L213-K217 VanDerWaalsContact O-N 3.08Å; L213-S218 CarbonylContact C-O 3.56Å; L213-S218 VanDerWaalsContact CA-O 3.3Å; L213-S218 WeakPolarHBondContact CA-O 3.44Å; L213-S218 WeakPolarHBondContact CB-O 3.13Å; L213-S218 PolarHBondContact N-O 3.39Å; L213-S218 PolarHBondContact O-N 2.89Å; L213-A220 HydrophobicContact CD1-CB 3.73Å; L213-A220 HydrophobicContact CG-CB 4.47Å; L213-I235 HydrophobicContact CD1-CG2 4.14Å; L213-I259 HydrophobicContact CD1-CG1 4.38Å; L213-I259 HydrophobicContact CD1-CG2 3.97Å
214P94Very high95.7Very high96 Ų9642.7 Ų42.762%0.62322%0.218SC*.G310 helixtrans-61.6-30.6-174.723.9-34.3000113.1S212 L216 K217S212-P214 VanDerWaalsContact O-CD 3.27Å; S212-P214 WeakPolarHBondContact O-CD 3.48Å; P214-L216 PolarHBondContact O-N 3.46Å; P214-K217 PolarHBondContact O-N 3.38Å; P214-K217 VanDerWaalsContact O-N 3.14Å
215H92.6Very high95.7Very high86 Ų8641.9 Ų41.940%0.39821%0.213SC..G310 helixtrans-68.1-20175.362.3-80.6000113.1L213L213-H215 PolarHBondContact O-N 3.1Å
216L95.1Very high95.6Very high6 Ų641.4 Ų41.43%0.03121%0.21CC..G310 helixtrans-106.35.2172.9-56.3-178.4000112.6L213 P214 S218 L246 H253 I259L213-L216 HydrophobicContact CB-CB 4.2Å; L213-L216 HydrophobicContact CB-CD1 4.43Å; L213-L216 HydrophobicContact CB-CG 4.47Å; L213-L216 HydrophobicContact CD1-CD1 4.21Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 WeakPolarHBondContact O-CA 3.21Å; L213-L216 PolarHBondContact O-N 3.28Å; P214-L216 PolarHBondContact O-N 3.46Å; L216-S218 PolarHBondContact O-N 3.48Å; L216-S218 PolarHBondContact O-OG 3.25Å; L216-L246 HydrophobicContact CB-CD1 4.02Å; L216-L246 HydrophobicContact CD1-CD1 4.07Å; L216-H253 HydrophobicContact CD2-CB 4.46Å; L216-I259 HydrophobicContact CD1-CD1 3.86Å; L216-I259 HydrophobicContact CD1-CG1 3.78Å
217K96.2Very high95.5Very high142 Ų14241.3 Ų41.362%0.61721%0.207SC*.THydrogen-bonded Turntrans4745.5-173.7-55.8175.8-176.6173.30112L213 P214 D238L213-K217 PolarHBondContact O-N 3.32Å; L213-K217 VanDerWaalsContact O-N 3.08Å; P214-K217 PolarHBondContact O-N 3.38Å; P214-K217 VanDerWaalsContact O-N 3.14Å; K217-D238 WeakPolarHBondContact O-CB 3.24Å; K217-D238 PolarHBondContact O-N 3.18Å
218S97.5Very high95.3Very high1 Ų140.6 Ų40.61%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-148.2168.2-169-61.70000111.2L213 L216 L236 P237 D238L213-S218 CarbonylContact C-O 3.56Å; L213-S218 VanDerWaalsContact CA-O 3.3Å; L213-S218 WeakPolarHBondContact CA-O 3.44Å; L213-S218 WeakPolarHBondContact CB-O 3.13Å; L213-S218 PolarHBondContact N-O 3.39Å; L213-S218 PolarHBondContact O-N 2.89Å; L216-S218 PolarHBondContact O-N 3.48Å; L216-S218 PolarHBondContact O-OG 3.25Å; S218-L236 CarbonylContact C-O 3.48Å; S218-L236 VanDerWaalsContact CA-O 3.28Å; S218-L236 WeakPolarHBondContact CA-O 3.31Å; S218-L236 WeakPolarHBondContact CB-O 3.39Å; S218-P237 WeakPolarHBondContact OG-CA 3.42Å; S218-D238 PolarHBondContact N-OD2 2.79Å
219R97.2Very high95.3Very high73 Ų7345 Ų4528%0.27524%0.236SC..EExtended strand (participates in β ladder)trans-129150.2171.1-64.4175.2-72.9150.42.3109.5M210 L236 D238 E357 F358M210-R219 HydrophobicContact CE-CB 4.07Å; M210-R219 HydrophobicContact CE-CG 4.19Å; R219-L236 PolarHBondContact N-O 3.3Å; R219-L236 PolarHBondContact O-N 2.69Å; R219-D238 IonicContact NE-OD1 3.73Å; R219-D238 PolarHBondContact NE-OD1 2.85Å; R219-E357 PolarHBondContact NH1-O 2.95Å; R219-F358 HydrophobicContact CB-CD2 4.48Å; R219-F358 HydrophobicContact CB-CE2 3.81Å
220A97.9Very high95.2Very high0 Ų042.1 Ų42.10%022%0.22CC..EExtended strand (participates in β ladder)trans-125.9146.7179.900000112.2M210 A211 L213 L233 V234 I235 F264M210-A220 CarbonylContact C-O 3.58Å; M210-A220 VanDerWaalsContact CA-O 3.3Å; M210-A220 WeakPolarHBondContact CA-O 3.34Å; M210-A220 WeakPolarHBondContact CG-O 3.28Å; A211-A220 PolarHBondContact N-O 2.69Å; A211-A220 PolarHBondContact O-N 2.92Å; L213-A220 HydrophobicContact CD1-CB 3.73Å; L213-A220 HydrophobicContact CG-CB 4.47Å; A220-L233 HydrophobicContact CB-CD1 4.11Å; A220-V234 CarbonylContact C-O 3.56Å; A220-V234 VanDerWaalsContact CA-O 3.22Å; A220-V234 WeakPolarHBondContact CA-O 3.41Å; A220-I235 HydrophobicContact CB-CG1 4.16Å; A220-F264 HydrophobicContact CB-CE1 3.96Å; A220-F264 HydrophobicContact CB-CZ 4.06Å
221V97.8Very high95.2Very high0 Ų041.3 Ų41.30%022%0.217CC..EExtended strand (participates in β ladder)trans-132.9139.1173.466.50000110.3F208 N209 I223 V234 L269 L271 F358F208-V221 HydrophobicContact CB-CG2 3.77Å; F208-V221 HydrophobicContact CG-CG2 4.4Å; N209-V221 WeakPolarHBondContact O-CA 3.32Å; V221-I223 HydrophobicContact CG1-CD1 4.37Å; V221-I223 HydrophobicContact CG1-CG1 4.26Å; V221-I223 HydrophobicContact CG2-CG1 4.42Å; V221-V234 HydrophobicContact CG1-CB 3.93Å; V221-V234 PolarHBondContact N-O 2.96Å; V221-V234 PolarHBondContact O-N 2.96Å; V221-L269 HydrophobicContact CG2-CD2 3.91Å; V221-L271 HydrophobicContact CG1-CD1 4.22Å; V221-F358 HydrophobicContact CB-CD1 4.46Å; V221-F358 HydrophobicContact CB-CD2 4.28Å; V221-F358 HydrophobicContact CB-CE1 4.29Å; V221-F358 HydrophobicContact CB-CE2 4.1Å; V221-F358 HydrophobicContact CB-CG 4.46Å; V221-F358 HydrophobicContact CB-CZ 4.12Å; V221-F358 HydrophobicContact CG1-CD1 3.78Å; V221-F358 HydrophobicContact CG1-CD2 4.41Å; V221-F358 HydrophobicContact CG1-CE1 3.46Å; V221-F358 VanDerWaalsContact CG1-CE1 3.46Å; V221-F358 HydrophobicContact CG1-CE2 4.14Å; V221-F358 HydrophobicContact CG1-CG 4.25Å; V221-F358 HydrophobicContact CG1-CZ 3.67Å
222K96.7Very high95.1Very high19 Ų1941.1 Ų41.18%0.08322%0.215CC..EExtended strand (participates in β ladder)trans-100.9118.9172.4-82.3-174.7175.7-1670109.1N209 T231 L233 F264 D372N209-K222 HydrophobicContact CB-CB 3.99Å; N209-K222 PolarHBondContact O-N 3.44Å; K222-T231 HydrophobicContact CB-CG2 3.57Å; K222-T231 HydrophobicContact CD-CG2 4.22Å; K222-T231 HydrophobicContact CG-CG2 3.78Å; K222-L233 HydrophobicContact CG-CD1 4.16Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CE1 4.32Å; K222-F264 HydrophobicContact CD-CG 4.33Å; K222-F264 HydrophobicContact CG-CD1 4.12Å; K222-F264 HydrophobicContact CG-CE1 3.9Å; K222-F264 HydrophobicContact CG-CZ 4.31Å; K222-D372 IonicContact NZ-OD1 2.96Å; K222-D372 PolarHBondContact NZ-OD1 2.91Å
223I95.7Very high95.2Very high1 Ų137 Ų371%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-110105.5-179.9-51.5167.7000108W175 F208 V221 L232 V234 L271 L273W175-I223 HydrophobicContact CE3-CG2 3.63Å; W175-I223 HydrophobicContact CZ3-CB 4.38Å; W175-I223 HydrophobicContact CZ3-CG2 3.81Å; F208-I223 HydrophobicContact CE1-CG2 4.25Å; V221-I223 HydrophobicContact CG1-CD1 4.37Å; V221-I223 HydrophobicContact CG1-CG1 4.26Å; V221-I223 HydrophobicContact CG2-CG1 4.42Å; I223-L232 HydrophobicContact CB-CB 4.31Å; I223-L232 HydrophobicContact CD1-CD2 4.21Å; I223-L232 PolarHBondContact N-O 2.9Å; I223-L232 PolarHBondContact O-N 2.88Å; I223-V234 HydrophobicContact CD1-CG2 4Å; I223-L271 HydrophobicContact CD1-CD1 4.46Å; I223-L271 HydrophobicContact CD1-CD2 3.71Å; I223-L271 HydrophobicContact CG1-CD2 3.86Å; I223-L273 HydrophobicContact CD1-CD2 4.12Å
224P94.7Very high95.3Very high37 Ų3737 Ų3724%0.2419%0.186CC..EExtended strand (participates in β ladder)trans-72.4137.6-175.426.5-32.3000112.1N176N176-P224 HydrophobicContact CB-CB 4.16Å; N176-P224 HydrophobicContact CB-CG 4.09Å; N176-P224 WeakPolarHBondContact CB-O 3.22Å; N176-P224 PolarHBondContact N-O 2.83Å
225F93.7Very high95.5Very high2 Ų232.4 Ų32.41%0.00916%0.157CC..BIsolated β-bridgetrans-81166.8164.8-66.1-79.1000110.4V88 F171 M174 W175 N227 F230 L232 F326 I368V88-F225 HydrophobicContact CG2-CB 3.84Å; V88-F225 HydrophobicContact CG2-CG 4.45Å; F171-F225 HydrophobicContact CE1-CD1 4.32Å; F171-F225 HydrophobicContact CE1-CD2 4.33Å; F171-F225 AromaticContact CE1-CE1 3.8Å; F171-F225 HydrophobicContact CE1-CE1 3.8Å; F171-F225 AromaticContact CE1-CE2 3.82Å; F171-F225 HydrophobicContact CE1-CE2 3.82Å; F171-F225 AromaticContact CE1-CZ 3.53Å; F171-F225 HydrophobicContact CE1-CZ 3.53Å; F171-F225 HydrophobicContact CZ-CD1 4.48Å; F171-F225 AromaticContact CZ-CD2 3.98Å; F171-F225 HydrophobicContact CZ-CD2 3.98Å; F171-F225 HydrophobicContact CZ-CE1 4.34Å; F171-F225 AromaticContact CZ-CE2 3.82Å; F171-F225 HydrophobicContact CZ-CE2 3.82Å; F171-F225 HydrophobicContact CZ-CG 4.31Å; F171-F225 HydrophobicContact CZ-CZ 4.01Å; M174-F225 CarbonylContact O-C 3.45Å; M174-F225 VanDerWaalsContact O-CA 3.26Å; M174-F225 WeakPolarHBondContact O-CA 3.29Å; M174-F225 WeakPolarHBondContact O-CB 2.97Å; M174-F225 WeakPolarHBondContact O-CD1 3.34Å; W175-F225 HydrophobicContact CD2-CE1 4.37Å; W175-F225 AromaticContact CE3-CD1 3.83Å; W175-F225 HydrophobicContact CE3-CD1 3.83Å; W175-F225 AromaticContact CE3-CE1 3.67Å; W175-F225 HydrophobicContact CE3-CE1 3.67Å; W175-F225 HydrophobicContact CE3-CZ 4.3Å; W175-F225 HydrophobicContact CH2-CD1 4.48Å; W175-F225 AromaticContact CH2-CE1 3.52Å; W175-F225 HydrophobicContact CH2-CE1 3.52Å; W175-F225 AromaticContact CH2-CZ 3.71Å; W175-F225 HydrophobicContact CH2-CZ 3.71Å; W175-F225 HydrophobicContact CZ2-CE1 4.24Å; W175-F225 AromaticContact CZ3-CD1 3.82Å; W175-F225 HydrophobicContact CZ3-CD1 3.82Å; W175-F225 AromaticContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE1 3.21Å; W175-F225 HydrophobicContact CZ3-CE2 4.21Å; W175-F225 AromaticContact CZ3-CZ 3.44Å; W175-F225 HydrophobicContact CZ3-CZ 3.44Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.44Å; F225-N227 CarbonylContact O-C 3.35Å; F225-N227 PolarHBondContact O-N 3.5Å; F225-F230 HydrophobicContact CB-CB 4.24Å; F225-F230 HydrophobicContact CD2-CB 3.83Å; F225-F230 WeakPolarHBondContact CD2-O 3.32Å; F225-F230 HydrophobicContact CG-CB 4.41Å; F225-F230 PolarHBondContact N-O 3.14Å; F225-L232 HydrophobicContact CE2-CB 3.81Å; F225-L232 HydrophobicContact CZ-CB 3.97Å; F225-F326 HydrophobicContact CZ-CE2 4.17Å; F225-F326 HydrophobicContact CZ-CZ 4.32Å; F225-I368 HydrophobicContact CE2-CG2 4.4Å
226K91.6Very high95.7Very high75 Ų7528.4 Ų28.433%0.32614%0.138SC..SBendtrans-57.6-32.2179.9-174.2168.9-170.9163.90112.8M174 P228M174-K226 HydrophobicContact CB-CB 3.94Å; M174-K226 HydrophobicContact CB-CD 4.25Å; M174-K226 HydrophobicContact CE-CD 3.82Å; M174-K226 PolarHBondContact O-N 3.3Å; M174-K226 HydrophobicContact SD-CD 3.73Å; K226-P228 WeakPolarHBondContact O-CD 3.28Å
227N92.2Very high95.9Very high26 Ų2628.2 Ų28.214%0.13914%0.137CC..SBendtrans-85.9111.6163-178.7-12.9000108.1S85 V88 F225 K229 F230S85-N227 WeakPolarHBondContact CB-ND2 3.48Å; S85-N227 PolarHBondContact OG-ND2 3Å; V88-N227 HydrophobicContact CB-CB 4.18Å; V88-N227 HydrophobicContact CG2-CB 3.72Å; F225-N227 CarbonylContact O-C 3.35Å; F225-N227 PolarHBondContact O-N 3.5Å; N227-K229 PolarHBondContact O-N 3.42Å; N227-K229 WeakPolarHBondContact OD1-CB 3.2Å; N227-K229 WeakPolarHBondContact OD1-CG 3.24Å; N227-K229 PolarHBondContact OD1-N 2.96Å; N227-K229 VanDerWaalsContact OD1-N 3.09Å; N227-F230 HydrophobicContact CB-CD2 4.08Å; N227-F230 PolarHBondContact O-N 3.29Å
228P91.8Very high95.9Very high101 Ų10125.4 Ų25.466%0.65613%0.129SC*.THydrogen-bonded Turntrans-65.2-12.5-174.228-36.5000113.4K226 F230K226-P228 WeakPolarHBondContact O-CD 3.28Å; P228-F230 PolarHBondContact O-N 3.45Å
229K94.4Very high95.9Very high97 Ų9729.1 Ų29.142%0.42215%0.152SC..THydrogen-bonded Turntrans-66.9-22.3171.6-63.8-173.8176.4-175.70112.8N227 W370 N371N227-K229 PolarHBondContact O-N 3.42Å; N227-K229 WeakPolarHBondContact OD1-CB 3.2Å; N227-K229 WeakPolarHBondContact OD1-CG 3.24Å; N227-K229 PolarHBondContact OD1-N 2.96Å; N227-K229 VanDerWaalsContact OD1-N 3.09Å; K229-W370 CarbonylContact O-C 3.6Å; K229-W370 VanDerWaalsContact O-CA 3.23Å; K229-W370 WeakPolarHBondContact O-CA 3.49Å; K229-N371 WeakPolarHBondContact CG-OD1 3.43Å; K229-N371 PolarHBondContact O-N 2.86Å
230F94.9Very high95.8Very high4 Ų428.6 Ų28.62%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-110.5131.1-179.5-63-84.2000110.1V88 I90 F171 F225 N227 P228 I368 I369 W370V88-F230 HydrophobicContact CB-CD2 4.21Å; V88-F230 HydrophobicContact CB-CE2 4.49Å; V88-F230 HydrophobicContact CG1-CD2 3.82Å; V88-F230 HydrophobicContact CG1-CE2 3.95Å; V88-F230 HydrophobicContact CG1-CG 4.22Å; V88-F230 HydrophobicContact CG1-CZ 4.46Å; V88-F230 HydrophobicContact CG2-CD2 4.15Å; I90-F230 HydrophobicContact CD1-CE1 4.41Å; F171-F230 HydrophobicContact CE2-CB 4.47Å; F171-F230 AromaticContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CE1 4.24Å; F171-F230 HydrophobicContact CE2-CG 4.15Å; F171-F230 HydrophobicContact CZ-CB 4.29Å; F171-F230 HydrophobicContact CZ-CD1 4.45Å; F171-F230 HydrophobicContact CZ-CG 4.44Å; F225-F230 HydrophobicContact CB-CB 4.24Å; F225-F230 HydrophobicContact CD2-CB 3.83Å; F225-F230 WeakPolarHBondContact CD2-O 3.32Å; F225-F230 HydrophobicContact CG-CB 4.41Å; F225-F230 PolarHBondContact N-O 3.14Å; N227-F230 HydrophobicContact CB-CD2 4.08Å; N227-F230 PolarHBondContact O-N 3.29Å; P228-F230 PolarHBondContact O-N 3.45Å; F230-I368 HydrophobicContact CD1-CG2 4.25Å; F230-I369 WeakPolarHBondContact CA-O 3.48Å; F230-W370 HydrophobicContact CD1-CB 4.37Å; F230-W370 HydrophobicContact CE1-CB 4.25Å; F230-W370 AromaticContact CE1-CD1 3.58Å; F230-W370 HydrophobicContact CE1-CG 4.11Å; F230-W370 AromaticContact CZ-CD1 3.69Å
231T95.8Very high95.6Very high10 Ų1033.6 Ų33.66%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-135.4133.9177.2-67.40000109.6K222 I369K222-T231 HydrophobicContact CB-CG2 3.57Å; K222-T231 HydrophobicContact CD-CG2 4.22Å; K222-T231 HydrophobicContact CG-CG2 3.78Å; T231-I369 PolarHBondContact N-O 3.31Å; T231-I369 PolarHBondContact O-N 3.27Å
232L96.3Very high95.5Very high1 Ų133.9 Ų33.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-81.3116.2166.7177.367.3000108.5W175 I223 F225 V234 L273 F326 I366 I368W175-L232 HydrophobicContact CH2-CB 4.39Å; W175-L232 HydrophobicContact CH2-CD2 3.66Å; W175-L232 HydrophobicContact CZ3-CB 4.04Å; W175-L232 HydrophobicContact CZ3-CD2 4.05Å; I223-L232 HydrophobicContact CB-CB 4.31Å; I223-L232 HydrophobicContact CD1-CD2 4.21Å; I223-L232 PolarHBondContact N-O 2.9Å; I223-L232 PolarHBondContact O-N 2.88Å; F225-L232 HydrophobicContact CE2-CB 3.81Å; F225-L232 HydrophobicContact CZ-CB 3.97Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 3.93Å; L232-L273 HydrophobicContact CD2-CD2 4.41Å; L232-F326 HydrophobicContact CD1-CE1 4.04Å; L232-F326 HydrophobicContact CD1-CZ 3.96Å; L232-F326 HydrophobicContact CD2-CZ 4.27Å; L232-I366 HydrophobicContact CD1-CB 4.18Å; L232-I366 HydrophobicContact CD1-CG2 4.47Å; L232-I368 HydrophobicContact CD1-CG1 4.31Å
233L97.2Very high95.5Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-87.6125.1165.8177.766.5000108.5A220 K222 I235 I256 I259 L260 F264 I366 S367 I369A220-L233 HydrophobicContact CB-CD1 4.11Å; K222-L233 HydrophobicContact CG-CD1 4.16Å; L233-I235 HydrophobicContact CD1-CG1 4.44Å; L233-I235 HydrophobicContact CD2-CD1 4.17Å; L233-I235 HydrophobicContact CD2-CG1 4.27Å; L233-I235 HydrophobicContact CG-CG1 4.09Å; L233-I256 HydrophobicContact CD2-CD1 4.31Å; L233-I256 HydrophobicContact CD2-CG1 4.31Å; L233-I259 HydrophobicContact CD2-CG2 4.24Å; L233-L260 HydrophobicContact CD2-CD2 4.03Å; L233-F264 HydrophobicContact CD1-CE1 4.17Å; L233-F264 HydrophobicContact CD1-CZ 3.87Å; L233-I366 CarbonylContact O-C 3.46Å; L233-I366 WeakPolarHBondContact O-CA 3.35Å; L233-S367 PolarHBondContact N-O 2.88Å; L233-S367 PolarHBondContact O-N 3.04Å; L233-I369 HydrophobicContact CB-CG1 3.95Å
234V97.7Very high95.3Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-114.7128.6169.8-179.50000108.2A220 V221 I223 L232 L273 F358 V360 F364 I366A220-V234 CarbonylContact C-O 3.56Å; A220-V234 VanDerWaalsContact CA-O 3.22Å; A220-V234 WeakPolarHBondContact CA-O 3.41Å; V221-V234 HydrophobicContact CG1-CB 3.93Å; V221-V234 PolarHBondContact N-O 2.96Å; V221-V234 PolarHBondContact O-N 2.96Å; I223-V234 HydrophobicContact CD1-CG2 4Å; L232-V234 HydrophobicContact CD2-CG2 3.91Å; L232-V234 HydrophobicContact CG-CG2 3.93Å; V234-L273 HydrophobicContact CG2-CD1 4.21Å; V234-F358 HydrophobicContact CG1-CE1 4.08Å; V234-V360 HydrophobicContact CG1-CG2 3.91Å; V234-F364 HydrophobicContact CG1-CD2 3.86Å; V234-F364 HydrophobicContact CG1-CE2 4.5Å; V234-I366 HydrophobicContact CG2-CG2 4.35Å
235I98Very high95.3Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-116.8119.8173.8-47.9176000108.1L213 A220 L233 L246 M250 I259 F364 F365L213-I235 HydrophobicContact CD1-CG2 4.14Å; A220-I235 HydrophobicContact CB-CG1 4.16Å; L233-I235 HydrophobicContact CD1-CG1 4.44Å; L233-I235 HydrophobicContact CD2-CD1 4.17Å; L233-I235 HydrophobicContact CD2-CG1 4.27Å; L233-I235 HydrophobicContact CG-CG1 4.09Å; I235-L246 HydrophobicContact CB-CD2 4.22Å; I235-L246 HydrophobicContact CG2-CD1 3.83Å; I235-L246 HydrophobicContact CG2-CD2 3.75Å; I235-L246 HydrophobicContact CG2-CG 4.47Å; I235-M250 HydrophobicContact CD1-SD 4.49Å; I235-I259 HydrophobicContact CD1-CD1 3.59Å; I235-I259 HydrophobicContact CD1-CG1 4.39Å; I235-I259 HydrophobicContact CD1-CG2 3.95Å; I235-F364 WeakPolarHBondContact O-CB 3.14Å; I235-F365 HydrophobicContact CB-CB 4.25Å; I235-F365 HydrophobicContact CB-CD1 4.36Å; I235-F365 HydrophobicContact CD1-CD1 3.63Å; I235-F365 HydrophobicContact CD1-CE1 4.12Å; I235-F365 HydrophobicContact CG1-CD1 3.97Å; I235-F365 PolarHBondContact N-O 3.32Å; I235-F365 PolarHBondContact O-N 2.99Å
236L98.3Very high95.4Very high1 Ų136.9 Ų36.91%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-114.8119.3-174.7-173.368.6000109.3S218 R219 F358 R359 V360 H362 F364S218-L236 CarbonylContact C-O 3.48Å; S218-L236 VanDerWaalsContact CA-O 3.28Å; S218-L236 WeakPolarHBondContact CA-O 3.31Å; S218-L236 WeakPolarHBondContact CB-O 3.39Å; R219-L236 PolarHBondContact N-O 3.3Å; R219-L236 PolarHBondContact O-N 2.69Å; L236-F358 HydrophobicContact CB-CE1 3.93Å; L236-F358 HydrophobicContact CB-CE2 4.37Å; L236-F358 HydrophobicContact CB-CZ 3.57Å; L236-F358 HydrophobicContact CD2-CD1 4.39Å; L236-F358 HydrophobicContact CD2-CE1 4.07Å; L236-F358 HydrophobicContact CD2-CZ 4.28Å; L236-R359 VanDerWaalsContact CD2-O 3.24Å; L236-R359 WeakPolarHBondContact CD2-O 3.42Å; L236-V360 HydrophobicContact CD1-CG1 4.27Å; L236-V360 HydrophobicContact CD2-CG2 4.46Å; L236-H362 VanDerWaalsContact CD1-CE1 3.47Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.3Å; L236-H362 VanDerWaalsContact CD1-NE2 3.35Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.42Å; L236-F364 HydrophobicContact CD1-CB 3.98Å
237P98.1Very high95.4Very high2 Ų233.4 Ų33.41%0.01319%0.185CC..EExtended strand (participates in β ladder)trans-56.4154.5169.8-23.233.7000112.6S218 V239 L243 L246 H362 P363S218-P237 WeakPolarHBondContact OG-CA 3.42Å; P237-V239 PolarHBondContact O-N 2.98Å; P237-L243 HydrophobicContact CG-CB 4.47Å; P237-L246 HydrophobicContact CG-CB 4.16Å; P237-L246 HydrophobicContact CG-CD2 3.81Å; P237-H362 PolarHBondContact O-CE1 2.88Å; P237-H362 PolarHBondContact O-NE2 3.05Å; P237-P363 WeakPolarHBondContact CD-O 3.35Å
238D97.5Very high95.4Very high83 Ų8335.8 Ų35.844%0.44420%0.198SC..SBendtrans-75.5-16.9176.4-68.2-34.9000112.5K217 S218 R219K217-D238 WeakPolarHBondContact O-CB 3.24Å; K217-D238 PolarHBondContact O-N 3.18Å; S218-D238 PolarHBondContact N-OD2 2.79Å; R219-D238 IonicContact NE-OD1 3.73Å; R219-D238 PolarHBondContact NE-OD1 2.85Å
239V96.8Very high95.3Very high80 Ų8032.5 Ų32.549%0.48518%0.177SC..SBendtrans-125.9146179.3-59.60000111.4P237 N241 G242P237-V239 PolarHBondContact O-N 2.98Å; V239-N241 VanDerWaalsContact C-N 3.29Å; V239-N241 PolarHBondContact O-N 2.82Å; V239-N241 VanDerWaalsContact O-N 3.14Å; V239-G242 PolarHBondContact O-N 2.9Å
240N95.3Very high95.2Very high61 Ų6128.4 Ų28.433%0.32616%0.16SC..THydrogen-bonded Turntrans-57.2-35.9-170.1-65.4-4.8000114.9Y190 H362Y190-N240 WeakPolarHBondContact CB-ND2 3.19Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.17Å; N240-H362 HydrophobicContact CB-CB 3.97Å; N240-H362 PolarHBondContact OD1-ND1 2.9Å
241N93.9Very high94.5Very high106 Ų10633.3 Ų33.357%0.56718%0.179SC*.THydrogen-bonded Turntrans-9715.8179.465.4-17.1000113.1V239 L243 P244V239-N241 VanDerWaalsContact C-N 3.29Å; V239-N241 PolarHBondContact O-N 2.82Å; V239-N241 VanDerWaalsContact O-N 3.14Å; N241-L243 VanDerWaalsContact C-N 3.34Å; N241-L243 PolarHBondContact O-N 2.84Å; N241-P244 VanDerWaalsContact O-CD 3.32Å; N241-P244 WeakPolarHBondContact O-CD 3.49Å
242G95.8Very high94.1Very high5 Ų540.3 Ų40.35%0.05221%0.209CC..  trans-81.6-4.3-17200000115.4V239 D245 L246V239-G242 PolarHBondContact O-N 2.9Å; G242-D245 PolarHBondContact O-N 2.62Å; G242-L246 WeakPolarHBondContact O-CB 3.32Å; G242-L246 PolarHBondContact O-N 3.12Å
243L95.3Very high93.5Very high0 Ų044.7 Ų44.70%023%0.229CC..Hα-helixtrans-57.4-46.2-178.2177.970.2000113.2L192 P237 N241 D245 L246 L247 P363 H380 T382L192-L243 HydrophobicContact CD2-CB 4.21Å; P237-L243 HydrophobicContact CG-CB 4.47Å; N241-L243 VanDerWaalsContact C-N 3.34Å; N241-L243 PolarHBondContact O-N 2.84Å; L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 2.7Å; L243-L246 HydrophobicContact CD1-CD2 4.32Å; L243-L246 WeakPolarHBondContact O-CB 3.33Å; L243-L246 PolarHBondContact O-N 3.05Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.28Å; L243-L247 HydrophobicContact CD1-CG 3.92Å; L243-L247 HydrophobicContact CD2-CD1 4.43Å; L243-L247 HydrophobicContact CG-CD1 3.89Å; L243-L247 HydrophobicContact CG-CG 4.21Å; L243-L247 VanDerWaalsContact O-CG 3.28Å; L243-L247 WeakPolarHBondContact O-CG 2.99Å; L243-L247 PolarHBondContact O-N 3.2Å; L243-P363 HydrophobicContact CB-CB 3.8Å; L243-P363 HydrophobicContact CD2-CB 3.65Å; L243-P363 HydrophobicContact CG-CB 4.3Å; L243-H380 HydrophobicContact CD1-CB 4.08Å; L243-H380 HydrophobicContact CD2-CB 3.97Å; L243-T382 HydrophobicContact CD2-CG2 3.92Å
244P93.2Very high92.8Very high29 Ų2946.9 Ų46.919%0.18825%0.251CS..Hα-helixtrans-58.8-41.6177.3-25.537000112.8W26 L192 N241 L247 N248W26-P244 HydrophobicContact CZ2-CB 3.77Å; W26-P244 HydrophobicContact CZ2-CG 4.22Å; L192-P244 HydrophobicContact CD2-CG 4.49Å; N241-P244 VanDerWaalsContact O-CD 3.32Å; N241-P244 WeakPolarHBondContact O-CD 3.49Å; P244-L247 PolarHBondContact O-N 2.86Å; P244-N248 WeakPolarHBondContact O-CB 3.31Å; P244-N248 PolarHBondContact O-N 2.65Å; P244-N248 PolarHBondContact O-ND2 3.15Å
245D93.5Very high92.4Very high93 Ų9347 Ų4750%0.49725%0.253SS..Hα-helixtrans-66.4-42.3177.6-78.1-8.1000111.7G242 L243 S249G242-D245 PolarHBondContact O-N 2.62Å; L243-D245 VanDerWaalsContact C-N 3.31Å; L243-D245 PolarHBondContact O-N 2.7Å; D245-S249 WeakPolarHBondContact O-CB 3.47Å; D245-S249 PolarHBondContact O-N 3.29Å; D245-S249 PolarHBondContact O-OG 2.86Å
246L95.1Very high92Very high1 Ų147.1 Ų47.11%0.00525%0.253CS..Hα-helixtrans-57.5-51.2173.4163.760.8000110.5L216 I235 P237 G242 L243 N248 S249 M250 F365L216-L246 HydrophobicContact CB-CD1 4.02Å; L216-L246 HydrophobicContact CD1-CD1 4.07Å; I235-L246 HydrophobicContact CB-CD2 4.22Å; I235-L246 HydrophobicContact CG2-CD1 3.83Å; I235-L246 HydrophobicContact CG2-CD2 3.75Å; I235-L246 HydrophobicContact CG2-CG 4.47Å; P237-L246 HydrophobicContact CG-CB 4.16Å; P237-L246 HydrophobicContact CG-CD2 3.81Å; G242-L246 WeakPolarHBondContact O-CB 3.32Å; G242-L246 PolarHBondContact O-N 3.12Å; L243-L246 HydrophobicContact CD1-CD2 4.32Å; L243-L246 WeakPolarHBondContact O-CB 3.33Å; L243-L246 PolarHBondContact O-N 3.05Å; L246-N248 PolarHBondContact O-N 3.09Å; L246-S249 PolarHBondContact O-N 2.86Å; L246-M250 VanDerWaalsContact O-CB 3.31Å; L246-M250 WeakPolarHBondContact O-CB 3.33Å; L246-M250 PolarHBondContact O-N 2.87Å; L246-F365 HydrophobicContact CD2-CB 4.2Å
247L93.2Very high91.5Very high1 Ų148.8 Ų48.81%0.00527%0.265CS..Hα-helixtrans-64.6-42.8-176.2-67.2177.3000112.2Y15 L19 W26 L243 P244 S249 M250 Y251 F365 H380Y15-L247 HydrophobicContact CE1-CD2 4.05Å; L19-L247 HydrophobicContact CD1-CB 3.8Å; L19-L247 HydrophobicContact CD1-CD1 4.26Å; L19-L247 HydrophobicContact CD1-CD2 4.39Å; L19-L247 HydrophobicContact CD1-CG 4.37Å; L19-L247 HydrophobicContact CD2-CD1 4.23Å; W26-L247 HydrophobicContact CE3-CD1 3.96Å; W26-L247 HydrophobicContact CH2-CB 4.5Å; W26-L247 HydrophobicContact CH2-CD1 3.94Å; W26-L247 HydrophobicContact CZ3-CD1 3.3Å; L243-L247 HydrophobicContact CD1-CD1 3.98Å; L243-L247 HydrophobicContact CD1-CD2 4.28Å; L243-L247 HydrophobicContact CD1-CG 3.92Å; L243-L247 HydrophobicContact CD2-CD1 4.43Å; L243-L247 HydrophobicContact CG-CD1 3.89Å; L243-L247 HydrophobicContact CG-CG 4.21Å; L243-L247 VanDerWaalsContact O-CG 3.28Å; L243-L247 WeakPolarHBondContact O-CG 2.99Å; L243-L247 PolarHBondContact O-N 3.2Å; P244-L247 PolarHBondContact O-N 2.86Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.32Å; L247-M250 HydrophobicContact CD2-CE 4.13Å; L247-Y251 PolarHBondContact O-N 3.47Å; L247-F365 HydrophobicContact CD2-CB 4.45Å; L247-F365 HydrophobicContact CD2-CD2 3.81Å; L247-H380 HydrophobicContact CD1-CB 4.35Å
248N90.9Very high91.2Very high77 Ų7750.7 Ų50.741%0.41228%0.279SS..Hα-helixtrans-63.2-37.1174.3-77-25.5000112.6P244 L246 K252P244-N248 WeakPolarHBondContact O-CB 3.31Å; P244-N248 PolarHBondContact O-N 2.65Å; P244-N248 PolarHBondContact O-ND2 3.15Å; L246-N248 PolarHBondContact O-N 3.09Å; N248-K252 WeakPolarHBondContact O-CG 3.23Å
249S91.3Very high91Very high31 Ų3146.8 Ų46.822%0.21726%0.258CS..Hα-helixtrans-77.9-38.3-178.8-570000112D245 L246 L247 Y251 K252 H253D245-S249 WeakPolarHBondContact O-CB 3.47Å; D245-S249 PolarHBondContact O-N 3.29Å; D245-S249 PolarHBondContact O-OG 2.86Å; L246-S249 PolarHBondContact O-N 2.86Å; L247-S249 VanDerWaalsContact C-N 3.32Å; L247-S249 PolarHBondContact O-N 3.32Å; S249-Y251 PolarHBondContact O-N 3.49Å; S249-K252 PolarHBondContact O-N 2.98Å; S249-K252 VanDerWaalsContact O-N 3.15Å; S249-H253 WeakPolarHBondContact O-CB 3.5Å; S249-H253 PolarHBondContact O-CD2 3.26Å; S249-H253 PolarHBondContact O-N 3.39Å
250M90.3Very high90.8Very high11 Ų1144 Ų445%0.05424%0.24CC..Hα-helixtrans-54.9-44178.2-179.5171.772.500111Y15 I235 L246 L247 H253 G255 I259 F365Y15-M250 HydrophobicContact CD1-CE 4.13Å; Y15-M250 HydrophobicContact CE1-CE 3.9Å; I235-M250 HydrophobicContact CD1-SD 4.49Å; L246-M250 VanDerWaalsContact O-CB 3.31Å; L246-M250 WeakPolarHBondContact O-CB 3.33Å; L246-M250 PolarHBondContact O-N 2.87Å; L247-M250 HydrophobicContact CD2-CE 4.13Å; M250-H253 PolarHBondContact O-N 2.86Å; M250-G255 VanDerWaalsContact O-CA 3.23Å; M250-G255 WeakPolarHBondContact O-CA 2.92Å; M250-G255 PolarHBondContact O-N 2.9Å; M250-I259 HydrophobicContact CB-CD1 4.49Å; M250-I259 HydrophobicContact CG-CD1 3.56Å; M250-I259 HydrophobicContact SD-CD1 3.61Å; M250-F365 HydrophobicContact CE-CD2 4.09Å; M250-F365 HydrophobicContact CE-CE2 3.77Å; M250-F365 HydrophobicContact CE-CZ 4.08Å; M250-F365 HydrophobicContact SD-CE1 4.35Å; M250-F365 HydrophobicContact SD-CE2 4.43Å; M250-F365 HydrophobicContact SD-CZ 4.28Å
251Y81.9Confident90.7Very high107 Ų10746 Ų4642%0.4226%0.259SS..Hα-helixtrans-62.3-51.9175.3173-104.2000112.7E16 L247 S249 H253 G254E16-Y251 HydrophobicContact CB-CD2 3.88Å; E16-Y251 HydrophobicContact CB-CE2 4.03Å; E16-Y251 HydrophobicContact CB-CG 4.49Å; E16-Y251 VanDerWaalsContact CD-OH 3.24Å; E16-Y251 HydrophobicContact CG-CD1 4.35Å; E16-Y251 HydrophobicContact CG-CD2 3.81Å; E16-Y251 HydrophobicContact CG-CE1 4.4Å; E16-Y251 HydrophobicContact CG-CE2 3.86Å; E16-Y251 HydrophobicContact CG-CG 4.04Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.43Å; E16-Y251 PolarHBondContact OE1-OH 2.82Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.36Å; E16-Y251 PolarHBondContact OE2-OH 3.28Å; L247-Y251 PolarHBondContact O-N 3.47Å; S249-Y251 PolarHBondContact O-N 3.49Å; Y251-H253 PolarHBondContact O-N 3.1Å; Y251-H253 VanDerWaalsContact O-N 3.09Å; Y251-G254 PolarHBondContact O-N 2.98Å
252K85.7Confident90.6Very high158 Ų15842.5 Ų42.569%0.68724%0.243SC*.Hα-helixtrans-60-24.6-178-70.1175.8-176.9177.20113.4N248 S249N248-K252 WeakPolarHBondContact O-CG 3.23Å; S249-K252 PolarHBondContact O-N 2.98Å; S249-K252 VanDerWaalsContact O-N 3.15Å
253H84.7Confident90.5Very high92 Ų9246.7 Ų46.743%0.42627%0.271SS..THydrogen-bonded Turntrans-108.530.1-174.4-64.8-62.1000113.8L216 S249 M250 Y251 S258L216-H253 HydrophobicContact CD2-CB 4.46Å; S249-H253 WeakPolarHBondContact O-CB 3.5Å; S249-H253 PolarHBondContact O-CD2 3.26Å; S249-H253 PolarHBondContact O-N 3.39Å; M250-H253 PolarHBondContact O-N 2.86Å; Y251-H253 PolarHBondContact O-N 3.1Å; Y251-H253 VanDerWaalsContact O-N 3.09Å; H253-S258 WeakPolarHBondContact O-CB 3.42Å; H253-S258 PolarHBondContact O-OG 3.46Å
254G83Confident90.5Very high46 Ų4648.4 Ų48.447%0.47428%0.279SS..THydrogen-bonded Turntrans89.320.4170.300000114.9Y251 S258Y251-G254 PolarHBondContact O-N 2.98Å; G254-S258 PolarHBondContact O-N 2.69Å
255G88Confident90.7Very high4 Ų453.2 Ų53.24%0.04130%0.299CS..Hα-helixtrans66.2-156.6171.100000113.9D12 M250 S257 S258D12-G255 WeakPolarHBondContact OD1-CA 3.4Å; M250-G255 VanDerWaalsContact O-CA 3.23Å; M250-G255 WeakPolarHBondContact O-CA 2.92Å; M250-G255 PolarHBondContact O-N 2.9Å; G255-S257 VanDerWaalsContact C-N 3.27Å; G255-S257 PolarHBondContact O-N 3.25Å; G255-S258 PolarHBondContact O-N 2.8Å
256I90.2Very high90.8Very high1 Ų153.5 Ų53.51%0.00530%0.304CS..Hα-helixtrans-67.9-28.9-176.4-162.1171.7000112.8D12 L233 S258 I259 L260 F365 S367 I369 P375D12-I256 PolarHBondContact OD1-N 3.45Å; D12-I256 VanDerWaalsContact OD1-N 3.08Å; L233-I256 HydrophobicContact CD2-CD1 4.31Å; L233-I256 HydrophobicContact CD2-CG1 4.31Å; I256-S258 VanDerWaalsContact C-N 3.33Å; I256-S258 PolarHBondContact O-N 3.06Å; I256-I259 WeakPolarHBondContact O-CB 3.43Å; I256-I259 PolarHBondContact O-N 2.8Å; I256-L260 HydrophobicContact CG1-CD1 4.41Å; I256-L260 HydrophobicContact CG1-CG 4.37Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.45Å; I256-F365 HydrophobicContact CD1-CE1 4.08Å; I256-F365 HydrophobicContact CD1-CZ 4.19Å; I256-S367 WeakPolarHBondContact CD1-OG 3.16Å; I256-I369 HydrophobicContact CD1-CD1 3.79Å; I256-P375 HydrophobicContact CD1-CB 4.03Å; I256-P375 HydrophobicContact CG2-CB 4.37Å; I256-P375 HydrophobicContact CG2-CG 3.91Å
257S88.9Confident90.8Very high36 Ų3655.3 Ų55.325%0.25232%0.315SS..Hα-helixtrans-62.1-39.2179.5-58.40000113.2T8 G255 I259 L260 S261T8-S257 WeakPolarHBondContact CG2-OG 3.34Å; G255-S257 VanDerWaalsContact C-N 3.27Å; G255-S257 PolarHBondContact O-N 3.25Å; S257-I259 VanDerWaalsContact C-N 3.33Å; S257-L260 PolarHBondContact O-N 3.27Å; S257-S261 WeakPolarHBondContact O-CB 3.35Å; S257-S261 PolarHBondContact O-N 3.36Å; S257-S261 PolarHBondContact O-OG 3.08Å
258S90.9Very high90.9Very high43 Ų4358.2 Ų58.230%0.30133%0.329SS..Hα-helixtrans-61.5-43175.5-177.10000111.3H253 G254 G255 I256 S261 S262H253-S258 WeakPolarHBondContact O-CB 3.42Å; H253-S258 PolarHBondContact O-OG 3.46Å; G254-S258 PolarHBondContact O-N 2.69Å; G255-S258 PolarHBondContact O-N 2.8Å; I256-S258 VanDerWaalsContact C-N 3.33Å; I256-S258 PolarHBondContact O-N 3.06Å; S258-S261 PolarHBondContact O-N 3.09Å; S258-S262 PolarHBondContact O-N 3.03Å; S258-S262 PolarHBondContact O-OG 3.39Å
259I93.5Very high91.2Very high1 Ų154.6 Ų54.61%0.00531%0.309CS..Hα-helixtrans-65.7-45.7176.4-65.8151.1000110.6L213 L216 L233 I235 M250 I256 S257 S261 S262 F264L213-I259 HydrophobicContact CD1-CG1 4.38Å; L213-I259 HydrophobicContact CD1-CG2 3.97Å; L216-I259 HydrophobicContact CD1-CD1 3.86Å; L216-I259 HydrophobicContact CD1-CG1 3.78Å; L233-I259 HydrophobicContact CD2-CG2 4.24Å; I235-I259 HydrophobicContact CD1-CD1 3.59Å; I235-I259 HydrophobicContact CD1-CG1 4.39Å; I235-I259 HydrophobicContact CD1-CG2 3.95Å; M250-I259 HydrophobicContact CB-CD1 4.49Å; M250-I259 HydrophobicContact CG-CD1 3.56Å; M250-I259 HydrophobicContact SD-CD1 3.61Å; I256-I259 WeakPolarHBondContact O-CB 3.43Å; I256-I259 PolarHBondContact O-N 2.8Å; S257-I259 VanDerWaalsContact C-N 3.33Å; I259-S261 PolarHBondContact O-N 2.96Å; I259-S262 WeakPolarHBondContact O-CB 3.14Å; I259-S262 PolarHBondContact O-N 2.84Å; I259-S262 PolarHBondContact O-OG 2.99Å; I259-F264 WeakPolarHBondContact O-CE2 2.94Å
260L92.6Very high91.4Very high21 Ų2155.9 Ų55.911%0.1131%0.311CS..Hα-helixtrans-62.9-28.8178.6-66.9174.5000113.2L233 I256 S257 S262 I369L233-L260 HydrophobicContact CD2-CD2 4.03Å; I256-L260 HydrophobicContact CG1-CD1 4.41Å; I256-L260 HydrophobicContact CG1-CG 4.37Å; I256-L260 WeakPolarHBondContact O-CG 3.41Å; I256-L260 PolarHBondContact O-N 3.45Å; S257-L260 PolarHBondContact O-N 3.27Å; L260-S262 VanDerWaalsContact C-N 3.29Å; L260-I369 HydrophobicContact CD1-CD1 4.03Å; L260-I369 HydrophobicContact CD1-CG2 4.22Å; L260-I369 HydrophobicContact CD2-CD1 3.98Å; L260-I369 HydrophobicContact CD2-CG1 3.88Å; L260-I369 HydrophobicContact CD2-CG2 4.17Å
261S92.1Very high91.7Very high102 Ų10255.4 Ų55.471%0.71331%0.309SS*.THydrogen-bonded Turntrans-80.2-8.6176.5-550000113.3S257 S258 I259S257-S261 WeakPolarHBondContact O-CB 3.35Å; S257-S261 PolarHBondContact O-N 3.36Å; S257-S261 PolarHBondContact O-OG 3.08Å; S258-S261 PolarHBondContact O-N 3.09Å; I259-S261 PolarHBondContact O-N 2.96Å
262S93.1Very high92.5Very high33 Ų3351.3 Ų51.323%0.23129%0.293CS..SBendtrans-67.5156.1177.6-63.10000111.5S258 I259 L260 F264S258-S262 PolarHBondContact O-N 3.03Å; S258-S262 PolarHBondContact O-OG 3.39Å; I259-S262 WeakPolarHBondContact O-CB 3.14Å; I259-S262 PolarHBondContact O-N 2.84Å; I259-S262 PolarHBondContact O-OG 2.99Å; L260-S262 VanDerWaalsContact C-N 3.29Å; S262-F264 WeakPolarHBondContact O-CD2 3.44Å; S262-F264 PolarHBondContact O-N 3.41Å
263S93Very high93Very high94 Ų9443.8 Ų43.866%0.65726%0.26SS*.  trans-73.599.4178.5-172.30000110.8
264F96.2Very high93.5Very high36 Ų3639.4 Ų39.416%0.15824%0.24CC..  trans-83.1127.3168.1-75.2-95000110N209 M210 A211 A220 K222 L233 I259 S262N209-F264 HydrophobicContact CB-CB 4.13Å; N209-F264 HydrophobicContact CB-CD1 4.4Å; M210-F264 WeakPolarHBondContact O-CA 3.43Å; A211-F264 HydrophobicContact CB-CD1 3.73Å; A211-F264 HydrophobicContact CB-CD2 4.21Å; A211-F264 HydrophobicContact CB-CE1 3.72Å; A211-F264 HydrophobicContact CB-CE2 4.2Å; A211-F264 HydrophobicContact CB-CG 3.98Å; A211-F264 HydrophobicContact CB-CZ 3.95Å; A220-F264 HydrophobicContact CB-CE1 3.96Å; A220-F264 HydrophobicContact CB-CZ 4.06Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CE1 4.32Å; K222-F264 HydrophobicContact CD-CG 4.33Å; K222-F264 HydrophobicContact CG-CD1 4.12Å; K222-F264 HydrophobicContact CG-CE1 3.9Å; K222-F264 HydrophobicContact CG-CZ 4.31Å; L233-F264 HydrophobicContact CD1-CE1 4.17Å; L233-F264 HydrophobicContact CD1-CZ 3.87Å; I259-F264 WeakPolarHBondContact O-CE2 2.94Å; S262-F264 WeakPolarHBondContact O-CD2 3.44Å; S262-F264 PolarHBondContact O-N 3.41Å
265Q95.9Very high93.8Very high129 Ų12941.2 Ų41.260%0.60324%0.235SC*.EExtended strand (participates in β ladder)trans-110133.9178.7-63.7-176.2-3.400110.1M210 T267M210-Q265 PolarHBondContact N-O 2.96Å; M210-Q265 PolarHBondContact O-N 2.68Å; Q265-T267 PolarHBondContact O-N 3.43Å; Q265-T267 VanDerWaalsContact O-N 3.15Å; Q265-T267 PolarHBondContact O-OG1 3.48Å
266T96.7Very high93.8Very high100 Ų10041.4 Ų41.461%0.61323%0.234SC*.EExtended strand (participates in β ladder)trans-63.6114.6171-54.30000109.1Y207 N209Y207-T266 HydrophobicContact CD1-CG2 4.1Å; Y207-T266 HydrophobicContact CG-CG2 4.42Å; N209-T266 PolarHBondContact OD1-OG1 3.49Å
267T95Very high93.5Very high38 Ų3844.3 Ų44.323%0.23325%0.247CC..EExtended strand (participates in β ladder)trans-130.6131.4-171.4-54.50000109.2Y207 F208 Q265 L269 P356Y207-T267 WeakPolarHBondContact CA-O 3.26Å; F208-T267 PolarHBondContact N-O 3.15Å; F208-T267 PolarHBondContact O-N 3.42Å; Q265-T267 PolarHBondContact O-N 3.43Å; Q265-T267 VanDerWaalsContact O-N 3.15Å; Q265-T267 PolarHBondContact O-OG1 3.48Å; T267-L269 PolarHBondContact O-N 3.09Å; T267-P356 HydrophobicContact CG2-CG 4.02Å
268E96Very high93.1Very high63 Ų6343.3 Ų43.329%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-64.7121.2166.3-171.2177.5-153.900108Y207 V355 P356Y207-E268 HydrophobicContact CD1-CB 4.13Å; Y207-E268 HydrophobicContact CE1-CB 3.78Å; E268-V355 HydrophobicContact CB-CG1 4.5Å; E268-V355 HydrophobicContact CG-CG1 4.01Å; E268-V355 HydrophobicContact CG-CG2 4.22Å; E268-V355 WeakPolarHBondContact O-CG1 3.29Å; E268-P356 WeakPolarHBondContact O-CD 2.71Å
269L95.3Very high92Very high0 Ų043.7 Ų43.70%023%0.233CC..EExtended strand (participates in β ladder)trans-143.1133.9-166.1-174.273.8000111E205 S206 F208 M210 V221 T267 L271 P356 F358E205-L269 WeakPolarHBondContact CA-O 3.43Å; S206-L269 PolarHBondContact N-O 2.92Å; S206-L269 VanDerWaalsContact N-O 3.14Å; S206-L269 PolarHBondContact O-N 3.45Å; F208-L269 HydrophobicContact CB-CD2 4.22Å; F208-L269 HydrophobicContact CD2-CB 4.2Å; F208-L269 HydrophobicContact CD2-CD2 4.33Å; M210-L269 HydrophobicContact SD-CD1 3.92Å; V221-L269 HydrophobicContact CG2-CD2 3.91Å; T267-L269 PolarHBondContact O-N 3.09Å; L269-L271 PolarHBondContact O-N 2.93Å; L269-P356 HydrophobicContact CD1-CB 4.22Å; L269-P356 HydrophobicContact CD1-CG 4.06Å; L269-P356 WeakPolarHBondContact CD1-O 3.37Å; L269-F358 HydrophobicContact CD1-CB 3.87Å; L269-F358 HydrophobicContact CD2-CB 3.66Å; L269-F358 HydrophobicContact CD2-CG 4.38Å; L269-F358 HydrophobicContact CG-CB 3.98Å
270K96.5Very high90.2Very high59 Ų5949.6 Ų49.626%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-83.198.4164-68.1177.1179.9179.50108.9E205 Y272 V355 P356 E357 F358E205-K270 HydrophobicContact CB-CG 4.32Å; E205-K270 HydrophobicContact CG-CG 3.92Å; E205-K270 WeakPolarHBondContact OE2-CE 3.49Å; K270-Y272 HydrophobicContact CB-CE2 3.91Å; K270-V355 HydrophobicContact CG-CG1 4.03Å; K270-P356 PolarHBondContact N-O 3.38Å; K270-E357 HydrophobicContact CB-CG 4.13Å; K270-E357 HydrophobicContact CD-CG 4.22Å; K270-E357 WeakPolarHBondContact O-CA 3.27Å; K270-F358 PolarHBondContact O-N 2.96Å
271L97.4Very high88.8Confident0 Ų051 Ų510%028%0.28CS..EExtended strand (participates in β ladder)trans-90.7123.6-178.9177.262.7000110F179 H203 N204 F208 V221 I223 L269 F358F179-L271 HydrophobicContact CE1-CD2 3.99Å; F179-L271 HydrophobicContact CE1-CG 4.17Å; F179-L271 HydrophobicContact CZ-CD2 3.83Å; F179-L271 HydrophobicContact CZ-CG 4.42Å; H203-L271 WeakPolarHBondContact CA-O 3.46Å; N204-L271 PolarHBondContact N-O 2.91Å; N204-L271 PolarHBondContact O-N 2.97Å; F208-L271 HydrophobicContact CD1-CD2 4.41Å; F208-L271 HydrophobicContact CD2-CB 4.36Å; F208-L271 HydrophobicContact CD2-CD2 4.45Å; F208-L271 HydrophobicContact CE1-CD2 4.02Å; F208-L271 HydrophobicContact CE2-CB 3.99Å; F208-L271 HydrophobicContact CE2-CD2 4.05Å; F208-L271 HydrophobicContact CZ-CD2 3.83Å; V221-L271 HydrophobicContact CG1-CD1 4.22Å; I223-L271 HydrophobicContact CD1-CD1 4.46Å; I223-L271 HydrophobicContact CD1-CD2 3.71Å; I223-L271 HydrophobicContact CG1-CD2 3.86Å; L269-L271 PolarHBondContact O-N 2.93Å; L271-F358 HydrophobicContact CD1-CB 4.25Å; L271-F358 HydrophobicContact CD1-CD1 3.87Å; L271-F358 HydrophobicContact CD1-CG 4.41Å
272Y97.4Very high87.8Confident22 Ų2256.2 Ų56.29%0.08628%0.284CS..EExtended strand (participates in β ladder)trans-116.7119.8170-56-94.3000110.3H185 L201 M202 H203 K270 E357 F358 R359 V360H185-Y272 AromaticContact CE1-CD1 3.97Å; H185-Y272 AromaticContact CE1-CE1 3.86Å; L201-Y272 HydrophobicContact CD2-CD1 3.94Å; L201-Y272 HydrophobicContact CD2-CG 4.15Å; L201-Y272 HydrophobicContact CG-CD1 4.32Å; M202-Y272 VanDerWaalsContact O-CA 3.25Å; M202-Y272 WeakPolarHBondContact O-CA 3.46Å; H203-Y272 HydrophobicContact CB-CD1 3.72Å; H203-Y272 HydrophobicContact CB-CE1 3.72Å; H203-Y272 AromaticContact CD2-CD1 3.94Å; H203-Y272 AromaticContact CD2-CE1 3.48Å; H203-Y272 VanDerWaalsContact CD2-CE1 3.48Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.21Å; H203-Y272 AromaticContact CD2-CZ 3.62Å; H203-Y272 AromaticContact CG-CD1 3.93Å; H203-Y272 AromaticContact CG-CE1 3.47Å; H203-Y272 VanDerWaalsContact CG-CE1 3.47Å; H203-Y272 AromaticContact NE2-CZ 3.89Å; K270-Y272 HydrophobicContact CB-CE2 3.91Å; Y272-E357 HydrophobicContact CE2-CB 4.47Å; Y272-E357 HydrophobicContact CE2-CG 4.24Å; Y272-F358 PolarHBondContact N-O 3.02Å; Y272-R359 HydrophobicContact CD2-CB 4.16Å; Y272-R359 HydrophobicContact CD2-CG 4.43Å; Y272-R359 HydrophobicContact CG-CG 4.42Å; Y272-V360 WeakPolarHBondContact O-CB 3.3Å; Y272-V360 PolarHBondContact O-N 2.96Å
273L96.3Very high87.5Confident0 Ų055.6 Ų55.60%028%0.281CS..EExtended strand (participates in β ladder)trans-128.1129.6-176.4-172.372.5000109.7F179 M202 I223 L232 V234 V328 V360F179-L273 HydrophobicContact CE1-CB 4.32Å; F179-L273 HydrophobicContact CE2-CD2 4.41Å; F179-L273 HydrophobicContact CZ-CB 4.17Å; F179-L273 HydrophobicContact CZ-CD2 4.15Å; M202-L273 WeakPolarHBondContact CB-O 3.31Å; M202-L273 HydrophobicContact CE-CB 4.21Å; M202-L273 HydrophobicContact CE-CD2 3.97Å; M202-L273 HydrophobicContact CE-CG 4.24Å; M202-L273 PolarHBondContact N-O 3.48Å; M202-L273 PolarHBondContact O-N 2.69Å; I223-L273 HydrophobicContact CD1-CD2 4.12Å; L232-L273 HydrophobicContact CD2-CD2 4.41Å; V234-L273 HydrophobicContact CG2-CD1 4.21Å; L273-V328 HydrophobicContact CD2-CG1 3.67Å; L273-V328 HydrophobicContact CG-CG1 4.25Å; L273-V360 HydrophobicContact CD1-CB 4.28Å; L273-V360 HydrophobicContact CD1-CG1 4.41Å; L273-V360 HydrophobicContact CD1-CG2 4.04Å
274P94.6Very high87.3Confident0 Ų053.4 Ų53.40%026%0.262CS..EExtended strand (participates in β ladder)trans-68.4145.6177.926.6-30.8000109.5F189 V199 L201 F276 V360 F364 P384F189-P274 HydrophobicContact CE2-CG 4.49Å; V199-P274 HydrophobicContact CG2-CB 4.38Å; L201-P274 HydrophobicContact CD1-CB 4.45Å; P274-F276 HydrophobicContact CG-CD1 4.13Å; P274-F276 VanDerWaalsContact O-CD1 3.24Å; P274-F276 WeakPolarHBondContact O-CD1 3.02Å; P274-V360 VanDerWaalsContact CD-O 3.3Å; P274-V360 WeakPolarHBondContact CD-O 3.17Å; P274-V360 HydrophobicContact CG-CG1 4.17Å; P274-F364 HydrophobicContact CG-CE1 4Å; P274-F364 HydrophobicContact CG-CZ 4.01Å; P274-P384 HydrophobicContact CB-CB 4.28Å
275K90.7Very high87.1Confident84 Ų8456.2 Ų56.237%0.36527%0.274SS..  trans-73.7125.4163.6-173.5174.7-169.9152.70108.2K200 M202 V328 D329 E330K200-K275 HydrophobicContact CB-CB 4.3Å; K200-K275 PolarHBondContact O-N 3.49Å; M202-K275 HydrophobicContact CG-CB 4.4Å; M202-K275 HydrophobicContact SD-CB 4.37Å; K275-V328 VanDerWaalsContact CG-O 3.25Å; K275-V328 WeakPolarHBondContact CG-O 3.23Å; K275-D329 HydrophobicContact CD-CB 4.5Å; K275-E330 WeakPolarHBondContact CD-OE2 3.44Å; K275-E330 WeakPolarHBondContact CE-OE2 2.87Å; K275-E330 IonicContact NZ-OE2 2.92Å; K275-E330 PolarHBondContact NZ-OE2 2.86Å
276F88.2Confident87.1Confident7 Ų750 Ų503%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-154.1165178.867.8-91.1000111.7P274 L278 F326 V328 F364 I366 V381 P384P274-F276 HydrophobicContact CG-CD1 4.13Å; P274-F276 VanDerWaalsContact O-CD1 3.24Å; P274-F276 WeakPolarHBondContact O-CD1 3.02Å; F276-L278 HydrophobicContact CD2-CD1 4.3Å; F276-L278 HydrophobicContact CD2-CD2 4.06Å; F276-L278 HydrophobicContact CD2-CG 3.85Å; F276-L278 HydrophobicContact CE2-CD1 3.86Å; F276-L278 HydrophobicContact CE2-CD2 4.42Å; F276-L278 HydrophobicContact CE2-CG 3.9Å; F276-F326 HydrophobicContact CE2-CD1 4.13Å; F276-F326 HydrophobicContact CE2-CE1 4.25Å; F276-F326 HydrophobicContact CZ-CD1 4.46Å; F276-F326 HydrophobicContact CZ-CE1 4.12Å; F276-V328 HydrophobicContact CD1-CB 4.09Å; F276-V328 HydrophobicContact CD1-CG1 4.31Å; F276-V328 HydrophobicContact CD1-CG2 4.38Å; F276-V328 HydrophobicContact CE1-CB 3.89Å; F276-V328 HydrophobicContact CE1-CG1 4.04Å; F276-V328 HydrophobicContact CE1-CG2 3.73Å; F276-V328 HydrophobicContact CE2-CG2 3.98Å; F276-V328 HydrophobicContact CG-CB 4.49Å; F276-V328 HydrophobicContact CZ-CB 4.12Å; F276-V328 HydrophobicContact CZ-CG2 3.51Å; F276-V328 PolarHBondContact N-O 3.22Å; F276-V328 PolarHBondContact O-N 2.93Å; F276-F364 HydrophobicContact CD1-CZ 4.1Å; F276-F364 HydrophobicContact CE1-CE2 4.01Å; F276-F364 AromaticContact CE1-CZ 3.62Å; F276-F364 HydrophobicContact CE1-CZ 3.62Å; F276-F364 HydrophobicContact CZ-CE2 4.14Å; F276-F364 HydrophobicContact CZ-CZ 4.06Å; F276-I366 HydrophobicContact CE2-CD1 4.05Å; F276-I366 HydrophobicContact CZ-CD1 4.07Å; F276-V381 HydrophobicContact CD2-CG2 4.31Å; F276-V381 HydrophobicContact CE2-CG2 3.94Å; F276-V381 HydrophobicContact CZ-CG2 4.21Å; F276-P384 HydrophobicContact CB-CB 3.69Å
277K83.7Confident87.1Confident63 Ų6347.7 Ų47.727%0.27423%0.226SC..EExtended strand (participates in β ladder)trans-145.4113.4-173.3-177.7176.9-177.8-175.80109.2R279 E327K277-R279 HydrophobicContact CD-CG 4.32Å; K277-R279 HydrophobicContact CG-CB 4.23Å; K277-R279 HydrophobicContact CG-CG 3.75Å; K277-R279 VanDerWaalsContact NZ-NH1 3.2Å; K277-R279 PolarHBondContact O-N 2.88Å; K277-E327 HydrophobicContact CB-CG 4.32Å; K277-E327 HydrophobicContact CD-CG 4.38Å; K277-E327 HydrophobicContact CG-CB 4.33Å; K277-E327 HydrophobicContact CG-CG 4.12Å
278L81Confident87.1Confident14 Ų1450.4 Ų50.47%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-93.686.5178.3-55.7178.1000107.3N28 F30 F276 I325 F326 I366 V381N28-L278 HydrophobicContact CB-CD2 4.14Å; F30-L278 HydrophobicContact CB-CB 4.07Å; F30-L278 HydrophobicContact CB-CD1 3.65Å; F30-L278 HydrophobicContact CB-CG 4.44Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.33Å; F30-L278 HydrophobicContact CG-CD1 3.73Å; F276-L278 HydrophobicContact CD2-CD1 4.3Å; F276-L278 HydrophobicContact CD2-CD2 4.06Å; F276-L278 HydrophobicContact CD2-CG 3.85Å; F276-L278 HydrophobicContact CE2-CD1 3.86Å; F276-L278 HydrophobicContact CE2-CD2 4.42Å; F276-L278 HydrophobicContact CE2-CG 3.9Å; L278-I325 WeakPolarHBondContact O-CA 3.05Å; L278-F326 PolarHBondContact N-O 3.5Å; L278-F326 PolarHBondContact O-N 3.46Å; L278-I366 HydrophobicContact CD1-CD1 3.7Å; L278-V381 HydrophobicContact CD1-CG2 4.07Å; L278-V381 HydrophobicContact CD2-CG2 4.26Å
279R66.5Low87Confident51 Ų5148.6 Ų48.619%0.19223%0.231CC..  trans-125.3-45.1-178.3-81.5-153.9-159.2167.89.8115.4K277 G281 K323 I325 E327K277-R279 HydrophobicContact CD-CG 4.32Å; K277-R279 HydrophobicContact CG-CB 4.23Å; K277-R279 HydrophobicContact CG-CG 3.75Å; K277-R279 VanDerWaalsContact NZ-NH1 3.2Å; K277-R279 PolarHBondContact O-N 2.88Å; R279-G281 VanDerWaalsContact C-N 3.3Å; R279-G281 PolarHBondContact O-N 3Å; R279-K323 WeakPolarHBondContact O-CE 3.35Å; R279-I325 HydrophobicContact CG-CB 4.28Å; R279-I325 HydrophobicContact CG-CD1 3.86Å; R279-I325 HydrophobicContact CG-CG1 3.95Å; R279-I325 HydrophobicContact CG-CG2 3.5Å; R279-E327 IonicContact CZ-OE2 2.84Å; R279-E327 IonicContact NE-OE2 3.37Å; R279-E327 IonicContact NH2-OE2 2.87Å; R279-E327 PolarHBondContact NH2-OE2 3.37Å
280E55.2Low87.1Confident126 Ų12648.6 Ų48.659%0.58923%0.231SC*.  trans-93.511.5-161.7-32.6177.7172.500113.5H387E280-H387 WeakPolarHBondContact CA-OXT 3.3Å; E280-H387 VanDerWaalsContact CB-C 3.43Å; E280-H387 WeakPolarHBondContact CB-OXT 3.49Å; E280-H387 WeakPolarHBondContact CG-OXT 3.39Å; E280-H387 PolarHBondContact N-OXT 2.69Å; E280-H387 VanDerWaalsContact N-OXT 3.14Å; E280-H387 WeakPolarHBondContact OE2-CB 3.49Å
281G63.2Low87.1Confident49 Ų4951.5 Ų51.551%0.50524%0.24SC..SBendtrans-56143.316300000112.6R279 K323R279-G281 VanDerWaalsContact C-N 3.3Å; R279-G281 PolarHBondContact O-N 3Å; G281-K323 WeakPolarHBondContact O-CE 3.49Å; G281-K323 PolarHBondContact O-NZ 2.74Å
282R72.2Confident87Confident212 Ų21257.1 Ų57.180%0.827%0.265SS*.PPolyproline II helixtrans-59.9143.8169.8-61.2-179.184.5176.25.7108.7L284R282-L284 PolarHBondContact O-N 3.43Å
283A85.9Confident86.9Confident21 Ų2156.7 Ų56.717%0.17426%0.264CS..PPolyproline II helixtrans-58139.7169.600000109.8L151 K285 M321 H322 K323L151-A283 HydrophobicContact CD1-CB 3.71Å; L151-A283 HydrophobicContact CG-CB 4.4Å; L151-A283 WeakPolarHBondContact O-CB 3.5Å; A283-K285 PolarHBondContact O-N 3.1Å; A283-M321 HydrophobicContact CB-CE 3.92Å; A283-H322 CarbonylContact C-O 3.56Å; A283-K323 HydrophobicContact CB-CB 4.27Å; A283-K323 HydrophobicContact CB-CD 4.25Å
284L89.8Confident87Confident47 Ų4758 Ų5825%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-78.8123.7177.5-61.3178.8000109.4L31 R282 L286 H322L31-L284 HydrophobicContact CB-CD1 4.24Å; L31-L284 HydrophobicContact CD2-CD1 4Å; R282-L284 PolarHBondContact O-N 3.43Å; L284-L286 HydrophobicContact CB-CD2 3.61Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L284-H322 PolarHBondContact N-O 3.46Å; L284-H322 PolarHBondContact O-N 3.31Å
285K92.7Very high87.1Confident95 Ų9558 Ų5841%0.41328%0.278SS..EExtended strand (participates in β ladder)trans-82.5107.3164.6-74.3-169.7171.3-161.90108.5A283 H289 D319 M321A283-K285 PolarHBondContact O-N 3.1Å; K285-H289 PolarHBondContact O-CD2 3.42Å; K285-D319 WeakPolarHBondContact CB-OD2 3.42Å; K285-D319 WeakPolarHBondContact CD-OD2 3.44Å; K285-D319 WeakPolarHBondContact CG-OD2 3.23Å; K285-M321 HydrophobicContact CB-SD 4.5Å; K285-M321 HydrophobicContact CG-CE 3.8Å; K285-M321 HydrophobicContact CG-SD 3.73Å
286L95.3Very high87.5Confident0 Ų056.9 Ų56.90%028%0.275CS..  trans-86-12.8-171.2-55.7-171.9000113.9F14 I36 L284 N288 H289 L290 D319 V320 H322F14-L286 HydrophobicContact CZ-CD1 4.22Å; F14-L286 HydrophobicContact CZ-CD2 3.86Å; I36-L286 HydrophobicContact CB-CD1 4.38Å; I36-L286 HydrophobicContact CD1-CD1 3.78Å; I36-L286 HydrophobicContact CG1-CD1 3.76Å; I36-L286 HydrophobicContact CG2-CD1 3.72Å; L284-L286 HydrophobicContact CB-CD2 3.61Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.45Å; L286-H289 PolarHBondContact O-N 3.22Å; L286-H289 VanDerWaalsContact O-N 3.1Å; L286-L290 HydrophobicContact CB-CD1 3.64Å; L286-L290 HydrophobicContact CB-CG 3.98Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 VanDerWaalsContact O-CG 3.22Å; L286-L290 WeakPolarHBondContact O-CG 3.3Å; L286-L290 PolarHBondContact O-N 3.45Å; L286-D319 PolarHBondContact N-OD1 2.87Å; L286-V320 HydrophobicContact CB-CB 4.11Å; L286-V320 WeakPolarHBondContact CB-O 3.41Å; L286-V320 HydrophobicContact CD1-CG1 4.09Å; L286-V320 WeakPolarHBondContact CG-O 2.98Å; L286-V320 PolarHBondContact N-O 2.93Å; L286-H322 HydrophobicContact CD1-CB 3.81Å; L286-H322 HydrophobicContact CD2-CB 4.41Å; L286-H322 HydrophobicContact CG-CB 4.14Å
287K95.8Very high87.9Confident51 Ų5157.8 Ų57.822%0.22228%0.281CS..Hα-helixtrans-46.4-51.7-179.5169164.4175.8162.80113.2L290 R291 F299 S318 D319K287-L290 PolarHBondContact O-N 2.99Å; K287-R291 WeakPolarHBondContact O-CB 3.39Å; K287-R291 VanDerWaalsContact O-CG 3.27Å; K287-R291 WeakPolarHBondContact O-CG 3.47Å; K287-R291 PolarHBondContact O-N 2.8Å; K287-F299 HydrophobicContact CB-CD1 3.91Å; K287-F299 HydrophobicContact CB-CE1 3.97Å; K287-F299 HydrophobicContact CB-CG 4.45Å; K287-F299 HydrophobicContact CD-CB 3.98Å; K287-F299 HydrophobicContact CD-CD1 3.87Å; K287-F299 HydrophobicContact CD-CG 4.11Å; K287-F299 HydrophobicContact CG-CB 4.09Å; K287-F299 HydrophobicContact CG-CD1 3.71Å; K287-F299 HydrophobicContact CG-CD2 4.42Å; K287-F299 HydrophobicContact CG-CE1 4.25Å; K287-F299 HydrophobicContact CG-CG 3.83Å; K287-F299 PolarHBondContact NZ-O 3.17Å; K287-S318 WeakPolarHBondContact CD-O 3.36Å; K287-D319 VanDerWaalsContact CB-OD1 3.23Å; K287-D319 WeakPolarHBondContact CB-OD1 3.22Å; K287-D319 PolarHBondContact N-OD1 2.83Å
288N95Very high88.6Confident95 Ų9554.9 Ų54.951%0.50827%0.268SS..Hα-helixtrans-69.4-38.7-176.9-70.5-21.8000112.6L286 K292L286-N288 VanDerWaalsContact C-N 3.31Å; L286-N288 PolarHBondContact O-N 3.45Å; N288-K292 PolarHBondContact O-N 2.78Å
289H94.4Very high89.3Confident24 Ų2454.6 Ų54.611%0.11127%0.266CS..Hα-helixtrans-64-44.4175.9-57.9-54000111.4F14 I18 E21 K285 L286 K292 L293F14-H289 HydrophobicContact CE2-CB 4.31Å; I18-H289 HydrophobicContact CD1-CB 4.11Å; I18-H289 VanDerWaalsContact CD1-CG 3.5Å; E21-H289 IonicContact OE1-CE1 3.8Å; E21-H289 IonicContact OE1-CG 3.63Å; E21-H289 IonicContact OE1-ND1 3.28Å; E21-H289 PolarHBondContact OE1-ND1 2.92Å; E21-H289 IonicContact OE2-CE1 3.91Å; E21-H289 PolarHBondContact OE2-CE1 2.95Å; E21-H289 IonicContact OE2-ND1 2.65Å; E21-H289 PolarHBondContact OE2-ND1 3.23Å; K285-H289 PolarHBondContact O-CD2 3.42Å; L286-H289 PolarHBondContact O-N 3.22Å; L286-H289 VanDerWaalsContact O-N 3.1Å; H289-K292 PolarHBondContact O-N 2.81Å; H289-L293 PolarHBondContact O-N 2.81Å
290L97Very high90.7Very high0 Ų054.2 Ų54.20%027%0.271CS..Hα-helixtrans-70.3-35.3-178.8-66.3170.9000112.3F14 L40 L286 K287 K292 L293 G294 I295 F299 V320F14-L290 HydrophobicContact CD2-CD2 4.33Å; F14-L290 HydrophobicContact CE2-CD2 4.05Å; L40-L290 HydrophobicContact CD1-CD2 3.9Å; L40-L290 HydrophobicContact CD2-CD1 3.84Å; L40-L290 HydrophobicContact CD2-CD2 4.07Å; L286-L290 HydrophobicContact CB-CD1 3.64Å; L286-L290 HydrophobicContact CB-CG 3.98Å; L286-L290 WeakPolarHBondContact O-CB 3.36Å; L286-L290 VanDerWaalsContact O-CG 3.22Å; L286-L290 WeakPolarHBondContact O-CG 3.3Å; L286-L290 PolarHBondContact O-N 3.45Å; K287-L290 PolarHBondContact O-N 2.99Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 2.86Å; L290-L293 HydrophobicContact CD2-CD1 4.34Å; L290-L293 CarbonylContact O-C 3.57Å; L290-L293 WeakPolarHBondContact O-CA 3.41Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 2.91Å; L290-L293 VanDerWaalsContact O-N 3.08Å; L290-G294 PolarHBondContact O-N 3.25Å; L290-I295 HydrophobicContact CB-CB 4.43Å; L290-I295 HydrophobicContact CB-CD1 4.2Å; L290-I295 HydrophobicContact CD2-CD1 4.12Å; L290-I295 PolarHBondContact O-N 2.73Å; L290-F299 HydrophobicContact CB-CE2 3.76Å; L290-F299 HydrophobicContact CB-CZ 3.91Å; L290-F299 HydrophobicContact CD1-CE2 4.37Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.46Å; L290-V320 HydrophobicContact CD1-CB 4.19Å; L290-V320 HydrophobicContact CD1-CG2 4.01Å
291R97.2Very high92.5Very high120 Ų12051.6 Ų51.645%0.45327%0.265SS..Hα-helixtrans-58.9-40.9171.2-77.3-176.870-166.24.4112.8K287 L293 G294 I295 N296 F299K287-R291 WeakPolarHBondContact O-CB 3.39Å; K287-R291 VanDerWaalsContact O-CG 3.27Å; K287-R291 WeakPolarHBondContact O-CG 3.47Å; K287-R291 PolarHBondContact O-N 2.8Å; R291-L293 PolarHBondContact O-N 2.85Å; R291-G294 WeakPolarHBondContact O-CA 3.35Å; R291-G294 PolarHBondContact O-N 3.07Å; R291-I295 VanDerWaalsContact CA-O 3.23Å; R291-I295 WeakPolarHBondContact CA-O 3.18Å; R291-I295 VanDerWaalsContact CG-O 3.28Å; R291-I295 WeakPolarHBondContact CG-O 3.24Å; R291-N296 PolarHBondContact NE-OD1 3.34Å; R291-F299 HydrophobicContact CG-CD2 3.9Å
292K95.8Very high94Very high118 Ų11857.4 Ų57.451%0.51328%0.284SS..Hα-helixtrans-69.4-23.2176.3-68.8176.9-174.4166.80113Q17 E21 N288 H289 L290 G294Q17-K292 HydrophobicContact CG-CB 4.18Å; E21-K292 VanDerWaalsContact OE1-CD 3.3Å; E21-K292 WeakPolarHBondContact OE1-CD 3.21Å; E21-K292 IonicContact OE1-NZ 2.79Å; E21-K292 PolarHBondContact OE1-NZ 2.87Å; E21-K292 IonicContact OE2-NZ 2.81Å; E21-K292 PolarHBondContact OE2-NZ 3.36Å; N288-K292 PolarHBondContact O-N 2.78Å; H289-K292 PolarHBondContact O-N 2.81Å; L290-K292 VanDerWaalsContact C-N 3.31Å; L290-K292 PolarHBondContact O-N 2.86Å; K292-G294 PolarHBondContact O-N 2.86Å
293L95.6Very high95.1Very high13 Ų1350 Ų507%0.06826%0.264CS..THydrogen-bonded Turntrans-79.6-5.1169.5-64.1171.9000113.5F10 R13 F14 Q17 A58 H289 L290 R291F10-L293 HydrophobicContact CE2-CD1 4.25Å; R13-L293 HydrophobicContact CB-CD2 4.49Å; F14-L293 HydrophobicContact CB-CD1 4.21Å; F14-L293 HydrophobicContact CD2-CD1 3.51Å; F14-L293 HydrophobicContact CE2-CD1 4.36Å; F14-L293 HydrophobicContact CG-CD1 4.33Å; Q17-L293 HydrophobicContact CB-CD2 4.05Å; Q17-L293 HydrophobicContact CB-CG 4.43Å; Q17-L293 HydrophobicContact CG-CD2 4.33Å; Q17-L293 HydrophobicContact CG-CG 4.29Å; A58-L293 HydrophobicContact CB-CB 4.4Å; H289-L293 PolarHBondContact O-N 2.81Å; L290-L293 HydrophobicContact CD2-CD1 4.34Å; L290-L293 CarbonylContact O-C 3.57Å; L290-L293 WeakPolarHBondContact O-CA 3.41Å; L290-L293 WeakPolarHBondContact O-CB 3.5Å; L290-L293 PolarHBondContact O-N 2.91Å; L290-L293 VanDerWaalsContact O-N 3.08Å; R291-L293 PolarHBondContact O-N 2.85Å
294G97Very high95.6Very high28 Ų2850 Ų5029%0.28926%0.264SS..THydrogen-bonded Turntrans106.34.9175.200000115E54 L290 R291 K292 N296E54-G294 WeakPolarHBondContact CB-O 3.33Å; E54-G294 WeakPolarHBondContact CG-O 3.38Å; L290-G294 PolarHBondContact O-N 3.25Å; R291-G294 WeakPolarHBondContact O-CA 3.35Å; R291-G294 PolarHBondContact O-N 3.07Å; K292-G294 PolarHBondContact O-N 2.86Å; G294-N296 PolarHBondContact O-N 3.14Å
295I97.6Very high95.9Very high1 Ų149.4 Ų49.41%0.00526%0.261CS..  trans-89.791.6176.1-53.6168.9000108.3L40 M55 A58 L290 R291 A298 F299L40-I295 HydrophobicContact CD1-CD1 4.43Å; L40-I295 HydrophobicContact CD2-CD1 4.23Å; M55-I295 HydrophobicContact SD-CB 4.48Å; M55-I295 HydrophobicContact SD-CD1 3.75Å; M55-I295 HydrophobicContact SD-CG1 4.06Å; M55-I295 HydrophobicContact SD-CG2 3.59Å; M55-I295 VanDerWaalsContact SD-CG2 3.59Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.35Å; L290-I295 HydrophobicContact CB-CB 4.43Å; L290-I295 HydrophobicContact CB-CD1 4.2Å; L290-I295 HydrophobicContact CD2-CD1 4.12Å; L290-I295 PolarHBondContact O-N 2.73Å; R291-I295 VanDerWaalsContact CA-O 3.23Å; R291-I295 WeakPolarHBondContact CA-O 3.18Å; R291-I295 VanDerWaalsContact CG-O 3.28Å; R291-I295 WeakPolarHBondContact CG-O 3.24Å; I295-A298 HydrophobicContact CG2-CB 3.63Å; I295-F299 HydrophobicContact CB-CE2 4.08Å; I295-F299 HydrophobicContact CG2-CD2 4.15Å; I295-F299 HydrophobicContact CG2-CE2 3.63Å; I295-F299 WeakPolarHBondContact O-CD2 3.2Å; I295-F299 WeakPolarHBondContact O-CE2 3.33Å
296N97.8Very high96.1Very high59 Ų5945.2 Ų45.232%0.31624%0.243SC..  trans-105-48.6-177.4-67.4-70.4000112.3E54 R291 G294 A298 F299 C300E54-N296 PolarHBondContact OE2-N 2.82Å; R291-N296 PolarHBondContact NE-OD1 3.34Å; G294-N296 PolarHBondContact O-N 3.14Å; N296-A298 VanDerWaalsContact C-N 3.32Å; N296-A298 PolarHBondContact O-N 3.08Å; N296-F299 PolarHBondContact O-N 2.76Å; N296-F299 VanDerWaalsContact O-N 3.09Å; N296-C300 PolarHBondContact O-N 3.2Å
297D97.6Very high96.1Very high27 Ų2747.4 Ų47.414%0.14426%0.258CS..G310 helixtrans-63.9-40.1-171.5-77.5-3000111.3N50 T51 E54 F299 C300 S303 A304N50-D297 PolarHBondContact ND2-OD2 3.22Å; T51-D297 WeakPolarHBondContact OG1-CB 3.27Å; E54-D297 PolarHBondContact OE2-N 2.92Å; D297-F299 PolarHBondContact O-N 3.21Å; D297-C300 PolarHBondContact O-N 3.37Å; D297-S303 WeakPolarHBondContact OD1-CB 3.25Å; D297-A304 WeakPolarHBondContact O-CA 3.42Å; D297-A304 WeakPolarHBondContact O-CB 3.28Å; D297-A304 PolarHBondContact O-N 2.98Å
298A97.5Very high96Very high1 Ų148 Ų481%0.00826%0.264CS..G310 helixtrans-52.7-27.6176.700000113.7T51 I295 N296 F306 I317T51-A298 HydrophobicContact CG2-CB 3.91Å; I295-A298 HydrophobicContact CG2-CB 3.63Å; N296-A298 VanDerWaalsContact C-N 3.32Å; N296-A298 PolarHBondContact O-N 3.08Å; A298-F306 HydrophobicContact CB-CE2 4.33Å; A298-F306 HydrophobicContact CB-CZ 3.85Å; A298-I317 WeakPolarHBondContact O-CB 3.38Å; A298-I317 PolarHBondContact O-N 3.2Å
299F97.3Very high96.1Very high9 Ų943.6 Ų43.64%0.03924%0.24CC..G310 helixtrans-105.55.8-178.5-55.2-77.7000114.3K287 L290 R291 I295 N296 D297 I317 V320K287-F299 HydrophobicContact CB-CD1 3.91Å; K287-F299 HydrophobicContact CB-CE1 3.97Å; K287-F299 HydrophobicContact CB-CG 4.45Å; K287-F299 HydrophobicContact CD-CB 3.98Å; K287-F299 HydrophobicContact CD-CD1 3.87Å; K287-F299 HydrophobicContact CD-CG 4.11Å; K287-F299 HydrophobicContact CG-CB 4.09Å; K287-F299 HydrophobicContact CG-CD1 3.71Å; K287-F299 HydrophobicContact CG-CD2 4.42Å; K287-F299 HydrophobicContact CG-CE1 4.25Å; K287-F299 HydrophobicContact CG-CG 3.83Å; K287-F299 PolarHBondContact NZ-O 3.17Å; L290-F299 HydrophobicContact CB-CE2 3.76Å; L290-F299 HydrophobicContact CB-CZ 3.91Å; L290-F299 HydrophobicContact CD1-CE2 4.37Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.46Å; R291-F299 HydrophobicContact CG-CD2 3.9Å; I295-F299 HydrophobicContact CB-CE2 4.08Å; I295-F299 HydrophobicContact CG2-CD2 4.15Å; I295-F299 HydrophobicContact CG2-CE2 3.63Å; I295-F299 WeakPolarHBondContact O-CD2 3.2Å; I295-F299 WeakPolarHBondContact O-CE2 3.33Å; N296-F299 PolarHBondContact O-N 2.76Å; N296-F299 VanDerWaalsContact O-N 3.09Å; D297-F299 PolarHBondContact O-N 3.21Å; F299-I317 WeakPolarHBondContact CA-O 3.43Å; F299-I317 HydrophobicContact CD1-CB 4.18Å; F299-I317 HydrophobicContact CD1-CG2 4.12Å; F299-I317 VanDerWaalsContact CD1-O 3.26Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.21Å; F299-I317 HydrophobicContact CE1-CG2 3.78Å; F299-V320 HydrophobicContact CE1-CG2 4.18Å; F299-V320 HydrophobicContact CZ-CG2 4.32Å
300C95.4Very high96Very high42 Ų4242.7 Ų42.728%0.28424%0.236SC..  trans-110117.4-176.7-175.50000110.3N296 D297 L302 S303 A304N296-C300 PolarHBondContact O-N 3.2Å; D297-C300 PolarHBondContact O-N 3.37Å; C300-L302 PolarHBondContact O-N 2.92Å; C300-S303 PolarHBondContact O-N 3.4Å; C300-A304 WeakPolarHBondContact O-CB 3.29Å; C300-A304 PolarHBondContact O-N 3.36Å
301P93.1Very high95.7Very high72 Ų7248.7 Ų48.747%0.46827%0.269SS..THydrogen-bonded Turntrans-57.8-26-178.8-23.731.4000115.2F316P301-F316 HydrophobicContact CB-CD1 3.84Å; P301-F316 HydrophobicContact CB-CE1 3.89Å; P301-F316 HydrophobicContact CB-CG 4.34Å; P301-F316 HydrophobicContact CB-CZ 4.42Å; P301-F316 HydrophobicContact CG-CD1 3.92Å; P301-F316 HydrophobicContact CG-CD2 4.17Å; P301-F316 HydrophobicContact CG-CE1 3.7Å; P301-F316 HydrophobicContact CG-CE2 3.96Å; P301-F316 HydrophobicContact CG-CG 4.16Å; P301-F316 HydrophobicContact CG-CZ 3.72Å
302L93.3Very high95Very high171 Ų17145.3 Ų45.390%0.89526%0.264SS*.THydrogen-bonded Turntrans-93.2-18.4-176.7-63.6176.1000113.8C300C300-L302 PolarHBondContact O-N 2.92Å
303S95.2Very high94Very high57 Ų5747.2 Ų47.240%0.39928%0.279SS..THydrogen-bonded Turntrans-117.6-18.1-173.7-46.30000113.2D297 C300 D305D297-S303 WeakPolarHBondContact OD1-CB 3.25Å; C300-S303 PolarHBondContact O-N 3.4Å; S303-D305 PolarHBondContact O-N 2.74Å
304A96.8Very high93.1Very high19 Ų1956.5 Ų56.516%0.15731%0.313CS..  trans-60.6124.5-179.100000110.9D297 C300 F306 F316D297-A304 WeakPolarHBondContact O-CA 3.42Å; D297-A304 WeakPolarHBondContact O-CB 3.28Å; D297-A304 PolarHBondContact O-N 2.98Å; C300-A304 WeakPolarHBondContact O-CB 3.29Å; C300-A304 PolarHBondContact O-N 3.36Å; A304-F306 HydrophobicContact CB-CD2 3.95Å; A304-F306 HydrophobicContact CB-CE2 3.89Å; A304-F316 HydrophobicContact CB-CB 3.53Å
305D96.3Very high92.8Very high35 Ų3555.4 Ų55.419%0.18730%0.301CS..  trans-112.799.1172.1-170.8-18.7000109.8S47 E48 N49 T51 S303 S307S47-D305 WeakPolarHBondContact CA-O 3.37Å; E48-D305 PolarHBondContact N-O 2.92Å; E48-D305 VanDerWaalsContact N-O 3.07Å; N49-D305 PolarHBondContact ND2-OD2 3.19Å; T51-D305 PolarHBondContact OG1-N 3.38Å; S303-D305 PolarHBondContact O-N 2.74Å; D305-S307 WeakPolarHBondContact OD1-CB 3.4Å; D305-S307 PolarHBondContact OD1-N 2.86Å; D305-S307 PolarHBondContact OD1-OG 2.85Å
306F96.7Very high92.8Very high8 Ų856.5 Ų56.54%0.03531%0.306CS..  trans-114.336.5172.9-69.3-70.5000111.8V43 G46 T51 A298 A304 N308 V309 S310 M315 I317V43-F306 HydrophobicContact CG1-CE1 3.69Å; V43-F306 HydrophobicContact CG1-CZ 3.84Å; G46-F306 CarbonylContact O-C 3.6Å; G46-F306 VanDerWaalsContact O-CA 3.3Å; G46-F306 WeakPolarHBondContact O-CA 3.4Å; T51-F306 HydrophobicContact CG2-CE1 4.37Å; T51-F306 HydrophobicContact CG2-CZ 4.05Å; A298-F306 HydrophobicContact CB-CE2 4.33Å; A298-F306 HydrophobicContact CB-CZ 3.85Å; A304-F306 HydrophobicContact CB-CD2 3.95Å; A304-F306 HydrophobicContact CB-CE2 3.89Å; F306-N308 PolarHBondContact O-N 2.89Å; F306-N308 VanDerWaalsContact O-N 3.14Å; F306-V309 HydrophobicContact CB-CB 4.2Å; F306-V309 HydrophobicContact CB-CG2 3.93Å; F306-V309 HydrophobicContact CD1-CG2 4.06Å; F306-V309 HydrophobicContact CG-CG2 4.4Å; F306-V309 WeakPolarHBondContact O-CA 3.3Å; F306-V309 WeakPolarHBondContact O-CB 3.24Å; F306-V309 PolarHBondContact O-N 2.83Å; F306-S310 PolarHBondContact O-N 3.01Å; F306-S310 VanDerWaalsContact O-N 3.12Å; F306-M315 HydrophobicContact CB-CB 4.44Å; F306-M315 HydrophobicContact CB-CG 4.21Å; F306-M315 HydrophobicContact CB-SD 4.36Å; F306-M315 WeakPolarHBondContact CD2-O 3.49Å; F306-I317 HydrophobicContact CE1-CG1 4.29Å; F306-I317 HydrophobicContact CE2-CD1 4.48Å; F306-I317 HydrophobicContact CE2-CG1 3.89Å; F306-I317 HydrophobicContact CZ-CD1 4.23Å; F306-I317 HydrophobicContact CZ-CG1 3.57Å
307S95.4Very high92.7Very high46 Ų4653.9 Ų53.932%0.32229%0.292SS..THydrogen-bonded Turntrans-57.6-25.3178.952.60000113.4K105 D305 V309 S310K105-S307 WeakPolarHBondContact CE-O 3.4Å; K105-S307 PolarHBondContact NZ-O 2.92Å; D305-S307 WeakPolarHBondContact OD1-CB 3.4Å; D305-S307 PolarHBondContact OD1-N 2.86Å; D305-S307 PolarHBondContact OD1-OG 2.85Å; S307-V309 VanDerWaalsContact C-N 3.31Å; S307-S310 WeakPolarHBondContact CA-O 3.01Å
308N94.7Very high92.7Very high63 Ų6353.5 Ų53.534%0.33729%0.291SS..THydrogen-bonded Turntrans-74.5-19.8172.5-69.5-39000113.1G46 S47 E48 F108 F306G46-N308 WeakPolarHBondContact O-CB 3.29Å; S47-N308 PolarHBondContact O-ND2 3.01Å; E48-N308 PolarHBondContact OE2-ND2 3.25Å; F108-N308 WeakPolarHBondContact CB-O 3.25Å; F306-N308 PolarHBondContact O-N 2.89Å; F306-N308 VanDerWaalsContact O-N 3.14Å
309V95.9Very high92.6Very high2 Ų254.5 Ų54.51%0.01230%0.296CS..THydrogen-bonded Turntrans-87.7-47.7176-1710000111.9G46 I104 K105 F108 F306 S307 M315G46-V309 VanDerWaalsContact CA-CG2 3.4Å; I104-V309 CarbonylContact C-O 3.22Å; I104-V309 WeakPolarHBondContact CA-O 3.49Å; I104-V309 HydrophobicContact CG1-CG1 4.47Å; I104-V309 HydrophobicContact CG2-CG1 4.14Å; K105-V309 PolarHBondContact N-O 2.93Å; F108-V309 HydrophobicContact CD1-CB 4.33Å; F108-V309 HydrophobicContact CD1-CG1 3.72Å; F108-V309 HydrophobicContact CD1-CG2 4.29Å; F108-V309 HydrophobicContact CD2-CG2 3.96Å; F108-V309 HydrophobicContact CE1-CB 4.36Å; F108-V309 HydrophobicContact CE1-CG1 3.66Å; F108-V309 HydrophobicContact CE1-CG2 4.01Å; F108-V309 HydrophobicContact CE2-CG2 3.69Å; F108-V309 HydrophobicContact CG-CB 4.41Å; F108-V309 HydrophobicContact CG-CG1 4.27Å; F108-V309 HydrophobicContact CG-CG2 4.24Å; F108-V309 HydrophobicContact CZ-CG1 4.21Å; F108-V309 HydrophobicContact CZ-CG2 3.69Å; F306-V309 HydrophobicContact CB-CB 4.2Å; F306-V309 HydrophobicContact CB-CG2 3.93Å; F306-V309 HydrophobicContact CD1-CG2 4.06Å; F306-V309 HydrophobicContact CG-CG2 4.4Å; F306-V309 WeakPolarHBondContact O-CA 3.3Å; F306-V309 WeakPolarHBondContact O-CB 3.24Å; F306-V309 PolarHBondContact O-N 2.83Å; S307-V309 VanDerWaalsContact C-N 3.31Å; V309-M315 HydrophobicContact CB-CE 4.12Å; V309-M315 HydrophobicContact CB-SD 3.77Å; V309-M315 HydrophobicContact CG1-CE 3.5Å; V309-M315 VanDerWaalsContact CG1-CE 3.5Å; V309-M315 HydrophobicContact CG1-SD 3.47Å; V309-M315 WeakPolarHBondContact CG1-SD 3.39Å; V309-M315 HydrophobicContact CG2-CE 4.39Å
310S93.7Very high92.6Very high5 Ų554.1 Ų54.14%0.03530%0.295CS..  trans-151.9152.2-174.2-169.40000110.6V102 R103 F306 S307 S312V102-S310 WeakPolarHBondContact CG1-OG 3.47Å; R103-S310 VanDerWaalsContact O-CB 3.28Å; R103-S310 WeakPolarHBondContact O-CB 3.45Å; R103-S310 PolarHBondContact O-OG 2.93Å; F306-S310 PolarHBondContact O-N 3.01Å; F306-S310 VanDerWaalsContact O-N 3.12Å; S307-S310 WeakPolarHBondContact CA-O 3.01Å; S310-S312 PolarHBondContact O-N 2.82Å; S310-S312 PolarHBondContact OG-N 2.78Å
311D90.4Very high92.7Very high127 Ų12752.4 Ų52.468%0.67928%0.282SS*.SBendtrans-80.26.9169.1-55.9-53.6000112.3K105K105-D311 VanDerWaalsContact CE-CG 3.42Å; K105-D311 WeakPolarHBondContact CE-OD1 3.33Å; K105-D311 WeakPolarHBondContact CE-OD2 3.49Å; K105-D311 IonicContact NZ-OD1 2.74Å; K105-D311 PolarHBondContact NZ-OD1 2.77Å
312S81.9Confident92.8Very high49 Ų4949 Ų4934%0.34326%0.26SS..  trans-80119.9176.6-179.40000111.1S310 R314 M315S310-S312 PolarHBondContact O-N 2.82Å; S310-S312 PolarHBondContact OG-N 2.78Å; S312-R314 PolarHBondContact O-N 2.94Å; S312-M315 PolarHBondContact O-N 3.22Å
313D75.6Confident92.8Very high158 Ų15842.4 Ų42.485%0.84522%0.224SC*.THydrogen-bonded Turntrans-65.2-3.4178.5-59.6-30.4000114.6
314R77.1Confident92.6Very high207 Ų20740.1 Ų40.178%0.78121%0.209SC*.THydrogen-bonded Turntrans-112.610.9-173.8-58.8-173.7-170.8178.62.8114S162 S312S162-R314 PolarHBondContact OG-O 2.91Å; S312-R314 PolarHBondContact O-N 2.94Å
315M90.7Very high92.2Very high6 Ų639.2 Ų39.23%0.0320%0.202CC..  trans-83126.6-178.9-174.6167.4178.500111.4L96 V98 V102 A163 F306 V309 S312L96-M315 HydrophobicContact CD2-CE 4.48Å; V98-M315 HydrophobicContact CG1-CE 4.14Å; V98-M315 HydrophobicContact CG1-SD 4.49Å; V98-M315 HydrophobicContact CG2-CE 4.21Å; V102-M315 HydrophobicContact CG1-SD 3.92Å; A163-M315 HydrophobicContact CB-CE 4Å; F306-M315 HydrophobicContact CB-CB 4.44Å; F306-M315 HydrophobicContact CB-CG 4.21Å; F306-M315 HydrophobicContact CB-SD 4.36Å; F306-M315 WeakPolarHBondContact CD2-O 3.49Å; V309-M315 HydrophobicContact CB-CE 4.12Å; V309-M315 HydrophobicContact CB-SD 3.77Å; V309-M315 HydrophobicContact CG1-CE 3.5Å; V309-M315 VanDerWaalsContact CG1-CE 3.5Å; V309-M315 HydrophobicContact CG1-SD 3.47Å; V309-M315 WeakPolarHBondContact CG1-SD 3.39Å; V309-M315 HydrophobicContact CG2-CE 4.39Å; S312-M315 PolarHBondContact O-N 3.22Å
316F95.7Very high91.8Very high24 Ų2437.6 Ų37.611%0.10519%0.193CC..  trans-146.9160171.867.5-80.9000110.2D160 S162 A163 P301 A304 S318D160-F316 VanDerWaalsContact O-CZ 3.26Å; D160-F316 WeakPolarHBondContact O-CZ 3.36Å; S162-F316 VanDerWaalsContact CB-CE1 3.48Å; S162-F316 WeakPolarHBondContact CB-O 3.43Å; S162-F316 PolarHBondContact OG-N 3.37Å; S162-F316 PolarHBondContact OG-O 3.42Å; A163-F316 PolarHBondContact N-O 2.83Å; P301-F316 HydrophobicContact CB-CD1 3.84Å; P301-F316 HydrophobicContact CB-CE1 3.89Å; P301-F316 HydrophobicContact CB-CG 4.34Å; P301-F316 HydrophobicContact CB-CZ 4.42Å; P301-F316 HydrophobicContact CG-CD1 3.92Å; P301-F316 HydrophobicContact CG-CD2 4.17Å; P301-F316 HydrophobicContact CG-CE1 3.7Å; P301-F316 HydrophobicContact CG-CE2 3.96Å; P301-F316 HydrophobicContact CG-CG 4.16Å; P301-F316 HydrophobicContact CG-CZ 3.72Å; A304-F316 HydrophobicContact CB-CB 3.53Å; F316-S318 PolarHBondContact O-N 3.3Å
317I97.3Very high91.2Very high4 Ų439.5 Ų39.52%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-80.8118.1173.1-56-54.8000108.3V43 L96 A163 V165 A298 F299 F306 D319 V320V43-I317 HydrophobicContact CG1-CG1 4.16Å; V43-I317 HydrophobicContact CG2-CD1 4.46Å; V43-I317 HydrophobicContact CG2-CG1 4.32Å; L96-I317 HydrophobicContact CD1-CD1 4.29Å; A163-I317 HydrophobicContact CB-CD1 4.03Å; V165-I317 HydrophobicContact CG2-CD1 4.06Å; V165-I317 HydrophobicContact CG2-CG2 4.14Å; A298-I317 WeakPolarHBondContact O-CB 3.38Å; A298-I317 PolarHBondContact O-N 3.2Å; F299-I317 WeakPolarHBondContact CA-O 3.43Å; F299-I317 HydrophobicContact CD1-CB 4.18Å; F299-I317 HydrophobicContact CD1-CG2 4.12Å; F299-I317 VanDerWaalsContact CD1-O 3.26Å; F299-I317 WeakPolarHBondContact CD1-O 3.48Å; F299-I317 HydrophobicContact CE1-CB 4.21Å; F299-I317 HydrophobicContact CE1-CG2 3.78Å; F306-I317 HydrophobicContact CE1-CG1 4.29Å; F306-I317 HydrophobicContact CE2-CD1 4.48Å; F306-I317 HydrophobicContact CE2-CG1 3.89Å; F306-I317 HydrophobicContact CZ-CD1 4.23Å; F306-I317 HydrophobicContact CZ-CG1 3.57Å; I317-D319 WeakPolarHBondContact CG2-O 3.36Å; I317-V320 HydrophobicContact CG2-CG2 4.04Å
318S96.5Very high90.7Very high19 Ų1937.4 Ų37.413%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-75.8-42177.8-56.60000111.5T161 S162 A163 K287 F316T161-S318 WeakPolarHBondContact CA-OG 3.24Å; S162-S318 PolarHBondContact N-OG 2.93Å; A163-S318 WeakPolarHBondContact O-CB 3.28Å; A163-S318 PolarHBondContact O-N 2.64Å; K287-S318 WeakPolarHBondContact CD-O 3.36Å; F316-S318 PolarHBondContact O-N 3.3Å
319D96.5Very high90.3Very high21 Ų2135.8 Ų35.811%0.11218%0.179CC..EExtended strand (participates in β ladder)trans-161.1163171-142.6-33.8000111.4V165 K285 L286 K287 I317 M321V165-D319 PolarHBondContact N-O 2.8Å; V165-D319 VanDerWaalsContact N-O 3.13Å; K285-D319 WeakPolarHBondContact CB-OD2 3.42Å; K285-D319 WeakPolarHBondContact CD-OD2 3.44Å; K285-D319 WeakPolarHBondContact CG-OD2 3.23Å; L286-D319 PolarHBondContact N-OD1 2.87Å; K287-D319 VanDerWaalsContact CB-OD1 3.23Å; K287-D319 WeakPolarHBondContact CB-OD1 3.22Å; K287-D319 PolarHBondContact N-OD1 2.83Å; I317-D319 WeakPolarHBondContact CG2-O 3.36Å; D319-M321 HydrophobicContact CB-SD 4.18Å
320V97.3Very high89.6Confident1 Ų136.5 Ų36.51%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-114116.7166.6-178.60000107.3V165 L286 L290 F299 I317V165-V320 HydrophobicContact CB-CB 4.35Å; V165-V320 HydrophobicContact CB-CG1 4.12Å; V165-V320 HydrophobicContact CB-CG2 4.03Å; V165-V320 HydrophobicContact CG1-CG1 4.24Å; V165-V320 HydrophobicContact CG2-CG2 4.28Å; V165-V320 CarbonylContact O-C 3.57Å; V165-V320 WeakPolarHBondContact O-CA 3.37Å; L286-V320 HydrophobicContact CB-CB 4.11Å; L286-V320 WeakPolarHBondContact CB-O 3.41Å; L286-V320 HydrophobicContact CD1-CG1 4.09Å; L286-V320 WeakPolarHBondContact CG-O 2.98Å; L286-V320 PolarHBondContact N-O 2.93Å; L290-V320 HydrophobicContact CD1-CB 4.19Å; L290-V320 HydrophobicContact CD1-CG2 4.01Å; F299-V320 HydrophobicContact CE1-CG2 4.18Å; F299-V320 HydrophobicContact CZ-CG2 4.32Å; I317-V320 HydrophobicContact CG2-CG2 4.04Å
321M96.2Very high88.5Confident6 Ų641.2 Ų41.23%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-100120.3-175-61.1-58.4-5800110.3L151 L152 V164 V165 A167 A283 K285 D319L151-M321 HydrophobicContact CD1-CB 4.23Å; L151-M321 HydrophobicContact CD2-CB 3.86Å; L151-M321 HydrophobicContact CG-CB 4.01Å; L152-M321 HydrophobicContact CD2-CE 3.84Å; L152-M321 HydrophobicContact CD2-CG 3.62Å; L152-M321 HydrophobicContact CD2-SD 4.02Å; V164-M321 HydrophobicContact CG1-CG 3.87Å; V165-M321 PolarHBondContact O-N 3Å; A167-M321 PolarHBondContact N-O 3.23Å; A283-M321 HydrophobicContact CB-CE 3.92Å; K285-M321 HydrophobicContact CB-SD 4.5Å; K285-M321 HydrophobicContact CG-CE 3.8Å; K285-M321 HydrophobicContact CG-SD 3.73Å; D319-M321 HydrophobicContact CB-SD 4.18Å
322H95.3Very high86.9Confident1 Ų135.9 Ų35.91%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-120135.4179.2-179.662.9000112.1L31 S32 I36 A167 A283 L284 L286L31-H322 VanDerWaalsContact CA-NE2 3.35Å; L31-H322 WeakPolarHBondContact CA-NE2 3.49Å; L31-H322 WeakPolarHBondContact CB-NE2 3.47Å; S32-H322 PolarHBondContact N-CE1 3.06Å; S32-H322 PolarHBondContact N-NE2 3.29Å; I36-H322 HydrophobicContact CD1-CB 4.31Å; I36-H322 HydrophobicContact CG1-CB 4.15Å; A167-H322 WeakPolarHBondContact O-CA 3.34Å; A167-H322 PolarHBondContact O-ND1 3.02Å; A283-H322 CarbonylContact C-O 3.56Å; L284-H322 PolarHBondContact N-O 3.46Å; L284-H322 PolarHBondContact O-N 3.31Å; L286-H322 HydrophobicContact CD1-CB 3.81Å; L286-H322 HydrophobicContact CD2-CB 4.41Å; L286-H322 HydrophobicContact CG-CB 4.14Å
323K93Very high84.3Confident32 Ų3237 Ų3714%0.13919%0.189CC..EExtended strand (participates in β ladder)trans-146129.5168.8-174.3155174.6163.10109.8I148 L151 A167 T168 T169 R279 G281 A283I148-K323 HydrophobicContact CD1-CB 4.1Å; I148-K323 HydrophobicContact CD1-CG 3.99Å; I148-K323 WeakPolarHBondContact CD1-O 3.46Å; I148-K323 HydrophobicContact CG1-CG 4.37Å; I148-K323 HydrophobicContact CG2-CD 3.91Å; I148-K323 HydrophobicContact CG2-CG 4.27Å; L151-K323 HydrophobicContact CD1-CB 3.63Å; A167-K323 PolarHBondContact O-N 2.84Å; T168-K323 WeakPolarHBondContact CA-O 3.45Å; T169-K323 PolarHBondContact N-O 3.4Å; R279-K323 WeakPolarHBondContact O-CE 3.35Å; G281-K323 WeakPolarHBondContact O-CE 3.49Å; G281-K323 PolarHBondContact O-NZ 2.74Å; A283-K323 HydrophobicContact CB-CB 4.27Å; A283-K323 HydrophobicContact CB-CD 4.25Å
324A91.7Very high82.1Confident9 Ų935.5 Ų35.57%0.07419%0.185CC..EExtended strand (participates in β ladder)trans-118.1141.6177.400000110.4F30 T169 F377F30-A324 HydrophobicContact CD1-CB 3.71Å; F30-A324 HydrophobicContact CE1-CB 3.98Å; T169-A324 WeakPolarHBondContact O-CA 3.44Å; T169-A324 WeakPolarHBondContact OG1-CA 3.31Å; T169-A324 VanDerWaalsContact OG1-CB 3.26Å; T169-A324 WeakPolarHBondContact OG1-CB 3.34Å; A324-F377 HydrophobicContact CB-CD1 4.14Å; A324-F377 HydrophobicContact CB-CE1 4.15Å
325I88.6Confident79.9Confident1 Ų130 Ų301%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-121.2133.6174.2-68.9-178.5000110Q147 I148 T169 Y170 F171 L278 R279Q147-I325 VanDerWaalsContact C-CD1 3.41Å; Q147-I325 HydrophobicContact CB-CD1 3.88Å; Q147-I325 WeakPolarHBondContact O-CD1 3.37Å; I148-I325 HydrophobicContact CB-CD1 4.38Å; I148-I325 HydrophobicContact CD1-CD1 4.22Å; I148-I325 HydrophobicContact CD1-CG1 4.26Å; I148-I325 HydrophobicContact CG1-CD1 3.3Å; I148-I325 HydrophobicContact CG1-CG1 3.85Å; T169-I325 PolarHBondContact O-N 3.14Å; Y170-I325 HydrophobicContact CD2-CB 4.04Å; Y170-I325 HydrophobicContact CD2-CG2 3.77Å; Y170-I325 HydrophobicContact CE2-CG2 4.12Å; F171-I325 PolarHBondContact N-O 2.77Å; L278-I325 WeakPolarHBondContact O-CA 3.05Å; R279-I325 HydrophobicContact CG-CB 4.28Å; R279-I325 HydrophobicContact CG-CD1 3.86Å; R279-I325 HydrophobicContact CG-CG1 3.95Å; R279-I325 HydrophobicContact CG-CG2 3.5Å
326F87.3Confident76.9Confident1 Ų133.1 Ų33.10%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-139.8138.3170.4177.4-126000111F30 F171 F225 L232 F276 L278 V328 I366 I368F30-F326 HydrophobicContact CD1-CB 3.87Å; F30-F326 HydrophobicContact CE1-CB 3.18Å; F30-F326 HydrophobicContact CE1-CG 4.18Å; F30-F326 HydrophobicContact CE2-CB 4.02Å; F30-F326 HydrophobicContact CE2-CD1 4.06Å; F30-F326 HydrophobicContact CE2-CG 4.27Å; F30-F326 HydrophobicContact CZ-CB 3.24Å; F30-F326 HydrophobicContact CZ-CD1 4Å; F30-F326 AromaticContact CZ-CG 3.73Å; F30-F326 HydrophobicContact CZ-CG 3.73Å; F171-F326 AromaticContact CD1-CD2 3.86Å; F171-F326 HydrophobicContact CD1-CD2 3.86Å; F171-F326 AromaticContact CD1-CE2 3.86Å; F171-F326 HydrophobicContact CD1-CE2 3.86Å; F171-F326 HydrophobicContact CE1-CE2 4.17Å; F225-F326 HydrophobicContact CZ-CE2 4.17Å; F225-F326 HydrophobicContact CZ-CZ 4.32Å; L232-F326 HydrophobicContact CD1-CE1 4.04Å; L232-F326 HydrophobicContact CD1-CZ 3.96Å; L232-F326 HydrophobicContact CD2-CZ 4.27Å; F276-F326 HydrophobicContact CE2-CD1 4.13Å; F276-F326 HydrophobicContact CE2-CE1 4.25Å; F276-F326 HydrophobicContact CZ-CD1 4.46Å; F276-F326 HydrophobicContact CZ-CE1 4.12Å; L278-F326 PolarHBondContact N-O 3.5Å; L278-F326 PolarHBondContact O-N 3.46Å; F326-V328 HydrophobicContact CD1-CG2 4.06Å; F326-V328 HydrophobicContact CE1-CG2 3.28Å; F326-V328 HydrophobicContact CE2-CG2 4.2Å; F326-V328 HydrophobicContact CZ-CG2 3.37Å; F326-I366 HydrophobicContact CD1-CD1 3.93Å; F326-I366 HydrophobicContact CE1-CD1 4.04Å; F326-I368 HydrophobicContact CD2-CD1 3.69Å; F326-I368 HydrophobicContact CE2-CD1 3.66Å; F326-I368 HydrophobicContact CE2-CG1 4.41Å; F326-I368 HydrophobicContact CG-CD1 4.25Å; F326-I368 HydrophobicContact CZ-CD1 4.19Å; F326-I368 HydrophobicContact CZ-CG1 4.49Å
327E84.8Confident73.7Confident48 Ų4836.4 Ų36.422%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-132.5133-178.4-175.6167.7-169.900109.3K277 R279K277-E327 HydrophobicContact CB-CG 4.32Å; K277-E327 HydrophobicContact CD-CG 4.38Å; K277-E327 HydrophobicContact CG-CB 4.33Å; K277-E327 HydrophobicContact CG-CG 4.12Å; R279-E327 IonicContact CZ-OE2 2.84Å; R279-E327 IonicContact NE-OE2 3.37Å; R279-E327 IonicContact NH2-OE2 2.87Å; R279-E327 PolarHBondContact NH2-OE2 3.37Å
328V85.1Confident70.5Confident1 Ų140.7 Ų40.71%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-118.7114.2-179.4169.30000107.4W175 M202 L273 K275 F276 F326W175-V328 HydrophobicContact CZ2-CG1 4.02Å; W175-V328 HydrophobicContact CZ2-CG2 4.35Å; M202-V328 HydrophobicContact CE-CG1 3.48Å; M202-V328 VanDerWaalsContact CE-CG1 3.48Å; L273-V328 HydrophobicContact CD2-CG1 3.67Å; L273-V328 HydrophobicContact CG-CG1 4.25Å; K275-V328 VanDerWaalsContact CG-O 3.25Å; K275-V328 WeakPolarHBondContact CG-O 3.23Å; F276-V328 HydrophobicContact CD1-CB 4.09Å; F276-V328 HydrophobicContact CD1-CG1 4.31Å; F276-V328 HydrophobicContact CD1-CG2 4.38Å; F276-V328 HydrophobicContact CE1-CB 3.89Å; F276-V328 HydrophobicContact CE1-CG1 4.04Å; F276-V328 HydrophobicContact CE1-CG2 3.73Å; F276-V328 HydrophobicContact CE2-CG2 3.98Å; F276-V328 HydrophobicContact CG-CB 4.49Å; F276-V328 HydrophobicContact CZ-CB 4.12Å; F276-V328 HydrophobicContact CZ-CG2 3.51Å; F276-V328 PolarHBondContact N-O 3.22Å; F276-V328 PolarHBondContact O-N 2.93Å; F326-V328 HydrophobicContact CD1-CG2 4.06Å; F326-V328 HydrophobicContact CE1-CG2 3.28Å; F326-V328 HydrophobicContact CE2-CG2 4.2Å; F326-V328 HydrophobicContact CZ-CG2 3.37Å
329D86Confident67.4Low30 Ų3045.3 Ų45.316%0.1631%0.306CS..  trans-137.4174.2176.568.1-10.9000112.3W175 K275 K331W175-D329 PolarHBondContact NE1-O 3.27Å; K275-D329 HydrophobicContact CD-CB 4.5Å; D329-K331 PolarHBondContact O-N 3Å
330E80.8Confident64.3Low16 Ų1648.4 Ų48.48%0.07533%0.334CS..SBendtrans-66.5-29.7-177.7-62.684.8167.200111.6E181 S184 M202 K275E181-E330 HydrophobicContact CG-CB 3.79Å; E181-E330 HydrophobicContact CG-CG 4.14Å; S184-E330 WeakPolarHBondContact OG-CG 3.37Å; M202-E330 HydrophobicContact CG-CG 3.88Å; M202-E330 HydrophobicContact SD-CB 4.25Å; M202-E330 HydrophobicContact SD-CG 3.72Å; M202-E330 PolarHBondContact SD-N 2.8Å; K275-E330 WeakPolarHBondContact CD-OE2 3.44Å; K275-E330 WeakPolarHBondContact CE-OE2 2.87Å; K275-E330 IonicContact NZ-OE2 2.92Å; K275-E330 PolarHBondContact NZ-OE2 2.86Å
331K72Confident61.2Low104 Ų10453.9 Ų53.945%0.45237%0.368SS..  trans-93130.7-170.1-71.9-172.7-177.3179.20112.6E181 D329E181-K331 WeakPolarHBondContact OE1-CE 3.42Å; E181-K331 WeakPolarHBondContact OE1-CG 3.24Å; E181-K331 IonicContact OE1-NZ 3.54Å; D329-K331 PolarHBondContact O-N 3Å
332G55.4Low58Low16 Ų1661.7 Ų61.717%0.16540%0.404CS..SBendtrans-91.20.6143.700000113.8M174M174-G332 WeakPolarHBondContact CE-O 3.3Å; M174-G332 WeakPolarHBondContact CG-O 3.29Å
333A28.6Very low55.3Low71 Ų7168.8 Ų68.859%0.58744%0.439SS*.  trans88.1136.7-154.800000113.3
334V27.7Very low52.6Low128 Ų12872.9 Ų72.978%0.77647%0.467SS*.SBendtrans-56.2145.3-168.9-1790000111.8
335A31.5Very low50.2Low91 Ų9180.7 Ų80.775%0.75249%0.494SS*.  trans87.464.8178.500000116.8
336A28.1Very low47.9Very low72 Ų7285.8 Ų85.860%0.59553%0.529SS*.  trans-118.858133.100000107.9A338A336-A338 PolarHBondContact O-N 3.27Å
337A27.4Very low45.6Very low92 Ų9292.5 Ų92.576%0.7657%0.57SS**  trans-58.3129.7162.200000107.8
338A30.5Very low43.5Very low94 Ų9493.5 Ų93.578%0.77759%0.587SS**  trans5962.7160.700000116.9A336A336-A338 PolarHBondContact O-N 3.27Å
339T31.6Very low41.5Very low117 Ų117103.9 Ų103.972%0.71863%0.632SS**  trans-120.752136.56.20000109.1T341T339-T341 PolarHBondContact O-N 3.2Å
340A31Very low39.6Very low86 Ų86107.7 Ų107.771%0.71165%0.651SS**  trans-61.891.614400000104.9Q342A340-Q342 PolarHBondContact O-N 3.03Å
341T32Very low38Very low116 Ų116110.8 Ų110.871%0.71268%0.675SS**  trans-57.492.7154.545.60000104.5T339 M343T339-T341 PolarHBondContact O-N 3.2Å; T341-M343 PolarHBondContact O-N 3.3Å
342Q29.4Very low37Very low170 Ų170115.3 Ų115.379%0.79470%0.697SS**  trans-59.689.9160.2-75.8-176.1-7.400104.3A340 V344A340-Q342 PolarHBondContact O-N 3.03Å; Q342-V344 PolarHBondContact O-N 3.28Å
343M38Very low37.4Very low150 Ų150123.1 Ų123.174%0.73973%0.727SS**  trans-59.7102.1153.1-89.6-171.3-168.300104.2T341 R345T341-M343 PolarHBondContact O-N 3.3Å; M343-R345 PolarHBondContact O-N 2.85Å
344V38Very low40Very low118 Ų118124.9 Ų124.972%0.71574%0.735SS**  trans-49.3115.5171.3175.10000105.9Q342 C346Q342-V344 PolarHBondContact O-N 3.28Å; V344-C346 PolarHBondContact O-N 3.33Å
345R40.5Very low42.9Very low172 Ų172120 Ų12065%0.64971%0.705SS**  trans-58.7104.1170.9-78.9-176.6174.7175.7-0.1106.5M343 T347 I350M343-R345 PolarHBondContact O-N 2.85Å; R345-T347 PolarHBondContact O-N 2.86Å; R345-I350 HydrophobicContact CB-CD1 4.47Å; R345-I350 HydrophobicContact CG-CD1 4.37Å
346C40.2Very low45.8Very low108 Ų108118.5 Ų118.573%0.7369%0.687SS**  trans-59.8109.4163.2-72.70000106.3V344 A348V344-C346 PolarHBondContact O-N 3.33Å; C346-A348 PolarHBondContact O-N 2.88Å
347T39.4Very low49Very low142 Ų142119.1 Ų119.187%0.87168%0.678SS**  trans-67.783.3179.344.90000109.4R345R345-T347 PolarHBondContact O-N 2.86Å
348A41.1Very low52.3Low70 Ų70114.7 Ų114.758%0.57964%0.642SS**SBendtrans-134.196.5164.700000107.2C346 I350C346-A348 PolarHBondContact O-N 2.88Å; A348-I350 PolarHBondContact O-N 2.87Å; A348-I350 VanDerWaalsContact O-N 3.13Å
349F42.6Very low55.5Low219 Ų219113.2 Ų113.296%0.96162%0.616SS**  trans38.960.3164.3-59.7-81.5000115.6S351F349-S351 PolarHBondContact O-N 3.37Å
350I46.5Very low58.7Low109 Ų109107.7 Ų107.756%0.55958%0.582SS**  trans-78.8105.4175.3-55.7175.6000107.6R345 A348 H352R345-I350 HydrophobicContact CB-CD1 4.47Å; R345-I350 HydrophobicContact CG-CD1 4.37Å; A348-I350 PolarHBondContact O-N 2.87Å; A348-I350 VanDerWaalsContact O-N 3.13Å; I350-H352 PolarHBondContact O-N 2.85Å
351S46.8Very low61.8Low81 Ų81105 Ų10557%0.56656%0.556SS**  trans-37128.3161.8176.60000109.7F349 K353F349-S351 PolarHBondContact O-N 3.37Å; S351-K353 PolarHBondContact O-N 2.88Å
352H49.9Very low64.9Low200 Ų20099.9 Ų99.993%0.92652%0.524SS*.  trans-6449.1172.5-76.8-56.1000112.3I350 S354I350-H352 PolarHBondContact O-N 2.85Å; H352-S354 PolarHBondContact O-N 2.92Å
353K64.8Low68.2Low180 Ų18091.8 Ų91.878%0.78349%0.486SS*.  trans-65.3109.7165.3-75.4-173.8178.5-178.40106.4S351 V355S351-K353 PolarHBondContact O-N 2.88Å; K353-V355 PolarHBondContact O-N 3.04Å
354S82.9Confident71Confident108 Ų10884.6 Ų84.676%0.75545%0.451SS*.PPolyproline II helixtrans-53.8132.2170.453.50000109.1H352H352-S354 PolarHBondContact O-N 2.92Å
355V87.8Confident73.7Confident26 Ų2679 Ų7916%0.15842%0.416CS..PPolyproline II helixtrans-54.6125.9173.8179.90000108.8E268 K270 K353E268-V355 HydrophobicContact CB-CG1 4.5Å; E268-V355 HydrophobicContact CG-CG1 4.01Å; E268-V355 HydrophobicContact CG-CG2 4.22Å; E268-V355 WeakPolarHBondContact O-CG1 3.29Å; K270-V355 HydrophobicContact CG-CG1 4.03Å; K353-V355 PolarHBondContact O-N 3.04Å
356P93.5Very high76.3Confident58 Ų5870.8 Ų70.838%0.37739%0.386SS..PPolyproline II helixtrans-63.7151.3-179.624.5-32.9000112.2T267 E268 L269 K270T267-P356 HydrophobicContact CG2-CG 4.02Å; E268-P356 WeakPolarHBondContact O-CD 2.71Å; L269-P356 HydrophobicContact CD1-CB 4.22Å; L269-P356 HydrophobicContact CD1-CG 4.06Å; L269-P356 WeakPolarHBondContact CD1-O 3.37Å; K270-P356 PolarHBondContact N-O 3.38Å
357E95.6Very high79Confident85 Ų8565.7 Ų65.740%0.39735%0.351SS..EExtended strand (participates in β ladder)trans-102.5136.8173.5-61.1-167.2-176.100111.4R219 K270 Y272 R359R219-E357 PolarHBondContact NH1-O 2.95Å; K270-E357 HydrophobicContact CB-CG 4.13Å; K270-E357 HydrophobicContact CD-CG 4.22Å; K270-E357 WeakPolarHBondContact O-CA 3.27Å; Y272-E357 HydrophobicContact CE2-CB 4.47Å; Y272-E357 HydrophobicContact CE2-CG 4.24Å; E357-R359 IonicContact OE2-CZ 2.74Å; E357-R359 IonicContact OE2-NE 2.62Å; E357-R359 IonicContact OE2-NH2 3.69Å; E357-R359 PolarHBondContact OE2-NH2 3.09Å
358F97.4Very high81.7Confident0 Ų058.9 Ų58.90%031%0.309CS..EExtended strand (participates in β ladder)trans-117.794.9165.7-165-79.1000108.1M210 R219 V221 V234 L236 L269 K270 L271 Y272 V360M210-F358 HydrophobicContact CE-CD2 4.15Å; M210-F358 HydrophobicContact SD-CD2 4.49Å; R219-F358 HydrophobicContact CB-CD2 4.48Å; R219-F358 HydrophobicContact CB-CE2 3.81Å; V221-F358 HydrophobicContact CB-CD1 4.46Å; V221-F358 HydrophobicContact CB-CD2 4.28Å; V221-F358 HydrophobicContact CB-CE1 4.29Å; V221-F358 HydrophobicContact CB-CE2 4.1Å; V221-F358 HydrophobicContact CB-CG 4.46Å; V221-F358 HydrophobicContact CB-CZ 4.12Å; V221-F358 HydrophobicContact CG1-CD1 3.78Å; V221-F358 HydrophobicContact CG1-CD2 4.41Å; V221-F358 HydrophobicContact CG1-CE1 3.46Å; V221-F358 VanDerWaalsContact CG1-CE1 3.46Å; V221-F358 HydrophobicContact CG1-CE2 4.14Å; V221-F358 HydrophobicContact CG1-CG 4.25Å; V221-F358 HydrophobicContact CG1-CZ 3.67Å; V234-F358 HydrophobicContact CG1-CE1 4.08Å; L236-F358 HydrophobicContact CB-CE1 3.93Å; L236-F358 HydrophobicContact CB-CE2 4.37Å; L236-F358 HydrophobicContact CB-CZ 3.57Å; L236-F358 HydrophobicContact CD2-CD1 4.39Å; L236-F358 HydrophobicContact CD2-CE1 4.07Å; L236-F358 HydrophobicContact CD2-CZ 4.28Å; L269-F358 HydrophobicContact CD1-CB 3.87Å; L269-F358 HydrophobicContact CD2-CB 3.66Å; L269-F358 HydrophobicContact CD2-CG 4.38Å; L269-F358 HydrophobicContact CG-CB 3.98Å; K270-F358 PolarHBondContact O-N 2.96Å; L271-F358 HydrophobicContact CD1-CB 4.25Å; L271-F358 HydrophobicContact CD1-CD1 3.87Å; L271-F358 HydrophobicContact CD1-CG 4.41Å; Y272-F358 PolarHBondContact N-O 3.02Å; F358-V360 HydrophobicContact CD1-CG2 3.79Å; F358-V360 HydrophobicContact CE1-CG2 3.57Å
359R97.4Very high84.3Confident63 Ų6355.6 Ų55.624%0.23828%0.282CS..EExtended strand (participates in β ladder)trans-107.8104.9-173.1-176.8-176.6-63.9-94-3.8111L201 L236 Y272 E357 N361L201-R359 HydrophobicContact CD2-CG 4.39Å; L236-R359 VanDerWaalsContact CD2-O 3.24Å; L236-R359 WeakPolarHBondContact CD2-O 3.42Å; Y272-R359 HydrophobicContact CD2-CB 4.16Å; Y272-R359 HydrophobicContact CD2-CG 4.43Å; Y272-R359 HydrophobicContact CG-CG 4.42Å; E357-R359 IonicContact OE2-CZ 2.74Å; E357-R359 IonicContact OE2-NE 2.62Å; E357-R359 IonicContact OE2-NH2 3.69Å; E357-R359 PolarHBondContact OE2-NH2 3.09Å; R359-N361 VanDerWaalsContact C-N 3.28Å; R359-N361 HydrophobicContact CG-CB 3.95Å; R359-N361 PolarHBondContact O-N 2.99Å; R359-N361 PolarHBondContact O-OD1 3.35Å
360V97.9Very high86.8Confident0 Ų045.5 Ų45.50%024%0.237CC..  trans-8176.9178.3-174.90000109.1V234 L236 Y272 L273 P274 F358 F364V234-V360 HydrophobicContact CG1-CG2 3.91Å; L236-V360 HydrophobicContact CD1-CG1 4.27Å; L236-V360 HydrophobicContact CD2-CG2 4.46Å; Y272-V360 WeakPolarHBondContact O-CB 3.3Å; Y272-V360 PolarHBondContact O-N 2.96Å; L273-V360 HydrophobicContact CD1-CB 4.28Å; L273-V360 HydrophobicContact CD1-CG1 4.41Å; L273-V360 HydrophobicContact CD1-CG2 4.04Å; P274-V360 VanDerWaalsContact CD-O 3.3Å; P274-V360 WeakPolarHBondContact CD-O 3.17Å; P274-V360 HydrophobicContact CG-CG1 4.17Å; F358-V360 HydrophobicContact CD1-CG2 3.79Å; F358-V360 HydrophobicContact CE1-CG2 3.57Å; V360-F364 HydrophobicContact CG1-CB 4.14Å; V360-F364 HydrophobicContact CG1-CD1 3.29Å; V360-F364 HydrophobicContact CG1-CD2 3.82Å; V360-F364 HydrophobicContact CG1-CE1 3.45Å; V360-F364 VanDerWaalsContact CG1-CE1 3.45Å; V360-F364 HydrophobicContact CG1-CE2 3.94Å; V360-F364 HydrophobicContact CG1-CG 3.49Å; V360-F364 VanDerWaalsContact CG1-CG 3.49Å; V360-F364 HydrophobicContact CG1-CZ 3.78Å
361N97Very high89Confident31 Ų3143.7 Ų43.717%0.16623%0.229CC..  trans-114.218.4-177.267.1-15.3000113.4F189 Y190 R359F189-N361 CarbonylContact C-O 3.53Å; F189-N361 VanDerWaalsContact CA-O 3.28Å; F189-N361 WeakPolarHBondContact CA-O 3.38Å; F189-N361 VanDerWaalsContact CD2-C 3.42Å; Y190-N361 WeakPolarHBondContact CD2-O 3.45Å; Y190-N361 PolarHBondContact N-O 3.44Å; R359-N361 VanDerWaalsContact C-N 3.28Å; R359-N361 HydrophobicContact CG-CB 3.95Å; R359-N361 PolarHBondContact O-N 2.99Å; R359-N361 PolarHBondContact O-OD1 3.35Å
362H97.3Very high91.1Very high7 Ų744 Ų443%0.03222%0.224CC..SBendtrans-159.9167.2178.361.4-93.9000109Y190 L236 P237 N240 F364Y190-H362 WeakPolarHBondContact O-CA 3.34Å; Y190-H362 WeakPolarHBondContact O-CB 3.25Å; L236-H362 VanDerWaalsContact CD1-CE1 3.47Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.3Å; L236-H362 VanDerWaalsContact CD1-NE2 3.35Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.42Å; P237-H362 PolarHBondContact O-CE1 2.88Å; P237-H362 PolarHBondContact O-NE2 3.05Å; N240-H362 HydrophobicContact CB-CB 3.97Å; N240-H362 PolarHBondContact OD1-ND1 2.9Å; H362-F364 VanDerWaalsContact O-CD1 3.29Å; H362-F364 WeakPolarHBondContact O-CD1 3.37Å; H362-F364 PolarHBondContact O-N 2.93Å
363P97Very high93Very high0 Ų037.4 Ų37.40%020%0.2CC..  trans-46.8132.9-173.9-33.131.3000114.9F189 Y190 L192 P237 L243 V381F189-P363 HydrophobicContact CE1-CG 4.36Å; Y190-P363 WeakPolarHBondContact O-CD 3.46Å; L192-P363 HydrophobicContact CD2-CB 3.87Å; L192-P363 HydrophobicContact CD2-CG 3.65Å; L192-P363 HydrophobicContact CG-CB 4.23Å; L192-P363 HydrophobicContact CG-CG 3.69Å; P237-P363 WeakPolarHBondContact CD-O 3.35Å; L243-P363 HydrophobicContact CB-CB 3.8Å; L243-P363 HydrophobicContact CD2-CB 3.65Å; L243-P363 HydrophobicContact CG-CB 4.3Å; P363-V381 WeakPolarHBondContact CA-O 3.46Å
364F96.9Very high94.3Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-144.8157.2-168.960.7-80.2000111.6F189 V234 I235 L236 P274 F276 V360 H362 I366 H380 V381F189-F364 HydrophobicContact CE2-CD1 4.22Å; F189-F364 AromaticContact CE2-CE1 3.97Å; F189-F364 HydrophobicContact CE2-CE1 3.97Å; F189-F364 HydrophobicContact CZ-CD1 4.31Å; F189-F364 HydrophobicContact CZ-CE1 4.25Å; V234-F364 HydrophobicContact CG1-CD2 3.86Å; V234-F364 HydrophobicContact CG1-CE2 4.5Å; I235-F364 WeakPolarHBondContact O-CB 3.14Å; L236-F364 HydrophobicContact CD1-CB 3.98Å; P274-F364 HydrophobicContact CG-CE1 4Å; P274-F364 HydrophobicContact CG-CZ 4.01Å; F276-F364 HydrophobicContact CD1-CZ 4.1Å; F276-F364 HydrophobicContact CE1-CE2 4.01Å; F276-F364 AromaticContact CE1-CZ 3.62Å; F276-F364 HydrophobicContact CE1-CZ 3.62Å; F276-F364 HydrophobicContact CZ-CE2 4.14Å; F276-F364 HydrophobicContact CZ-CZ 4.06Å; V360-F364 HydrophobicContact CG1-CB 4.14Å; V360-F364 HydrophobicContact CG1-CD1 3.29Å; V360-F364 HydrophobicContact CG1-CD2 3.82Å; V360-F364 HydrophobicContact CG1-CE1 3.45Å; V360-F364 VanDerWaalsContact CG1-CE1 3.45Å; V360-F364 HydrophobicContact CG1-CE2 3.94Å; V360-F364 HydrophobicContact CG1-CG 3.49Å; V360-F364 VanDerWaalsContact CG1-CG 3.49Å; V360-F364 HydrophobicContact CG1-CZ 3.78Å; H362-F364 VanDerWaalsContact O-CD1 3.29Å; H362-F364 WeakPolarHBondContact O-CD1 3.37Å; H362-F364 PolarHBondContact O-N 2.93Å; F364-I366 HydrophobicContact CD2-CG2 3.43Å; F364-I366 VanDerWaalsContact CD2-CG2 3.43Å; F364-I366 HydrophobicContact CE2-CG2 3.29Å; F364-H380 WeakPolarHBondContact O-CA 3.44Å; F364-V381 HydrophobicContact CD1-CB 4.08Å; F364-V381 HydrophobicContact CE1-CB 3.63Å; F364-V381 HydrophobicContact CE1-CG1 3.79Å; F364-V381 HydrophobicContact CE1-CG2 4.24Å; F364-V381 HydrophobicContact CE2-CB 4.17Å; F364-V381 HydrophobicContact CE2-CG2 3.96Å; F364-V381 HydrophobicContact CZ-CB 3.68Å; F364-V381 HydrophobicContact CZ-CG1 3.98Å; F364-V381 HydrophobicContact CZ-CG2 3.76Å; F364-V381 PolarHBondContact N-O 3.2Å; F364-V381 VanDerWaalsContact N-O 3.09Å; F364-V381 PolarHBondContact O-N 2.74Å
365F96.1Very high94.8Very high0 Ų024.1 Ų24.10%013%0.13CC..EExtended strand (participates in β ladder)trans-94.6145172.2174.6-88.8000110.2Y15 I235 L246 L247 M250 I256 L378 G379Y15-F365 HydrophobicContact CD1-CE2 4.46Å; Y15-F365 HydrophobicContact CE1-CD2 4.15Å; Y15-F365 AromaticContact CE1-CE2 3.63Å; Y15-F365 HydrophobicContact CE1-CE2 3.63Å; Y15-F365 AromaticContact CZ-CE2 3.9Å; I235-F365 HydrophobicContact CB-CB 4.25Å; I235-F365 HydrophobicContact CB-CD1 4.36Å; I235-F365 HydrophobicContact CD1-CD1 3.63Å; I235-F365 HydrophobicContact CD1-CE1 4.12Å; I235-F365 HydrophobicContact CG1-CD1 3.97Å; I235-F365 PolarHBondContact N-O 3.32Å; I235-F365 PolarHBondContact O-N 2.99Å; L246-F365 HydrophobicContact CD2-CB 4.2Å; L247-F365 HydrophobicContact CD2-CB 4.45Å; L247-F365 HydrophobicContact CD2-CD2 3.81Å; M250-F365 HydrophobicContact CE-CD2 4.09Å; M250-F365 HydrophobicContact CE-CE2 3.77Å; M250-F365 HydrophobicContact CE-CZ 4.08Å; M250-F365 HydrophobicContact SD-CE1 4.35Å; M250-F365 HydrophobicContact SD-CE2 4.43Å; M250-F365 HydrophobicContact SD-CZ 4.28Å; I256-F365 HydrophobicContact CD1-CE1 4.08Å; I256-F365 HydrophobicContact CD1-CZ 4.19Å; F365-L378 HydrophobicContact CE2-CB 4.21Å; F365-L378 HydrophobicContact CZ-CB 3.83Å; F365-G379 WeakPolarHBondContact CD2-O 3.25Å; F365-G379 WeakPolarHBondContact CE2-O 3.38Å
366I95.6Very high95.1Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-131.1148.217558.4172.8000111.7F30 L232 L233 V234 F276 L278 F326 F364 L378 G379 V381F30-I366 HydrophobicContact CD2-CD1 3.88Å; F30-I366 HydrophobicContact CD2-CG1 4.34Å; F30-I366 HydrophobicContact CE2-CD1 3.85Å; F30-I366 HydrophobicContact CE2-CG1 4.35Å; L232-I366 HydrophobicContact CD1-CB 4.18Å; L232-I366 HydrophobicContact CD1-CG2 4.47Å; L233-I366 CarbonylContact O-C 3.46Å; L233-I366 WeakPolarHBondContact O-CA 3.35Å; V234-I366 HydrophobicContact CG2-CG2 4.35Å; F276-I366 HydrophobicContact CE2-CD1 4.05Å; F276-I366 HydrophobicContact CZ-CD1 4.07Å; L278-I366 HydrophobicContact CD1-CD1 3.7Å; F326-I366 HydrophobicContact CD1-CD1 3.93Å; F326-I366 HydrophobicContact CE1-CD1 4.04Å; F364-I366 HydrophobicContact CD2-CG2 3.43Å; F364-I366 VanDerWaalsContact CD2-CG2 3.43Å; F364-I366 HydrophobicContact CE2-CG2 3.29Å; I366-L378 CarbonylContact O-C 3.53Å; I366-L378 VanDerWaalsContact O-CA 3.32Å; I366-L378 WeakPolarHBondContact O-CA 3.42Å; I366-G379 PolarHBondContact N-O 3.05Å; I366-G379 PolarHBondContact O-N 3.39Å; I366-G379 VanDerWaalsContact O-O 3.13Å; I366-V381 HydrophobicContact CD1-CG2 4.11Å
367S95.9Very high95.2Very high0 Ų020.1 Ų20.10%010%0.104CC..EExtended strand (participates in β ladder)trans-148.6142166.8-1770000111.5L233 I256 I369 F377L233-S367 PolarHBondContact N-O 2.88Å; L233-S367 PolarHBondContact O-N 3.04Å; I256-S367 WeakPolarHBondContact CD1-OG 3.16Å; S367-I369 VanDerWaalsContact OG-CD1 3.24Å; S367-I369 WeakPolarHBondContact OG-CD1 3.26Å; S367-F377 CarbonylContact C-O 3.57Å; S367-F377 WeakPolarHBondContact CA-O 3.4Å; S367-F377 WeakPolarHBondContact CB-O 3.49Å; S367-F377 PolarHBondContact OG-O 2.95Å
368I95.2Very high95.1Very high0 Ų016.2 Ų16.20%09%0.086CC..EExtended strand (participates in β ladder)trans-95.3112.3170.4-58.7174.5000107.3F30 F171 F225 F230 L232 F326 I376 F377F30-I368 HydrophobicContact CZ-CD1 4.25Å; F171-I368 HydrophobicContact CB-CD1 4.13Å; F171-I368 HydrophobicContact CD1-CD1 3.46Å; F171-I368 VanDerWaalsContact CD1-CD1 3.46Å; F171-I368 HydrophobicContact CD2-CD1 4.16Å; F171-I368 HydrophobicContact CD2-CG2 4.34Å; F171-I368 HydrophobicContact CE1-CD1 3.81Å; F171-I368 HydrophobicContact CE1-CG2 4.48Å; F171-I368 HydrophobicContact CE2-CD1 4.45Å; F171-I368 HydrophobicContact CE2-CG2 3.88Å; F171-I368 HydrophobicContact CG-CD1 3.64Å; F171-I368 HydrophobicContact CZ-CD1 4.29Å; F171-I368 HydrophobicContact CZ-CG2 3.95Å; F225-I368 HydrophobicContact CE2-CG2 4.4Å; F230-I368 HydrophobicContact CD1-CG2 4.25Å; L232-I368 HydrophobicContact CD1-CG1 4.31Å; F326-I368 HydrophobicContact CD2-CD1 3.69Å; F326-I368 HydrophobicContact CE2-CD1 3.66Å; F326-I368 HydrophobicContact CE2-CG1 4.41Å; F326-I368 HydrophobicContact CG-CD1 4.25Å; F326-I368 HydrophobicContact CZ-CD1 4.19Å; F326-I368 HydrophobicContact CZ-CG1 4.49Å; I368-I376 PolarHBondContact O-N 2.84Å; I368-F377 HydrophobicContact CB-CB 4.08Å; I368-F377 HydrophobicContact CB-CD2 4Å; I368-F377 HydrophobicContact CB-CG 4.49Å; I368-F377 HydrophobicContact CD1-CB 4.09Å; I368-F377 HydrophobicContact CD1-CD2 3.78Å; I368-F377 HydrophobicContact CD1-CG 4.06Å; I368-F377 HydrophobicContact CG1-CB 4.18Å; I368-F377 HydrophobicContact CG1-CD2 4.38Å; I368-F377 HydrophobicContact CG2-CD2 4.39Å; I368-F377 PolarHBondContact N-O 3.14Å; I368-F377 PolarHBondContact O-N 2.84Å
369I95.8Very high94.9Very high0 Ų016.2 Ų16.20%09%0.086CC..EExtended strand (participates in β ladder)trans-98.1132.1-176.1-50.8-59.4000109.5F230 T231 L233 I256 L260 S367 D372 L374 P375F230-I369 WeakPolarHBondContact CA-O 3.48Å; T231-I369 PolarHBondContact N-O 3.31Å; T231-I369 PolarHBondContact O-N 3.27Å; L233-I369 HydrophobicContact CB-CG1 3.95Å; I256-I369 HydrophobicContact CD1-CD1 3.79Å; L260-I369 HydrophobicContact CD1-CD1 4.03Å; L260-I369 HydrophobicContact CD1-CG2 4.22Å; L260-I369 HydrophobicContact CD2-CD1 3.98Å; L260-I369 HydrophobicContact CD2-CG1 3.88Å; L260-I369 HydrophobicContact CD2-CG2 4.17Å; S367-I369 VanDerWaalsContact OG-CD1 3.24Å; S367-I369 WeakPolarHBondContact OG-CD1 3.26Å; I369-D372 VanDerWaalsContact CG2-C 3.42Å; I369-L374 CarbonylContact C-O 3.55Å; I369-L374 WeakPolarHBondContact CA-O 3.49Å; I369-P375 HydrophobicContact CD1-CB 4.24Å
370W95Very high94.7Very high8 Ų813.2 Ų13.23%0.037%0.074CC..EExtended strand (participates in β ladder)trans-107.1132.5174.6-178.557.7000111.2L77 D80 C81 K229 F230 D372 S373 L374 I376L77-W370 HydrophobicContact CD2-CH2 4.29Å; L77-W370 HydrophobicContact CD2-CZ3 3.69Å; D80-W370 HydrophobicContact CB-CH2 3.66Å; D80-W370 HydrophobicContact CB-CZ2 3.71Å; C81-W370 HydrophobicContact CB-CD2 4.37Å; C81-W370 HydrophobicContact CB-CE3 4.43Å; C81-W370 HydrophobicContact CB-CH2 4.26Å; C81-W370 HydrophobicContact CB-CZ2 4.18Å; C81-W370 HydrophobicContact CB-CZ3 4.36Å; K229-W370 CarbonylContact O-C 3.6Å; K229-W370 VanDerWaalsContact O-CA 3.23Å; K229-W370 WeakPolarHBondContact O-CA 3.49Å; F230-W370 HydrophobicContact CD1-CB 4.37Å; F230-W370 HydrophobicContact CE1-CB 4.25Å; F230-W370 AromaticContact CE1-CD1 3.58Å; F230-W370 HydrophobicContact CE1-CG 4.11Å; F230-W370 AromaticContact CZ-CD1 3.69Å; W370-D372 PolarHBondContact O-N 3.03Å; W370-S373 PolarHBondContact O-N 2.97Å; W370-L374 HydrophobicContact CE3-CB 4.32Å; W370-L374 HydrophobicContact CE3-CD1 3.79Å; W370-L374 HydrophobicContact CZ3-CD1 3.9Å; W370-L374 PolarHBondContact N-O 2.96Å; W370-L374 PolarHBondContact O-N 3.41Å; W370-I376 HydrophobicContact CB-CD1 3.71Å; W370-I376 HydrophobicContact CB-CG1 3.43Å; W370-I376 VanDerWaalsContact CB-CG1 3.43Å; W370-I376 HydrophobicContact CD2-CD1 4.39Å; W370-I376 HydrophobicContact CE3-CD1 4.06Å; W370-I376 HydrophobicContact CG-CD1 4.3Å; W370-I376 HydrophobicContact CG-CG1 4.31Å
371N93Very high94.5Very high70 Ų7013.2 Ų13.237%0.3747%0.074SC..THydrogen-bonded Turntrans47.543.2-175.5-61.1-36.3000112.7K229 S373K229-N371 WeakPolarHBondContact CG-OD1 3.43Å; K229-N371 PolarHBondContact O-N 2.86Å; N371-S373 PolarHBondContact O-N 2.97Å; N371-S373 PolarHBondContact O-OG 3.15Å
372D90.4Very high94.3Very high88 Ų8812.2 Ų12.247%0.4717%0.069SC..THydrogen-bonded Turntrans58.23.8178.5-79.1-59.4000117.5K222 I369 W370K222-D372 IonicContact NZ-OD1 2.96Å; K222-D372 PolarHBondContact NZ-OD1 2.91Å; I369-D372 VanDerWaalsContact CG2-C 3.42Å; W370-D372 PolarHBondContact O-N 3.03Å
373S89.9Confident93.9Very high61 Ų6111.9 Ų11.943%0.4277%0.068SC..THydrogen-bonded Turntrans-135.4-30.3-168.451.10000114.6W370 N371W370-S373 PolarHBondContact O-N 2.97Å; N371-S373 PolarHBondContact O-N 2.97Å; N371-S373 PolarHBondContact O-OG 3.15Å
374L93.3Very high93.4Very high10 Ų1012.1 Ų12.15%0.0527%0.069CC..EExtended strand (participates in β ladder)trans-107.7117.5-172.4-73.1176.3000112.5L7 L77 I369 W370 I376L7-L374 HydrophobicContact CD2-CD2 4.27Å; L77-L374 HydrophobicContact CD2-CD1 3.86Å; I369-L374 CarbonylContact C-O 3.55Å; I369-L374 WeakPolarHBondContact CA-O 3.49Å; W370-L374 HydrophobicContact CE3-CB 4.32Å; W370-L374 HydrophobicContact CE3-CD1 3.79Å; W370-L374 HydrophobicContact CZ3-CD1 3.9Å; W370-L374 PolarHBondContact N-O 2.96Å; W370-L374 PolarHBondContact O-N 3.41Å; L374-I376 PolarHBondContact O-N 2.99Å
375P93.5Very high92.7Very high0 Ų015.4 Ų15.40%09%0.087CC..EExtended strand (participates in β ladder)trans-71.8108.3171.229.7-35000111.2T11 I256 I369T11-P375 HydrophobicContact CG2-CB 4.44Å; T11-P375 HydrophobicContact CG2-CG 3.82Å; I256-P375 HydrophobicContact CD1-CB 4.03Å; I256-P375 HydrophobicContact CG2-CB 4.37Å; I256-P375 HydrophobicContact CG2-CG 3.91Å; I369-P375 HydrophobicContact CD1-CB 4.24Å
376I94.4Very high91.1Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-81.8-40175.1-52.9-57.7000110.5S32 F34 I90 I368 W370 L374S32-I376 VanDerWaalsContact CA-O 3.23Å; S32-I376 WeakPolarHBondContact CA-O 2.8Å; S32-I376 WeakPolarHBondContact CB-O 3.47Å; S32-I376 PolarHBondContact OG-O 3.34Å; F34-I376 HydrophobicContact CB-CB 4.48Å; F34-I376 HydrophobicContact CB-CD1 4.14Å; F34-I376 HydrophobicContact CB-CG2 4.09Å; F34-I376 HydrophobicContact CD1-CG2 4.47Å; F34-I376 HydrophobicContact CD2-CD1 3.39Å; F34-I376 HydrophobicContact CE2-CD1 3.9Å; F34-I376 HydrophobicContact CG-CD1 3.77Å; F34-I376 HydrophobicContact CG-CG2 4.25Å; I90-I376 HydrophobicContact CD1-CG2 3.99Å; I368-I376 PolarHBondContact O-N 2.84Å; W370-I376 HydrophobicContact CB-CD1 3.71Å; W370-I376 HydrophobicContact CB-CG1 3.43Å; W370-I376 VanDerWaalsContact CB-CG1 3.43Å; W370-I376 HydrophobicContact CD2-CD1 4.39Å; W370-I376 HydrophobicContact CE3-CD1 4.06Å; W370-I376 HydrophobicContact CG-CD1 4.3Å; W370-I376 HydrophobicContact CG-CG1 4.31Å; L374-I376 PolarHBondContact O-N 2.99Å
377F94.2Very high88.8Confident0 Ų025.9 Ų25.90%014%0.138CC..EExtended strand (participates in β ladder)trans-130.4148.3175.2-59.8-98.9000109.4F30 L31 I90 T169 F171 A324 S367 I368F30-F377 HydrophobicContact CD1-CD1 4.46Å; F30-F377 HydrophobicContact CE1-CB 4.09Å; F30-F377 AromaticContact CE1-CD1 3.45Å; F30-F377 HydrophobicContact CE1-CD1 3.45Å; F30-F377 VanDerWaalsContact CE1-CD1 3.45Å; F30-F377 HydrophobicContact CE1-CE1 4.19Å; F30-F377 HydrophobicContact CE1-CG 4.07Å; F30-F377 HydrophobicContact CE2-CB 3.79Å; F30-F377 HydrophobicContact CZ-CB 3.35Å; F30-F377 AromaticContact CZ-CD1 3.6Å; F30-F377 HydrophobicContact CZ-CD1 3.6Å; F30-F377 AromaticContact CZ-CG 3.71Å; F30-F377 HydrophobicContact CZ-CG 3.71Å; L31-F377 VanDerWaalsContact O-CA 3.31Å; L31-F377 WeakPolarHBondContact O-CA 3.34Å; I90-F377 HydrophobicContact CD1-CE2 4.04Å; I90-F377 HydrophobicContact CG1-CE2 4.45Å; T169-F377 HydrophobicContact CG2-CE1 4.5Å; T169-F377 WeakPolarHBondContact OG1-CE1 3.44Å; F171-F377 HydrophobicContact CB-CD2 4.34Å; F171-F377 HydrophobicContact CB-CE1 4.35Å; F171-F377 HydrophobicContact CB-CE2 3.68Å; F171-F377 HydrophobicContact CB-CZ 3.69Å; F171-F377 AromaticContact CD2-CE2 3.94Å; F171-F377 HydrophobicContact CD2-CE2 3.94Å; F171-F377 HydrophobicContact CG-CE2 4.13Å; A324-F377 HydrophobicContact CB-CD1 4.14Å; A324-F377 HydrophobicContact CB-CE1 4.15Å; S367-F377 CarbonylContact C-O 3.57Å; S367-F377 WeakPolarHBondContact CA-O 3.4Å; S367-F377 WeakPolarHBondContact CB-O 3.49Å; S367-F377 PolarHBondContact OG-O 2.95Å; I368-F377 HydrophobicContact CB-CB 4.08Å; I368-F377 HydrophobicContact CB-CD2 4Å; I368-F377 HydrophobicContact CB-CG 4.49Å; I368-F377 HydrophobicContact CD1-CB 4.09Å; I368-F377 HydrophobicContact CD1-CD2 3.78Å; I368-F377 HydrophobicContact CD1-CG 4.06Å; I368-F377 HydrophobicContact CG1-CB 4.18Å; I368-F377 HydrophobicContact CG1-CD2 4.38Å; I368-F377 HydrophobicContact CG2-CD2 4.39Å; I368-F377 PolarHBondContact N-O 3.14Å; I368-F377 PolarHBondContact O-N 2.84Å
378L94.2Very high88.5Confident2 Ų227.2 Ų27.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-151.5164.9170.259.873.4000111.4T11 Y15 L31 P33 F365 I366T11-L378 HydrophobicContact CG2-CD2 3.3Å; T11-L378 HydrophobicContact CG2-CG 4.5Å; Y15-L378 HydrophobicContact CD1-CD1 4.1Å; Y15-L378 HydrophobicContact CD2-CD1 3.18Å; Y15-L378 HydrophobicContact CE1-CD1 4.32Å; Y15-L378 HydrophobicContact CE2-CD1 3.45Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.45Å; Y15-L378 HydrophobicContact CG-CD1 3.52Å; L31-L378 HydrophobicContact CD1-CD1 3.91Å; L31-L378 HydrophobicContact CD1-CG 4.48Å; L31-L378 HydrophobicContact CG-CD1 4.21Å; L31-L378 PolarHBondContact N-O 3.39Å; L31-L378 PolarHBondContact O-N 3.37Å; P33-L378 HydrophobicContact CG-CD1 4.23Å; P33-L378 HydrophobicContact CG-CD2 3.74Å; P33-L378 HydrophobicContact CG-CG 3.64Å; F365-L378 HydrophobicContact CE2-CB 4.21Å; F365-L378 HydrophobicContact CZ-CB 3.83Å; I366-L378 CarbonylContact O-C 3.53Å; I366-L378 VanDerWaalsContact O-CA 3.32Å; I366-L378 WeakPolarHBondContact O-CA 3.42Å
379G92.8Very high88.1Confident0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans167.4-175-178.100000113T29 F365 I366T29-G379 CarbonylContact O-C 3.49Å; T29-G379 WeakPolarHBondContact O-CA 3.49Å; F365-G379 WeakPolarHBondContact CD2-O 3.25Å; F365-G379 WeakPolarHBondContact CE2-O 3.38Å; I366-G379 PolarHBondContact N-O 3.05Å; I366-G379 PolarHBondContact O-N 3.39Å; I366-G379 VanDerWaalsContact O-O 3.13Å
380H93.4Very high87.7Confident0 Ų030.2 Ų30.20%016%0.161CC..EExtended strand (participates in β ladder)trans-137.1146.9174.959.4-89000110.3Y15 W26 E27 N28 T29 L243 L247 F364Y15-H380 AromaticContact CZ-ND1 3.89Å; Y15-H380 PolarHBondContact OH-ND1 2.94Å; W26-H380 AromaticContact CE3-NE2 3.67Å; E27-H380 PolarHBondContact O-NE2 2.77Å; N28-H380 WeakPolarHBondContact CA-O 3.17Å; T29-H380 VanDerWaalsContact CB-CE1 3.41Å; T29-H380 WeakPolarHBondContact CB-CE1 3.42Å; T29-H380 PolarHBondContact N-O 2.89Å; T29-H380 PolarHBondContact O-N 2.89Å; T29-H380 PolarHBondContact OG1-CE1 2.69Å; L243-H380 HydrophobicContact CD1-CB 4.08Å; L243-H380 HydrophobicContact CD2-CB 3.97Å; L247-H380 HydrophobicContact CD1-CB 4.35Å; F364-H380 WeakPolarHBondContact O-CA 3.44Å
381V93.1Very high87.3Confident0 Ų031.5 Ų31.50%017%0.169CC..EExtended strand (participates in β ladder)trans-111.6115.3179-177.10000107.4N28 F276 L278 P363 F364 I366N28-V381 WeakPolarHBondContact OD1-CA 3.22Å; F276-V381 HydrophobicContact CD2-CG2 4.31Å; F276-V381 HydrophobicContact CE2-CG2 3.94Å; F276-V381 HydrophobicContact CZ-CG2 4.21Å; L278-V381 HydrophobicContact CD1-CG2 4.07Å; L278-V381 HydrophobicContact CD2-CG2 4.26Å; P363-V381 WeakPolarHBondContact CA-O 3.46Å; F364-V381 HydrophobicContact CD1-CB 4.08Å; F364-V381 HydrophobicContact CE1-CB 3.63Å; F364-V381 HydrophobicContact CE1-CG1 3.79Å; F364-V381 HydrophobicContact CE1-CG2 4.24Å; F364-V381 HydrophobicContact CE2-CB 4.17Å; F364-V381 HydrophobicContact CE2-CG2 3.96Å; F364-V381 HydrophobicContact CZ-CB 3.68Å; F364-V381 HydrophobicContact CZ-CG1 3.98Å; F364-V381 HydrophobicContact CZ-CG2 3.76Å; F364-V381 PolarHBondContact N-O 3.2Å; F364-V381 VanDerWaalsContact N-O 3.09Å; F364-V381 PolarHBondContact O-N 2.74Å; I366-V381 HydrophobicContact CD1-CG2 4.11Å
382T92.8Very high86.9Confident10 Ų1029.1 Ų29.16%0.06116%0.156CC..SBendtrans-94.3-30.617360.10000112.4W26 N28 F189 L192 L243W26-T382 HydrophobicContact CB-CG2 3.8Å; W26-T382 VanDerWaalsContact O-CG2 3.31Å; W26-T382 WeakPolarHBondContact O-CG2 3.4Å; W26-T382 PolarHBondContact O-OG1 2.85Å; N28-T382 PolarHBondContact OD1-N 2.9Å; N28-T382 PolarHBondContact OD1-OG1 2.75Å; F189-T382 WeakPolarHBondContact CE1-O 3.43Å; L192-T382 HydrophobicContact CD1-CG2 3.85Å; L243-T382 HydrophobicContact CD2-CG2 3.92Å
383S90.5Very high86.7Confident0 Ų025.2 Ų25.20%014%0.135CC..  trans-146.7124.9172.9168.40000110.5N28 L197 L385 N386N28-S383 PolarHBondContact ND2-O 2.95Å; N28-S383 PolarHBondContact OD1-N 3.31Å; N28-S383 VanDerWaalsContact OD1-N 3.12Å; N28-S383 PolarHBondContact OD1-O 3.37Å; L197-S383 WeakPolarHBondContact CD1-OG 3.43Å; S383-L385 PolarHBondContact O-N 3.18Å; S383-L385 PolarHBondContact OG-N 3.13Å; S383-N386 PolarHBondContact O-N 2.88Å; S383-N386 PolarHBondContact OG-N 3.03Å; S383-N386 PolarHBondContact OG-OD1 2.89Å
384P85.4Confident86.5Confident5 Ų522.6 Ų22.63%0.03212%0.115CC..THydrogen-bonded Turntrans-74.2-13.4179.731-36.5000113.7F189 V199 P274 F276F189-P384 HydrophobicContact CD1-CG 4.29Å; F189-P384 HydrophobicContact CD2-CG 4Å; F189-P384 HydrophobicContact CE2-CG 4.26Å; F189-P384 HydrophobicContact CG-CG 4.01Å; V199-P384 HydrophobicContact CB-CG 4.25Å; V199-P384 HydrophobicContact CG1-CG 3.51Å; P274-P384 HydrophobicContact CB-CB 4.28Å; F276-P384 HydrophobicContact CB-CB 3.69Å
385L82.8Confident85.9Confident70 Ų7023.6 Ų23.637%0.36612%0.119SC..THydrogen-bonded Turntrans-100.8-7178.3-64.2-179.7000113.5L197 V199 S383 H387L197-L385 HydrophobicContact CB-CD1 4.25Å; V199-L385 HydrophobicContact CG1-CD1 4.3Å; V199-L385 HydrophobicContact CG1-CG 4.16Å; S383-L385 PolarHBondContact O-N 3.18Å; S383-L385 PolarHBondContact OG-N 3.13Å; L385-H387 PolarHBondContact O-CD2 2.99Å; L385-H387 PolarHBondContact O-N 2.82Å
386N62.3Low85.3Confident87 Ų8725.6 Ų25.647%0.46513%0.129SC..  trans-68.792.8170.1-77.3-0.1000107.1S383S383-N386 PolarHBondContact O-N 2.88Å; S383-N386 PolarHBondContact OG-N 3.03Å; S383-N386 PolarHBondContact OG-OD1 2.89Å
387H48Very low84.5Confident133 Ų13327.9 Ų27.962%0.61614%0.141SC*.  trans-64.90177.1-71-54.3000108.9E280 L385E280-H387 WeakPolarHBondContact CA-OXT 3.3Å; E280-H387 VanDerWaalsContact CB-C 3.43Å; E280-H387 WeakPolarHBondContact CB-OXT 3.49Å; E280-H387 WeakPolarHBondContact CG-OXT 3.39Å; E280-H387 PolarHBondContact N-OXT 2.69Å; E280-H387 VanDerWaalsContact N-OXT 3.14Å; E280-H387 WeakPolarHBondContact OE2-CB 3.49Å; L385-H387 PolarHBondContact O-CD2 2.99Å; L385-H387 PolarHBondContact O-N 2.82Å

Retrieved 387 of 387 residues in 719.7 ms (Link to these results)

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