A0A3Q0KGR1_SCHMA Loading...

Serpin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KGR1, 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
1M64.2Low87Confident118 Ų11843.2 Ų43.258%0.58121%0.21SC*.  0121.70-67.8-171.6-60.800107.3L4 E73 L77M1-L4 HydrophobicContact CB-CB 4.09Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-E73 WeakPolarHBondContact CB-OE2 3.37Å; M1-L77 HydrophobicContact CE-CD2 3.84Å
2E76.3Confident87.5Confident79 Ų7942.1 Ų42.137%0.36921%0.206SC..Hα-helixtrans-75.9-32-176.3-175.1160-15900111.3L4 K5 S6 S62 L65 E73E2-L4 PolarHBondContact O-N 3.19Å; E2-K5 PolarHBondContact O-N 3.11Å; E2-K5 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 3.5Å; E2-S6 PolarHBondContact O-OG 2.86Å; E2-S62 WeakPolarHBondContact OE1-CB 3.27Å; E2-S62 PolarHBondContact OE1-OG 3.15Å; E2-L65 HydrophobicContact CB-CD1 3.78Å; E2-L65 HydrophobicContact CG-CD1 3.47Å; E2-L65 VanDerWaalsContact CG-CD1 3.47Å; E2-L65 WeakPolarHBondContact OE2-CD1 2.88Å; E2-L65 WeakPolarHBondContact OE2-CG 3.5Å; E2-E73 PolarHBondContact N-OE2 2.73Å
3A82.8Confident87.9Confident0 Ų044.9 Ų44.90%021%0.213CC..Hα-helixtrans-59.6-32.7171.100000112.7S6 L7 E73A3-S6 VanDerWaalsContact CA-OG 3.24Å; A3-S6 WeakPolarHBondContact CA-OG 3.15Å; A3-S6 PolarHBondContact O-OG 2.81Å; A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.36Å; A3-E73 HydrophobicContact CB-CB 3.59Å; A3-E73 HydrophobicContact CB-CG 4.44Å; A3-E73 WeakPolarHBondContact CB-OE2 3.32Å; A3-E73 PolarHBondContact N-OE2 3.14Å
4L86.6Confident88.4Confident48 Ų4841.7 Ų41.725%0.25120%0.198SC..Hα-helixtrans-67.4-41.6175.7-179.364000111.2M1 E2 T8 L374M1-L4 HydrophobicContact CB-CB 4.09Å; M1-L4 PolarHBondContact O-N 3.4Å; E2-L4 PolarHBondContact O-N 3.19Å; L4-T8 WeakPolarHBondContact O-CB 3.39Å; L4-T8 PolarHBondContact O-N 3.24Å; L4-T8 PolarHBondContact O-OG1 3.16Å; L4-L374 HydrophobicContact CD1-CB 4.26Å; L4-L374 HydrophobicContact CD1-CD1 3.54Å; L4-L374 HydrophobicContact CD1-CD2 3.91Å; L4-L374 HydrophobicContact CD1-CG 4.1Å
5K88.8Confident88.7Confident142 Ų14240.1 Ų40.162%0.61719%0.189SC*.Hα-helixtrans-68.5-45.9177.9-175.5-178.5177.8-175.60110.8E2 T8 N9E2-K5 PolarHBondContact O-N 3.11Å; E2-K5 VanDerWaalsContact O-N 3.09Å; K5-T8 PolarHBondContact O-N 3Å; K5-N9 PolarHBondContact O-N 3.22Å
6S91.7Very high88.9Confident3 Ų340.4 Ų40.42%0.02119%0.19CC..Hα-helixtrans-63.8-42.1177.8640000111.7E2 A3 T8 N9 F10 Y37 M59 Q60E2-S6 PolarHBondContact O-N 3.5Å; E2-S6 PolarHBondContact O-OG 2.86Å; A3-S6 VanDerWaalsContact CA-OG 3.24Å; A3-S6 WeakPolarHBondContact CA-OG 3.15Å; A3-S6 PolarHBondContact O-OG 2.81Å; S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.03Å; S6-N9 PolarHBondContact O-N 2.83Å; S6-F10 VanDerWaalsContact O-CB 3.24Å; S6-F10 WeakPolarHBondContact O-CB 3.16Å; S6-F10 PolarHBondContact O-N 3.45Å; S6-Y37 PolarHBondContact OG-OH 2.94Å; S6-M59 WeakPolarHBondContact CB-O 3.47Å; S6-Q60 WeakPolarHBondContact CB-O 3.36Å
7L93.3Very high89.1Confident1 Ų139.5 Ų39.51%0.00519%0.187CC..Hα-helixtrans-59.3-42.7173.5167.958.5000112A3 F10 T11 F34 Y37 L77 L374A3-L7 WeakPolarHBondContact O-CB 3.44Å; A3-L7 PolarHBondContact O-N 3.36Å; L7-F10 PolarHBondContact O-N 3.32Å; L7-T11 VanDerWaalsContact O-CB 3.27Å; L7-T11 WeakPolarHBondContact O-CB 3.47Å; L7-T11 PolarHBondContact O-N 3.47Å; L7-T11 PolarHBondContact O-OG1 2.9Å; L7-F34 HydrophobicContact CD1-CD2 4.5Å; L7-F34 HydrophobicContact CD2-CD2 3.56Å; L7-F34 HydrophobicContact CD2-CE2 4.09Å; L7-Y37 HydrophobicContact CB-CD1 4.3Å; L7-Y37 HydrophobicContact CB-CD2 4.34Å; L7-Y37 HydrophobicContact CB-CE1 4.28Å; L7-Y37 HydrophobicContact CB-CE2 4.3Å; L7-Y37 HydrophobicContact CB-CG 4.34Å; L7-Y37 HydrophobicContact CD1-CD1 4.11Å; L7-Y37 HydrophobicContact CD1-CD2 4.02Å; L7-Y37 HydrophobicContact CD1-CG 3.63Å; L7-L77 HydrophobicContact CD2-CD1 4.43Å; L7-L374 HydrophobicContact CD2-CD1 3.63Å; L7-L374 HydrophobicContact CD2-CD2 3.93Å; L7-L374 HydrophobicContact CD2-CG 4.31Å; L7-L374 HydrophobicContact CG-CD1 4.03Å
8T92.1Very high89.3Confident17 Ų1738.2 Ų38.210%0.10418%0.181CC..Hα-helixtrans-64.1-47.6178.3-57.90000111.1L4 K5 S6 F10 T11 D12 S257L4-T8 WeakPolarHBondContact O-CB 3.39Å; L4-T8 PolarHBondContact O-N 3.24Å; L4-T8 PolarHBondContact O-OG1 3.16Å; K5-T8 PolarHBondContact O-N 3Å; S6-T8 VanDerWaalsContact C-N 3.33Å; S6-T8 PolarHBondContact O-N 3.03Å; T8-F10 PolarHBondContact O-N 2.93Å; T8-T11 WeakPolarHBondContact O-CB 3.18Å; T8-T11 PolarHBondContact O-N 3.14Å; T8-D12 PolarHBondContact O-N 3.21Å; T8-D12 VanDerWaalsContact O-N 3.09Å; T8-S257 WeakPolarHBondContact CG2-OG 3.03Å
9N92.3Very high89.3Confident66 Ų6637.1 Ų37.135%0.35318%0.176SC..Hα-helixtrans-63-42.1176.2-68.5-12.7000112.3K5 S6 T11 D12 R13 Q60K5-N9 PolarHBondContact O-N 3.22Å; S6-N9 PolarHBondContact O-N 2.83Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact O-N 2.91Å; N9-D12 PolarHBondContact O-N 3.32Å; N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 PolarHBondContact O-N 2.79Å; N9-R13 VanDerWaalsContact O-N 3.09Å; N9-Q60 HydrophobicContact CB-CB 3.95Å; N9-Q60 HydrophobicContact CB-CG 3.98Å
10F94.4Very high89.3Confident1 Ų140 Ų400%0.00419%0.192CC..Hα-helixtrans-59.5-43.9174.2170.6-96.5000110.7S6 L7 T8 R13 F14 I36 Y37 L40 L293S6-F10 VanDerWaalsContact O-CB 3.24Å; S6-F10 WeakPolarHBondContact O-CB 3.16Å; S6-F10 PolarHBondContact O-N 3.45Å; L7-F10 PolarHBondContact O-N 3.32Å; T8-F10 PolarHBondContact O-N 2.93Å; F10-R13 PolarHBondContact O-N 3.1Å; F10-F14 HydrophobicContact CE1-CB 4.13Å; F10-F14 HydrophobicContact CE1-CG 4.3Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CZ-CB 3.98Å; F10-F14 HydrophobicContact CZ-CD2 4.14Å; F10-F14 AromaticContact CZ-CG 3.99Å; F10-F14 HydrophobicContact CZ-CG 3.99Å; F10-F14 WeakPolarHBondContact O-CB 3.21Å; F10-F14 PolarHBondContact O-N 2.81Å; F10-I36 HydrophobicContact CE1-CG2 4.11Å; F10-I36 HydrophobicContact CZ-CG2 3.87Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.15Å; F10-Y37 AromaticContact CD1-CD2 3.68Å; F10-Y37 HydrophobicContact CD1-CD2 3.68Å; F10-Y37 HydrophobicContact CD1-CG 4.39Å; F10-Y37 HydrophobicContact CD2-CD2 4.47Å; F10-Y37 HydrophobicContact CE1-CD2 4.34Å; F10-Y37 AromaticContact CG-CD2 3.76Å; F10-Y37 HydrophobicContact CG-CD2 3.76Å; F10-Y37 HydrophobicContact CG-CE2 4.37Å; F10-L40 HydrophobicContact CD2-CD1 4.47Å; F10-L40 HydrophobicContact CE1-CD1 4.49Å; F10-L40 HydrophobicContact CE2-CD1 3.53Å; F10-L40 HydrophobicContact CZ-CD1 3.55Å; F10-L293 HydrophobicContact CD2-CD1 4.41Å; F10-L293 HydrophobicContact CE2-CD1 3.76Å
11T94.5Very high89.2Confident0 Ų040.1 Ų40.10%019%0.193CC..Hα-helixtrans-58.5-50.9179.9-65.30000111.6L7 T8 N9 Y15 P33 P375 L378L7-T11 VanDerWaalsContact O-CB 3.27Å; L7-T11 WeakPolarHBondContact O-CB 3.47Å; L7-T11 PolarHBondContact O-N 3.47Å; L7-T11 PolarHBondContact O-OG1 2.9Å; T8-T11 WeakPolarHBondContact O-CB 3.18Å; T8-T11 PolarHBondContact O-N 3.14Å; N9-T11 VanDerWaalsContact C-N 3.3Å; N9-T11 PolarHBondContact O-N 2.91Å; T11-Y15 WeakPolarHBondContact O-CB 3.48Å; T11-Y15 PolarHBondContact O-N 3.36Å; T11-P33 HydrophobicContact CG2-CB 3.74Å; T11-P33 HydrophobicContact CG2-CG 3.66Å; T11-P33 WeakPolarHBondContact OG1-CB 3.49Å; T11-P375 HydrophobicContact CG2-CB 4.45Å; T11-P375 HydrophobicContact CG2-CG 3.84Å; T11-L378 HydrophobicContact CG2-CD2 3.34Å; T11-L378 HydrophobicContact CG2-CG 4.5Å
12D92.9Very high90.1Very high30 Ų3035.9 Ų35.916%0.1618%0.175CC..Hα-helixtrans-63.4-45.2-179.5-71.1-36000111.3T8 N9 E16 G255 I256T8-D12 PolarHBondContact O-N 3.21Å; T8-D12 VanDerWaalsContact O-N 3.09Å; N9-D12 PolarHBondContact O-N 3.32Å; D12-E16 WeakPolarHBondContact O-CB 3.45Å; D12-E16 PolarHBondContact O-N 3.26Å; D12-E16 VanDerWaalsContact O-N 3.07Å; D12-G255 WeakPolarHBondContact OD1-CA 3.41Å; D12-I256 PolarHBondContact OD1-N 3.12Å
13R93.2Very high90.3Very high79 Ų7940 Ų4030%0.29819%0.194SC..Hα-helixtrans-68.1-41179.5-174.6177176.7-156.2-10.4113.1N9 F10 L17 L293N9-R13 WeakPolarHBondContact O-CB 3.36Å; N9-R13 PolarHBondContact O-N 2.79Å; N9-R13 VanDerWaalsContact O-N 3.09Å; F10-R13 PolarHBondContact O-N 3.1Å; R13-L17 PolarHBondContact O-N 3.48Å; R13-L17 VanDerWaalsContact O-N 3.12Å; R13-L293 HydrophobicContact CG-CD2 4.02Å; R13-L293 PolarHBondContact NH2-O 2.8Å
14F94.5Very high89.9Confident0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-69.2-42.2179.9179.3-104.8000110.8F10 L17 I18 L31 I36 L286 H289 L293F10-F14 HydrophobicContact CE1-CB 4.13Å; F10-F14 HydrophobicContact CE1-CG 4.3Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CZ-CB 3.98Å; F10-F14 HydrophobicContact CZ-CD2 4.14Å; F10-F14 AromaticContact CZ-CG 3.99Å; F10-F14 HydrophobicContact CZ-CG 3.99Å; F10-F14 WeakPolarHBondContact O-CB 3.21Å; F10-F14 PolarHBondContact O-N 2.81Å; F14-L17 WeakPolarHBondContact O-CB 3.18Å; F14-L17 PolarHBondContact O-N 3.18Å; F14-I18 HydrophobicContact CD1-CG1 4.32Å; F14-I18 HydrophobicContact CE1-CD1 4.21Å; F14-I18 HydrophobicContact CE1-CG1 3.89Å; F14-I18 HydrophobicContact CE2-CD1 4.33Å; F14-I18 HydrophobicContact CE2-CG1 4.42Å; F14-I18 HydrophobicContact CZ-CD1 3.82Å; F14-I18 HydrophobicContact CZ-CG1 3.94Å; F14-I18 WeakPolarHBondContact O-CG1 3.15Å; F14-I18 PolarHBondContact O-N 2.88Å; F14-L31 HydrophobicContact CD1-CD1 4.47Å; F14-L31 HydrophobicContact CE1-CD1 4.25Å; F14-L31 HydrophobicContact CE1-CD2 4Å; F14-I36 HydrophobicContact CD1-CD1 4.23Å; F14-I36 HydrophobicContact CE1-CD1 3.37Å; F14-I36 HydrophobicContact CZ-CD1 3.75Å; F14-L286 HydrophobicContact CE2-CD2 4.49Å; F14-L286 HydrophobicContact CZ-CD2 3.85Å; F14-H289 HydrophobicContact CE2-CB 4.2Å; F14-L293 HydrophobicContact CB-CD1 4.43Å; F14-L293 HydrophobicContact CD2-CD1 3.85Å
15Y93Very high89.6Confident18 Ų1847 Ų477%0.07124%0.238CC..Hα-helixtrans-65.7-40176.8-171.4-125.4000112T11 L17 I18 I19 T29 L247 F365 L378 G379 H380T11-Y15 WeakPolarHBondContact O-CB 3.48Å; T11-Y15 PolarHBondContact O-N 3.36Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.41Å; Y15-I18 PolarHBondContact O-N 2.85Å; Y15-I18 VanDerWaalsContact O-N 3.17Å; Y15-I19 HydrophobicContact CD1-CG1 4.32Å; Y15-I19 HydrophobicContact CD2-CD1 4.45Å; Y15-I19 HydrophobicContact CD2-CG1 4.46Å; Y15-I19 HydrophobicContact CE1-CD1 4.25Å; Y15-I19 HydrophobicContact CE1-CG1 4.08Å; Y15-I19 HydrophobicContact CE2-CD1 3.83Å; Y15-I19 HydrophobicContact CE2-CG1 4.24Å; Y15-I19 WeakPolarHBondContact O-CG1 3.21Å; Y15-I19 PolarHBondContact O-N 3.15Å; Y15-T29 HydrophobicContact CE2-CG2 4.27Å; Y15-L247 HydrophobicContact CE1-CD2 3.95Å; Y15-F365 HydrophobicContact CD1-CE2 4.36Å; Y15-F365 AromaticContact CE1-CD2 3.98Å; Y15-F365 HydrophobicContact CE1-CD2 3.98Å; Y15-F365 AromaticContact CE1-CE2 3.57Å; Y15-F365 HydrophobicContact CE1-CE2 3.57Å; Y15-F365 AromaticContact CZ-CE2 3.96Å; Y15-L378 HydrophobicContact CD1-CD1 3.94Å; Y15-L378 HydrophobicContact CD2-CD1 3.15Å; Y15-L378 HydrophobicContact CE1-CD1 4.22Å; Y15-L378 HydrophobicContact CE2-CD1 3.49Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.49Å; Y15-L378 HydrophobicContact CG-CD1 3.38Å; Y15-L378 HydrophobicContact CG-CD2 4.49Å; Y15-G379 VanDerWaalsContact OH-C 3.22Å; Y15-G379 WeakPolarHBondContact OH-CA 3.43Å; Y15-H380 AromaticContact CZ-ND1 3.93Å; Y15-H380 PolarHBondContact OH-ND1 3.34Å
16E91.9Very high89.3Confident44 Ų4443.2 Ų43.221%0.20622%0.22CC..Hα-helixtrans-54.9-46172.3-171.4-15117700111.7D12 I18 I19 N20 Y251D12-E16 WeakPolarHBondContact O-CB 3.45Å; D12-E16 PolarHBondContact O-N 3.26Å; D12-E16 VanDerWaalsContact O-N 3.07Å; E16-I18 PolarHBondContact O-N 2.96Å; E16-I19 PolarHBondContact O-N 2.78Å; E16-N20 WeakPolarHBondContact O-CB 3.45Å; E16-N20 PolarHBondContact O-N 3.11Å; E16-N20 PolarHBondContact O-ND2 2.84Å; E16-N20 PolarHBondContact OE1-ND2 2.96Å; E16-Y251 HydrophobicContact CB-CD2 3.79Å; E16-Y251 HydrophobicContact CB-CE2 4.12Å; E16-Y251 HydrophobicContact CB-CG 4.29Å; E16-Y251 VanDerWaalsContact CD-CD2 3.49Å; E16-Y251 VanDerWaalsContact CD-CE1 3.43Å; E16-Y251 HydrophobicContact CG-CD1 4.09Å; E16-Y251 HydrophobicContact CG-CD2 3.62Å; E16-Y251 HydrophobicContact CG-CE1 4.32Å; E16-Y251 HydrophobicContact CG-CE2 3.88Å; E16-Y251 HydrophobicContact CG-CG 3.71Å; E16-Y251 WeakPolarHBondContact OE1-CD1 3.36Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.34Å; E16-Y251 PolarHBondContact OE1-OH 2.94Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.27Å; E16-Y251 PolarHBondContact OE2-OH 3.44Å
17L93Very high89.1Confident26 Ų2650 Ų5014%0.13625%0.251CS..Hα-helixtrans-57.1-49.5176.4178.570.4000111.3R13 F14 Y15 I19 N20 E21 H289 K292 L293R13-L17 PolarHBondContact O-N 3.48Å; R13-L17 VanDerWaalsContact O-N 3.12Å; F14-L17 WeakPolarHBondContact O-CB 3.18Å; F14-L17 PolarHBondContact O-N 3.18Å; Y15-L17 VanDerWaalsContact C-N 3.29Å; Y15-L17 PolarHBondContact O-N 3.41Å; L17-I19 VanDerWaalsContact C-N 3.29Å; L17-I19 PolarHBondContact O-N 3.36Å; L17-N20 PolarHBondContact O-N 3.01Å; L17-E21 HydrophobicContact CD1-CG 4.5Å; L17-E21 WeakPolarHBondContact O-CG 3.02Å; L17-E21 PolarHBondContact O-N 3.47Å; L17-H289 HydrophobicContact CD2-CB 4.02Å; L17-H289 WeakPolarHBondContact CD2-O 3.32Å; L17-K292 HydrophobicContact CD1-CB 3.84Å; L17-K292 HydrophobicContact CD1-CD 3.94Å; L17-K292 HydrophobicContact CD2-CB 4.14Å; L17-L293 HydrophobicContact CD2-CD2 3.97Å; L17-L293 HydrophobicContact CD2-CG 3.89Å
18I91.4Very high88.9Confident15 Ų1551.7 Ų51.78%0.07726%0.261CS..Hα-helixtrans-58.4-42.8178.5-63.7-71.6000111F14 Y15 E16 E21 S22 T29 L31 H289F14-I18 HydrophobicContact CD1-CG1 4.32Å; F14-I18 HydrophobicContact CE1-CD1 4.21Å; F14-I18 HydrophobicContact CE1-CG1 3.89Å; F14-I18 HydrophobicContact CE2-CD1 4.33Å; F14-I18 HydrophobicContact CE2-CG1 4.42Å; F14-I18 HydrophobicContact CZ-CD1 3.82Å; F14-I18 HydrophobicContact CZ-CG1 3.94Å; F14-I18 WeakPolarHBondContact O-CG1 3.15Å; F14-I18 PolarHBondContact O-N 2.88Å; Y15-I18 PolarHBondContact O-N 2.85Å; Y15-I18 VanDerWaalsContact O-N 3.17Å; E16-I18 PolarHBondContact O-N 2.96Å; I18-E21 PolarHBondContact O-N 2.59Å; I18-S22 PolarHBondContact O-N 2.94Å; I18-T29 HydrophobicContact CG2-CG2 4.08Å; I18-L31 HydrophobicContact CD1-CD2 4.45Å; I18-L31 HydrophobicContact CG1-CD2 4.01Å; I18-L31 HydrophobicContact CG2-CD2 4.25Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.41Å
19I89.4Confident88.7Confident18 Ų1852.3 Ų52.39%0.09226%0.264CS..Hα-helixtrans-63.9-45177.1-66-42.6000111.7Y15 E16 L17 E21 S22 W26 L247 H380Y15-I19 HydrophobicContact CD1-CG1 4.32Å; Y15-I19 HydrophobicContact CD2-CD1 4.45Å; Y15-I19 HydrophobicContact CD2-CG1 4.46Å; Y15-I19 HydrophobicContact CE1-CD1 4.25Å; Y15-I19 HydrophobicContact CE1-CG1 4.08Å; Y15-I19 HydrophobicContact CE2-CD1 3.83Å; Y15-I19 HydrophobicContact CE2-CG1 4.24Å; Y15-I19 WeakPolarHBondContact O-CG1 3.21Å; Y15-I19 PolarHBondContact O-N 3.15Å; E16-I19 PolarHBondContact O-N 2.78Å; L17-I19 VanDerWaalsContact C-N 3.29Å; L17-I19 PolarHBondContact O-N 3.36Å; I19-E21 PolarHBondContact O-N 3.3Å; I19-S22 WeakPolarHBondContact O-CB 3.16Å; I19-S22 PolarHBondContact O-N 3.03Å; I19-S22 PolarHBondContact O-OG 3.48Å; I19-W26 HydrophobicContact CD1-CZ3 4.19Å; I19-W26 HydrophobicContact CG2-CH2 3.53Å; I19-W26 HydrophobicContact CG2-CZ3 3.69Å; I19-L247 HydrophobicContact CD1-CD1 3.98Å; I19-L247 HydrophobicContact CG1-CD1 4.4Å; I19-L247 HydrophobicContact CG2-CB 4.47Å; I19-H380 WeakPolarHBondContact CD1-CE1 3.44Å
20N89.9Confident88.5Confident94 Ų9449.4 Ų49.450%0.50325%0.248SC..Hα-helixtrans-65.1-30.1-179.9-73.1-26.1000112.5E16 L17 S22E16-N20 WeakPolarHBondContact O-CB 3.45Å; E16-N20 PolarHBondContact O-N 3.11Å; E16-N20 PolarHBondContact O-ND2 2.84Å; E16-N20 PolarHBondContact OE1-ND2 2.96Å; L17-N20 PolarHBondContact O-N 3.01Å; N20-S22 VanDerWaalsContact C-N 3.32Å
21E87.5Confident88.4Confident44 Ų4449.3 Ų49.321%0.20625%0.248CC..Hα-helixtrans-75.7-17.3176.7-71.7-168.4-15400114.3L17 I18 I19 H23 H289 K292L17-E21 HydrophobicContact CD1-CG 4.5Å; L17-E21 WeakPolarHBondContact O-CG 3.02Å; L17-E21 PolarHBondContact O-N 3.47Å; I18-E21 PolarHBondContact O-N 2.59Å; I19-E21 PolarHBondContact O-N 3.3Å; E21-H23 PolarHBondContact O-CD2 3.02Å; E21-H23 PolarHBondContact O-N 3.43Å; E21-H23 VanDerWaalsContact O-N 3.15Å; E21-H289 IonicContact OE1-CD2 2.72Å; E21-H289 PolarHBondContact OE1-CD2 3.33Å; E21-H289 IonicContact OE2-CD2 2.62Å; E21-H289 PolarHBondContact OE2-CD2 2.62Å; E21-H289 VanDerWaalsContact OE2-CD2 3.26Å; E21-H289 IonicContact OE2-NE2 3.64Å; E21-H289 PolarHBondContact OE2-NE2 2.69Å; E21-K292 WeakPolarHBondContact OE1-CD 2.97Å; E21-K292 WeakPolarHBondContact OE1-CE 3.37Å; E21-K292 IonicContact OE1-NZ 3.98Å; E21-K292 PolarHBondContact OE1-NZ 2.95Å; E21-K292 IonicContact OE2-NZ 3.99Å; E21-K292 PolarHBondContact OE2-NZ 3.39Å
22S82.7Confident88.4Confident28 Ų2849.3 Ų49.320%0.19625%0.248CC..THydrogen-bonded Turntrans-63.6-17.8174.672.30000112.8I18 I19 N20 G24 Q25I18-S22 PolarHBondContact O-N 2.94Å; I19-S22 WeakPolarHBondContact O-CB 3.16Å; I19-S22 PolarHBondContact O-N 3.03Å; I19-S22 PolarHBondContact O-OG 3.48Å; N20-S22 VanDerWaalsContact C-N 3.32Å; S22-G24 PolarHBondContact O-N 2.79Å; S22-Q25 WeakPolarHBondContact O-CA 3.31Å; S22-Q25 VanDerWaalsContact O-CB 3.31Å; S22-Q25 WeakPolarHBondContact O-CB 3.18Å; S22-Q25 PolarHBondContact O-N 2.68Å
23H79.8Confident88.5Confident165 Ų16547.9 Ų47.976%0.76424%0.24SC*.THydrogen-bonded Turntrans48.931.2-178.6-63.1-65000113.9E21 Q25E21-H23 PolarHBondContact O-CD2 3.02Å; E21-H23 PolarHBondContact O-N 3.43Å; E21-H23 VanDerWaalsContact O-N 3.15Å; H23-Q25 VanDerWaalsContact C-N 3.3Å
24G75.3Confident88.5Confident48 Ų4844.2 Ų44.250%0.49523%0.227SC..THydrogen-bonded Turntrans81.70.7-17700000115S22 W26S22-G24 PolarHBondContact O-N 2.79Å; G24-W26 PolarHBondContact O-N 2.88Å
25Q80.4Confident88.5Confident149 Ų14944.2 Ų44.270%0.69623%0.227SC*.  trans-83.888.2167.5-60.3-174.7-5.300109S22 H23 E27S22-Q25 WeakPolarHBondContact O-CA 3.31Å; S22-Q25 VanDerWaalsContact O-CB 3.31Å; S22-Q25 WeakPolarHBondContact O-CB 3.18Å; S22-Q25 PolarHBondContact O-N 2.68Å; H23-Q25 VanDerWaalsContact C-N 3.3Å; Q25-E27 PolarHBondContact O-N 3.42Å; Q25-E27 VanDerWaalsContact O-N 3.13Å
26W83Confident88.7Confident62 Ų6243.4 Ų43.424%0.23522%0.223CC..  trans-81.792.9-176.3-59.6102000111.3I19 G24 L192 P244 L247 H380 T382I19-W26 HydrophobicContact CD1-CZ3 4.19Å; I19-W26 HydrophobicContact CG2-CH2 3.53Å; I19-W26 HydrophobicContact CG2-CZ3 3.69Å; G24-W26 PolarHBondContact O-N 2.88Å; W26-L192 HydrophobicContact CB-CD1 3.44Å; W26-L192 VanDerWaalsContact CB-CD1 3.44Å; W26-L192 HydrophobicContact CG-CD1 3.73Å; W26-P244 HydrophobicContact CD2-CG 4.44Å; W26-P244 HydrophobicContact CH2-CB 4.34Å; W26-P244 HydrophobicContact CZ2-CB 3.64Å; W26-P244 HydrophobicContact CZ2-CG 3.99Å; W26-L247 HydrophobicContact CE3-CD1 4.15Å; W26-L247 HydrophobicContact CH2-CD1 4.07Å; W26-L247 HydrophobicContact CZ3-CD1 3.43Å; W26-L247 VanDerWaalsContact CZ3-CD1 3.43Å; W26-H380 AromaticContact CE3-NE2 3.76Å; W26-T382 HydrophobicContact CB-CG2 3.85Å; W26-T382 WeakPolarHBondContact O-CG2 3.4Å; W26-T382 PolarHBondContact O-OG1 2.78Å
27E86.6Confident88.9Confident144 Ų14441.4 Ų41.467%0.67321%0.214SC*.  trans-93159.3167.8-64.2-173.2169.800111Q25 T29 H380Q25-E27 PolarHBondContact O-N 3.42Å; Q25-E27 VanDerWaalsContact O-N 3.13Å; E27-T29 PolarHBondContact O-N 2.84Å; E27-T29 VanDerWaalsContact O-N 3.15Å; E27-T29 PolarHBondContact O-OG1 2.88Å; E27-H380 PolarHBondContact O-NE2 2.9Å
28N89Confident89Confident38 Ų3840.1 Ų40.120%0.20321%0.207CC..  trans-54.1124.4168.7-75.5-13.2000109.4L278 V381 T382 S383 N386N28-L278 HydrophobicContact CB-CD2 4.11Å; N28-V381 WeakPolarHBondContact OD1-CA 3.41Å; N28-T382 PolarHBondContact OD1-N 2.67Å; N28-T382 PolarHBondContact OD1-OG1 2.9Å; N28-S383 PolarHBondContact ND2-O 2.96Å; N28-S383 PolarHBondContact OD1-N 2.97Å; N28-S383 VanDerWaalsContact OD1-N 3.09Å; N28-S383 PolarHBondContact OD1-O 3.41Å; N28-N386 PolarHBondContact ND2-O 2.83Å
29T89Confident89.3Confident29 Ų2939.4 Ų39.418%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-119.7133.6175.9-60.20000108.3Y15 I18 E27 L31 G379 H380Y15-T29 HydrophobicContact CE2-CG2 4.27Å; I18-T29 HydrophobicContact CG2-CG2 4.08Å; E27-T29 PolarHBondContact O-N 2.84Å; E27-T29 VanDerWaalsContact O-N 3.15Å; E27-T29 PolarHBondContact O-OG1 2.88Å; T29-L31 HydrophobicContact CG2-CD2 4.19Å; T29-G379 CarbonylContact O-C 3.54Å; T29-G379 WeakPolarHBondContact O-CA 3.08Å; T29-H380 VanDerWaalsContact CB-CE1 3.42Å; T29-H380 WeakPolarHBondContact CB-CE1 3.46Å; T29-H380 PolarHBondContact N-O 2.89Å; T29-H380 PolarHBondContact O-N 2.89Å; T29-H380 PolarHBondContact OG1-CE1 3.34Å
30F88.1Confident89.6Confident5 Ų538.6 Ų38.62%0.02220%0.2CC..EExtended strand (participates in β ladder)trans-151.6122.1170.9-167.8-106.9000109L278 E280 T324 F326 I366 I368 F377F30-L278 HydrophobicContact CB-CB 3.83Å; F30-L278 HydrophobicContact CB-CD1 3.67Å; F30-L278 HydrophobicContact CB-CG 4.37Å; F30-L278 HydrophobicContact CD1-CB 4.47Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.17Å; F30-L278 HydrophobicContact CG-CD1 3.79Å; F30-E280 WeakPolarHBondContact O-CG 3.29Å; F30-T324 WeakPolarHBondContact CD1-OG1 3.45Å; F30-T324 PolarHBondContact O-OG1 3.46Å; F30-F326 HydrophobicContact CD1-CB 3.66Å; F30-F326 HydrophobicContact CE1-CB 3.11Å; F30-F326 HydrophobicContact CE1-CD1 4.22Å; F30-F326 AromaticContact CE1-CG 3.82Å; F30-F326 HydrophobicContact CE1-CG 3.82Å; F30-F326 HydrophobicContact CE2-CB 4.38Å; F30-F326 AromaticContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CG 4.34Å; F30-F326 HydrophobicContact CG-CB 4.49Å; F30-F326 HydrophobicContact CZ-CB 3.49Å; F30-F326 VanDerWaalsContact CZ-CB 3.49Å; F30-F326 AromaticContact CZ-CD1 3.74Å; F30-F326 HydrophobicContact CZ-CD1 3.74Å; F30-F326 HydrophobicContact CZ-CD2 4.37Å; F30-F326 AromaticContact CZ-CG 3.63Å; F30-F326 HydrophobicContact CZ-CG 3.63Å; F30-I366 HydrophobicContact CD2-CD1 3.77Å; F30-I366 HydrophobicContact CD2-CG1 4.14Å; F30-I366 HydrophobicContact CE2-CD1 3.69Å; F30-I366 HydrophobicContact CE2-CG1 4.12Å; F30-I368 HydrophobicContact CZ-CD1 3.98Å; F30-I368 HydrophobicContact CZ-CG1 4.39Å; F30-F377 HydrophobicContact CD1-CD1 4.29Å; F30-F377 HydrophobicContact CE1-CB 3.79Å; F30-F377 AromaticContact CE1-CD1 3.37Å; F30-F377 HydrophobicContact CE1-CD1 3.37Å; F30-F377 HydrophobicContact CE1-CE1 4.17Å; F30-F377 AromaticContact CE1-CG 3.86Å; F30-F377 HydrophobicContact CE1-CG 3.86Å; F30-F377 HydrophobicContact CE2-CB 3.78Å; F30-F377 HydrophobicContact CZ-CB 3.24Å; F30-F377 AromaticContact CZ-CD1 3.76Å; F30-F377 HydrophobicContact CZ-CD1 3.76Å; F30-F377 AromaticContact CZ-CG 3.72Å; F30-F377 HydrophobicContact CZ-CG 3.72Å
31L91.7Very high89.9Confident0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-144.6167.6-175.755.677.2000110.6F14 I18 T29 P33 L284 F377 L378F14-L31 HydrophobicContact CD1-CD1 4.47Å; F14-L31 HydrophobicContact CE1-CD1 4.25Å; F14-L31 HydrophobicContact CE1-CD2 4Å; I18-L31 HydrophobicContact CD1-CD2 4.45Å; I18-L31 HydrophobicContact CG1-CD2 4.01Å; I18-L31 HydrophobicContact CG2-CD2 4.25Å; T29-L31 HydrophobicContact CG2-CD2 4.19Å; L31-P33 HydrophobicContact CD1-CG 3.49Å; L31-P33 VanDerWaalsContact CD1-CG 3.49Å; L31-P33 WeakPolarHBondContact O-CD 3.23Å; L31-L284 HydrophobicContact CB-CD1 4.43Å; L31-L284 HydrophobicContact CD2-CD1 4.16Å; L31-F377 VanDerWaalsContact O-CA 3.28Å; L31-F377 WeakPolarHBondContact O-CA 3.29Å; L31-L378 HydrophobicContact CD1-CD1 3.78Å; L31-L378 HydrophobicContact CD1-CG 4.45Å; L31-L378 HydrophobicContact CG-CD1 4.43Å; L31-L378 PolarHBondContact N-O 3.18Å; L31-L378 PolarHBondContact O-N 3.01Å
32S94.3Very high90.4Very high0 Ų032 Ų320%017%0.166CC..  trans-115.691.8176.8-178.40000110.3F34 N35 I36 H322 I376S32-F34 PolarHBondContact O-N 3.36Å; S32-N35 PolarHBondContact O-N 3.45Å; S32-N35 VanDerWaalsContact O-N 3.11Å; S32-N35 PolarHBondContact OG-N 3.03Å; S32-I36 WeakPolarHBondContact O-CG1 3.32Å; S32-I36 PolarHBondContact O-N 2.84Å; S32-H322 PolarHBondContact N-NE2 3.09Å; S32-I376 VanDerWaalsContact CA-O 3.27Å; S32-I376 WeakPolarHBondContact CA-O 3.33Å; S32-I376 WeakPolarHBondContact CB-O 3.32Å; S32-I376 PolarHBondContact OG-O 2.96Å
33P94.2Very high91Very high0 Ų030.9 Ų30.90%016%0.158CC..Hα-helixtrans-58.3-33.1175.4-2033000111.2T11 L31 I36 Y37 L378T11-P33 HydrophobicContact CG2-CB 3.74Å; T11-P33 HydrophobicContact CG2-CG 3.66Å; T11-P33 WeakPolarHBondContact OG1-CB 3.49Å; L31-P33 HydrophobicContact CD1-CG 3.49Å; L31-P33 VanDerWaalsContact CD1-CG 3.49Å; L31-P33 WeakPolarHBondContact O-CD 3.23Å; P33-I36 PolarHBondContact O-N 3.34Å; P33-Y37 WeakPolarHBondContact O-CB 3.49Å; P33-Y37 PolarHBondContact O-N 2.69Å; P33-L378 HydrophobicContact CG-CD1 4.13Å; P33-L378 HydrophobicContact CG-CD2 3.89Å; P33-L378 HydrophobicContact CG-CG 3.71Å
34F94.9Very high91.8Very high2 Ų223.1 Ų23.11%0.00912%0.122CC..Hα-helixtrans-54.7-53.4173.3177.9-123000112.3L7 S32 Y37 T38 L77 L78 C81 L92 L374 I376L7-F34 HydrophobicContact CD1-CD2 4.5Å; L7-F34 HydrophobicContact CD2-CD2 3.56Å; L7-F34 HydrophobicContact CD2-CE2 4.09Å; S32-F34 PolarHBondContact O-N 3.36Å; F34-Y37 WeakPolarHBondContact O-CB 3.49Å; F34-Y37 PolarHBondContact O-N 3.11Å; F34-T38 PolarHBondContact O-N 3.3Å; F34-T38 PolarHBondContact O-OG1 2.81Å; F34-L77 HydrophobicContact CE2-CB 3.9Å; F34-L77 HydrophobicContact CZ-CB 4.05Å; F34-L78 HydrophobicContact CE1-CD1 4.43Å; F34-C81 HydrophobicContact CE1-CB 4.08Å; F34-C81 HydrophobicContact CZ-CB 4.31Å; F34-L92 HydrophobicContact CD1-CD1 4.11Å; F34-L92 HydrophobicContact CE1-CD1 3.54Å; F34-L374 HydrophobicContact CD2-CD2 4.36Å; F34-L374 HydrophobicContact CE2-CD2 4.42Å; F34-I376 HydrophobicContact CB-CD1 4.27Å; F34-I376 HydrophobicContact CB-CG2 4.25Å; F34-I376 HydrophobicContact CD1-CD1 3.88Å; F34-I376 HydrophobicContact CD1-CG2 3.9Å; F34-I376 HydrophobicContact CD2-CD1 4.41Å; F34-I376 HydrophobicContact CE1-CD1 4.25Å; F34-I376 HydrophobicContact CG-CD1 3.93Å; F34-I376 HydrophobicContact CG-CG2 4.42Å
35N94.5Very high92.8Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-77.2-27.8-177-159.254.2000112.9S32 Y37 T38 A39 L92 N94 A167 T168 T169S32-N35 PolarHBondContact O-N 3.45Å; S32-N35 VanDerWaalsContact O-N 3.11Å; S32-N35 PolarHBondContact OG-N 3.03Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; N35-T38 WeakPolarHBondContact O-CB 3.43Å; N35-T38 PolarHBondContact O-N 2.81Å; N35-A39 PolarHBondContact O-N 3.47Å; N35-L92 HydrophobicContact CB-CD2 4.32Å; N35-N94 PolarHBondContact ND2-OD1 3.41Å; N35-N94 PolarHBondContact OD1-ND2 2.84Å; N35-N94 PolarHBondContact OD1-OD1 2.74Å; N35-N94 VanDerWaalsContact OD1-OD1 3.1Å; N35-A167 WeakPolarHBondContact ND2-CA 3.42Å; N35-T168 PolarHBondContact ND2-N 3.01Å; N35-T169 HydrophobicContact CB-CG2 3.23Å; N35-T169 VanDerWaalsContact ND2-CG2 3.27Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.26Å
36I96Very high93.5Very high0 Ų014.2 Ų14.20%07%0.068CC..Hα-helixtrans-61-46.9168.1-65171.8000109.6F10 F14 S32 P33 T38 A39 L40 L286 H322F10-I36 HydrophobicContact CE1-CG2 4.11Å; F10-I36 HydrophobicContact CZ-CG2 3.87Å; F14-I36 HydrophobicContact CD1-CD1 4.23Å; F14-I36 HydrophobicContact CE1-CD1 3.37Å; F14-I36 HydrophobicContact CZ-CD1 3.75Å; S32-I36 WeakPolarHBondContact O-CG1 3.32Å; S32-I36 PolarHBondContact O-N 2.84Å; P33-I36 PolarHBondContact O-N 3.34Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 2.66Å; I36-A39 CarbonylContact O-C 3.58Å; I36-A39 WeakPolarHBondContact O-CA 3.35Å; I36-A39 WeakPolarHBondContact O-CB 3.47Å; I36-A39 PolarHBondContact O-N 3.43Å; I36-L40 HydrophobicContact CG2-CD1 4.47Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 2.7Å; I36-L286 HydrophobicContact CB-CD1 4.34Å; I36-L286 HydrophobicContact CD1-CD1 3.85Å; I36-L286 HydrophobicContact CG1-CD1 3.78Å; I36-L286 HydrophobicContact CG2-CD1 3.69Å; I36-H322 HydrophobicContact CD1-CB 4.49Å; I36-H322 HydrophobicContact CG1-CB 4.31Å
37Y96.2Very high94.1Very high2 Ų211.2 Ų11.21%0.0086%0.057CC..Hα-helixtrans-61.3-40.2176.4-172.1-88000112.1S6 L7 F10 P33 F34 N35 A39 L40 G41 M59 L61 I74S6-Y37 PolarHBondContact OG-OH 2.94Å; L7-Y37 HydrophobicContact CB-CD1 4.3Å; L7-Y37 HydrophobicContact CB-CD2 4.34Å; L7-Y37 HydrophobicContact CB-CE1 4.28Å; L7-Y37 HydrophobicContact CB-CE2 4.3Å; L7-Y37 HydrophobicContact CB-CG 4.34Å; L7-Y37 HydrophobicContact CD1-CD1 4.11Å; L7-Y37 HydrophobicContact CD1-CD2 4.02Å; L7-Y37 HydrophobicContact CD1-CG 3.63Å; F10-Y37 HydrophobicContact CB-CD2 3.94Å; F10-Y37 HydrophobicContact CB-CE2 4.15Å; F10-Y37 AromaticContact CD1-CD2 3.68Å; F10-Y37 HydrophobicContact CD1-CD2 3.68Å; F10-Y37 HydrophobicContact CD1-CG 4.39Å; F10-Y37 HydrophobicContact CD2-CD2 4.47Å; F10-Y37 HydrophobicContact CE1-CD2 4.34Å; F10-Y37 AromaticContact CG-CD2 3.76Å; F10-Y37 HydrophobicContact CG-CD2 3.76Å; F10-Y37 HydrophobicContact CG-CE2 4.37Å; P33-Y37 WeakPolarHBondContact O-CB 3.49Å; P33-Y37 PolarHBondContact O-N 2.69Å; F34-Y37 WeakPolarHBondContact O-CB 3.49Å; F34-Y37 PolarHBondContact O-N 3.11Å; N35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-A39 VanDerWaalsContact C-N 3.31Å; Y37-A39 PolarHBondContact O-N 3.36Å; Y37-L40 PolarHBondContact O-N 2.97Å; Y37-G41 PolarHBondContact O-N 2.98Å; Y37-M59 HydrophobicContact CD1-CE 4.09Å; Y37-M59 HydrophobicContact CD2-CE 4Å; Y37-M59 HydrophobicContact CE1-CE 3.72Å; Y37-M59 HydrophobicContact CE2-CB 3.86Å; Y37-M59 HydrophobicContact CE2-CE 3.65Å; Y37-M59 HydrophobicContact CE2-CG 4.27Å; Y37-M59 WeakPolarHBondContact CE2-O 3.06Å; Y37-M59 HydrophobicContact CG-CE 4.2Å; Y37-M59 VanDerWaalsContact CZ-CE 3.48Å; Y37-L61 VanDerWaalsContact OH-CD2 3.24Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.23Å; Y37-I74 HydrophobicContact CD1-CD1 4.25Å; Y37-I74 HydrophobicContact CD1-CG1 4.36Å; Y37-I74 HydrophobicContact CE1-CD1 3.77Å; Y37-I74 HydrophobicContact CE1-CG1 3.91Å
38T95.8Very high94.4Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-57.6-44170.6-56.50000111.3F34 N35 I36 G41 M42 I74 L78 Y116F34-T38 PolarHBondContact O-N 3.3Å; F34-T38 PolarHBondContact O-OG1 2.81Å; N35-T38 WeakPolarHBondContact O-CB 3.43Å; N35-T38 PolarHBondContact O-N 2.81Å; I36-T38 VanDerWaalsContact C-N 3.33Å; I36-T38 PolarHBondContact O-N 2.66Å; T38-G41 WeakPolarHBondContact O-CA 3.34Å; T38-G41 PolarHBondContact O-N 3.25Å; T38-G41 VanDerWaalsContact O-N 3.14Å; T38-M42 PolarHBondContact O-N 3.02Å; T38-M42 VanDerWaalsContact O-N 3.1Å; T38-I74 HydrophobicContact CG2-CG2 4.23Å; T38-L78 HydrophobicContact CG2-CD1 4.2Å; T38-L78 HydrophobicContact CG2-CD2 4.28Å; T38-Y116 HydrophobicContact CG2-CD1 3.69Å; T38-Y116 HydrophobicContact CG2-CE1 4.36Å; T38-Y116 WeakPolarHBondContact O-CD1 3.3Å; T38-Y116 VanDerWaalsContact O-CE1 3.31Å; T38-Y116 WeakPolarHBondContact O-CE1 3.3Å
39A96.8Very high94.7Very high0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-67.4-38.4177.500000113.7N35 I36 Y37 G41 M42 V43 V165 A167 V320N35-A39 PolarHBondContact O-N 3.47Å; I36-A39 CarbonylContact O-C 3.58Å; I36-A39 WeakPolarHBondContact O-CA 3.35Å; I36-A39 WeakPolarHBondContact O-CB 3.47Å; I36-A39 PolarHBondContact O-N 3.43Å; Y37-A39 VanDerWaalsContact C-N 3.31Å; Y37-A39 PolarHBondContact O-N 3.36Å; A39-G41 VanDerWaalsContact C-N 3.25Å; A39-G41 PolarHBondContact O-N 2.88Å; A39-M42 VanDerWaalsContact CA-CE 3.46Å; A39-M42 HydrophobicContact CB-CE 3.74Å; A39-M42 WeakPolarHBondContact O-CB 3.17Å; A39-M42 PolarHBondContact O-N 3.29Å; A39-M42 VanDerWaalsContact O-N 3.15Å; A39-V43 PolarHBondContact O-N 3.08Å; A39-V43 VanDerWaalsContact O-N 3.16Å; A39-V165 HydrophobicContact CB-CG1 3.86Å; A39-A167 HydrophobicContact CB-CB 3.73Å; A39-V320 HydrophobicContact CB-CG1 4.1Å
40L96.9Very high95Very high1 Ų113.5 Ų13.51%0.0057%0.071CC..Hα-helixtrans-63.5-34170.1-63.5-177.6000111.6F10 I36 Y37 M42 V43 L44 M55 M59 L290 I295F10-L40 HydrophobicContact CD2-CD1 4.47Å; F10-L40 HydrophobicContact CE1-CD1 4.49Å; F10-L40 HydrophobicContact CE2-CD1 3.53Å; F10-L40 HydrophobicContact CZ-CD1 3.55Å; I36-L40 HydrophobicContact CG2-CD1 4.47Å; I36-L40 HydrophobicContact CG2-CG 4.48Å; I36-L40 WeakPolarHBondContact O-CG 3.31Å; I36-L40 PolarHBondContact O-N 2.7Å; Y37-L40 PolarHBondContact O-N 2.97Å; L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 2.67Å; L40-V43 PolarHBondContact O-N 2.82Å; L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.11Å; L40-M55 HydrophobicContact CB-CE 3.78Å; L40-M55 HydrophobicContact CD2-CE 3.99Å; L40-M55 HydrophobicContact CG-CE 4.42Å; L40-M55 WeakPolarHBondContact O-CE 3.45Å; L40-M59 HydrophobicContact CB-CE 4.07Å; L40-M59 HydrophobicContact CB-CG 4.04Å; L40-M59 HydrophobicContact CB-SD 3.71Å; L40-M59 HydrophobicContact CD1-CG 4.11Å; L40-L290 HydrophobicContact CD1-CD2 3.91Å; L40-L290 HydrophobicContact CD2-CD1 3.72Å; L40-L290 HydrophobicContact CD2-CD2 3.88Å; L40-L290 HydrophobicContact CD2-CG 4.44Å; L40-L290 HydrophobicContact CG-CD2 4.44Å; L40-I295 HydrophobicContact CD1-CD1 4.44Å; L40-I295 HydrophobicContact CD2-CD1 4.19Å
41G95.7Very high95.4Very high0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-60.4-39.7171.200000113.2Y37 T38 A39 V43 L44 S45 Y116Y37-G41 PolarHBondContact O-N 2.98Å; T38-G41 WeakPolarHBondContact O-CA 3.34Å; T38-G41 PolarHBondContact O-N 3.25Å; T38-G41 VanDerWaalsContact O-N 3.14Å; A39-G41 VanDerWaalsContact C-N 3.25Å; A39-G41 PolarHBondContact O-N 2.88Å; G41-V43 VanDerWaalsContact C-N 3.33Å; G41-L44 PolarHBondContact O-N 3.48Å; G41-S45 PolarHBondContact O-N 2.82Å; G41-Y116 WeakPolarHBondContact CA-OH 3.35Å; G41-Y116 PolarHBondContact O-OH 2.89Å
42M96.9Very high95.6Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-62.3-42173.5-62.2-172.6-78.600111.6T38 A39 L40 S45 G46 N94 L112 Y116 A118 V165T38-M42 PolarHBondContact O-N 3.02Å; T38-M42 VanDerWaalsContact O-N 3.1Å; A39-M42 VanDerWaalsContact CA-CE 3.46Å; A39-M42 HydrophobicContact CB-CE 3.74Å; A39-M42 WeakPolarHBondContact O-CB 3.17Å; A39-M42 PolarHBondContact O-N 3.29Å; A39-M42 VanDerWaalsContact O-N 3.15Å; L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 2.67Å; M42-S45 PolarHBondContact O-N 2.8Å; M42-G46 PolarHBondContact O-N 3.14Å; M42-N94 HydrophobicContact CE-CB 3.75Å; M42-N94 HydrophobicContact SD-CB 4.1Å; M42-L112 HydrophobicContact CB-CG 4.4Å; M42-L112 HydrophobicContact CG-CG 4.34Å; M42-Y116 HydrophobicContact CG-CD1 3.71Å; M42-Y116 HydrophobicContact CG-CD2 3.99Å; M42-Y116 HydrophobicContact CG-CE1 4.33Å; M42-Y116 HydrophobicContact CG-CG 3.52Å; M42-A118 HydrophobicContact CG-CB 4.45Å; M42-A118 HydrophobicContact SD-CB 3.24Å; M42-A118 WeakPolarHBondContact SD-CB 3.18Å; M42-V165 HydrophobicContact CE-CG1 3.33Å
43V96.9Very high95.7Very high4 Ų417.4 Ų17.42%0.02410%0.097CC..Hα-helixtrans-65.6-44.6176.51780000110.6A39 L40 G41 S45 G46 S47 M55 V165 A298 F306 I317A39-V43 PolarHBondContact O-N 3.08Å; A39-V43 VanDerWaalsContact O-N 3.16Å; L40-V43 PolarHBondContact O-N 2.82Å; G41-V43 VanDerWaalsContact C-N 3.33Å; V43-S45 VanDerWaalsContact C-N 3.31Å; V43-S45 PolarHBondContact O-N 2.65Å; V43-G46 PolarHBondContact O-N 3.49Å; V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 VanDerWaalsContact O-N 3.08Å; V43-M55 HydrophobicContact CB-CE 3.73Å; V43-M55 HydrophobicContact CB-SD 4.47Å; V43-M55 HydrophobicContact CG1-CE 3.75Å; V43-M55 HydrophobicContact CG1-CG 4.49Å; V43-M55 HydrophobicContact CG1-SD 3.82Å; V43-V165 HydrophobicContact CG2-CG2 3.9Å; V43-A298 HydrophobicContact CG1-CB 4.47Å; V43-F306 HydrophobicContact CG1-CE1 3.72Å; V43-F306 HydrophobicContact CG1-CZ 3.86Å; V43-I317 HydrophobicContact CG1-CG1 4.02Å; V43-I317 HydrophobicContact CG2-CD1 4.29Å; V43-I317 HydrophobicContact CG2-CG1 4.12Å
44L95.9Very high95.8Very high2 Ų218.7 Ų18.71%0.0110%0.103CC..Hα-helixtrans-57.1-43.8176.3177.568.3000111.3L40 G41 G46 S47 K52 M55 I56 M59 L61L40-L44 WeakPolarHBondContact O-CB 3.36Å; L40-L44 PolarHBondContact O-N 3.11Å; G41-L44 PolarHBondContact O-N 3.48Å; L44-G46 PolarHBondContact O-N 3.14Å; L44-G46 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact CA-OG 3.34Å; L44-S47 PolarHBondContact O-N 3.16Å; L44-S47 VanDerWaalsContact O-N 3.1Å; L44-S47 PolarHBondContact O-OG 2.93Å; L44-K52 HydrophobicContact CD1-CG 3.92Å; L44-M55 HydrophobicContact CB-CB 4.41Å; L44-M55 HydrophobicContact CB-CE 4.37Å; L44-M55 HydrophobicContact CD1-CB 3.69Å; L44-I56 HydrophobicContact CD1-CG1 4Å; L44-M59 HydrophobicContact CB-SD 4.25Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; L44-L61 HydrophobicContact CD2-CD1 3.65Å
45S95.2Very high95.8Very high9 Ų918.6 Ų18.66%0.06310%0.103CC..THydrogen-bonded Turntrans-60.9-20.8177.5-178.90000113.3G41 M42 V43G41-S45 PolarHBondContact O-N 2.82Å; M42-S45 PolarHBondContact O-N 2.8Å; V43-S45 VanDerWaalsContact C-N 3.31Å; V43-S45 PolarHBondContact O-N 2.65Å
46G95.6Very high95.8Very high0 Ų019.3 Ų19.30%011%0.106CC..THydrogen-bonded Turntrans-99.2-15.9178.800000113.9M42 V43 L44 F108 F306 N308 V309M42-G46 PolarHBondContact O-N 3.14Å; V43-G46 PolarHBondContact O-N 3.49Å; L44-G46 PolarHBondContact O-N 3.14Å; L44-G46 VanDerWaalsContact O-N 3.11Å; G46-F108 VanDerWaalsContact CA-CE2 3.47Å; G46-F306 CarbonylContact O-C 3.51Å; G46-F306 VanDerWaalsContact O-CA 3.29Å; G46-F306 WeakPolarHBondContact O-CA 3.45Å; G46-N308 WeakPolarHBondContact O-CB 3.49Å; G46-V309 VanDerWaalsContact CA-CG2 3.44Å
47S95.4Very high95.8Very high0 Ų026.5 Ų26.50%014%0.138CC..  trans-86.4152.5-172.165.40000113.2V43 L44 K52 D305 N308V43-S47 PolarHBondContact O-N 2.88Å; V43-S47 VanDerWaalsContact O-N 3.08Å; L44-S47 WeakPolarHBondContact CA-OG 3.34Å; L44-S47 PolarHBondContact O-N 3.16Å; L44-S47 VanDerWaalsContact O-N 3.1Å; L44-S47 PolarHBondContact O-OG 2.93Å; S47-K52 WeakPolarHBondContact OG-CA 3.28Å; S47-K52 WeakPolarHBondContact OG-CB 3.41Å; S47-D305 WeakPolarHBondContact CA-O 3.35Å; S47-N308 PolarHBondContact O-ND2 2.95Å
48E94.4Very high95.8Very high56 Ų5626.4 Ų26.426%0.26214%0.138SC..  trans-136.4172.9169.2-153.754.2-110.500111.2N50 T51 K52 D305 N308E48-N50 PolarHBondContact O-N 2.85Å; E48-T51 WeakPolarHBondContact O-CB 3.14Å; E48-T51 PolarHBondContact O-N 3.28Å; E48-K52 PolarHBondContact O-N 2.97Å; E48-K52 VanDerWaalsContact O-N 3.11Å; E48-K52 IonicContact OE1-NZ 2.59Å; E48-K52 PolarHBondContact OE1-NZ 2.75Å; E48-K52 IonicContact OE2-NZ 2.94Å; E48-D305 PolarHBondContact N-O 3.21Å; E48-N308 PolarHBondContact OE2-ND2 3.26Å
49N94.5Very high95.7Very high114 Ų11426.4 Ų26.461%0.6114%0.138SC*.Hα-helixtrans50.8-133.2173.6-65.1-47.6000113.6T51 K52 A53 D305N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.29Å; N49-K52 WeakPolarHBondContact O-CB 3.37Å; N49-K52 PolarHBondContact O-N 3.48Å; N49-A53 PolarHBondContact O-N 2.93Å; N49-A53 VanDerWaalsContact O-N 3.08Å; N49-D305 PolarHBondContact ND2-OD2 2.84Å
50N96.1Very high95.6Very high88 Ų8829.7 Ų29.747%0.47115%0.153SC..Hα-helixtrans-66-34.7-176.1-169.264.8000112.3E48 K52 A53 E54 D297E48-N50 PolarHBondContact O-N 2.85Å; N50-K52 VanDerWaalsContact C-N 3.27Å; N50-K52 PolarHBondContact O-N 3.42Å; N50-A53 PolarHBondContact O-N 2.91Å; N50-A53 VanDerWaalsContact O-N 3.14Å; N50-E54 WeakPolarHBondContact O-CG 3.39Å; N50-E54 PolarHBondContact O-N 3.24Å; N50-D297 PolarHBondContact ND2-OD2 2.98Å
51T96.4Very high95.3Very high1 Ų130.2 Ų30.21%0.00616%0.155CC..Hα-helixtrans-56.9-45.3174.6-57.90000110.4E48 N49 E54 M55 D297 A298 D305 F306E48-T51 WeakPolarHBondContact O-CB 3.14Å; E48-T51 PolarHBondContact O-N 3.28Å; N49-T51 VanDerWaalsContact C-N 3.32Å; N49-T51 PolarHBondContact O-N 3.29Å; T51-E54 PolarHBondContact O-N 3.25Å; T51-M55 VanDerWaalsContact O-CG 3.25Å; T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.39Å; T51-M55 VanDerWaalsContact O-N 3.09Å; T51-D297 WeakPolarHBondContact OG1-CB 3.36Å; T51-A298 HydrophobicContact CG2-CB 3.93Å; T51-D305 PolarHBondContact OG1-N 3Å; T51-F306 HydrophobicContact CG2-CE1 4.33Å; T51-F306 HydrophobicContact CG2-CE2 4.44Å; T51-F306 HydrophobicContact CG2-CZ 3.97Å
52K95.3Very high94.8Very high36 Ų3631.6 Ų31.616%0.15717%0.165CC..Hα-helixtrans-64.8-41.8176.6-172.6176.6-173.1168.10112.7L44 S47 E48 N49 N50 E54 M55 I56 H67L44-K52 HydrophobicContact CD1-CG 3.92Å; S47-K52 WeakPolarHBondContact OG-CA 3.28Å; S47-K52 WeakPolarHBondContact OG-CB 3.41Å; E48-K52 PolarHBondContact O-N 2.97Å; E48-K52 VanDerWaalsContact O-N 3.11Å; E48-K52 IonicContact OE1-NZ 2.59Å; E48-K52 PolarHBondContact OE1-NZ 2.75Å; E48-K52 IonicContact OE2-NZ 2.94Å; N49-K52 WeakPolarHBondContact O-CB 3.37Å; N49-K52 PolarHBondContact O-N 3.48Å; N50-K52 VanDerWaalsContact C-N 3.27Å; N50-K52 PolarHBondContact O-N 3.42Å; K52-E54 VanDerWaalsContact C-N 3.34Å; K52-E54 PolarHBondContact O-N 3.26Å; K52-M55 WeakPolarHBondContact O-CB 3.43Å; K52-M55 PolarHBondContact O-N 3.25Å; K52-I56 HydrophobicContact CG-CD1 3.96Å; K52-I56 WeakPolarHBondContact O-CD1 3.34Å; K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.49Å; K52-I56 PolarHBondContact O-N 3.14Å; K52-H67 WeakPolarHBondContact CE-ND1 3.44Å
53A95.1Very high93.6Very high50 Ų5038.9 Ų38.941%0.41320%0.204SC..Hα-helixtrans-61.1-41.8177.100000112.4N49 N50 I56 K57N49-A53 PolarHBondContact O-N 2.93Å; N49-A53 VanDerWaalsContact O-N 3.08Å; N50-A53 PolarHBondContact O-N 2.91Å; N50-A53 VanDerWaalsContact O-N 3.14Å; A53-I56 PolarHBondContact O-N 3.45Å; A53-K57 WeakPolarHBondContact O-CB 3.42Å; A53-K57 PolarHBondContact O-N 2.94Å; A53-K57 VanDerWaalsContact O-N 3.09Å
54E97.1Very high92Very high28 Ų2850.3 Ų50.313%0.13125%0.247CC..Hα-helixtrans-62-43.9173.9-71.1-174.915900111.9N50 T51 K52 K57 A58 G294 N296 D297N50-E54 WeakPolarHBondContact O-CG 3.39Å; N50-E54 PolarHBondContact O-N 3.24Å; T51-E54 PolarHBondContact O-N 3.25Å; K52-E54 VanDerWaalsContact C-N 3.34Å; K52-E54 PolarHBondContact O-N 3.26Å; E54-K57 PolarHBondContact O-N 2.62Å; E54-A58 VanDerWaalsContact O-CB 3.27Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 2.92Å; E54-G294 WeakPolarHBondContact CB-O 3.33Å; E54-G294 VanDerWaalsContact CD-O 3.26Å; E54-G294 WeakPolarHBondContact CG-O 3.47Å; E54-N296 PolarHBondContact OE2-N 3.09Å; E54-D297 PolarHBondContact OE2-N 2.99Å
55M96Very high90.4Very high0 Ų051.2 Ų51.20%025%0.252CS..Hα-helixtrans-60.5-48.7176.9-68.2-61.9-61.400111.8L40 V43 L44 T51 K52 K57 A58 M59 I295L40-M55 HydrophobicContact CB-CE 3.78Å; L40-M55 HydrophobicContact CD2-CE 3.99Å; L40-M55 HydrophobicContact CG-CE 4.42Å; L40-M55 WeakPolarHBondContact O-CE 3.45Å; V43-M55 HydrophobicContact CB-CE 3.73Å; V43-M55 HydrophobicContact CB-SD 4.47Å; V43-M55 HydrophobicContact CG1-CE 3.75Å; V43-M55 HydrophobicContact CG1-CG 4.49Å; V43-M55 HydrophobicContact CG1-SD 3.82Å; L44-M55 HydrophobicContact CB-CB 4.41Å; L44-M55 HydrophobicContact CB-CE 4.37Å; L44-M55 HydrophobicContact CD1-CB 3.69Å; T51-M55 VanDerWaalsContact O-CG 3.25Å; T51-M55 WeakPolarHBondContact O-CG 3.32Å; T51-M55 PolarHBondContact O-N 3.39Å; T51-M55 VanDerWaalsContact O-N 3.09Å; K52-M55 WeakPolarHBondContact O-CB 3.43Å; K52-M55 PolarHBondContact O-N 3.25Å; M55-K57 PolarHBondContact O-N 2.9Å; M55-A58 PolarHBondContact O-N 3.44Å; M55-M59 HydrophobicContact CE-SD 4.1Å; M55-M59 VanDerWaalsContact O-CB 3.25Å; M55-M59 WeakPolarHBondContact O-CB 3.29Å; M55-M59 VanDerWaalsContact O-CG 3.22Å; M55-M59 WeakPolarHBondContact O-CG 3.23Å; M55-M59 PolarHBondContact O-N 3.37Å; M55-I295 HydrophobicContact CE-CD1 4.4Å; M55-I295 HydrophobicContact SD-CB 4.47Å; M55-I295 HydrophobicContact SD-CD1 3.74Å; M55-I295 HydrophobicContact SD-CG1 4.03Å; M55-I295 HydrophobicContact SD-CG2 3.58Å; M55-I295 VanDerWaalsContact SD-CG2 3.58Å
56I94.4Very high88.9Confident14 Ų1458.2 Ų58.27%0.07228%0.283CS..Hα-helixtrans-56.5-49.9178.3-69.5160.3000110.6L44 K52 A53 M59 Q60 L61 H67L44-I56 HydrophobicContact CD1-CG1 4Å; K52-I56 HydrophobicContact CG-CD1 3.96Å; K52-I56 WeakPolarHBondContact O-CD1 3.34Å; K52-I56 VanDerWaalsContact O-CG1 3.28Å; K52-I56 WeakPolarHBondContact O-CG1 3.49Å; K52-I56 PolarHBondContact O-N 3.14Å; A53-I56 PolarHBondContact O-N 3.45Å; I56-M59 PolarHBondContact O-N 3.23Å; I56-Q60 PolarHBondContact O-N 3.43Å; I56-Q60 VanDerWaalsContact O-N 3.13Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.88Å; I56-L61 PolarHBondContact O-N 2.8Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.27Å
57K94.7Very high87.7Confident151 Ų15161 Ų6166%0.65730%0.297SS*.Hα-helixtrans-63.4-46.1-179.8-176.3179.3-180-179.30112A53 E54 M55 Q60A53-K57 WeakPolarHBondContact O-CB 3.42Å; A53-K57 PolarHBondContact O-N 2.94Å; A53-K57 VanDerWaalsContact O-N 3.09Å; E54-K57 PolarHBondContact O-N 2.62Å; M55-K57 PolarHBondContact O-N 2.9Å; K57-Q60 PolarHBondContact O-N 3.34Å; K57-Q60 PolarHBondContact O-NE2 3.04Å
58A96Very high86.9Confident1 Ų166.7 Ų66.71%0.00833%0.327CS..Hα-helixtrans-66-40.7-179.400000111.9E54 M55 Q60 L293 I295E54-A58 VanDerWaalsContact O-CB 3.27Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 2.92Å; M55-A58 PolarHBondContact O-N 3.44Å; A58-Q60 PolarHBondContact O-N 3.08Å; A58-L293 HydrophobicContact CB-CB 4.24Å; A58-I295 HydrophobicContact CB-CD1 3.54Å; A58-I295 HydrophobicContact CB-CG1 3.34Å
59M95.1Very high86.6Confident0 Ų068 Ų680%033%0.333CS..THydrogen-bonded Turntrans-73.6-1.2175.3-66.7179.371.500113.6S6 Y37 L40 L44 M55 I56 L61S6-M59 WeakPolarHBondContact CB-O 3.47Å; Y37-M59 HydrophobicContact CD1-CE 4.09Å; Y37-M59 HydrophobicContact CD2-CE 4Å; Y37-M59 HydrophobicContact CE1-CE 3.72Å; Y37-M59 HydrophobicContact CE2-CB 3.86Å; Y37-M59 HydrophobicContact CE2-CE 3.65Å; Y37-M59 HydrophobicContact CE2-CG 4.27Å; Y37-M59 WeakPolarHBondContact CE2-O 3.06Å; Y37-M59 HydrophobicContact CG-CE 4.2Å; Y37-M59 VanDerWaalsContact CZ-CE 3.48Å; L40-M59 HydrophobicContact CB-CE 4.07Å; L40-M59 HydrophobicContact CB-CG 4.04Å; L40-M59 HydrophobicContact CB-SD 3.71Å; L40-M59 HydrophobicContact CD1-CG 4.11Å; L44-M59 HydrophobicContact CB-SD 4.25Å; L44-M59 HydrophobicContact CD2-SD 4.14Å; M55-M59 HydrophobicContact CE-SD 4.1Å; M55-M59 VanDerWaalsContact O-CB 3.25Å; M55-M59 WeakPolarHBondContact O-CB 3.29Å; M55-M59 VanDerWaalsContact O-CG 3.22Å; M55-M59 WeakPolarHBondContact O-CG 3.23Å; M55-M59 PolarHBondContact O-N 3.37Å; I56-M59 PolarHBondContact O-N 3.23Å; M59-L61 HydrophobicContact CB-CD1 4Å; M59-L61 HydrophobicContact CB-CG 3.94Å; M59-L61 HydrophobicContact CE-CD1 4.36Å; M59-L61 PolarHBondContact O-N 2.84Å; M59-L61 HydrophobicContact SD-CD1 4.27Å
60Q93.5Very high86.4Confident68 Ų6862.6 Ų62.632%0.31830%0.304SS..THydrogen-bonded Turntrans58.430.2-179.3-54.6-69.3-73.600112.8S6 N9 I56 K57 A58S6-Q60 WeakPolarHBondContact CB-O 3.36Å; N9-Q60 HydrophobicContact CB-CB 3.95Å; N9-Q60 HydrophobicContact CB-CG 3.98Å; I56-Q60 PolarHBondContact O-N 3.43Å; I56-Q60 VanDerWaalsContact O-N 3.13Å; K57-Q60 PolarHBondContact O-N 3.34Å; K57-Q60 PolarHBondContact O-NE2 3.04Å; A58-Q60 PolarHBondContact O-N 3.08Å
61L92.1Very high86.3Confident12 Ų1259 Ų596%0.06328%0.284CS..  trans-75150.8173.7-70.1170.6000109.6Y37 L44 I56 M59 V70Y37-L61 VanDerWaalsContact OH-CD2 3.24Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.23Å; L44-L61 HydrophobicContact CD2-CD1 3.65Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.88Å; I56-L61 PolarHBondContact O-N 2.8Å; M59-L61 HydrophobicContact CB-CD1 4Å; M59-L61 HydrophobicContact CB-CG 3.94Å; M59-L61 HydrophobicContact CE-CD1 4.36Å; M59-L61 PolarHBondContact O-N 2.84Å; M59-L61 HydrophobicContact SD-CD1 4.27Å; L61-V70 HydrophobicContact CD1-CG1 3.99Å; L61-V70 HydrophobicContact CD1-CG2 4.36Å; L61-V70 HydrophobicContact CD2-CB 4.45Å; L61-V70 HydrophobicContact CD2-CG1 3.71Å; L61-V70 HydrophobicContact CD2-CG2 3.81Å
62S84.1Confident86.1Confident30 Ų3061.5 Ų61.521%0.2130%0.301CS..  trans-82.2147.8174.874.70000111.5E2 R64 L65E2-S62 WeakPolarHBondContact OE1-CB 3.27Å; E2-S62 PolarHBondContact OE1-OG 3.15Å; S62-R64 PolarHBondContact O-N 3.29Å; S62-R64 VanDerWaalsContact O-N 3.16Å; S62-L65 PolarHBondContact O-N 3.34Å
63D72.9Confident85.9Confident153 Ų15360.7 Ų60.782%0.81830%0.298SS*.THydrogen-bonded Turntrans-67.6-10.7174.4-55-39.3000113
64R61.8Low85.9Confident244 Ų24458.4 Ų58.492%0.92128%0.279SS*.THydrogen-bonded Turntrans-88.9-11.5-176-64.4-174.3-179.8-168.9-0.5113.5S62S62-R64 PolarHBondContact O-N 3.29Å; S62-R64 VanDerWaalsContact O-N 3.16Å
65L62.3Low85.8Confident21 Ų2157.5 Ų57.511%0.1128%0.276CS..SBendtrans-79.9135.3-173.6-116.8157.7000111.5E2 S62 H67 Q69 V70E2-L65 HydrophobicContact CB-CD1 3.78Å; E2-L65 HydrophobicContact CG-CD1 3.47Å; E2-L65 VanDerWaalsContact CG-CD1 3.47Å; E2-L65 WeakPolarHBondContact OE2-CD1 2.88Å; E2-L65 WeakPolarHBondContact OE2-CG 3.5Å; S62-L65 PolarHBondContact O-N 3.34Å; L65-H67 PolarHBondContact O-N 3.48Å; L65-Q69 HydrophobicContact CD2-CB 3.71Å; L65-Q69 HydrophobicContact CD2-CG 3.91Å; L65-V70 HydrophobicContact CB-CG2 4.29Å; L65-V70 HydrophobicContact CD1-CG2 3.76Å; L65-V70 HydrophobicContact CD2-CG2 3.85Å; L65-V70 HydrophobicContact CG-CG2 4.2Å
66E64.2Low85.7Confident156 Ų15662.4 Ų62.473%0.72930%0.299SS*.  trans-62.7115.6158.1-68.2-178.2178.200107.7D68 Q69E66-D68 PolarHBondContact O-N 2.95Å; E66-Q69 HydrophobicContact CB-CB 4.5Å; E66-Q69 WeakPolarHBondContact O-CB 3.32Å; E66-Q69 PolarHBondContact O-N 3.2Å
67H70.3Confident85.6Confident59 Ų5962 Ų6227%0.27330%0.297SS..Hα-helixtrans-54.2-31.1-175.1-61.2115.7000113.1K52 I56 L65 Q69 V70 H71K52-H67 WeakPolarHBondContact CE-ND1 3.44Å; I56-H67 WeakPolarHBondContact CD1-NE2 3.27Å; L65-H67 PolarHBondContact O-N 3.48Å; H67-Q69 VanDerWaalsContact C-N 3.3Å; H67-Q69 PolarHBondContact O-N 3.38Å; H67-V70 WeakPolarHBondContact O-CB 3.3Å; H67-V70 PolarHBondContact O-N 2.94Å; H67-H71 PolarHBondContact O-CD2 3.43Å; H67-H71 VanDerWaalsContact O-CD2 3.26Å
68D79.7Confident85.5Confident118 Ų11855 Ų5563%0.63127%0.266SS*.Hα-helixtrans-62.8-34.2176-68.1-18.6000112.9E66 V70 H71 C72E66-D68 PolarHBondContact O-N 2.95Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 2.78Å; D68-H71 PolarHBondContact O-N 3.11Å; D68-C72 PolarHBondContact O-N 3.27Å
69Q87.5Confident85.4Confident85 Ų8558 Ų5840%0.39728%0.282SS..Hα-helixtrans-67.6-33.9177.8-176.761.428.400111.6L65 E66 H67 H71 C72 E73L65-Q69 HydrophobicContact CD2-CB 3.71Å; L65-Q69 HydrophobicContact CD2-CG 3.91Å; E66-Q69 HydrophobicContact CB-CB 4.5Å; E66-Q69 WeakPolarHBondContact O-CB 3.32Å; E66-Q69 PolarHBondContact O-N 3.2Å; H67-Q69 VanDerWaalsContact C-N 3.3Å; H67-Q69 PolarHBondContact O-N 3.38Å; Q69-H71 VanDerWaalsContact C-N 3.32Å; Q69-H71 PolarHBondContact O-N 3.09Å; Q69-C72 PolarHBondContact O-N 2.75Å; Q69-E73 WeakPolarHBondContact O-CG 3.45Å; Q69-E73 PolarHBondContact O-N 3.28Å
70V90.3Very high85.3Confident0 Ų061 Ų610%030%0.299CS..Hα-helixtrans-60.7-44.5175.2179.40000110.7L61 L65 H67 D68 C72 E73 I74L61-V70 HydrophobicContact CD1-CG1 3.99Å; L61-V70 HydrophobicContact CD1-CG2 4.36Å; L61-V70 HydrophobicContact CD2-CB 4.45Å; L61-V70 HydrophobicContact CD2-CG1 3.71Å; L61-V70 HydrophobicContact CD2-CG2 3.81Å; L65-V70 HydrophobicContact CB-CG2 4.29Å; L65-V70 HydrophobicContact CD1-CG2 3.76Å; L65-V70 HydrophobicContact CD2-CG2 3.85Å; L65-V70 HydrophobicContact CG-CG2 4.2Å; H67-V70 WeakPolarHBondContact O-CB 3.3Å; H67-V70 PolarHBondContact O-N 2.94Å; D68-V70 VanDerWaalsContact C-N 3.32Å; D68-V70 PolarHBondContact O-N 2.78Å; V70-C72 VanDerWaalsContact C-N 3.33Å; V70-C72 PolarHBondContact O-N 3.05Å; V70-E73 PolarHBondContact O-N 3.27Å; V70-I74 HydrophobicContact CG1-CD1 3.9Å; V70-I74 HydrophobicContact CG1-CG1 4.48Å; V70-I74 WeakPolarHBondContact O-CG1 3.37Å; V70-I74 PolarHBondContact O-N 3.1Å
71H93.1Very high85.2Confident11 Ų1157.9 Ų57.95%0.05128%0.284CS..Hα-helixtrans-61.2-43.5178.9-60.7-51.1000111.3H67 D68 Q69 I74 A75 N115 Y116H67-H71 PolarHBondContact O-CD2 3.43Å; H67-H71 VanDerWaalsContact O-CD2 3.26Å; D68-H71 PolarHBondContact O-N 3.11Å; Q69-H71 VanDerWaalsContact C-N 3.32Å; Q69-H71 PolarHBondContact O-N 3.09Å; H71-I74 PolarHBondContact O-N 3.15Å; H71-A75 WeakPolarHBondContact O-CB 3.47Å; H71-A75 PolarHBondContact O-N 3.31Å; H71-N115 HydrophobicContact CB-CB 4.16Å; H71-Y116 AromaticContact ND1-CE2 3.84Å; H71-Y116 AromaticContact ND1-CZ 3.66Å; H71-Y116 PolarHBondContact ND1-OH 2.93Å
72C92.6Very high85.1Confident54 Ų5459.2 Ų59.237%0.36529%0.294SS..Hα-helixtrans-63.4-42.8175.8-69.40000113D68 Q69 V70 A75 Q76D68-C72 PolarHBondContact O-N 3.27Å; Q69-C72 PolarHBondContact O-N 2.75Å; V70-C72 VanDerWaalsContact C-N 3.33Å; V70-C72 PolarHBondContact O-N 3.05Å; C72-A75 WeakPolarHBondContact O-CB 3.35Å; C72-A75 PolarHBondContact O-N 3.46Å; C72-Q76 WeakPolarHBondContact O-CG 3.36Å; C72-Q76 PolarHBondContact O-N 3.26Å
73E92.3Very high85.4Confident19 Ų1963.3 Ų63.39%0.08931%0.309CS..Hα-helixtrans-65.8-39.5177.8-71.2-168.4176.600111.8M1 E2 A3 Q69 V70 A75 Q76 L77M1-E73 WeakPolarHBondContact CB-OE2 3.37Å; E2-E73 PolarHBondContact N-OE2 2.73Å; A3-E73 HydrophobicContact CB-CB 3.59Å; A3-E73 HydrophobicContact CB-CG 4.44Å; A3-E73 WeakPolarHBondContact CB-OE2 3.32Å; A3-E73 PolarHBondContact N-OE2 3.14Å; Q69-E73 WeakPolarHBondContact O-CG 3.45Å; Q69-E73 PolarHBondContact O-N 3.28Å; V70-E73 PolarHBondContact O-N 3.27Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 2.99Å; E73-Q76 PolarHBondContact O-N 3.32Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 3.46Å
74I93.6Very high86.1Confident2 Ų262.6 Ų62.61%0.0131%0.312CS..Hα-helixtrans-62.6-42.8173.5-65.8166.1000110.5Y37 T38 V70 H71 Q76 L77 L78 Y116Y37-I74 HydrophobicContact CD1-CD1 4.25Å; Y37-I74 HydrophobicContact CD1-CG1 4.36Å; Y37-I74 HydrophobicContact CE1-CD1 3.77Å; Y37-I74 HydrophobicContact CE1-CG1 3.91Å; T38-I74 HydrophobicContact CG2-CG2 4.23Å; V70-I74 HydrophobicContact CG1-CD1 3.9Å; V70-I74 HydrophobicContact CG1-CG1 4.48Å; V70-I74 WeakPolarHBondContact O-CG1 3.37Å; V70-I74 PolarHBondContact O-N 3.1Å; H71-I74 PolarHBondContact O-N 3.15Å; I74-Q76 VanDerWaalsContact C-N 3.32Å; I74-Q76 PolarHBondContact O-N 2.79Å; I74-L77 PolarHBondContact O-N 3.15Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.33Å; I74-L78 PolarHBondContact O-N 2.83Å; I74-Y116 HydrophobicContact CB-CE1 4.26Å; I74-Y116 HydrophobicContact CD1-CE1 4.09Å; I74-Y116 HydrophobicContact CG2-CD1 4.07Å; I74-Y116 HydrophobicContact CG2-CE1 3.65Å
75A94.7Very high87.2Confident9 Ų952.8 Ų52.87%0.07428%0.281CS..Hα-helixtrans-59.2-43.3178.200000112.1H71 C72 E73 L78 N79 N115H71-A75 WeakPolarHBondContact O-CB 3.47Å; H71-A75 PolarHBondContact O-N 3.31Å; C72-A75 WeakPolarHBondContact O-CB 3.35Å; C72-A75 PolarHBondContact O-N 3.46Å; E73-A75 VanDerWaalsContact C-N 3.33Å; E73-A75 PolarHBondContact O-N 2.99Å; A75-L78 PolarHBondContact O-N 3.08Å; A75-N79 VanDerWaalsContact O-CB 3.29Å; A75-N79 WeakPolarHBondContact O-CB 3.48Å; A75-N79 VanDerWaalsContact O-CG 3.27Å; A75-N79 PolarHBondContact O-N 2.96Å; A75-N79 PolarHBondContact O-ND2 3.19Å; A75-N115 WeakPolarHBondContact CA-O 3.34Å; A75-N115 HydrophobicContact CB-CB 4.21Å; A75-N115 WeakPolarHBondContact CB-O 3.38Å
76Q93.9Very high88.2Confident103 Ų10360 Ų6048%0.48131%0.312SS..Hα-helixtrans-62.2-49.8176.3-72.6175.9-7.300111.3C72 E73 I74 L78 N79 D80C72-Q76 WeakPolarHBondContact O-CG 3.36Å; C72-Q76 PolarHBondContact O-N 3.26Å; E73-Q76 PolarHBondContact O-N 3.32Å; I74-Q76 VanDerWaalsContact C-N 3.32Å; I74-Q76 PolarHBondContact O-N 2.79Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 3.1Å; Q76-N79 PolarHBondContact O-N 2.97Å; Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.16Å
77L93.3Very high89.3Confident7 Ų753.5 Ų53.54%0.03729%0.286CS..Hα-helixtrans-59.2-45.4177.9-69.1170.9000111.8M1 L7 F34 E73 I74 C81 W370 L374M1-L77 HydrophobicContact CE-CD2 3.84Å; L7-L77 HydrophobicContact CD2-CD1 4.43Å; F34-L77 HydrophobicContact CE2-CB 3.9Å; F34-L77 HydrophobicContact CZ-CB 4.05Å; E73-L77 WeakPolarHBondContact O-CG 3.42Å; E73-L77 PolarHBondContact O-N 3.46Å; I74-L77 PolarHBondContact O-N 3.15Å; L77-C81 WeakPolarHBondContact O-CB 3.06Å; L77-C81 PolarHBondContact O-N 3.49Å; L77-W370 HydrophobicContact CD2-CH2 4.47Å; L77-W370 HydrophobicContact CD2-CZ3 3.84Å; L77-L374 HydrophobicContact CD2-CD2 4.4Å
78L93.3Very high90.2Very high2 Ų251 Ų511%0.0128%0.275CS..Hα-helixtrans-61.3-53.1-179.6-174.270000110.9F34 T38 I74 A75 Q76 D80 C81 S82 L92 Y116 N117F34-L78 HydrophobicContact CE1-CD1 4.43Å; T38-L78 HydrophobicContact CG2-CD1 4.2Å; T38-L78 HydrophobicContact CG2-CD2 4.28Å; I74-L78 VanDerWaalsContact O-CB 3.3Å; I74-L78 WeakPolarHBondContact O-CB 3.33Å; I74-L78 PolarHBondContact O-N 2.83Å; A75-L78 PolarHBondContact O-N 3.08Å; Q76-L78 VanDerWaalsContact C-N 3.35Å; Q76-L78 PolarHBondContact O-N 3.1Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.38Å; L78-C81 PolarHBondContact O-N 3.41Å; L78-S82 WeakPolarHBondContact O-CB 3.43Å; L78-S82 PolarHBondContact O-N 3Å; L78-S82 PolarHBondContact O-OG 3.27Å; L78-S82 VanDerWaalsContact O-OG 3.05Å; L78-L92 HydrophobicContact CD1-CB 3.96Å; L78-L92 HydrophobicContact CD1-CD1 3.49Å; L78-L92 VanDerWaalsContact CD1-CD1 3.49Å; L78-L92 HydrophobicContact CD1-CG 4.37Å; L78-Y116 VanDerWaalsContact CD2-C 3.42Å; L78-Y116 VanDerWaalsContact CD2-O 3.24Å; L78-Y116 WeakPolarHBondContact CD2-O 3.49Å; L78-N117 HydrophobicContact CD2-CB 4.14Å
79N92.9Very high90.6Very high64 Ų6448.4 Ų48.434%0.34226%0.259SS..Hα-helixtrans-64-39-179-73.8-36.9000112.2A75 Q76 K83 N117A75-N79 VanDerWaalsContact O-CB 3.29Å; A75-N79 WeakPolarHBondContact O-CB 3.48Å; A75-N79 VanDerWaalsContact O-CG 3.27Å; A75-N79 PolarHBondContact O-N 2.96Å; A75-N79 PolarHBondContact O-ND2 3.19Å; Q76-N79 PolarHBondContact O-N 2.97Å; N79-K83 WeakPolarHBondContact O-CG 3.35Å; N79-K83 PolarHBondContact O-N 3.11Å; N79-N117 PolarHBondContact OD1-ND2 2.88Å
80D92.9Very high90.7Very high65 Ų6545.3 Ų45.335%0.34825%0.245SC..Hα-helixtrans-72-36.7179.8-79.3-16000112.8Q76 L78 K83 W370Q76-D80 VanDerWaalsContact O-CB 3.24Å; Q76-D80 WeakPolarHBondContact O-CB 3.47Å; Q76-D80 PolarHBondContact O-N 3.16Å; L78-D80 VanDerWaalsContact C-N 3.35Å; L78-D80 PolarHBondContact O-N 3.38Å; D80-K83 WeakPolarHBondContact OD1-CE 3.49Å; D80-K83 IonicContact OD1-NZ 2.81Å; D80-K83 PolarHBondContact OD1-NZ 3.44Å; D80-W370 HydrophobicContact CB-CH2 3.61Å; D80-W370 HydrophobicContact CB-CZ2 3.69Å
81C92.1Very high90.7Very high1 Ų146.6 Ų46.61%0.00725%0.252CS..Hα-helixtrans-70.1-41.1176.9-168.30000111.3F34 L77 L78 K83 I90 W370F34-C81 HydrophobicContact CE1-CB 4.08Å; F34-C81 HydrophobicContact CZ-CB 4.31Å; L77-C81 WeakPolarHBondContact O-CB 3.06Å; L77-C81 PolarHBondContact O-N 3.49Å; L78-C81 PolarHBondContact O-N 3.41Å; C81-K83 VanDerWaalsContact C-N 3.29Å; C81-K83 PolarHBondContact O-N 3.31Å; C81-I90 VanDerWaalsContact O-CG2 3.32Å; C81-I90 WeakPolarHBondContact O-CG2 3.46Å; C81-W370 HydrophobicContact CB-CD2 4.4Å; C81-W370 HydrophobicContact CB-CH2 4.43Å; C81-W370 HydrophobicContact CB-CZ2 4.24Å
82S89.1Confident90.6Very high40 Ų4047.3 Ų47.328%0.2826%0.256SS..THydrogen-bonded Turntrans-83.75.7-178.572.50000115L78L78-S82 WeakPolarHBondContact O-CB 3.43Å; L78-S82 PolarHBondContact O-N 3Å; L78-S82 PolarHBondContact O-OG 3.27Å; L78-S82 VanDerWaalsContact O-OG 3.05Å
83K90.7Very high90.5Very high117 Ų11745 Ų4551%0.50924%0.241SC..SBendtrans-57.4127.1176.6-92.8166.4-174.1170.80110.2N79 D80 C81 S85N79-K83 WeakPolarHBondContact O-CG 3.35Å; N79-K83 PolarHBondContact O-N 3.11Å; D80-K83 WeakPolarHBondContact OD1-CE 3.49Å; D80-K83 IonicContact OD1-NZ 2.81Å; D80-K83 PolarHBondContact OD1-NZ 3.44Å; C81-K83 VanDerWaalsContact C-N 3.29Å; C81-K83 PolarHBondContact O-N 3.31Å; K83-S85 PolarHBondContact O-N 2.83Å
84P86.8Confident90.6Very high137 Ų13744.2 Ų44.289%0.8924%0.237SC*.  trans-53.1132.6175.7-27.434.8000111.2
85S85Confident90.8Very high39 Ų3945.8 Ų45.827%0.27324%0.243SC..BIsolated β-bridgetrans-142.4150.4-178.278.30000111.6K83 G87 V88 N227K83-S85 PolarHBondContact O-N 2.83Å; S85-G87 PolarHBondContact O-N 2.85Å; S85-V88 PolarHBondContact OG-O 2.82Å; S85-V88 VanDerWaalsContact OG-O 3.07Å; S85-N227 WeakPolarHBondContact CB-ND2 3.3Å; S85-N227 PolarHBondContact OG-ND2 3.47Å
86K83.6Confident90.9Very high172 Ų17245.4 Ų45.475%0.74824%0.24SC*.THydrogen-bonded Turntrans-70.7117.7-179.9-171.7176.5-176.3177.60109.7V88K86-V88 VanDerWaalsContact C-N 3.35Å
87G87.6Confident91.1Very high19 Ų1940.5 Ų40.520%0.19622%0.217CC..THydrogen-bonded Turntrans82.81.6174.400000115.5S85 G173 M174S85-G87 PolarHBondContact O-N 2.85Å; G87-G173 CarbonylContact O-C 3.46Å; G87-G173 WeakPolarHBondContact O-CA 3.44Å; G87-M174 WeakPolarHBondContact O-CB 3.36Å; G87-M174 PolarHBondContact O-N 3.13Å
88V89.2Confident91.2Very high8 Ų840.1 Ų40.15%0.04822%0.215CC..EExtended strand (participates in β ladder)trans-130.2123.2165.4174.60000108.6S85 K86 F171 F225 N227 F230S85-V88 PolarHBondContact OG-O 2.82Å; S85-V88 VanDerWaalsContact OG-O 3.07Å; K86-V88 VanDerWaalsContact C-N 3.35Å; V88-F171 HydrophobicContact CG1-CD2 4.33Å; V88-F171 HydrophobicContact CG1-CE2 3.5Å; V88-F171 HydrophobicContact CG1-CZ 3.79Å; V88-F225 HydrophobicContact CG2-CB 3.75Å; V88-F225 HydrophobicContact CG2-CG 4.37Å; V88-N227 HydrophobicContact CB-CB 4.11Å; V88-N227 HydrophobicContact CG2-CB 3.74Å; V88-F230 HydrophobicContact CB-CD2 4.17Å; V88-F230 HydrophobicContact CB-CE2 4.48Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.9Å; V88-F230 HydrophobicContact CG1-CG 4.11Å; V88-F230 HydrophobicContact CG1-CZ 4.39Å; V88-F230 HydrophobicContact CG2-CB 4.44Å; V88-F230 HydrophobicContact CG2-CD2 4.2Å
89E88Confident91.3Very high62 Ų6240.2 Ų40.229%0.2922%0.216SC..EExtended strand (participates in β ladder)trans-108.8123.6170.4177.5170.7-150.700108.7I91 K145 Y170 K172E89-I91 HydrophobicContact CG-CG1 4.32Å; E89-K145 WeakPolarHBondContact OE1-CE 3.48Å; E89-K145 IonicContact OE1-NZ 2.71Å; E89-K145 PolarHBondContact OE1-NZ 2.97Å; E89-Y170 HydrophobicContact CG-CE1 4.32Å; E89-K172 PolarHBondContact N-O 3.23Å; E89-K172 PolarHBondContact O-N 3Å
90I90.2Very high91.3Very high20 Ų2041.7 Ų41.710%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-128.7129.4171.9-171.7175.2000108.5C81 L92 Y170 F171 F230 I376 F377C81-I90 VanDerWaalsContact O-CG2 3.32Å; C81-I90 WeakPolarHBondContact O-CG2 3.46Å; I90-L92 HydrophobicContact CD1-CD1 4.4Å; I90-L92 HydrophobicContact CD1-CD2 4.07Å; I90-L92 HydrophobicContact CD1-CG 4.29Å; I90-L92 HydrophobicContact CG1-CD2 4.14Å; I90-L92 HydrophobicContact CG1-CG 4.21Å; I90-Y170 WeakPolarHBondContact CA-O 3.27Å; I90-F171 HydrophobicContact CB-CD2 4.27Å; I90-F171 HydrophobicContact CD1-CD2 4.39Å; I90-F171 HydrophobicContact CG1-CD2 4.32Å; I90-F230 HydrophobicContact CD1-CE1 4.43Å; I90-F230 HydrophobicContact CG2-CZ 4.46Å; I90-I376 HydrophobicContact CD1-CG2 3.94Å; I90-F377 HydrophobicContact CD1-CE2 4.04Å; I90-F377 HydrophobicContact CG1-CE2 4.49Å
91I89.6Confident91.1Very high27 Ų2743.1 Ų43.114%0.13823%0.228CC..EExtended strand (participates in β ladder)trans-118.1123.8176.1-57.5179.1000106.8E89 A93 Q143 K145 T169 Y170E89-I91 HydrophobicContact CG-CG1 4.32Å; I91-A93 HydrophobicContact CG2-CB 4.24Å; I91-Q143 WeakPolarHBondContact CD1-O 3.27Å; I91-Q143 WeakPolarHBondContact CG2-O 3.27Å; I91-K145 HydrophobicContact CD1-CD 4.38Å; I91-K145 HydrophobicContact CD1-CG 4.31Å; I91-T169 VanDerWaalsContact O-CA 3.24Å; I91-T169 WeakPolarHBondContact O-CA 3.08Å; I91-Y170 HydrophobicContact CD1-CD1 3.78Å; I91-Y170 HydrophobicContact CD1-CE1 4.48Å; I91-Y170 HydrophobicContact CG1-CD1 4.1Å; I91-Y170 PolarHBondContact N-O 3.18Å; I91-Y170 PolarHBondContact O-N 3.24Å
92L91.5Very high91.1Very high26 Ų2643.7 Ų43.714%0.13623%0.232CC..EExtended strand (participates in β ladder)trans-118.792.8175.3-57.8174.3000106.7F34 N35 L78 I90 T169F34-L92 HydrophobicContact CD1-CD1 4.11Å; F34-L92 HydrophobicContact CE1-CD1 3.54Å; N35-L92 HydrophobicContact CB-CD2 4.32Å; L78-L92 HydrophobicContact CD1-CB 3.96Å; L78-L92 HydrophobicContact CD1-CD1 3.49Å; L78-L92 VanDerWaalsContact CD1-CD1 3.49Å; L78-L92 HydrophobicContact CD1-CG 4.37Å; I90-L92 HydrophobicContact CD1-CD1 4.4Å; I90-L92 HydrophobicContact CD1-CD2 4.07Å; I90-L92 HydrophobicContact CD1-CG 4.29Å; I90-L92 HydrophobicContact CG1-CD2 4.14Å; I90-L92 HydrophobicContact CG1-CG 4.21Å; L92-T169 HydrophobicContact CD2-CG2 3.36Å
93A90.5Very high91.4Very high6 Ų652.2 Ų52.25%0.0526%0.258CS..EExtended strand (participates in β ladder)trans-101.4107.5-173.900000109.7I91 W139 Q143 T168I91-A93 HydrophobicContact CG2-CB 4.24Å; A93-W139 HydrophobicContact CB-CH2 4.05Å; A93-W139 HydrophobicContact CB-CZ2 4.46Å; A93-Q143 HydrophobicContact CB-CB 3.68Å; A93-Q143 HydrophobicContact CB-CG 4.07Å; A93-T168 VanDerWaalsContact CB-OG1 3.29Å; A93-T168 WeakPolarHBondContact CB-OG1 3.17Å; A93-T168 PolarHBondContact N-O 3.12Å; A93-T168 PolarHBondContact O-N 3.34Å; A93-T168 PolarHBondContact O-OG1 2.82Å
94N94.9Very high91.6Very high3 Ų346.9 Ų46.92%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-116.3138-179.1-65.1-54.5000110.1N35 M42 A118 T166N35-N94 PolarHBondContact ND2-OD1 3.41Å; N35-N94 PolarHBondContact OD1-ND2 2.84Å; N35-N94 PolarHBondContact OD1-OD1 2.74Å; N35-N94 VanDerWaalsContact OD1-OD1 3.1Å; M42-N94 HydrophobicContact CE-CB 3.75Å; M42-N94 HydrophobicContact SD-CB 4.1Å; N94-A118 HydrophobicContact CB-CB 3.83Å; N94-A118 WeakPolarHBondContact O-CA 3.1Å; N94-T166 WeakPolarHBondContact CA-O 3.45Å
95R96.7Very high92.1Very high34 Ų3444 Ų4413%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-155.1147.3176.7-177.4163.3-71.9-156.50110.2F97 P119 E121 W139 T166R95-F97 HydrophobicContact CB-CD2 4.37Å; R95-F97 HydrophobicContact CB-CE2 3.82Å; R95-F97 HydrophobicContact CB-CZ 4.28Å; R95-F97 HydrophobicContact CG-CD1 4.45Å; R95-F97 HydrophobicContact CG-CD2 3.97Å; R95-F97 HydrophobicContact CG-CE1 4.12Å; R95-F97 HydrophobicContact CG-CE2 3.58Å; R95-F97 HydrophobicContact CG-CG 4.41Å; R95-F97 HydrophobicContact CG-CZ 3.7Å; R95-P119 WeakPolarHBondContact CG-O 3.37Å; R95-P119 VanDerWaalsContact NH2-CG 3.3Å; R95-E121 IonicContact CZ-OE2 3.71Å; R95-E121 IonicContact NE-OE2 2.74Å; R95-E121 IonicContact NH1-OE2 3.34Å; R95-E121 PolarHBondContact NH1-OE2 3.22Å; R95-W139 HydrophobicContact CB-CE3 4.18Å; R95-W139 HydrophobicContact CB-CH2 3.32Å; R95-W139 HydrophobicContact CB-CZ2 3.71Å; R95-W139 HydrophobicContact CB-CZ3 3.59Å; R95-W139 HydrophobicContact CG-CH2 4.4Å; R95-W139 HydrophobicContact CG-CZ2 4.45Å; R95-T166 PolarHBondContact N-O 2.88Å; R95-T166 PolarHBondContact N-OG1 3.23Å; R95-T166 PolarHBondContact O-N 3.46Å; R95-T166 PolarHBondContact O-OG1 3.3Å
96F97.5Very high92.7Very high1 Ų148.2 Ų48.20%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-110.9103.9176.5-166.2-75.8000108.7V98 F108 L112 P119 T120 E121 A163 V165 M315 I317F96-V98 HydrophobicContact CD1-CB 4.39Å; F96-V98 HydrophobicContact CE1-CB 4.18Å; F96-V98 HydrophobicContact CE1-CG2 4.41Å; F96-F108 HydrophobicContact CD1-CE1 4.31Å; F96-F108 HydrophobicContact CD2-CE1 4.37Å; F96-F108 HydrophobicContact CD2-CZ 4.09Å; F96-F108 HydrophobicContact CE1-CE1 4.39Å; F96-F108 HydrophobicContact CE2-CE1 4.45Å; F96-F108 HydrophobicContact CE2-CZ 4.03Å; F96-F108 HydrophobicContact CG-CE1 4.31Å; F96-F108 HydrophobicContact CG-CZ 4.48Å; F96-F108 HydrophobicContact CZ-CE1 4.47Å; F96-F108 HydrophobicContact CZ-CZ 4.36Å; F96-L112 HydrophobicContact CB-CD2 3.64Å; F96-L112 HydrophobicContact CD2-CD2 4.21Å; F96-L112 HydrophobicContact CG-CD2 4.05Å; F96-P119 PolarHBondContact N-O 2.99Å; F96-P119 VanDerWaalsContact N-O 3.16Å; F96-T120 HydrophobicContact CB-CG2 4.25Å; F96-T120 CarbonylContact O-C 3.59Å; F96-T120 VanDerWaalsContact O-CA 3.27Å; F96-T120 WeakPolarHBondContact O-CA 3.18Å; F96-E121 PolarHBondContact O-N 3.26Å; F96-A163 HydrophobicContact CE1-CB 3.81Å; F96-A163 HydrophobicContact CZ-CB 3.83Å; F96-V165 HydrophobicContact CD2-CG2 3.72Å; F96-V165 HydrophobicContact CE2-CG2 3.73Å; F96-M315 HydrophobicContact CE1-CE 3.69Å; F96-M315 HydrophobicContact CZ-CE 3.59Å; F96-I317 HydrophobicContact CE2-CD1 3.71Å; F96-I317 HydrophobicContact CZ-CD1 3.7Å
97F97.3Very high93.2Very high0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-90.2133.7175.4-64.6-85.9000109.4R95 E121 V123 F125 I136 W139 A163 V164 T166R95-F97 HydrophobicContact CB-CD2 4.37Å; R95-F97 HydrophobicContact CB-CE2 3.82Å; R95-F97 HydrophobicContact CB-CZ 4.28Å; R95-F97 HydrophobicContact CG-CD1 4.45Å; R95-F97 HydrophobicContact CG-CD2 3.97Å; R95-F97 HydrophobicContact CG-CE1 4.12Å; R95-F97 HydrophobicContact CG-CE2 3.58Å; R95-F97 HydrophobicContact CG-CG 4.41Å; R95-F97 HydrophobicContact CG-CZ 3.7Å; F97-E121 CarbonylContact C-O 3.6Å; F97-E121 WeakPolarHBondContact CA-O 3.49Å; F97-E121 HydrophobicContact CD1-CB 3.93Å; F97-E121 HydrophobicContact CD1-CG 4.27Å; F97-E121 HydrophobicContact CE1-CB 4.12Å; F97-E121 HydrophobicContact CE1-CG 4.3Å; F97-E121 VanDerWaalsContact CE1-OE2 3.3Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.43Å; F97-V123 HydrophobicContact CB-CG2 4.24Å; F97-V123 HydrophobicContact CD1-CG1 3.82Å; F97-V123 HydrophobicContact CE1-CG1 4.44Å; F97-F125 HydrophobicContact CB-CZ 4.15Å; F97-I136 HydrophobicContact CB-CD1 4.46Å; F97-I136 HydrophobicContact CD1-CD1 4.39Å; F97-I136 HydrophobicContact CD1-CG1 3.76Å; F97-I136 HydrophobicContact CD2-CD1 4.34Å; F97-I136 HydrophobicContact CD2-CG1 4.01Å; F97-I136 HydrophobicContact CD2-CG2 4.37Å; F97-I136 HydrophobicContact CE1-CB 4.46Å; F97-I136 HydrophobicContact CE1-CG1 3.67Å; F97-I136 HydrophobicContact CE2-CB 4.36Å; F97-I136 HydrophobicContact CE2-CG1 3.95Å; F97-I136 HydrophobicContact CE2-CG2 3.83Å; F97-I136 HydrophobicContact CG-CD1 4.15Å; F97-I136 HydrophobicContact CG-CG1 3.9Å; F97-I136 HydrophobicContact CZ-CB 4.13Å; F97-I136 HydrophobicContact CZ-CG1 3.74Å; F97-I136 HydrophobicContact CZ-CG2 4.02Å; F97-W139 HydrophobicContact CE2-CE3 4.01Å; F97-W139 HydrophobicContact CE2-CZ3 4.28Å; F97-W139 HydrophobicContact CZ-CD2 4.18Å; F97-W139 AromaticContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CG 4.5Å; F97-W139 HydrophobicContact CZ-CZ3 4.45Å; F97-A163 CarbonylContact O-C 3.58Å; F97-A163 WeakPolarHBondContact O-CA 3.38Å; F97-V164 HydrophobicContact CB-CB 4.42Å; F97-V164 PolarHBondContact N-O 3.4Å; F97-V164 PolarHBondContact O-N 2.94Å; F97-T166 HydrophobicContact CD2-CG2 3.81Å; F97-T166 HydrophobicContact CE2-CG2 3.6Å
98V95.8Very high93.6Very high0 Ų045.3 Ų45.30%021%0.208CC..EExtended strand (participates in β ladder)trans-132.2152.2-179.775.10000110.4F96 V102 I104 E121 H122 V123 S162 A163 M315F96-V98 HydrophobicContact CD1-CB 4.39Å; F96-V98 HydrophobicContact CE1-CB 4.18Å; F96-V98 HydrophobicContact CE1-CG2 4.41Å; V98-V102 HydrophobicContact CG2-CB 3.7Å; V98-V102 HydrophobicContact CG2-CG1 3.8Å; V98-V102 HydrophobicContact CG2-CG2 3.93Å; V98-I104 HydrophobicContact CB-CD1 4.27Å; V98-I104 HydrophobicContact CG1-CD1 3.35Å; V98-I104 HydrophobicContact CG1-CG1 3.88Å; V98-E121 PolarHBondContact N-O 3.26Å; V98-H122 VanDerWaalsContact CG1-CE1 3.43Å; V98-H122 WeakPolarHBondContact CG1-CE1 3.25Å; V98-H122 VanDerWaalsContact CG1-ND1 3.26Å; V98-H122 WeakPolarHBondContact CG1-ND1 3.36Å; V98-H122 CarbonylContact O-C 3.57Å; V98-H122 WeakPolarHBondContact O-CA 3.5Å; V98-V123 PolarHBondContact O-N 3.38Å; V98-S162 WeakPolarHBondContact CA-O 3.47Å; V98-S162 WeakPolarHBondContact CG2-O 3.31Å; V98-A163 HydrophobicContact CG2-CB 4.41Å; V98-M315 HydrophobicContact CG2-CE 4.01Å; V98-M315 HydrophobicContact CG2-SD 4.36Å
99A94.5Very high94Very high3 Ų347.7 Ų47.73%0.02522%0.217CC..EExtended strand (participates in β ladder)trans-56.6141.3172.300000111.5N101 V102 H122 V123 F125 S162A99-N101 WeakPolarHBondContact CB-OD1 3.48Å; A99-N101 PolarHBondContact O-N 2.91Å; A99-V102 HydrophobicContact CB-CG2 4.18Å; A99-V102 WeakPolarHBondContact O-CB 3.31Å; A99-V102 PolarHBondContact O-N 3.32Å; A99-V102 VanDerWaalsContact O-N 3.12Å; A99-H122 PolarHBondContact O-ND1 2.91Å; A99-V123 CarbonylContact C-O 3.26Å; A99-V123 WeakPolarHBondContact CA-O 3.37Å; A99-F125 HydrophobicContact CB-CD2 4.02Å; A99-S162 PolarHBondContact N-O 3.45Å
100Q93.1Very high94.4Very high95 Ų9546.8 Ų46.844%0.44422%0.22SC..THydrogen-bonded Turntrans-61.6-24.7-174.966.7-171.5-1.200115V102 V123 A124 T127Q100-V102 VanDerWaalsContact C-N 3.34Å; Q100-V123 PolarHBondContact N-O 3.26Å; Q100-A124 VanDerWaalsContact OE1-CB 3.27Å; Q100-T127 PolarHBondContact NE2-OG1 3.27Å; Q100-T127 VanDerWaalsContact NE2-OG1 3.11Å
101N90Very high94.6Very high95 Ų9547.6 Ų47.651%0.50823%0.225SC..THydrogen-bonded Turntrans-80.9-12.2178.558.5-12.9000113.4A99 E126A99-N101 WeakPolarHBondContact CB-OD1 3.48Å; A99-N101 PolarHBondContact O-N 2.91Å; N101-E126 PolarHBondContact ND2-OE1 3.34Å
102V92.2Very high95Very high13 Ų1346.3 Ų46.38%0.07922%0.219CC..  trans-81.6125.5179.9177.40000109.8V98 A99 Q100 I104 H122 M315V98-V102 HydrophobicContact CG2-CB 3.7Å; V98-V102 HydrophobicContact CG2-CG1 3.8Å; V98-V102 HydrophobicContact CG2-CG2 3.93Å; A99-V102 HydrophobicContact CB-CG2 4.18Å; A99-V102 WeakPolarHBondContact O-CB 3.31Å; A99-V102 PolarHBondContact O-N 3.32Å; A99-V102 VanDerWaalsContact O-N 3.12Å; Q100-V102 VanDerWaalsContact C-N 3.34Å; V102-I104 PolarHBondContact O-N 2.94Å; V102-H122 PolarHBondContact O-CE1 3.43Å; V102-M315 HydrophobicContact CG1-SD 3.85Å
103R94Very high95.2Very high219 Ų21952.5 Ų52.583%0.82624%0.244SC*.  trans-86.8105.7171.9-173176.2-179.9175.20.1110.4S310R103-S310 VanDerWaalsContact O-CB 3.29Å; R103-S310 WeakPolarHBondContact O-CB 3.4Å; R103-S310 PolarHBondContact O-OG 2.64Å
104I96Very high95.4Very high6 Ų656.6 Ų56.63%0.03127%0.269CS..  trans-76.8135.7177.5-57.2166.1000110.8V98 V102 F108 K109 T120 V309V98-I104 HydrophobicContact CB-CD1 4.27Å; V98-I104 HydrophobicContact CG1-CD1 3.35Å; V98-I104 HydrophobicContact CG1-CG1 3.88Å; V102-I104 PolarHBondContact O-N 2.94Å; I104-F108 HydrophobicContact CG2-CB 4.37Å; I104-F108 HydrophobicContact CG2-CD1 3.73Å; I104-K109 HydrophobicContact CB-CG 4.46Å; I104-K109 HydrophobicContact CG2-CD 4.43Å; I104-K109 HydrophobicContact CG2-CG 3.7Å; I104-T120 HydrophobicContact CD1-CG2 4.08Å; I104-V309 CarbonylContact C-O 3.49Å; I104-V309 WeakPolarHBondContact CA-O 3.5Å; I104-V309 HydrophobicContact CG2-CG1 4.28Å
105K97Very high95.4Very high75 Ų7557.4 Ų57.433%0.32627%0.273SS..  trans-66.5135171.7-68.2-179.2176.7178.30111.3Q107 F108 K109 S307 V309 N311K105-Q107 PolarHBondContact O-N 2.97Å; K105-F108 PolarHBondContact O-N 2.91Å; K105-F108 VanDerWaalsContact O-N 3.11Å; K105-K109 PolarHBondContact O-N 2.94Å; K105-S307 VanDerWaalsContact CE-O 3.23Å; K105-S307 WeakPolarHBondContact CE-O 3.33Å; K105-S307 PolarHBondContact NZ-O 2.79Å; K105-V309 PolarHBondContact N-O 2.8Å; K105-N311 WeakPolarHBondContact CE-OD1 3.49Å; K105-N311 PolarHBondContact NZ-OD1 3.01Å
106E96.9Very high95.3Very high128 Ų12855.8 Ų55.860%0.59827%0.267SS*.Hα-helixtrans-61.1-33.4179.6-67.8-55.4131.500112.9F108 K109 A110E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 3.42Å; E106-K109 PolarHBondContact O-N 3.02Å; E106-K109 IonicContact OE1-NZ 3.26Å; E106-K109 PolarHBondContact OE1-NZ 3.34Å; E106-K109 IonicContact OE2-NZ 2.75Å; E106-A110 WeakPolarHBondContact O-CB 3.19Å; E106-A110 PolarHBondContact O-N 2.77Å
107Q95.5Very high95.1Very high128 Ų12859.7 Ų59.760%0.59829%0.288SS*.Hα-helixtrans-60.4-41.7175.6-172.260.846.200112.1K105 A110 N111K105-Q107 PolarHBondContact O-N 2.97Å; Q107-A110 PolarHBondContact O-N 3.37Å; Q107-N111 PolarHBondContact NE2-OD1 2.75Å; Q107-N111 WeakPolarHBondContact O-CB 3.4Å; Q107-N111 PolarHBondContact O-N 3.44Å; Q107-N111 PolarHBondContact O-OD1 3.01Å
108F96.3Very high95Very high3 Ų359.7 Ų59.71%0.01329%0.288CS..Hα-helixtrans-65.1-44177.3179.5-104.8000111.3G46 F96 I104 K105 E106 A110 N111 L112 T120 N308 V309G46-F108 VanDerWaalsContact CA-CE2 3.47Å; F96-F108 HydrophobicContact CD1-CE1 4.31Å; F96-F108 HydrophobicContact CD2-CE1 4.37Å; F96-F108 HydrophobicContact CD2-CZ 4.09Å; F96-F108 HydrophobicContact CE1-CE1 4.39Å; F96-F108 HydrophobicContact CE2-CE1 4.45Å; F96-F108 HydrophobicContact CE2-CZ 4.03Å; F96-F108 HydrophobicContact CG-CE1 4.31Å; F96-F108 HydrophobicContact CG-CZ 4.48Å; F96-F108 HydrophobicContact CZ-CE1 4.47Å; F96-F108 HydrophobicContact CZ-CZ 4.36Å; I104-F108 HydrophobicContact CG2-CB 4.37Å; I104-F108 HydrophobicContact CG2-CD1 3.73Å; K105-F108 PolarHBondContact O-N 2.91Å; K105-F108 VanDerWaalsContact O-N 3.11Å; E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 3.42Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.32Å; F108-N111 PolarHBondContact O-N 3.35Å; F108-L112 HydrophobicContact CD1-CD1 4.22Å; F108-L112 HydrophobicContact CD1-CD2 4.27Å; F108-L112 HydrophobicContact CD2-CD1 3.69Å; F108-L112 HydrophobicContact CE1-CD1 3.85Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.3Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.36Å; F108-L112 HydrophobicContact CE2-CG 4.42Å; F108-L112 HydrophobicContact CG-CD1 4.17Å; F108-L112 HydrophobicContact CZ-CD1 3.34Å; F108-L112 HydrophobicContact CZ-CD2 3.56Å; F108-L112 HydrophobicContact CZ-CG 4.09Å; F108-L112 WeakPolarHBondContact O-CB 3.44Å; F108-L112 WeakPolarHBondContact O-CD1 3.28Å; F108-L112 PolarHBondContact O-N 3.37Å; F108-T120 HydrophobicContact CD1-CG2 4.26Å; F108-T120 HydrophobicContact CE1-CG2 4.12Å; F108-N308 WeakPolarHBondContact CB-O 3.18Å; F108-V309 HydrophobicContact CD1-CB 4.35Å; F108-V309 HydrophobicContact CD1-CG1 3.77Å; F108-V309 HydrophobicContact CD1-CG2 4.26Å; F108-V309 HydrophobicContact CD2-CG2 3.93Å; F108-V309 HydrophobicContact CE1-CB 4.41Å; F108-V309 HydrophobicContact CE1-CG1 3.73Å; F108-V309 HydrophobicContact CE1-CG2 4.02Å; F108-V309 HydrophobicContact CE2-CG2 3.69Å; F108-V309 HydrophobicContact CG-CB 4.43Å; F108-V309 HydrophobicContact CG-CG1 4.32Å; F108-V309 HydrophobicContact CG-CG2 4.21Å; F108-V309 HydrophobicContact CZ-CG1 4.28Å; F108-V309 HydrophobicContact CZ-CG2 3.72Å
109K97.4Very high94.9Very high57 Ų5762.2 Ų62.225%0.24830%0.304CS..Hα-helixtrans-58.6-43.1174.7-59.3-175.8-173.51630111.8I104 K105 E106 K113 T120I104-K109 HydrophobicContact CB-CG 4.46Å; I104-K109 HydrophobicContact CG2-CD 4.43Å; I104-K109 HydrophobicContact CG2-CG 3.7Å; K105-K109 PolarHBondContact O-N 2.94Å; E106-K109 PolarHBondContact O-N 3.02Å; E106-K109 IonicContact OE1-NZ 3.26Å; E106-K109 PolarHBondContact OE1-NZ 3.34Å; E106-K109 IonicContact OE2-NZ 2.75Å; K109-K113 WeakPolarHBondContact O-CB 3.48Å; K109-K113 PolarHBondContact O-N 3.25Å; K109-T120 HydrophobicContact CG-CG2 4.15Å
110A96.1Very high95Very high43 Ų4363.5 Ų63.536%0.35531%0.312SS..Hα-helixtrans-64-44.8178.200000111.5E106 Q107 F108 K113 T114E106-A110 WeakPolarHBondContact O-CB 3.19Å; E106-A110 PolarHBondContact O-N 2.77Å; Q107-A110 PolarHBondContact O-N 3.37Å; F108-A110 VanDerWaalsContact C-N 3.3Å; F108-A110 PolarHBondContact O-N 3.32Å; A110-K113 PolarHBondContact O-N 3.03Å; A110-T114 VanDerWaalsContact O-CB 3.28Å; A110-T114 WeakPolarHBondContact O-CB 3.34Å; A110-T114 PolarHBondContact O-N 3.49Å; A110-T114 PolarHBondContact O-OG1 3.46Å
111N94.8Very high95.1Very high38 Ų3860.6 Ų60.620%0.20330%0.298CS..Hα-helixtrans-61-47.2177.3-72.31.7000111.7Q107 F108 T114 N115Q107-N111 PolarHBondContact NE2-OD1 2.75Å; Q107-N111 WeakPolarHBondContact O-CB 3.4Å; Q107-N111 PolarHBondContact O-N 3.44Å; Q107-N111 PolarHBondContact O-OD1 3.01Å; F108-N111 PolarHBondContact O-N 3.35Å; N111-T114 PolarHBondContact O-N 3.42Å; N111-N115 WeakPolarHBondContact O-CB 3.4Å; N111-N115 PolarHBondContact O-N 3.49Å
112L96.5Very high95.5Very high0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-61.9-44.2178-100.867000112.5M42 F96 F108 Y116 N117 A118 T120M42-L112 HydrophobicContact CB-CG 4.4Å; M42-L112 HydrophobicContact CG-CG 4.34Å; F96-L112 HydrophobicContact CB-CD2 3.64Å; F96-L112 HydrophobicContact CD2-CD2 4.21Å; F96-L112 HydrophobicContact CG-CD2 4.05Å; F108-L112 HydrophobicContact CD1-CD1 4.22Å; F108-L112 HydrophobicContact CD1-CD2 4.27Å; F108-L112 HydrophobicContact CD2-CD1 3.69Å; F108-L112 HydrophobicContact CE1-CD1 3.85Å; F108-L112 HydrophobicContact CE1-CD2 3.51Å; F108-L112 HydrophobicContact CE1-CG 4.3Å; F108-L112 HydrophobicContact CE2-CD1 3.24Å; F108-L112 HydrophobicContact CE2-CD2 4.36Å; F108-L112 HydrophobicContact CE2-CG 4.42Å; F108-L112 HydrophobicContact CG-CD1 4.17Å; F108-L112 HydrophobicContact CZ-CD1 3.34Å; F108-L112 HydrophobicContact CZ-CD2 3.56Å; F108-L112 HydrophobicContact CZ-CG 4.09Å; F108-L112 WeakPolarHBondContact O-CB 3.44Å; F108-L112 WeakPolarHBondContact O-CD1 3.28Å; F108-L112 PolarHBondContact O-N 3.37Å; L112-Y116 CarbonylContact O-C 3.52Å; L112-Y116 WeakPolarHBondContact O-CA 3.36Å; L112-Y116 WeakPolarHBondContact O-CB 3.32Å; L112-Y116 PolarHBondContact O-N 3.34Å; L112-Y116 VanDerWaalsContact O-N 3.08Å; L112-N117 PolarHBondContact O-N 3.09Å; L112-A118 CarbonylContact C-O 3.57Å; L112-A118 WeakPolarHBondContact CB-O 3.35Å; L112-A118 PolarHBondContact O-N 3.48Å; L112-T120 HydrophobicContact CD2-CG2 3.8Å
113K95.5Very high95.6Very high156 Ų15659.8 Ų59.868%0.67829%0.291SS*.Hα-helixtrans-63-43.2175.6-175.4178.8178.5-177.50112K109 A110K109-K113 WeakPolarHBondContact O-CB 3.48Å; K109-K113 PolarHBondContact O-N 3.25Å; A110-K113 PolarHBondContact O-N 3.03Å
114T94.8Very high95.6Very high91 Ų9150.2 Ų50.256%0.55826%0.259SS*.Hα-helixtrans-76.3-44.3-172.5-55.90000112A110 N111A110-T114 VanDerWaalsContact O-CB 3.28Å; A110-T114 WeakPolarHBondContact O-CB 3.34Å; A110-T114 PolarHBondContact O-N 3.49Å; A110-T114 PolarHBondContact O-OG1 3.46Å; N111-T114 PolarHBondContact O-N 3.42Å
115N95.1Very high95.5Very high21 Ų2150 Ų5011%0.11226%0.258CS..Hα-helixtrans-99-20.2-168.8-61.9-35.1000113.6H71 A75 N111H71-N115 HydrophobicContact CB-CB 4.16Å; A75-N115 WeakPolarHBondContact CA-O 3.34Å; A75-N115 HydrophobicContact CB-CB 4.21Å; A75-N115 WeakPolarHBondContact CB-O 3.38Å; N111-N115 WeakPolarHBondContact O-CB 3.4Å; N111-N115 PolarHBondContact O-N 3.49Å
116Y95.5Very high95.2Very high0 Ų050.9 Ų50.90%026%0.263CS..Hα-helixtrans-126.5-1.6-170.4-62.2-78.5000114.1T38 G41 M42 H71 I74 L78 L112 A118T38-Y116 HydrophobicContact CG2-CD1 3.69Å; T38-Y116 HydrophobicContact CG2-CE1 4.36Å; T38-Y116 WeakPolarHBondContact O-CD1 3.3Å; T38-Y116 VanDerWaalsContact O-CE1 3.31Å; T38-Y116 WeakPolarHBondContact O-CE1 3.3Å; G41-Y116 WeakPolarHBondContact CA-OH 3.35Å; G41-Y116 PolarHBondContact O-OH 2.89Å; M42-Y116 HydrophobicContact CG-CD1 3.71Å; M42-Y116 HydrophobicContact CG-CD2 3.99Å; M42-Y116 HydrophobicContact CG-CE1 4.33Å; M42-Y116 HydrophobicContact CG-CG 3.52Å; H71-Y116 AromaticContact ND1-CE2 3.84Å; H71-Y116 AromaticContact ND1-CZ 3.66Å; H71-Y116 PolarHBondContact ND1-OH 2.93Å; I74-Y116 HydrophobicContact CB-CE1 4.26Å; I74-Y116 HydrophobicContact CD1-CE1 4.09Å; I74-Y116 HydrophobicContact CG2-CD1 4.07Å; I74-Y116 HydrophobicContact CG2-CE1 3.65Å; L78-Y116 VanDerWaalsContact CD2-C 3.42Å; L78-Y116 VanDerWaalsContact CD2-O 3.24Å; L78-Y116 WeakPolarHBondContact CD2-O 3.49Å; L112-Y116 CarbonylContact O-C 3.52Å; L112-Y116 WeakPolarHBondContact O-CA 3.36Å; L112-Y116 WeakPolarHBondContact O-CB 3.32Å; L112-Y116 PolarHBondContact O-N 3.34Å; L112-Y116 VanDerWaalsContact O-N 3.08Å; Y116-A118 PolarHBondContact O-N 3.43Å
117N93.4Very high95Very high82 Ų8249.9 Ų49.944%0.43927%0.266SS..SBendtrans4831.5-169.7-66-30000112.4L78 N79 L112L78-N117 HydrophobicContact CD2-CB 4.14Å; N79-N117 PolarHBondContact OD1-ND2 2.88Å; L112-N117 PolarHBondContact O-N 3.09Å
118A94.7Very high95Very high0 Ų047.7 Ų47.70%026%0.258CS..  trans-116.8108.1-169.400000109.8M42 N94 L112 Y116M42-A118 HydrophobicContact CG-CB 4.45Å; M42-A118 HydrophobicContact SD-CB 3.24Å; M42-A118 WeakPolarHBondContact SD-CB 3.18Å; N94-A118 HydrophobicContact CB-CB 3.83Å; N94-A118 WeakPolarHBondContact O-CA 3.1Å; L112-A118 CarbonylContact C-O 3.57Å; L112-A118 WeakPolarHBondContact CB-O 3.35Å; L112-A118 PolarHBondContact O-N 3.48Å; Y116-A118 PolarHBondContact O-N 3.43Å
119P93.7Very high94.9Very high54 Ų5449.8 Ų49.835%0.35127%0.269SS..  trans-72.5158.9172.529.2-32.7000111.2R95 F96R95-P119 WeakPolarHBondContact CG-O 3.37Å; R95-P119 VanDerWaalsContact NH2-CG 3.3Å; F96-P119 PolarHBondContact N-O 2.99Å; F96-P119 VanDerWaalsContact N-O 3.16Å
120T96.2Very high94.9Very high30 Ų3051.1 Ų51.118%0.18428%0.276CS..EExtended strand (participates in β ladder)trans-94.1143166.559.20000110F96 I104 F108 K109 L112F96-T120 HydrophobicContact CB-CG2 4.25Å; F96-T120 CarbonylContact O-C 3.59Å; F96-T120 VanDerWaalsContact O-CA 3.27Å; F96-T120 WeakPolarHBondContact O-CA 3.18Å; I104-T120 HydrophobicContact CD1-CG2 4.08Å; F108-T120 HydrophobicContact CD1-CG2 4.26Å; F108-T120 HydrophobicContact CE1-CG2 4.12Å; K109-T120 HydrophobicContact CG-CG2 4.15Å; L112-T120 HydrophobicContact CD2-CG2 3.8Å
121E96.7Very high94.9Very high34 Ų3450.2 Ų50.216%0.15927%0.271CS..EExtended strand (participates in β ladder)trans-135.5133.5175.3-176.4167.7-169.300111.3R95 F96 F97 V98 V123 R135R95-E121 IonicContact CZ-OE2 3.71Å; R95-E121 IonicContact NE-OE2 2.74Å; R95-E121 IonicContact NH1-OE2 3.34Å; R95-E121 PolarHBondContact NH1-OE2 3.22Å; F96-E121 PolarHBondContact O-N 3.26Å; F97-E121 CarbonylContact C-O 3.6Å; F97-E121 WeakPolarHBondContact CA-O 3.49Å; F97-E121 HydrophobicContact CD1-CB 3.93Å; F97-E121 HydrophobicContact CD1-CG 4.27Å; F97-E121 HydrophobicContact CE1-CB 4.12Å; F97-E121 HydrophobicContact CE1-CG 4.3Å; F97-E121 VanDerWaalsContact CE1-OE2 3.3Å; F97-E121 WeakPolarHBondContact CE1-OE2 3.43Å; V98-E121 PolarHBondContact N-O 3.26Å; E121-V123 HydrophobicContact CG-CG1 4.34Å; E121-R135 IonicContact OE1-CZ 2.8Å; E121-R135 VanDerWaalsContact OE1-CZ 3.24Å; E121-R135 IonicContact OE1-NE 3.98Å; E121-R135 PolarHBondContact OE1-NE 3.46Å; E121-R135 IonicContact OE1-NH2 3.56Å; E121-R135 PolarHBondContact OE1-NH2 3.32Å; E121-R135 IonicContact OE2-NE 2.84Å; E121-R135 IonicContact OE2-NH2 3.24Å
122H96.4Very high95Very high81 Ų8148.6 Ų48.638%0.37526%0.263SS..EExtended strand (participates in β ladder)trans-81.8133.6171.7-71.9-70.8000110.1V98 A99 V102V98-H122 VanDerWaalsContact CG1-CE1 3.43Å; V98-H122 WeakPolarHBondContact CG1-CE1 3.25Å; V98-H122 VanDerWaalsContact CG1-ND1 3.26Å; V98-H122 WeakPolarHBondContact CG1-ND1 3.36Å; V98-H122 CarbonylContact O-C 3.57Å; V98-H122 WeakPolarHBondContact O-CA 3.5Å; A99-H122 PolarHBondContact O-ND1 2.91Å; V102-H122 PolarHBondContact O-CE1 3.43Å
123V95.3Very high94.9Very high9 Ų950 Ų506%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-135.1156.2175.4-65.20000110.9F97 V98 A99 Q100 E121 F125 R135F97-V123 HydrophobicContact CB-CG2 4.24Å; F97-V123 HydrophobicContact CD1-CG1 3.82Å; F97-V123 HydrophobicContact CE1-CG1 4.44Å; V98-V123 PolarHBondContact O-N 3.38Å; A99-V123 CarbonylContact C-O 3.26Å; A99-V123 WeakPolarHBondContact CA-O 3.37Å; Q100-V123 PolarHBondContact N-O 3.26Å; E121-V123 HydrophobicContact CG-CG1 4.34Å; V123-F125 VanDerWaalsContact C-N 3.32Å; V123-F125 HydrophobicContact CG2-CD1 3.82Å; V123-F125 HydrophobicContact CG2-CD2 3.75Å; V123-F125 HydrophobicContact CG2-CE1 3.38Å; V123-F125 HydrophobicContact CG2-CE2 3.31Å; V123-F125 HydrophobicContact CG2-CG 4Å; V123-F125 HydrophobicContact CG2-CZ 3.11Å; V123-F125 PolarHBondContact O-N 3Å; V123-F125 VanDerWaalsContact O-N 3.14Å; V123-R135 HydrophobicContact CG1-CG 4.44Å
124A94.7Very high95Very high19 Ų1946.5 Ų46.516%0.15726%0.257CS..  trans-90.553.9-168.700000112.4Q100 E126 T127 D128 S132Q100-A124 VanDerWaalsContact OE1-CB 3.27Å; A124-E126 PolarHBondContact O-N 3.18Å; A124-E126 VanDerWaalsContact O-N 3.14Å; A124-T127 PolarHBondContact O-N 3.34Å; A124-D128 HydrophobicContact CB-CB 4.14Å; A124-D128 CarbonylContact O-C 3.41Å; A124-D128 VanDerWaalsContact O-C 3.26Å; A124-D128 WeakPolarHBondContact O-CA 3.24Å; A124-D128 PolarHBondContact O-N 3.38Å; A124-S132 PolarHBondContact N-OG 3.19Å; A124-S132 VanDerWaalsContact N-OG 3.11Å; A124-S132 PolarHBondContact O-OG 2.79Å
125F93.2Very high95.1Very high1 Ų146 Ų460%0.00425%0.245CC..THydrogen-bonded Turntrans-55.4-34-175.2-65.1-52.3000114F97 A99 V123 I129 S132 I136 L157 T161 V164F97-F125 HydrophobicContact CB-CZ 4.15Å; A99-F125 HydrophobicContact CB-CD2 4.02Å; V123-F125 VanDerWaalsContact C-N 3.32Å; V123-F125 HydrophobicContact CG2-CD1 3.82Å; V123-F125 HydrophobicContact CG2-CD2 3.75Å; V123-F125 HydrophobicContact CG2-CE1 3.38Å; V123-F125 HydrophobicContact CG2-CE2 3.31Å; V123-F125 HydrophobicContact CG2-CG 4Å; V123-F125 HydrophobicContact CG2-CZ 3.11Å; V123-F125 PolarHBondContact O-N 3Å; V123-F125 VanDerWaalsContact O-N 3.14Å; F125-I129 WeakPolarHBondContact O-CG1 3.33Å; F125-S132 PolarHBondContact N-OG 2.62Å; F125-I136 HydrophobicContact CE1-CD1 4.04Å; F125-I136 HydrophobicContact CZ-CD1 4.33Å; F125-L157 HydrophobicContact CD1-CD1 4.12Å; F125-L157 HydrophobicContact CE1-CD1 3.87Å; F125-L157 HydrophobicContact CE1-CD2 4.08Å; F125-T161 WeakPolarHBondContact CB-O 3.34Å; F125-T161 HydrophobicContact CD1-CG2 3.97Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 WeakPolarHBondContact CD2-O 3.44Å; F125-T161 HydrophobicContact CE1-CG2 3.95Å; F125-T161 HydrophobicContact CE2-CG2 3.75Å; F125-T161 HydrophobicContact CG-CG2 3.88Å; F125-T161 HydrophobicContact CZ-CG2 3.82Å; F125-V164 HydrophobicContact CE1-CG2 4.42Å; F125-V164 HydrophobicContact CZ-CB 4.38Å; F125-V164 HydrophobicContact CZ-CG2 3.9Å
126E90.4Very high95.2Very high94 Ų9445 Ų4544%0.43924%0.239SC..THydrogen-bonded Turntrans-79.8-32.4-178.9-68.6174-167.300113.8N101 A124 N159N101-E126 PolarHBondContact ND2-OE1 3.34Å; A124-E126 PolarHBondContact O-N 3.18Å; A124-E126 VanDerWaalsContact O-N 3.14Å; E126-N159 WeakPolarHBondContact CG-O 3.4Å
127T93.4Very high95.2Very high106 Ų10645.5 Ų45.565%0.6524%0.242SC*.THydrogen-bonded Turntrans-111.1-22-169.656.80000113.8Q100 A124Q100-T127 PolarHBondContact NE2-OG1 3.27Å; Q100-T127 VanDerWaalsContact NE2-OG1 3.11Å; A124-T127 PolarHBondContact O-N 3.34Å
128D95.2Very high95.3Very high83 Ų8346.4 Ų46.444%0.44424%0.244SC..  trans-152.376.1-179-175.312.4000110.9A124 E130 G131 S132A124-D128 HydrophobicContact CB-CB 4.14Å; A124-D128 CarbonylContact O-C 3.41Å; A124-D128 VanDerWaalsContact O-C 3.26Å; A124-D128 WeakPolarHBondContact O-CA 3.24Å; A124-D128 PolarHBondContact O-N 3.38Å; D128-E130 PolarHBondContact O-N 2.93Å; D128-G131 WeakPolarHBondContact OD1-CA 3.47Å; D128-G131 PolarHBondContact OD1-N 3.2Å; D128-G131 WeakPolarHBondContact OD2-CA 3.46Å; D128-S132 WeakPolarHBondContact O-CB 3.45Å; D128-S132 PolarHBondContact O-N 3.07Å; D128-S132 PolarHBondContact O-OG 3.03Å
129I94.7Very high95.4Very high46 Ų4646.7 Ų46.724%0.23625%0.245CC..Hα-helixtrans-59.2-47.2179.3-65165.9000111.2F125 S132 R133 L157 N159F125-I129 WeakPolarHBondContact O-CG1 3.33Å; I129-S132 WeakPolarHBondContact O-CB 3.47Å; I129-S132 PolarHBondContact O-N 3.11Å; I129-R133 WeakPolarHBondContact O-CB 3.19Å; I129-R133 PolarHBondContact O-N 3.01Å; I129-L157 HydrophobicContact CG2-CB 3.76Å; I129-N159 WeakPolarHBondContact CD1-OD1 3.37Å; I129-N159 VanDerWaalsContact CG1-OD1 3.32Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.12Å
130E95.9Very high95.4Very high86 Ų8644.1 Ų44.140%0.40223%0.228SC..Hα-helixtrans-71-37.9-175-75.8-59126.400111.9D128 S132 R133 N134D128-E130 PolarHBondContact O-N 2.93Å; E130-S132 VanDerWaalsContact C-N 3.33Å; E130-R133 PolarHBondContact O-N 3.15Å; E130-R133 IonicContact OE1-NE 3.48Å; E130-R133 PolarHBondContact OE1-NE 3.43Å; E130-R133 IonicContact OE2-CZ 3.23Å; E130-R133 VanDerWaalsContact OE2-CZ 3.23Å; E130-R133 IonicContact OE2-NE 2.79Å; E130-R133 PolarHBondContact OE2-NE 3.05Å; E130-R133 IonicContact OE2-NH2 3.31Å; E130-R133 PolarHBondContact OE2-NH2 3.37Å; E130-N134 WeakPolarHBondContact O-CB 3.29Å; E130-N134 PolarHBondContact O-N 2.85Å; E130-N134 PolarHBondContact O-ND2 3.14Å
131G96.6Very high95.3Very high24 Ų2444.3 Ų44.325%0.24723%0.23CC..Hα-helixtrans-61.5-41.9169.600000112.1D128 N134 R135D128-G131 WeakPolarHBondContact OD1-CA 3.47Å; D128-G131 PolarHBondContact OD1-N 3.2Å; D128-G131 WeakPolarHBondContact OD2-CA 3.46Å; G131-N134 PolarHBondContact O-N 3.43Å; G131-R135 VanDerWaalsContact O-CB 3.27Å; G131-R135 WeakPolarHBondContact O-CB 3.37Å; G131-R135 PolarHBondContact O-N 3.17Å
132S96.4Very high95.2Very high4 Ų447.4 Ų47.43%0.02825%0.245CC..Hα-helixtrans-62.8-44.1175-58.60000112A124 F125 D128 I129 E130 R135 I136A124-S132 PolarHBondContact N-OG 3.19Å; A124-S132 VanDerWaalsContact N-OG 3.11Å; A124-S132 PolarHBondContact O-OG 2.79Å; F125-S132 PolarHBondContact N-OG 2.62Å; D128-S132 WeakPolarHBondContact O-CB 3.45Å; D128-S132 PolarHBondContact O-N 3.07Å; D128-S132 PolarHBondContact O-OG 3.03Å; I129-S132 WeakPolarHBondContact O-CB 3.47Å; I129-S132 PolarHBondContact O-N 3.11Å; E130-S132 VanDerWaalsContact C-N 3.33Å; S132-R135 PolarHBondContact O-N 3.37Å; S132-I136 VanDerWaalsContact O-CG1 3.32Å; S132-I136 WeakPolarHBondContact O-CG1 2.96Å; S132-I136 PolarHBondContact O-N 2.78Å
133R96Very high94.9Very high29 Ų2947.4 Ų47.411%0.10925%0.245CC..Hα-helixtrans-59-51175.3-171.5-176.666.866.913111.2I129 E130 R135 I136 N137 I152 L157I129-R133 WeakPolarHBondContact O-CB 3.19Å; I129-R133 PolarHBondContact O-N 3.01Å; E130-R133 PolarHBondContact O-N 3.15Å; E130-R133 IonicContact OE1-NE 3.48Å; E130-R133 PolarHBondContact OE1-NE 3.43Å; E130-R133 IonicContact OE2-CZ 3.23Å; E130-R133 VanDerWaalsContact OE2-CZ 3.23Å; E130-R133 IonicContact OE2-NE 2.79Å; E130-R133 PolarHBondContact OE2-NE 3.05Å; E130-R133 IonicContact OE2-NH2 3.31Å; E130-R133 PolarHBondContact OE2-NH2 3.37Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.4Å; R133-I136 PolarHBondContact O-N 3.13Å; R133-N137 PolarHBondContact NH1-ND2 3.45Å; R133-N137 WeakPolarHBondContact O-CB 3.46Å; R133-N137 PolarHBondContact O-N 3.16Å; R133-N137 PolarHBondContact O-ND2 3.1Å; R133-I152 HydrophobicContact CG-CB 3.95Å; R133-I152 HydrophobicContact CG-CG2 3.75Å; R133-I152 WeakPolarHBondContact CG-O 3.37Å; R133-L157 HydrophobicContact CB-CD1 3.98Å
134N97Very high94.6Very high82 Ų8247 Ų4744%0.43924%0.242SC..Hα-helixtrans-62.3-39.8179.2-71.6-27.1000111.3E130 G131 N137 Q138E130-N134 WeakPolarHBondContact O-CB 3.29Å; E130-N134 PolarHBondContact O-N 2.85Å; E130-N134 PolarHBondContact O-ND2 3.14Å; G131-N134 PolarHBondContact O-N 3.43Å; N134-N137 PolarHBondContact O-N 3.15Å; N134-Q138 VanDerWaalsContact O-CB 3.23Å; N134-Q138 WeakPolarHBondContact O-CB 3.34Å; N134-Q138 PolarHBondContact O-N 3.04Å
135R97Very high94.3Very high81 Ų8152.6 Ų52.631%0.30626%0.263SS..Hα-helixtrans-62.1-45.7177.3177.357.1-173.2147.92.8112.3E121 V123 G131 S132 R133 W139E121-R135 IonicContact OE1-CZ 2.8Å; E121-R135 VanDerWaalsContact OE1-CZ 3.24Å; E121-R135 IonicContact OE1-NE 3.98Å; E121-R135 PolarHBondContact OE1-NE 3.46Å; E121-R135 IonicContact OE1-NH2 3.56Å; E121-R135 PolarHBondContact OE1-NH2 3.32Å; E121-R135 IonicContact OE2-NE 2.84Å; E121-R135 IonicContact OE2-NH2 3.24Å; V123-R135 HydrophobicContact CG1-CG 4.44Å; G131-R135 VanDerWaalsContact O-CB 3.27Å; G131-R135 WeakPolarHBondContact O-CB 3.37Å; G131-R135 PolarHBondContact O-N 3.17Å; S132-R135 PolarHBondContact O-N 3.37Å; R133-R135 VanDerWaalsContact C-N 3.31Å; R133-R135 PolarHBondContact O-N 3.4Å; R135-W139 WeakPolarHBondContact O-CB 3.43Å; R135-W139 PolarHBondContact O-N 2.87Å
136I95.8Very high94.2Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-62.9-48.8177.3-64.8165.6000110.1F97 F125 S132 R133 Q138 W139 V140 L151 I152 L157 T166F97-I136 HydrophobicContact CB-CD1 4.46Å; F97-I136 HydrophobicContact CD1-CD1 4.39Å; F97-I136 HydrophobicContact CD1-CG1 3.76Å; F97-I136 HydrophobicContact CD2-CD1 4.34Å; F97-I136 HydrophobicContact CD2-CG1 4.01Å; F97-I136 HydrophobicContact CD2-CG2 4.37Å; F97-I136 HydrophobicContact CE1-CB 4.46Å; F97-I136 HydrophobicContact CE1-CG1 3.67Å; F97-I136 HydrophobicContact CE2-CB 4.36Å; F97-I136 HydrophobicContact CE2-CG1 3.95Å; F97-I136 HydrophobicContact CE2-CG2 3.83Å; F97-I136 HydrophobicContact CG-CD1 4.15Å; F97-I136 HydrophobicContact CG-CG1 3.9Å; F97-I136 HydrophobicContact CZ-CB 4.13Å; F97-I136 HydrophobicContact CZ-CG1 3.74Å; F97-I136 HydrophobicContact CZ-CG2 4.02Å; F125-I136 HydrophobicContact CE1-CD1 4.04Å; F125-I136 HydrophobicContact CZ-CD1 4.33Å; S132-I136 VanDerWaalsContact O-CG1 3.32Å; S132-I136 WeakPolarHBondContact O-CG1 2.96Å; S132-I136 PolarHBondContact O-N 2.78Å; R133-I136 PolarHBondContact O-N 3.13Å; I136-Q138 PolarHBondContact O-N 2.7Å; I136-W139 PolarHBondContact O-N 2.74Å; I136-V140 HydrophobicContact CG2-CG2 4.43Å; I136-V140 WeakPolarHBondContact O-CG2 3.44Å; I136-V140 PolarHBondContact O-N 3.3Å; I136-L151 HydrophobicContact CG2-CD2 4.48Å; I136-I152 HydrophobicContact CB-CG1 4.06Å; I136-I152 HydrophobicContact CD1-CG1 4.33Å; I136-I152 HydrophobicContact CG2-CD1 4.18Å; I136-I152 HydrophobicContact CG2-CG1 3.55Å; I136-L157 HydrophobicContact CD1-CD1 4.24Å; I136-T166 HydrophobicContact CG2-CG2 4.09Å
137N96Very high94Very high10 Ų1052 Ų525%0.05327%0.267CS..Hα-helixtrans-62.5-41.7179.5-77.1-24.9000112.7R133 N134 V140 S141 L151 I152R133-N137 PolarHBondContact NH1-ND2 3.45Å; R133-N137 WeakPolarHBondContact O-CB 3.46Å; R133-N137 PolarHBondContact O-N 3.16Å; R133-N137 PolarHBondContact O-ND2 3.1Å; N134-N137 PolarHBondContact O-N 3.15Å; N137-V140 PolarHBondContact O-N 3Å; N137-S141 WeakPolarHBondContact O-CB 3.17Å; N137-S141 PolarHBondContact O-N 2.88Å; N137-L151 PolarHBondContact OD1-N 3.32Å; N137-I152 PolarHBondContact ND2-O 3.32Å; N137-I152 PolarHBondContact OD1-N 3.41Å
138Q96.8Very high93.7Very high102 Ų10247 Ų4748%0.47724%0.236SC..Hα-helixtrans-59.2-48.8174.6179.8-175.9-6.600110.6N134 I136 V140 S141 E142N134-Q138 VanDerWaalsContact O-CB 3.23Å; N134-Q138 WeakPolarHBondContact O-CB 3.34Å; N134-Q138 PolarHBondContact O-N 3.04Å; I136-Q138 PolarHBondContact O-N 2.7Å; Q138-V140 PolarHBondContact O-N 3.42Å; Q138-S141 WeakPolarHBondContact O-CB 3.49Å; Q138-S141 PolarHBondContact O-N 2.93Å; Q138-E142 HydrophobicContact CG-CG 4.48Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.37Å; Q138-E142 PolarHBondContact NE2-OE1 2.86Å; Q138-E142 WeakPolarHBondContact O-CG 3.38Å; Q138-E142 PolarHBondContact O-N 2.94Å
139W96.2Very high93.5Very high6 Ų649.8 Ų49.82%0.02325%0.247CC..Hα-helixtrans-60.4-45.9179.2173.269000111.9A93 R95 F97 R135 I136 S141 E142 Q143 T166A93-W139 HydrophobicContact CB-CH2 4.05Å; A93-W139 HydrophobicContact CB-CZ2 4.46Å; R95-W139 HydrophobicContact CB-CE3 4.18Å; R95-W139 HydrophobicContact CB-CH2 3.32Å; R95-W139 HydrophobicContact CB-CZ2 3.71Å; R95-W139 HydrophobicContact CB-CZ3 3.59Å; R95-W139 HydrophobicContact CG-CH2 4.4Å; R95-W139 HydrophobicContact CG-CZ2 4.45Å; F97-W139 HydrophobicContact CE2-CE3 4.01Å; F97-W139 HydrophobicContact CE2-CZ3 4.28Å; F97-W139 HydrophobicContact CZ-CD2 4.18Å; F97-W139 AromaticContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CE3 3.77Å; F97-W139 HydrophobicContact CZ-CG 4.5Å; F97-W139 HydrophobicContact CZ-CZ3 4.45Å; R135-W139 WeakPolarHBondContact O-CB 3.43Å; R135-W139 PolarHBondContact O-N 2.87Å; I136-W139 PolarHBondContact O-N 2.74Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 2.74Å; W139-E142 PolarHBondContact O-N 2.59Å; W139-Q143 HydrophobicContact CD2-CG 4.03Å; W139-Q143 HydrophobicContact CG-CG 4.46Å; W139-Q143 HydrophobicContact CH2-CG 4.18Å; W139-Q143 HydrophobicContact CZ2-CG 3.45Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.45Å; W139-Q143 VanDerWaalsContact NE1-CG 3.28Å; W139-Q143 WeakPolarHBondContact O-CG 3.3Å; W139-Q143 PolarHBondContact O-N 3.12Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.2Å
140V93.1Very high93.3Very high0 Ų051.9 Ų51.90%026%0.255CS..Hα-helixtrans-59.6-44176.91730000111I136 N137 Q138 Q143 T144 I148 L151 T168I136-V140 HydrophobicContact CG2-CG2 4.43Å; I136-V140 WeakPolarHBondContact O-CG2 3.44Å; I136-V140 PolarHBondContact O-N 3.3Å; N137-V140 PolarHBondContact O-N 3Å; Q138-V140 PolarHBondContact O-N 3.42Å; V140-Q143 PolarHBondContact O-N 3.34Å; V140-T144 HydrophobicContact CG1-CG2 4.32Å; V140-T144 WeakPolarHBondContact O-CB 3.22Å; V140-T144 VanDerWaalsContact O-CG2 3.3Å; V140-T144 WeakPolarHBondContact O-CG2 3.25Å; V140-T144 PolarHBondContact O-N 3.1Å; V140-T144 PolarHBondContact O-OG1 2.94Å; V140-I148 HydrophobicContact CG1-CB 3.76Å; V140-I148 HydrophobicContact CG1-CG2 3.52Å; V140-L151 HydrophobicContact CG1-CB 4.3Å; V140-L151 HydrophobicContact CG2-CB 4.08Å; V140-L151 HydrophobicContact CG2-CD2 3.66Å; V140-L151 HydrophobicContact CG2-CG 4.5Å; V140-T168 HydrophobicContact CG1-CG2 3.83Å; V140-T168 HydrophobicContact CG2-CG2 4.19Å
141S93.9Very high93.1Very high33 Ų3347.9 Ų47.923%0.23124%0.237CC..Hα-helixtrans-60.6-45.8177-173.50000111.4N137 Q138 W139 Q143 T144 K145 G146 I148N137-S141 WeakPolarHBondContact O-CB 3.17Å; N137-S141 PolarHBondContact O-N 2.88Å; Q138-S141 WeakPolarHBondContact O-CB 3.49Å; Q138-S141 PolarHBondContact O-N 2.93Å; W139-S141 VanDerWaalsContact C-N 3.31Å; W139-S141 PolarHBondContact O-N 2.74Å; S141-Q143 PolarHBondContact O-N 2.86Å; S141-T144 CarbonylContact O-C 3.57Å; S141-T144 PolarHBondContact O-N 3.36Å; S141-K145 PolarHBondContact O-N 3.08Å; S141-G146 PolarHBondContact O-N 3.33Å; S141-I148 WeakPolarHBondContact CA-O 3.47Å; S141-I148 PolarHBondContact N-O 3Å
142E95.1Very high93Very high99 Ų9946.7 Ų46.746%0.46323%0.225SC..Hα-helixtrans-59.8-47.4176-72.4167.1-176.400111.8Q138 W139 T144 K145Q138-E142 HydrophobicContact CG-CG 4.48Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.37Å; Q138-E142 PolarHBondContact NE2-OE1 2.86Å; Q138-E142 WeakPolarHBondContact O-CG 3.38Å; Q138-E142 PolarHBondContact O-N 2.94Å; W139-E142 PolarHBondContact O-N 2.59Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.05Å; E142-K145 PolarHBondContact O-N 3.19Å
143Q90.3Very high92.8Very high82 Ų8248.8 Ų48.838%0.38324%0.24SC..Hα-helixtrans-65.5-36.5179.8-63.7-44.6-70.900112.4I91 A93 W139 V140 S141 K145I91-Q143 WeakPolarHBondContact CD1-O 3.27Å; I91-Q143 WeakPolarHBondContact CG2-O 3.27Å; A93-Q143 HydrophobicContact CB-CB 3.68Å; A93-Q143 HydrophobicContact CB-CG 4.07Å; W139-Q143 HydrophobicContact CD2-CG 4.03Å; W139-Q143 HydrophobicContact CG-CG 4.46Å; W139-Q143 HydrophobicContact CH2-CG 4.18Å; W139-Q143 HydrophobicContact CZ2-CG 3.45Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.45Å; W139-Q143 VanDerWaalsContact NE1-CG 3.28Å; W139-Q143 WeakPolarHBondContact O-CG 3.3Å; W139-Q143 PolarHBondContact O-N 3.12Å; V140-Q143 PolarHBondContact O-N 3.34Å; S141-Q143 PolarHBondContact O-N 2.86Å; Q143-K145 VanDerWaalsContact C-N 3.32Å
144T88.8Confident92.5Very high0 Ų051.5 Ų51.50%026%0.261CS..THydrogen-bonded Turntrans-93.914.3-176.864.20000112.9V140 S141 E142 G146 Q147 I148V140-T144 HydrophobicContact CG1-CG2 4.32Å; V140-T144 WeakPolarHBondContact O-CB 3.22Å; V140-T144 VanDerWaalsContact O-CG2 3.3Å; V140-T144 WeakPolarHBondContact O-CG2 3.25Å; V140-T144 PolarHBondContact O-N 3.1Å; V140-T144 PolarHBondContact O-OG1 2.94Å; S141-T144 CarbonylContact O-C 3.57Å; S141-T144 PolarHBondContact O-N 3.36Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.05Å; T144-G146 PolarHBondContact O-N 2.87Å; T144-Q147 VanDerWaalsContact O-CB 3.23Å; T144-Q147 WeakPolarHBondContact O-CB 3.44Å; T144-Q147 WeakPolarHBondContact O-CG 3.28Å; T144-Q147 PolarHBondContact O-N 3.31Å; T144-I148 HydrophobicContact CG2-CB 4.12Å; T144-I148 HydrophobicContact CG2-CD1 3.99Å; T144-I148 HydrophobicContact CG2-CG1 4.1Å; T144-I148 PolarHBondContact OG1-N 2.92Å; T144-I148 PolarHBondContact OG1-O 3.41Å
145K89.3Confident92.2Very high137 Ų13750.8 Ų50.860%0.59627%0.273SS*.THydrogen-bonded Turntrans53.640.8179.3-55.7-179176.1-1770113E89 I91 S141 E142 Q143 Q147E89-K145 WeakPolarHBondContact OE1-CE 3.48Å; E89-K145 IonicContact OE1-NZ 2.71Å; E89-K145 PolarHBondContact OE1-NZ 2.97Å; I91-K145 HydrophobicContact CD1-CD 4.38Å; I91-K145 HydrophobicContact CD1-CG 4.31Å; S141-K145 PolarHBondContact O-N 3.08Å; E142-K145 PolarHBondContact O-N 3.19Å; Q143-K145 VanDerWaalsContact C-N 3.32Å; K145-Q147 VanDerWaalsContact C-N 3.26Å; K145-Q147 PolarHBondContact O-N 2.73Å
146G89.7Confident91.8Very high25 Ų2548 Ų4826%0.25827%0.266SS..THydrogen-bonded Turntrans76.45.618000000115S141 T144 Q149S141-G146 PolarHBondContact O-N 3.33Å; T144-G146 PolarHBondContact O-N 2.87Å; G146-Q149 WeakPolarHBondContact O-CG 3.45Å; G146-Q149 PolarHBondContact O-NE2 3.4Å
147Q86.6Confident91.7Very high57 Ų5748.7 Ų48.727%0.26627%0.269SS..SBendtrans-74.4-41.3-178.7-61-59.4-45.200111.6T144 K145 Y170 I325T144-Q147 VanDerWaalsContact O-CB 3.23Å; T144-Q147 WeakPolarHBondContact O-CB 3.44Å; T144-Q147 WeakPolarHBondContact O-CG 3.28Å; T144-Q147 PolarHBondContact O-N 3.31Å; K145-Q147 VanDerWaalsContact C-N 3.26Å; K145-Q147 PolarHBondContact O-N 2.73Å; Q147-Y170 HydrophobicContact CB-CD2 3.99Å; Q147-Y170 HydrophobicContact CB-CE2 4.12Å; Q147-Y170 HydrophobicContact CG-CD2 3.92Å; Q147-Y170 HydrophobicContact CG-CE1 4.48Å; Q147-Y170 HydrophobicContact CG-CE2 3.59Å; Q147-Y170 HydrophobicContact CG-CG 4.48Å; Q147-I325 VanDerWaalsContact C-CD1 3.42Å; Q147-I325 HydrophobicContact CB-CD1 3.93Å; Q147-I325 WeakPolarHBondContact O-CD1 3.08Å
148I87.2Confident91.5Very high1 Ų151.7 Ų51.71%0.00529%0.288CS..  trans-108.2100174.3-55.7-179.6000108.7V140 S141 T144 K323 I325V140-I148 HydrophobicContact CG1-CB 3.76Å; V140-I148 HydrophobicContact CG1-CG2 3.52Å; S141-I148 WeakPolarHBondContact CA-O 3.47Å; S141-I148 PolarHBondContact N-O 3Å; T144-I148 HydrophobicContact CG2-CB 4.12Å; T144-I148 HydrophobicContact CG2-CD1 3.99Å; T144-I148 HydrophobicContact CG2-CG1 4.1Å; T144-I148 PolarHBondContact OG1-N 2.92Å; T144-I148 PolarHBondContact OG1-O 3.41Å; I148-K323 HydrophobicContact CD1-CB 4.24Å; I148-K323 HydrophobicContact CD1-CG 4.13Å; I148-K323 WeakPolarHBondContact CD1-O 3.45Å; I148-K323 HydrophobicContact CG2-CB 4.37Å; I148-K323 HydrophobicContact CG2-CD 3.81Å; I148-K323 HydrophobicContact CG2-CG 4.06Å; I148-I325 HydrophobicContact CB-CD1 4.5Å; I148-I325 HydrophobicContact CD1-CD1 4.46Å; I148-I325 HydrophobicContact CD1-CG1 4.4Å; I148-I325 HydrophobicContact CG1-CD1 3.49Å; I148-I325 VanDerWaalsContact CG1-CD1 3.49Å; I148-I325 HydrophobicContact CG1-CG1 3.92Å
149Q90.3Very high91.1Very high142 Ų14251.1 Ų51.166%0.66429%0.288SS*.  trans-91.3-30.2-177.5-61.5179.817.700113.2G146G146-Q149 WeakPolarHBondContact O-CG 3.45Å; G146-Q149 PolarHBondContact O-NE2 3.4Å
150E91.2Very high90.6Very high89 Ų8957.8 Ų57.842%0.41633%0.325SS..  trans-130.8108.6178.6-170.4177.880.800109.9K323E150-K323 PolarHBondContact O-NZ 3.39Å
151L92.5Very high90.4Very high2 Ų258.1 Ų58.11%0.0133%0.327CS..SBendtrans-96.2-44.7168.5179.569.1000110.4I136 N137 V140 T166 T168 A283 M321 K323I136-L151 HydrophobicContact CG2-CD2 4.48Å; N137-L151 PolarHBondContact OD1-N 3.32Å; V140-L151 HydrophobicContact CG1-CB 4.3Å; V140-L151 HydrophobicContact CG2-CB 4.08Å; V140-L151 HydrophobicContact CG2-CD2 3.66Å; V140-L151 HydrophobicContact CG2-CG 4.5Å; L151-T166 HydrophobicContact CD2-CG2 3.47Å; L151-T166 VanDerWaalsContact CD2-CG2 3.47Å; L151-T168 HydrophobicContact CD1-CG2 3.71Å; L151-T168 HydrophobicContact CD2-CG2 3.7Å; L151-T168 HydrophobicContact CG-CG2 4.26Å; L151-A283 HydrophobicContact CD1-CB 3.8Å; L151-A283 WeakPolarHBondContact O-CB 3.43Å; L151-M321 HydrophobicContact CD1-CB 4.12Å; L151-M321 HydrophobicContact CD2-CB 3.96Å; L151-M321 HydrophobicContact CG-CB 4.01Å; L151-K323 HydrophobicContact CD1-CB 3.52Å
152I93.2Very high90.3Very high0 Ų057.2 Ų57.20%032%0.321CS..SBendtrans-102.1106.2-179.3-47.7-59.9000108.5R133 I136 N137 L157 V164 M321R133-I152 HydrophobicContact CG-CB 3.95Å; R133-I152 HydrophobicContact CG-CG2 3.75Å; R133-I152 WeakPolarHBondContact CG-O 3.37Å; I136-I152 HydrophobicContact CB-CG1 4.06Å; I136-I152 HydrophobicContact CD1-CG1 4.33Å; I136-I152 HydrophobicContact CG2-CD1 4.18Å; I136-I152 HydrophobicContact CG2-CG1 3.55Å; N137-I152 PolarHBondContact ND2-O 3.32Å; N137-I152 PolarHBondContact OD1-N 3.41Å; I152-L157 HydrophobicContact CG2-CD1 3.94Å; I152-L157 HydrophobicContact CG2-CD2 4.03Å; I152-L157 HydrophobicContact CG2-CG 3.63Å; I152-V164 HydrophobicContact CD1-CG1 4.38Å; I152-M321 HydrophobicContact CD1-CB 4.14Å; I152-M321 HydrophobicContact CD1-CE 4.06Å; I152-M321 HydrophobicContact CD1-CG 3.54Å; I152-M321 HydrophobicContact CD1-SD 4.28Å
153S92.2Very high90.3Very high48 Ų4852.5 Ų52.534%0.33630%0.299SS..  trans-72.3158.4175.859.30000111.8G155 S156S153-G155 PolarHBondContact O-N 2.97Å; S153-S156 VanDerWaalsContact O-CB 3.23Å; S153-S156 WeakPolarHBondContact O-CB 3.35Å; S153-S156 PolarHBondContact O-N 3.32Å; S153-S156 VanDerWaalsContact O-N 3.1Å; S153-S156 PolarHBondContact O-OG 3.32Å; S153-S156 PolarHBondContact OG-OG 2.95Å
154P91.3Very high90.6Very high85 Ų8548.7 Ų48.755%0.55228%0.281SS*.THydrogen-bonded Turntrans-51.2137.4172-27.235.7000112.2S156P154-S156 PolarHBondContact O-N 2.77Å
155G89.9Confident91Very high67 Ų6748.7 Ų48.769%0.69128%0.281SS*.THydrogen-bonded Turntrans73.74.3-178.100000115.5S153S153-G155 PolarHBondContact O-N 2.97Å
156S88.9Confident91.2Very high24 Ų2442.2 Ų42.217%0.16825%0.253CS..SBendtrans-79.2-19.5176.1-76.50000114.8S153 P154 K285S153-S156 VanDerWaalsContact O-CB 3.23Å; S153-S156 WeakPolarHBondContact O-CB 3.35Å; S153-S156 PolarHBondContact O-N 3.32Å; S153-S156 VanDerWaalsContact O-N 3.1Å; S153-S156 PolarHBondContact O-OG 3.32Å; S153-S156 PolarHBondContact OG-OG 2.95Å; P154-S156 PolarHBondContact O-N 2.77Å; S156-K285 WeakPolarHBondContact OG-CE 3.29Å; S156-K285 PolarHBondContact OG-NZ 2.74Å
157L92.7Very high91.3Very high13 Ų1341 Ų417%0.06824%0.24CC..  trans-107.4152.8175.1-58.1176.6000109.6F125 I129 R133 I136 I152 T161 V164F125-L157 HydrophobicContact CD1-CD1 4.12Å; F125-L157 HydrophobicContact CE1-CD1 3.87Å; F125-L157 HydrophobicContact CE1-CD2 4.08Å; I129-L157 HydrophobicContact CG2-CB 3.76Å; R133-L157 HydrophobicContact CB-CD1 3.98Å; I136-L157 HydrophobicContact CD1-CD1 4.24Å; I152-L157 HydrophobicContact CG2-CD1 3.94Å; I152-L157 HydrophobicContact CG2-CD2 4.03Å; I152-L157 HydrophobicContact CG2-CG 3.63Å; L157-T161 HydrophobicContact CD2-CG2 4.22Å; L157-V164 HydrophobicContact CD2-CG2 3.84Å
158T91.4Very high91.5Very high73 Ų7338.3 Ų38.345%0.44823%0.228SC..  trans-134.7164.5179.659.40000110.1D160 T161T158-D160 PolarHBondContact O-N 2.83Å; T158-D160 VanDerWaalsContact O-N 3.16Å; T158-T161 PolarHBondContact N-OG1 2.72Å; T158-T161 WeakPolarHBondContact O-CB 3.42Å; T158-T161 PolarHBondContact O-N 2.98Å; T158-T161 PolarHBondContact O-OG1 2.94Å; T158-T161 PolarHBondContact OG1-OG1 3.38Å
159N88.5Confident91.6Very high90 Ų9038.2 Ų38.248%0.48123%0.227SC..THydrogen-bonded Turntrans-60.2-25.5173.5-70.9-3.5000112.7E126 I129 T161E126-N159 WeakPolarHBondContact CG-O 3.4Å; I129-N159 WeakPolarHBondContact CD1-OD1 3.37Å; I129-N159 VanDerWaalsContact CG1-OD1 3.32Å; I129-N159 WeakPolarHBondContact CG1-OD1 3.12Å; N159-T161 PolarHBondContact O-N 3.09Å
160D87.4Confident91.5Very high146 Ų14632 Ų3278%0.78120%0.198SC*.THydrogen-bonded Turntrans-81.92.7176.2-58.5-35.5000113.3T158 S162T158-D160 PolarHBondContact O-N 2.83Å; T158-D160 VanDerWaalsContact O-N 3.16Å; D160-S162 PolarHBondContact O-N 3.05Å
161T88.6Confident91.4Very high7 Ų727.9 Ų27.94%0.04318%0.178CC..  trans-69.8115.6178.7-63.40000110F125 L157 T158 N159 V164 S318F125-T161 WeakPolarHBondContact CB-O 3.34Å; F125-T161 HydrophobicContact CD1-CG2 3.97Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 WeakPolarHBondContact CD2-O 3.44Å; F125-T161 HydrophobicContact CE1-CG2 3.95Å; F125-T161 HydrophobicContact CE2-CG2 3.75Å; F125-T161 HydrophobicContact CG-CG2 3.88Å; F125-T161 HydrophobicContact CZ-CG2 3.82Å; L157-T161 HydrophobicContact CD2-CG2 4.22Å; T158-T161 PolarHBondContact N-OG1 2.72Å; T158-T161 WeakPolarHBondContact O-CB 3.42Å; T158-T161 PolarHBondContact O-N 2.98Å; T158-T161 PolarHBondContact O-OG1 2.94Å; T158-T161 PolarHBondContact OG1-OG1 3.38Å; N159-T161 PolarHBondContact O-N 3.09Å; T161-V164 HydrophobicContact CG2-CG2 3.61Å; T161-S318 WeakPolarHBondContact CA-OG 3.42Å
162S90.4Very high91.1Very high15 Ų1531.2 Ų31.211%0.10519%0.193CC..  trans-95-41.3179.549.70000112.8V98 A99 D160 C316 S318V98-S162 WeakPolarHBondContact CA-O 3.47Å; V98-S162 WeakPolarHBondContact CG2-O 3.31Å; A99-S162 PolarHBondContact N-O 3.45Å; D160-S162 PolarHBondContact O-N 3.05Å; S162-C316 PolarHBondContact OG-N 3.1Å; S162-C316 PolarHBondContact OG-O 2.95Å; S162-C316 PolarHBondContact OG-SG 3.1Å; S162-S318 PolarHBondContact N-OG 3.22Å
163A95.6Very high90.9Very high0 Ų031.4 Ų31.40%020%0.195CC..EExtended strand (participates in β ladder)trans-154.7142.6178.400000112.5F96 F97 V98 M315 I317 S318F96-A163 HydrophobicContact CE1-CB 3.81Å; F96-A163 HydrophobicContact CZ-CB 3.83Å; F97-A163 CarbonylContact O-C 3.58Å; F97-A163 WeakPolarHBondContact O-CA 3.38Å; V98-A163 HydrophobicContact CG2-CB 4.41Å; A163-M315 HydrophobicContact CB-CE 3.9Å; A163-I317 HydrophobicContact CB-CD1 4.12Å; A163-S318 VanDerWaalsContact O-CB 3.31Å; A163-S318 WeakPolarHBondContact O-CB 3.33Å; A163-S318 PolarHBondContact O-N 2.72Å; A163-S318 PolarHBondContact O-OG 2.75Å
164V96.5Very high90.8Very high2 Ų230.5 Ų30.51%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-127.4126.2175.8178.30000108.6F97 F125 I152 L157 T161 T166 M321F97-V164 HydrophobicContact CB-CB 4.42Å; F97-V164 PolarHBondContact N-O 3.4Å; F97-V164 PolarHBondContact O-N 2.94Å; F125-V164 HydrophobicContact CE1-CG2 4.42Å; F125-V164 HydrophobicContact CZ-CB 4.38Å; F125-V164 HydrophobicContact CZ-CG2 3.9Å; I152-V164 HydrophobicContact CD1-CG1 4.38Å; L157-V164 HydrophobicContact CD2-CG2 3.84Å; T161-V164 HydrophobicContact CG2-CG2 3.61Å; V164-T166 HydrophobicContact CG1-CG2 4.38Å; V164-M321 HydrophobicContact CG1-CG 3.75Å
165V97Very high90.8Very high0 Ų026.7 Ų26.70%016%0.161CC..EExtended strand (participates in β ladder)trans-100.6125.3174.7-172.70000108.3A39 M42 V43 F96 I317 D319 V320 M321A39-V165 HydrophobicContact CB-CG1 3.86Å; M42-V165 HydrophobicContact CE-CG1 3.33Å; V43-V165 HydrophobicContact CG2-CG2 3.9Å; F96-V165 HydrophobicContact CD2-CG2 3.72Å; F96-V165 HydrophobicContact CE2-CG2 3.73Å; V165-I317 HydrophobicContact CG2-CD1 4.05Å; V165-I317 HydrophobicContact CG2-CG2 4.25Å; V165-D319 PolarHBondContact N-O 3.18Å; V165-D319 VanDerWaalsContact N-O 3.14Å; V165-V320 HydrophobicContact CB-CG1 4.27Å; V165-V320 HydrophobicContact CB-CG2 4.17Å; V165-V320 HydrophobicContact CG1-CG1 4.46Å; V165-V320 CarbonylContact O-C 3.59Å; V165-V320 WeakPolarHBondContact O-CA 3.43Å; V165-M321 PolarHBondContact O-N 3.24Å
166T95Very high90.8Very high0 Ų028.1 Ų28.10%015%0.152CC..EExtended strand (participates in β ladder)trans-104131.9177.6620000110.2N94 R95 F97 I136 W139 L151 V164N94-T166 WeakPolarHBondContact CA-O 3.45Å; R95-T166 PolarHBondContact N-O 2.88Å; R95-T166 PolarHBondContact N-OG1 3.23Å; R95-T166 PolarHBondContact O-N 3.46Å; R95-T166 PolarHBondContact O-OG1 3.3Å; F97-T166 HydrophobicContact CD2-CG2 3.81Å; F97-T166 HydrophobicContact CE2-CG2 3.6Å; I136-T166 HydrophobicContact CG2-CG2 4.09Å; W139-T166 WeakPolarHBondContact CZ3-OG1 3.2Å; L151-T166 HydrophobicContact CD2-CG2 3.47Å; L151-T166 VanDerWaalsContact CD2-CG2 3.47Å; V164-T166 HydrophobicContact CG1-CG2 4.38Å
167A91.3Very high90.9Very high0 Ų029.3 Ų29.30%016%0.156CC..EExtended strand (participates in β ladder)trans-124.783.4175.800000108.8N35 A39 M321 H322N35-A167 WeakPolarHBondContact ND2-CA 3.42Å; A39-A167 HydrophobicContact CB-CB 3.73Å; A167-M321 PolarHBondContact N-O 2.72Å; A167-H322 WeakPolarHBondContact O-CA 3.37Å; A167-H322 PolarHBondContact O-ND1 2.87Å
168T90.3Very high90.7Very high0 Ų030.6 Ų30.60%017%0.166CC..EExtended strand (participates in β ladder)trans-106.7134-176.453.50000111.7N35 A93 V140 L151 K323N35-T168 PolarHBondContact ND2-N 3.01Å; A93-T168 VanDerWaalsContact CB-OG1 3.29Å; A93-T168 WeakPolarHBondContact CB-OG1 3.17Å; A93-T168 PolarHBondContact N-O 3.12Å; A93-T168 PolarHBondContact O-N 3.34Å; A93-T168 PolarHBondContact O-OG1 2.82Å; V140-T168 HydrophobicContact CG1-CG2 3.83Å; V140-T168 HydrophobicContact CG2-CG2 4.19Å; L151-T168 HydrophobicContact CD1-CG2 3.71Å; L151-T168 HydrophobicContact CD2-CG2 3.7Å; L151-T168 HydrophobicContact CG-CG2 4.26Å; T168-K323 WeakPolarHBondContact CA-O 3.5Å
169T89.2Confident90.7Very high0 Ų027.4 Ų27.40%015%0.147CC..EExtended strand (participates in β ladder)trans-131.7142.8179.8630000112.6N35 I91 L92 K323 T324 I325 F377N35-T169 HydrophobicContact CB-CG2 3.23Å; N35-T169 VanDerWaalsContact ND2-CG2 3.27Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.26Å; I91-T169 VanDerWaalsContact O-CA 3.24Å; I91-T169 WeakPolarHBondContact O-CA 3.08Å; L92-T169 HydrophobicContact CD2-CG2 3.36Å; T169-K323 PolarHBondContact N-O 3.08Å; T169-K323 VanDerWaalsContact N-O 3.09Å; T169-T324 WeakPolarHBondContact O-CA 3.49Å; T169-T324 WeakPolarHBondContact OG1-CG2 3.45Å; T169-I325 PolarHBondContact O-N 2.91Å; T169-F377 WeakPolarHBondContact OG1-CE1 3.3Å
170Y88.5Confident90.7Very high12 Ų1230.6 Ų30.65%0.04715%0.152CC..EExtended strand (participates in β ladder)trans-132.3130.1173.6166.7-106.6000108.6E89 I90 I91 Q147 K172 I325E89-Y170 HydrophobicContact CG-CE1 4.32Å; I90-Y170 WeakPolarHBondContact CA-O 3.27Å; I91-Y170 HydrophobicContact CD1-CD1 3.78Å; I91-Y170 HydrophobicContact CD1-CE1 4.48Å; I91-Y170 HydrophobicContact CG1-CD1 4.1Å; I91-Y170 PolarHBondContact N-O 3.18Å; I91-Y170 PolarHBondContact O-N 3.24Å; Q147-Y170 HydrophobicContact CB-CD2 3.99Å; Q147-Y170 HydrophobicContact CB-CE2 4.12Å; Q147-Y170 HydrophobicContact CG-CD2 3.92Å; Q147-Y170 HydrophobicContact CG-CE1 4.48Å; Q147-Y170 HydrophobicContact CG-CE2 3.59Å; Q147-Y170 HydrophobicContact CG-CG 4.48Å; Y170-K172 HydrophobicContact CE1-CB 4.05Å; Y170-K172 HydrophobicContact CE2-CB 4.42Å; Y170-K172 WeakPolarHBondContact OH-CB 3.44Å; Y170-K172 WeakPolarHBondContact OH-CD 3.33Å; Y170-I325 HydrophobicContact CD2-CB 4.2Å; Y170-I325 HydrophobicContact CD2-CG2 4.23Å; Y170-I325 HydrophobicContact CE2-CG2 4.43Å
171F88.9Confident90.8Very high1 Ų128.4 Ų28.40%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-125130.9175.5-178.4-82.5000110.3V88 I90 F225 F230 I325 F326 I368 F377V88-F171 HydrophobicContact CG1-CD2 4.33Å; V88-F171 HydrophobicContact CG1-CE2 3.5Å; V88-F171 HydrophobicContact CG1-CZ 3.79Å; I90-F171 HydrophobicContact CB-CD2 4.27Å; I90-F171 HydrophobicContact CD1-CD2 4.39Å; I90-F171 HydrophobicContact CG1-CD2 4.32Å; F171-F225 HydrophobicContact CE1-CD1 4.39Å; F171-F225 HydrophobicContact CE1-CD2 4.49Å; F171-F225 AromaticContact CE1-CE1 3.83Å; F171-F225 HydrophobicContact CE1-CE1 3.83Å; F171-F225 AromaticContact CE1-CE2 3.95Å; F171-F225 HydrophobicContact CE1-CE2 3.95Å; F171-F225 AromaticContact CE1-CZ 3.59Å; F171-F225 HydrophobicContact CE1-CZ 3.59Å; F171-F225 HydrophobicContact CZ-CD1 4.46Å; F171-F225 HydrophobicContact CZ-CD2 4.06Å; F171-F225 HydrophobicContact CZ-CE1 4.28Å; F171-F225 AromaticContact CZ-CE2 3.86Å; F171-F225 HydrophobicContact CZ-CE2 3.86Å; F171-F225 HydrophobicContact CZ-CG 4.35Å; F171-F225 AromaticContact CZ-CZ 3.98Å; F171-F225 HydrophobicContact CZ-CZ 3.98Å; F171-F230 AromaticContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CE1 4.23Å; F171-F230 HydrophobicContact CE2-CG 4.2Å; F171-F230 HydrophobicContact CZ-CB 4.4Å; F171-F230 HydrophobicContact CZ-CD1 4.48Å; F171-I325 PolarHBondContact N-O 3.19Å; F171-F326 AromaticContact CD1-CD2 3.81Å; F171-F326 HydrophobicContact CD1-CD2 3.81Å; F171-F326 AromaticContact CD1-CE2 3.87Å; F171-F326 HydrophobicContact CD1-CE2 3.87Å; F171-F326 HydrophobicContact CE1-CE2 4.11Å; F171-I368 HydrophobicContact CB-CD1 4.19Å; F171-I368 HydrophobicContact CD1-CD1 3.46Å; F171-I368 VanDerWaalsContact CD1-CD1 3.46Å; F171-I368 HydrophobicContact CD2-CD1 4.12Å; F171-I368 HydrophobicContact CD2-CG2 4.32Å; F171-I368 HydrophobicContact CE1-CD1 3.76Å; F171-I368 HydrophobicContact CE1-CG2 4.5Å; F171-I368 HydrophobicContact CE2-CD1 4.38Å; F171-I368 HydrophobicContact CE2-CG2 3.84Å; F171-I368 HydrophobicContact CG-CD1 3.65Å; F171-I368 HydrophobicContact CZ-CD1 4.2Å; F171-I368 HydrophobicContact CZ-CG2 3.94Å; F171-F377 HydrophobicContact CB-CD2 4.46Å; F171-F377 HydrophobicContact CB-CE1 4.31Å; F171-F377 HydrophobicContact CB-CE2 3.71Å; F171-F377 HydrophobicContact CB-CZ 3.63Å; F171-F377 HydrophobicContact CD2-CE2 4.01Å; F171-F377 HydrophobicContact CG-CE2 4.17Å
172K86.9Confident91Very high72 Ų7233.2 Ų33.231%0.31316%0.162SC..EExtended strand (participates in β ladder)trans-137.3119.6169.5-179.2167.7-179171.10109.8E89 Y170E89-K172 PolarHBondContact N-O 3.23Å; E89-K172 PolarHBondContact O-N 3Å; Y170-K172 HydrophobicContact CE1-CB 4.05Å; Y170-K172 HydrophobicContact CE2-CB 4.42Å; Y170-K172 WeakPolarHBondContact OH-CB 3.44Å; Y170-K172 WeakPolarHBondContact OH-CD 3.33Å
173G87.9Confident91.1Very high5 Ų535.1 Ų35.15%0.05217%0.171CC..EExtended strand (participates in β ladder)trans-126.7135.6-179.100000112.2G87 G332G87-G173 CarbonylContact O-C 3.46Å; G87-G173 WeakPolarHBondContact O-CA 3.44Å; G173-G332 WeakPolarHBondContact O-CA 3.48Å
174M89.6Confident91Very high28 Ų2836.1 Ų36.114%0.13818%0.177CC..  trans-76.4133.2163.3-62.8-177.375.900109.1G87 F225 K226 G332 A333G87-M174 WeakPolarHBondContact O-CB 3.36Å; G87-M174 PolarHBondContact O-N 3.13Å; M174-F225 CarbonylContact O-C 3.58Å; M174-F225 VanDerWaalsContact O-CA 3.28Å; M174-F225 WeakPolarHBondContact O-CA 3.45Å; M174-F225 WeakPolarHBondContact O-CB 3.48Å; M174-F225 WeakPolarHBondContact O-CD1 3.14Å; M174-K226 HydrophobicContact CB-CB 4.06Å; M174-K226 HydrophobicContact CB-CD 4.21Å; M174-K226 HydrophobicContact CE-CD 4.5Å; M174-K226 WeakPolarHBondContact O-CB 3.28Å; M174-K226 PolarHBondContact O-N 3.46Å; M174-K226 HydrophobicContact SD-CD 4.02Å; M174-G332 WeakPolarHBondContact CG-O 3.47Å; M174-A333 WeakPolarHBondContact CE-O 3.34Å
175W91.9Very high91Very high6 Ų639.4 Ų39.42%0.02319%0.193CC..BIsolated β-bridgetrans-59.4145.5168.3-54.1116.5000110.6L177 F179 I223 F225 L232 V328 D329W175-L177 VanDerWaalsContact C-N 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.29Å; W175-F179 AromaticContact CD1-CD2 3.72Å; W175-F179 AromaticContact CD1-CE2 3.87Å; W175-F179 HydrophobicContact CD2-CE2 4.2Å; W175-F179 AromaticContact CE2-CE2 4Å; W175-F179 HydrophobicContact CG-CD2 4.35Å; W175-F179 HydrophobicContact CG-CE2 4.16Å; W175-F179 AromaticContact NE1-CD2 3.79Å; W175-F179 AromaticContact NE1-CE2 3.74Å; W175-I223 HydrophobicContact CD2-CG2 4.47Å; W175-I223 HydrophobicContact CE3-CG2 3.64Å; W175-I223 HydrophobicContact CZ3-CB 4.34Å; W175-I223 HydrophobicContact CZ3-CG2 3.79Å; W175-F225 HydrophobicContact CD2-CE1 4.38Å; W175-F225 AromaticContact CE3-CD1 3.82Å; W175-F225 HydrophobicContact CE3-CD1 3.82Å; W175-F225 AromaticContact CE3-CE1 3.7Å; W175-F225 HydrophobicContact CE3-CE1 3.7Å; W175-F225 HydrophobicContact CE3-CZ 4.29Å; W175-F225 HydrophobicContact CH2-CD1 4.48Å; W175-F225 AromaticContact CH2-CE1 3.55Å; W175-F225 HydrophobicContact CH2-CE1 3.55Å; W175-F225 AromaticContact CH2-CZ 3.68Å; W175-F225 HydrophobicContact CH2-CZ 3.68Å; 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 3.26Å; W175-F225 HydrophobicContact CZ3-CE1 3.26Å; W175-F225 HydrophobicContact CZ3-CE2 4.13Å; W175-F225 HydrophobicContact CZ3-CG 4.46Å; 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 4.24Å; W175-L232 HydrophobicContact CH2-CD2 3.64Å; W175-L232 HydrophobicContact CZ3-CB 3.96Å; W175-L232 HydrophobicContact CZ3-CD2 4.13Å; W175-V328 HydrophobicContact CH2-CG2 4.35Å; W175-V328 HydrophobicContact CZ2-CB 4.45Å; W175-V328 HydrophobicContact CZ2-CG1 3.96Å; W175-V328 HydrophobicContact CZ2-CG2 4.16Å; W175-D329 PolarHBondContact NE1-O 3.15Å
176D91.1Very high91Very high96 Ų9643.3 Ų43.351%0.51322%0.217SC..SBendtrans-62.2-43.1167.2-17653.2000110P224D176-P224 HydrophobicContact CB-CB 4.02Å; D176-P224 PolarHBondContact N-O 3.39Å
177L90.4Very high91.1Very high49 Ų4944.3 Ų44.326%0.25722%0.223SC..SBendtrans-11698.7171-62.2-179.9000110.3W175 N204 S206 A340W175-L177 VanDerWaalsContact C-N 3.27Å; W175-L177 WeakPolarHBondContact CB-O 3.29Å; L177-N204 PolarHBondContact O-ND2 2.97Å; L177-S206 WeakPolarHBondContact CD1-OG 3.35Å; L177-A340 HydrophobicContact CD2-CB 3.83Å
178S89.1Confident91.3Very high40 Ų4048.5 Ų48.528%0.2824%0.243SC..PPolyproline II helixtrans-58.6150.3177-55.20000112.5N204 E330S178-N204 PolarHBondContact O-ND2 2.68Å; S178-N204 VanDerWaalsContact O-ND2 3.12Å; S178-E330 WeakPolarHBondContact CB-O 3.44Å
179F90.1Very high91.7Very high7 Ų748.5 Ų48.53%0.03124%0.243CC..PPolyproline II helixtrans-77.9138.4167.3-59.4-94000108W175 M202 N204 L271 L273 E330W175-F179 AromaticContact CD1-CD2 3.72Å; W175-F179 AromaticContact CD1-CE2 3.87Å; W175-F179 HydrophobicContact CD2-CE2 4.2Å; W175-F179 AromaticContact CE2-CE2 4Å; W175-F179 HydrophobicContact CG-CD2 4.35Å; W175-F179 HydrophobicContact CG-CE2 4.16Å; W175-F179 AromaticContact NE1-CD2 3.79Å; W175-F179 AromaticContact NE1-CE2 3.74Å; F179-M202 HydrophobicContact CB-CB 3.96Å; F179-M202 HydrophobicContact CB-SD 4.36Å; F179-M202 HydrophobicContact CD1-CB 3.65Å; F179-M202 HydrophobicContact CD2-CB 4.44Å; F179-M202 HydrophobicContact CD2-CE 4.09Å; F179-M202 HydrophobicContact CD2-SD 4.15Å; F179-M202 HydrophobicContact CE1-CB 4.27Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.76Å; F179-M202 HydrophobicContact CG-SD 4.24Å; F179-N204 HydrophobicContact CD1-CB 3.68Å; F179-N204 HydrophobicContact CE1-CB 3.8Å; F179-L271 HydrophobicContact CE1-CD2 4.1Å; F179-L271 HydrophobicContact CE1-CG 4.35Å; F179-L271 HydrophobicContact CZ-CD2 3.89Å; F179-L273 HydrophobicContact CE1-CB 4.48Å; F179-L273 HydrophobicContact CE2-CD2 4.47Å; F179-L273 HydrophobicContact CZ-CB 4.25Å; F179-L273 HydrophobicContact CZ-CD2 4.22Å; F179-E330 HydrophobicContact CB-CB 4.18Å; F179-E330 HydrophobicContact CB-CG 4.05Å; F179-E330 PolarHBondContact N-O 3.37Å; F179-E330 WeakPolarHBondContact O-CB 3.41Å
180R89.1Confident92.1Very high157 Ų15751.2 Ų51.259%0.59225%0.254SS*.PPolyproline II helixtrans-81.5132.1174-52.5171.349.6124.3-7.2108.8D182 N183R180-D182 WeakPolarHBondContact CB-OD1 3.35Å; R180-D182 IonicContact CZ-OD1 3.71Å; R180-D182 IonicContact CZ-OD2 3.49Å; R180-D182 IonicContact NE-OD1 2.95Å; R180-D182 PolarHBondContact NE-OD1 2.78Å; R180-D182 IonicContact NE-OD2 3.37Å; R180-D182 PolarHBondContact NE-OD2 3.4Å; R180-D182 IonicContact NH2-OD1 3.59Å; R180-D182 IonicContact NH2-OD2 2.76Å; R180-D182 PolarHBondContact NH2-OD2 2.69Å; R180-D182 PolarHBondContact O-N 2.98Å; R180-N183 WeakPolarHBondContact O-CB 3.05Å; R180-N183 PolarHBondContact O-N 3.05Å
181E89.6Confident92.4Very high100 Ų10053 Ų5347%0.46726%0.262SS..G310 helixtrans-61-30.4-177.9-66.7-178.7158.800112.4N183 T184 E330 K331E181-N183 PolarHBondContact O-N 3.22Å; E181-T184 WeakPolarHBondContact O-CB 3.09Å; E181-T184 PolarHBondContact O-N 3.39Å; E181-E330 HydrophobicContact CG-CB 3.98Å; E181-E330 HydrophobicContact CG-CG 3.9Å; E181-K331 WeakPolarHBondContact OE1-CD 3.35Å; E181-K331 WeakPolarHBondContact OE1-CE 3.49Å; E181-K331 IonicContact OE1-NZ 3.04Å; E181-K331 PolarHBondContact OE1-NZ 3.25Å; E181-K331 IonicContact OE2-NZ 2.64Å; E181-K331 PolarHBondContact OE2-NZ 3.07Å
182D91.6Very high92.5Very high107 Ų10755 Ų5557%0.57227%0.273SS*.G310 helixtrans-68.9-16.3175.461.1-36.1000113.8R180R180-D182 WeakPolarHBondContact CB-OD1 3.35Å; R180-D182 IonicContact CZ-OD1 3.71Å; R180-D182 IonicContact CZ-OD2 3.49Å; R180-D182 IonicContact NE-OD1 2.95Å; R180-D182 PolarHBondContact NE-OD1 2.78Å; R180-D182 IonicContact NE-OD2 3.37Å; R180-D182 PolarHBondContact NE-OD2 3.4Å; R180-D182 IonicContact NH2-OD1 3.59Å; R180-D182 IonicContact NH2-OD2 2.76Å; R180-D182 PolarHBondContact NH2-OD2 2.69Å; R180-D182 PolarHBondContact O-N 2.98Å
183N92.7Very high92.8Very high55 Ų5557.3 Ų57.329%0.29429%0.289SS..G310 helixtrans-92.4-12.6174.6-69.1-19.3000112.9R180 E181 H185 H203R180-N183 WeakPolarHBondContact O-CB 3.05Å; R180-N183 PolarHBondContact O-N 3.05Å; E181-N183 PolarHBondContact O-N 3.22Å; N183-H185 PolarHBondContact O-ND1 3.44Å; N183-H185 VanDerWaalsContact O-ND1 3.1Å; N183-H203 HydrophobicContact CB-CB 4.19Å
184T94.6Very high93Very high21 Ų2159.7 Ų59.713%0.12931%0.313CS..  trans-71.8131.9175.2-59.40000109.1E181 E200 L201 M202 E330E181-T184 WeakPolarHBondContact O-CB 3.09Å; E181-T184 PolarHBondContact O-N 3.39Å; T184-E200 HydrophobicContact CG2-CB 4.03Å; T184-L201 WeakPolarHBondContact CA-O 3.49Å; T184-M202 HydrophobicContact CG2-CG 4.37Å; T184-E330 WeakPolarHBondContact CB-OE1 3.04Å; T184-E330 WeakPolarHBondContact OG1-CG 3.24Å; T184-E330 PolarHBondContact OG1-OE1 3.26Å
185H95.6Very high93.3Very high72 Ų7260.6 Ų60.633%0.33332%0.322SS..EExtended strand (participates in β ladder)trans-146.5152.5179.158.3-74.1000110.5N183 S187 L201N183-H185 PolarHBondContact O-ND1 3.44Å; N183-H185 VanDerWaalsContact O-ND1 3.1Å; H185-S187 PolarHBondContact O-N 3.25Å; H185-L201 PolarHBondContact N-O 3.43Å; H185-L201 VanDerWaalsContact N-O 3.16Å; H185-L201 WeakPolarHBondContact O-CB 3.09Å; H185-L201 PolarHBondContact O-N 2.96Å
186T97.2Very high93.4Very high82 Ų8265.4 Ų65.450%0.50334%0.343SS..EExtended strand (participates in β ladder)trans-62.3131.1173-51.30000110.9S198 V199 E200T186-S198 WeakPolarHBondContact CG2-OG 3.37Å; T186-V199 CarbonylContact C-O 3.51Å; T186-V199 WeakPolarHBondContact CA-O 2.84Å; T186-E200 PolarHBondContact OG1-OE1 2.88Å
187S96.9Very high93.6Very high20 Ų2062.1 Ų62.114%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-145.5163.5179.9-148.60000112.3H185 V199H185-S187 PolarHBondContact O-N 3.25Å; S187-V199 PolarHBondContact N-O 3.09Å; S187-V199 PolarHBondContact O-N 2.89Å
188E97Very high93.9Very high89 Ų8963.4 Ų63.442%0.41634%0.338SS..EExtended strand (participates in β ladder)trans-76.7133.1175.8-59.9-175.6135.900111Y190 K196E188-Y190 HydrophobicContact CB-CE2 4.37Å; E188-Y190 PolarHBondContact OE2-OH 2.88Å; E188-K196 HydrophobicContact CB-CD 4.47Å; E188-K196 HydrophobicContact CG-CD 4.33Å; E188-K196 WeakPolarHBondContact OE1-CD 3.16Å; E188-K196 IonicContact OE1-NZ 3.57Å; E188-K196 PolarHBondContact OE1-NZ 3.24Å; E188-K196 IonicContact OE2-NZ 3.34Å; E188-K196 PolarHBondContact OE2-NZ 3.3Å
189F97.7Very high94.2Very high0 Ų061.6 Ų61.60%033%0.326CS..EExtended strand (participates in β ladder)trans-113.5132.4164.1-172-82.9000109.1K196 M197 V199 P274 N361 H362 P363 F364 T382 P384F189-K196 CarbonylContact O-C 3.46Å; F189-K196 WeakPolarHBondContact O-CA 3.23Å; F189-M197 HydrophobicContact CB-CG 3.78Å; F189-M197 HydrophobicContact CB-SD 4.48Å; F189-M197 HydrophobicContact CD1-CG 4.11Å; F189-M197 HydrophobicContact CD1-SD 3.91Å; F189-M197 HydrophobicContact CG-CG 4.37Å; F189-M197 PolarHBondContact N-O 2.84Å; F189-M197 PolarHBondContact O-N 3.46Å; F189-V199 HydrophobicContact CB-CB 4.43Å; F189-V199 HydrophobicContact CB-CG1 3.7Å; F189-V199 HydrophobicContact CB-CG2 3.81Å; F189-V199 HydrophobicContact CG-CG1 4.36Å; F189-P274 HydrophobicContact CE2-CG 4.43Å; F189-N361 CarbonylContact C-O 3.54Å; F189-N361 VanDerWaalsContact CA-O 3.29Å; F189-N361 WeakPolarHBondContact CA-O 3.19Å; F189-H362 VanDerWaalsContact CE2-N 3.31Å; F189-H362 VanDerWaalsContact CZ-CA 3.46Å; F189-P363 HydrophobicContact CE1-CG 4.29Å; F189-F364 HydrophobicContact CE2-CD1 4.28Å; F189-F364 HydrophobicContact CE2-CE1 4.02Å; F189-F364 HydrophobicContact CZ-CD1 4.34Å; F189-F364 HydrophobicContact CZ-CE1 4.27Å; F189-T382 WeakPolarHBondContact CE1-O 3.45Å; F189-P384 HydrophobicContact CD1-CG 4.3Å; F189-P384 HydrophobicContact CD2-CG 3.67Å; F189-P384 HydrophobicContact CE1-CG 4.22Å; F189-P384 HydrophobicContact CE2-CG 3.58Å; F189-P384 HydrophobicContact CG-CG 4.04Å; F189-P384 HydrophobicContact CZ-CG 3.86Å
190Y97.1Very high94.4Very high57 Ų5765 Ų6522%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-95.6120-176.7-63.9-99.9000109.6E188 K196 N240 N361 H362 P363E188-Y190 HydrophobicContact CB-CE2 4.37Å; E188-Y190 PolarHBondContact OE2-OH 2.88Å; Y190-K196 HydrophobicContact CD1-CD 4.46Å; Y190-K196 HydrophobicContact CD1-CG 4.12Å; Y190-K196 HydrophobicContact CE1-CD 4.06Å; Y190-K196 VanDerWaalsContact CE1-CE 3.5Å; Y190-K196 HydrophobicContact CE1-CG 4.22Å; Y190-K196 PolarHBondContact OH-NZ 3.3Å; Y190-N240 WeakPolarHBondContact CB-ND2 3.24Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.5Å; Y190-N361 WeakPolarHBondContact CD2-O 3.45Å; Y190-N361 PolarHBondContact N-O 3.02Å; Y190-H362 WeakPolarHBondContact O-CA 3.47Å; Y190-P363 WeakPolarHBondContact O-CD 3.32Å
191E94.4Very high94.8Very high48 Ų4857.6 Ų57.622%0.22431%0.314CS..  trans-79.9165.6178.4-64.4178.692.100111.8N193 G194 S195 M197E191-N193 VanDerWaalsContact CB-OD1 3.31Å; E191-N193 WeakPolarHBondContact CB-OD1 3.16Å; E191-N193 PolarHBondContact O-N 2.83Å; E191-G194 PolarHBondContact O-N 3.3Å; E191-S195 PolarHBondContact N-O 3.38Å; E191-S195 PolarHBondContact OE2-OG 3Å; E191-M197 HydrophobicContact CG-CG 4.32Å; E191-M197 HydrophobicContact CG-SD 4Å
192L93Very high95Very high45 Ų4552.8 Ų52.824%0.23629%0.291CS..THydrogen-bonded Turntrans-60.5-31.6-178-70.8175.2000113.7W26 G194 L243 P244 P363 T382W26-L192 HydrophobicContact CB-CD1 3.44Å; W26-L192 VanDerWaalsContact CB-CD1 3.44Å; W26-L192 HydrophobicContact CG-CD1 3.73Å; L192-G194 PolarHBondContact O-N 3.44Å; L192-L243 HydrophobicContact CD2-CB 4.17Å; L192-P244 HydrophobicContact CD2-CG 4.45Å; L192-P363 HydrophobicContact CD2-CB 3.82Å; L192-P363 HydrophobicContact CD2-CG 3.62Å; L192-P363 HydrophobicContact CG-CB 4.23Å; L192-P363 HydrophobicContact CG-CG 3.7Å; L192-T382 HydrophobicContact CD1-CG2 4.07Å
193N92Very high95.2Very high120 Ų12049.3 Ų49.364%0.64227%0.272SS*.THydrogen-bonded Turntrans-79.8-1.4177.163.52.8000112.9E191 S195E191-N193 VanDerWaalsContact CB-OD1 3.31Å; E191-N193 WeakPolarHBondContact CB-OD1 3.16Å; E191-N193 PolarHBondContact O-N 2.83Å; N193-S195 VanDerWaalsContact CG-OG 3.31Å; N193-S195 PolarHBondContact ND2-OG 3.32Å; N193-S195 VanDerWaalsContact ND2-OG 3.12Å; N193-S195 PolarHBondContact OD1-N 2.95Å; N193-S195 PolarHBondContact OD1-OG 3.47Å
194G92.4Very high95.1Very high55 Ų5547.9 Ų47.957%0.56726%0.264SS*.SBendtrans85.4-4.1-17700000115.5E191 L192E191-G194 PolarHBondContact O-N 3.3Å; L192-G194 PolarHBondContact O-N 3.44Å
195S94.9Very high95.1Very high46 Ų4650.4 Ų50.432%0.32227%0.274SS..  trans-67.3165.4169.357.80000111E191 N193E191-S195 PolarHBondContact N-O 3.38Å; E191-S195 PolarHBondContact OE2-OG 3Å; N193-S195 VanDerWaalsContact CG-OG 3.31Å; N193-S195 PolarHBondContact ND2-OG 3.32Å; N193-S195 VanDerWaalsContact ND2-OG 3.12Å; N193-S195 PolarHBondContact OD1-N 2.95Å; N193-S195 PolarHBondContact OD1-OG 3.47Å
196K95.3Very high95Very high107 Ų10747.8 Ų47.847%0.46526%0.264SS..EExtended strand (participates in β ladder)trans-120.8143.5179.9-55.9-172.2-172.1-168.70109.7E188 F189 Y190E188-K196 HydrophobicContact CB-CD 4.47Å; E188-K196 HydrophobicContact CG-CD 4.33Å; E188-K196 WeakPolarHBondContact OE1-CD 3.16Å; E188-K196 IonicContact OE1-NZ 3.57Å; E188-K196 PolarHBondContact OE1-NZ 3.24Å; E188-K196 IonicContact OE2-NZ 3.34Å; E188-K196 PolarHBondContact OE2-NZ 3.3Å; F189-K196 CarbonylContact O-C 3.46Å; F189-K196 WeakPolarHBondContact O-CA 3.23Å; Y190-K196 HydrophobicContact CD1-CD 4.46Å; Y190-K196 HydrophobicContact CD1-CG 4.12Å; Y190-K196 HydrophobicContact CE1-CD 4.06Å; Y190-K196 VanDerWaalsContact CE1-CE 3.5Å; Y190-K196 HydrophobicContact CE1-CG 4.22Å; Y190-K196 PolarHBondContact OH-NZ 3.3Å
197M94.9Very high94.9Very high28 Ų2849.7 Ų49.714%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-127.6155.1172.664.6-175-57.500110.1F189 E191 V199 S383 L385F189-M197 HydrophobicContact CB-CG 3.78Å; F189-M197 HydrophobicContact CB-SD 4.48Å; F189-M197 HydrophobicContact CD1-CG 4.11Å; F189-M197 HydrophobicContact CD1-SD 3.91Å; F189-M197 HydrophobicContact CG-CG 4.37Å; F189-M197 PolarHBondContact N-O 2.84Å; F189-M197 PolarHBondContact O-N 3.46Å; E191-M197 HydrophobicContact CG-CG 4.32Å; E191-M197 HydrophobicContact CG-SD 4Å; M197-V199 HydrophobicContact CE-CG1 4.15Å; M197-V199 HydrophobicContact CG-CG1 4.09Å; M197-V199 HydrophobicContact SD-CG1 4.42Å; M197-S383 VanDerWaalsContact CE-OG 3.29Å; M197-S383 WeakPolarHBondContact CE-OG 3.27Å; M197-S383 PolarHBondContact SD-OG 2.69Å; M197-S383 VanDerWaalsContact SD-OG 3.41Å; M197-L385 HydrophobicContact CE-CB 3.46Å; M197-L385 VanDerWaalsContact CE-CB 3.46Å; M197-L385 HydrophobicContact CE-CD1 3.42Å; M197-L385 VanDerWaalsContact CE-CD1 3.42Å; M197-L385 HydrophobicContact CE-CG 3.32Å
198S96.2Very high94.8Very high75 Ų7549.1 Ų49.152%0.52426%0.258SS..EExtended strand (participates in β ladder)trans-93123179.8-169.90000109.8T186 L385T186-S198 WeakPolarHBondContact CG2-OG 3.37Å; S198-L385 WeakPolarHBondContact O-CD1 3.33Å
199V95.8Very high94.8Very high3 Ų347.4 Ų47.42%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-128.5154.2-178.7-57.10000111.5T186 S187 F189 M197 L201 P274 P384 L385T186-V199 CarbonylContact C-O 3.51Å; T186-V199 WeakPolarHBondContact CA-O 2.84Å; S187-V199 PolarHBondContact N-O 3.09Å; S187-V199 PolarHBondContact O-N 2.89Å; F189-V199 HydrophobicContact CB-CB 4.43Å; F189-V199 HydrophobicContact CB-CG1 3.7Å; F189-V199 HydrophobicContact CB-CG2 3.81Å; F189-V199 HydrophobicContact CG-CG1 4.36Å; M197-V199 HydrophobicContact CE-CG1 4.15Å; M197-V199 HydrophobicContact CG-CG1 4.09Å; M197-V199 HydrophobicContact SD-CG1 4.42Å; V199-L201 PolarHBondContact O-N 2.75Å; V199-P274 HydrophobicContact CG2-CB 4.19Å; V199-P384 HydrophobicContact CG1-CB 4.1Å; V199-P384 HydrophobicContact CG1-CG 4.11Å; V199-L385 HydrophobicContact CG1-CG 4.36Å
200E95.3Very high94.7Very high77 Ų7748.7 Ų48.736%0.3626%0.258SS..EExtended strand (participates in β ladder)trans-79.1110.8170.4-68.7-56.4118.200109.8T184 T186 P274 K275T184-E200 HydrophobicContact CG2-CB 4.03Å; T186-E200 PolarHBondContact OG1-OE1 2.88Å; E200-P274 WeakPolarHBondContact O-CA 3.34Å; E200-K275 HydrophobicContact CB-CD 4.11Å; E200-K275 HydrophobicContact CB-CG 4.27Å; E200-K275 PolarHBondContact O-N 3.07Å
201L95.6Very high94.8Very high2 Ų247 Ų471%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-102.3109.1-174.5-169.669.6000110T184 H185 V199 Y272 P274T184-L201 WeakPolarHBondContact CA-O 3.49Å; H185-L201 PolarHBondContact N-O 3.43Å; H185-L201 VanDerWaalsContact N-O 3.16Å; H185-L201 WeakPolarHBondContact O-CB 3.09Å; H185-L201 PolarHBondContact O-N 2.96Å; V199-L201 PolarHBondContact O-N 2.75Å; L201-Y272 HydrophobicContact CD2-CD1 3.91Å; L201-Y272 HydrophobicContact CD2-CG 4.19Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; L201-P274 HydrophobicContact CD1-CB 4.44Å
202M95.3Very high94.9Very high0 Ų048.2 Ų48.20%027%0.267CS..EExtended strand (participates in β ladder)trans-75.8147.1176.8-52.2-177.1-66.800110.1F179 T184 Y272 L273 K275 V328 E330F179-M202 HydrophobicContact CB-CB 3.96Å; F179-M202 HydrophobicContact CB-SD 4.36Å; F179-M202 HydrophobicContact CD1-CB 3.65Å; F179-M202 HydrophobicContact CD2-CB 4.44Å; F179-M202 HydrophobicContact CD2-CE 4.09Å; F179-M202 HydrophobicContact CD2-SD 4.15Å; F179-M202 HydrophobicContact CE1-CB 4.27Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.76Å; F179-M202 HydrophobicContact CG-SD 4.24Å; T184-M202 HydrophobicContact CG2-CG 4.37Å; M202-Y272 VanDerWaalsContact O-CA 3.25Å; M202-Y272 WeakPolarHBondContact O-CA 3.46Å; M202-L273 WeakPolarHBondContact CB-O 3.33Å; M202-L273 HydrophobicContact CE-CB 4.35Å; M202-L273 HydrophobicContact CE-CD2 4.12Å; M202-L273 HydrophobicContact CE-CG 4.34Å; M202-L273 PolarHBondContact N-O 2.85Å; M202-L273 PolarHBondContact O-N 2.86Å; M202-K275 HydrophobicContact CG-CG 3.88Å; M202-K275 HydrophobicContact SD-CG 3.88Å; M202-V328 HydrophobicContact CE-CG1 3.58Å; M202-E330 HydrophobicContact CG-CG 4.1Å; M202-E330 HydrophobicContact SD-CB 4.31Å; M202-E330 HydrophobicContact SD-CG 3.77Å; M202-E330 PolarHBondContact SD-N 2.97Å
203H94.4Very high95.1Very high34 Ų3446.1 Ų46.116%0.15726%0.256CS..EExtended strand (participates in β ladder)trans-134.9133.8-177.8167.2-119.9000113.1N183 L271 Y272N183-H203 HydrophobicContact CB-CB 4.19Å; H203-L271 WeakPolarHBondContact CA-O 3.28Å; H203-L271 PolarHBondContact CD2-O 3.46Å; H203-Y272 HydrophobicContact CB-CD1 3.77Å; H203-Y272 HydrophobicContact CB-CE1 3.81Å; H203-Y272 AromaticContact CD2-CD1 3.85Å; H203-Y272 AromaticContact CD2-CE1 3.38Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.3Å; H203-Y272 AromaticContact CD2-CZ 3.47Å; H203-Y272 VanDerWaalsContact CD2-CZ 3.47Å; H203-Y272 AromaticContact CG-CE1 3.6Å; H203-Y272 AromaticContact NE2-CZ 3.86Å
204N92.3Very high95.2Very high24 Ų2444.8 Ų44.813%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-142138.3172.1-166.1-26.1000110.4L177 S178 F179 L271L177-N204 PolarHBondContact O-ND2 2.97Å; S178-N204 PolarHBondContact O-ND2 2.68Å; S178-N204 VanDerWaalsContact O-ND2 3.12Å; F179-N204 HydrophobicContact CD1-CB 3.68Å; F179-N204 HydrophobicContact CE1-CB 3.8Å; N204-L271 PolarHBondContact N-O 2.97Å; N204-L271 PolarHBondContact O-N 3.45Å
205E93.5Very high95.3Very high74 Ų7446.4 Ų46.435%0.34625%0.247SC..EExtended strand (participates in β ladder)trans-110.6106.6172-175.1-179126.100109.2K268 L269 K270 I355E205-K268 WeakPolarHBondContact OE1-CE 3.41Å; E205-K268 IonicContact OE1-NZ 2.67Å; E205-K268 PolarHBondContact OE1-NZ 3.3Å; E205-L269 WeakPolarHBondContact CA-O 3.42Å; E205-K270 HydrophobicContact CB-CG 4.39Å; E205-K270 HydrophobicContact CG-CG 4.05Å; E205-K270 WeakPolarHBondContact OE2-CE 3.49Å; E205-I355 VanDerWaalsContact OE1-CD1 3.27Å; E205-I355 WeakPolarHBondContact OE1-CD1 3.38Å
206S93.9Very high95.4Very high18 Ų1844.4 Ų44.413%0.12623%0.233CC..EExtended strand (participates in β ladder)trans-153.7-173.9-178.8-164.60000111.7L177 K268 L269L177-S206 WeakPolarHBondContact CD1-OG 3.35Å; S206-K268 CarbonylContact O-C 3.58Å; S206-K268 WeakPolarHBondContact O-CA 3.39Å; S206-L269 PolarHBondContact N-O 3.05Å; S206-L269 PolarHBondContact O-N 3.11Å
207Y94.3Very high95.4Very high121 Ų12146.1 Ų46.148%0.47524%0.24SC..EExtended strand (participates in β ladder)trans-86.6122.2171.8-67.4-88.4000110.2I266 M267 K268Y207-I266 HydrophobicContact CD1-CG2 4.17Å; Y207-I266 HydrophobicContact CG-CG2 4.45Å; Y207-M267 WeakPolarHBondContact CA-O 2.95Å; Y207-K268 HydrophobicContact CD1-CB 4.14Å; Y207-K268 HydrophobicContact CE1-CB 3.84Å
208F95.7Very high95.6Very high9 Ų944.8 Ų44.84%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-128.9155.2176.7-64.1-83.4000110.1M210 V221 I223 I266 M267 L269 L271F208-M210 PolarHBondContact O-N 3.04Å; F208-V221 HydrophobicContact CB-CG2 3.8Å; F208-V221 HydrophobicContact CG-CG2 4.39Å; F208-I223 HydrophobicContact CE1-CG2 4.26Å; F208-I266 WeakPolarHBondContact O-CA 3.36Å; F208-M267 PolarHBondContact N-O 3.22Å; F208-M267 PolarHBondContact O-N 2.97Å; F208-L269 HydrophobicContact CB-CD2 4.19Å; F208-L269 HydrophobicContact CD2-CB 4.15Å; F208-L269 HydrophobicContact CD2-CD2 4.28Å; F208-L271 HydrophobicContact CD1-CD2 4.45Å; F208-L271 HydrophobicContact CD2-CB 4.44Å; F208-L271 HydrophobicContact CE1-CD2 3.95Å; F208-L271 HydrophobicContact CE2-CB 3.97Å; F208-L271 HydrophobicContact CE2-CD2 4.11Å; F208-L271 HydrophobicContact CZ-CB 4.38Å; F208-L271 HydrophobicContact CZ-CD2 3.75Å
209N96.2Very high95.7Very high53 Ų5343.8 Ų43.828%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-77.7114.1169.6-85-43.5000108.5V221 K222 F264 I266N209-V221 CarbonylContact O-C 3.25Å; N209-V221 WeakPolarHBondContact O-CA 3.31Å; N209-K222 HydrophobicContact CB-CB 3.81Å; N209-K222 HydrophobicContact CB-CD 4.42Å; N209-K222 PolarHBondContact O-N 3.26Å; N209-F264 HydrophobicContact CB-CB 4.09Å; N209-F264 HydrophobicContact CB-CD1 4.21Å; N209-I266 WeakPolarHBondContact OD1-CG1 3.12Å
210M97.1Very high95.8Very high27 Ų2743.7 Ų43.713%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-127.2149.6179.5-178.3-177.316300110.8F208 R219 A220 Q265 M267 L269 F358F208-M210 PolarHBondContact O-N 3.04Å; M210-R219 HydrophobicContact CE-CB 4.23Å; M210-A220 CarbonylContact C-O 3.59Å; M210-A220 VanDerWaalsContact CA-O 3.29Å; M210-A220 WeakPolarHBondContact CA-O 3.4Å; M210-A220 WeakPolarHBondContact CG-O 3.35Å; M210-Q265 PolarHBondContact N-O 3.5Å; M210-Q265 PolarHBondContact O-N 3.28Å; M210-M267 HydrophobicContact CB-CG 4.22Å; M210-M267 HydrophobicContact CB-SD 3.95Å; M210-M267 HydrophobicContact CG-SD 4.3Å; M210-M267 HydrophobicContact SD-SD 3.84Å; M210-L269 HydrophobicContact SD-CD1 3.74Å; M210-L269 HydrophobicContact SD-CD2 4.3Å; M210-F358 HydrophobicContact CE-CD2 4.16Å; M210-F358 HydrophobicContact CG-CD2 4.49Å; M210-F358 HydrophobicContact SD-CD2 4.12Å
211T97.4Very high95.9Very high20 Ų2040 Ų4012%0.12320%0.2CC..EExtended strand (participates in β ladder)trans-142.9155.7169.6-161.60000111.3L213 R219 A220 S263 F264T211-L213 HydrophobicContact CG2-CD2 3.9Å; T211-L213 HydrophobicContact CG2-CG 4.12Å; T211-R219 WeakPolarHBondContact O-CA 3.22Å; T211-A220 HydrophobicContact CG2-CB 4.14Å; T211-A220 PolarHBondContact N-O 3.24Å; T211-A220 PolarHBondContact O-N 2.59Å; T211-S263 WeakPolarHBondContact CB-O 3.24Å; T211-S263 PolarHBondContact OG1-O 3Å; T211-F264 HydrophobicContact CG2-CD1 3.99Å; T211-F264 HydrophobicContact CG2-CD2 4.31Å; T211-F264 HydrophobicContact CG2-CE1 3.67Å; T211-F264 HydrophobicContact CG2-CE2 4Å; T211-F264 HydrophobicContact CG2-CG 4.3Å; T211-F264 HydrophobicContact CG2-CZ 3.66Å
212S97.2Very high96Very high74 Ų7440.7 Ų40.752%0.51720%0.203SC..EExtended strand (participates in β ladder)trans-96.5141.1168.9178.60000108.6P214S212-P214 VanDerWaalsContact C-CD 3.46Å; S212-P214 WeakPolarHBondContact O-CD 3.47Å
213L96.7Very high96Very high1 Ų140.9 Ų40.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-12371.8-179.6-57.5166.7000109.2T211 H215 L216 K217 S218 A220 V235 I259T211-L213 HydrophobicContact CG2-CD2 3.9Å; T211-L213 HydrophobicContact CG2-CG 4.12Å; L213-H215 PolarHBondContact O-N 2.89Å; L213-L216 HydrophobicContact CB-CB 4.13Å; L213-L216 HydrophobicContact CB-CD1 4.38Å; L213-L216 HydrophobicContact CB-CG 4.45Å; L213-L216 HydrophobicContact CD1-CD1 4.2Å; L213-L216 CarbonylContact O-C 3.59Å; L213-L216 WeakPolarHBondContact O-CA 3.43Å; L213-L216 PolarHBondContact O-N 3.2Å; L213-K217 PolarHBondContact O-N 2.88Å; L213-K217 VanDerWaalsContact O-N 3.08Å; L213-S218 CarbonylContact C-O 3.55Å; L213-S218 WeakPolarHBondContact CA-O 3.43Å; L213-S218 WeakPolarHBondContact CB-O 3.37Å; L213-S218 PolarHBondContact N-O 3.32Å; L213-S218 PolarHBondContact O-N 2.82Å; L213-A220 HydrophobicContact CD1-CB 3.77Å; L213-V235 HydrophobicContact CD1-CG1 4Å; L213-I259 HydrophobicContact CD1-CD1 4.38Å; L213-I259 HydrophobicContact CD1-CG1 4.32Å; L213-I259 HydrophobicContact CD1-CG2 3.94Å
214P95.3Very high96Very high93 Ų9341.1 Ų41.160%0.60421%0.209SC*.G310 helixtrans-59.1-33.3-175.4-2534.7000113.5S212 L216 K217S212-P214 VanDerWaalsContact C-CD 3.46Å; S212-P214 WeakPolarHBondContact O-CD 3.47Å; P214-L216 PolarHBondContact O-N 2.83Å; P214-K217 PolarHBondContact O-N 3.34Å; P214-K217 VanDerWaalsContact O-N 3.09Å
215H93.7Very high96Very high89 Ų8940.1 Ų40.141%0.41220%0.203SC..G310 helixtrans-67.4-18.6176.662.5-80.6000113.2L213L213-H215 PolarHBondContact O-N 2.89Å
216L96.4Very high95.9Very high4 Ų439.6 Ų39.62%0.02120%0.2CC..G310 helixtrans-107.85.4172.6-58.5-179.5000112.6L213 P214 S218 L246 M250 H253 I259L213-L216 HydrophobicContact CB-CB 4.13Å; L213-L216 HydrophobicContact CB-CD1 4.38Å; L213-L216 HydrophobicContact CB-CG 4.45Å; L213-L216 HydrophobicContact CD1-CD1 4.2Å; L213-L216 CarbonylContact O-C 3.59Å; L213-L216 WeakPolarHBondContact O-CA 3.43Å; L213-L216 PolarHBondContact O-N 3.2Å; P214-L216 PolarHBondContact O-N 2.83Å; L216-S218 WeakPolarHBondContact O-CB 3.24Å; L216-S218 PolarHBondContact O-N 2.86Å; L216-S218 PolarHBondContact O-OG 3.03Å; L216-L246 HydrophobicContact CB-CD1 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.12Å; L216-M250 HydrophobicContact CD1-CG 3.97Å; L216-M250 HydrophobicContact CD2-CG 4.41Å; L216-H253 HydrophobicContact CD2-CB 4.36Å; L216-I259 HydrophobicContact CD1-CD1 3.73Å; L216-I259 HydrophobicContact CD1-CG1 3.82Å
217K96.9Very high95.8Very high142 Ų14239.9 Ų39.962%0.61720%0.2SC*.THydrogen-bonded Turntrans4744.9-173.5-56.1176.4-175.7172.10112.2L213 P214 D238L213-K217 PolarHBondContact O-N 2.88Å; L213-K217 VanDerWaalsContact O-N 3.08Å; P214-K217 PolarHBondContact O-N 3.34Å; P214-K217 VanDerWaalsContact O-N 3.09Å; K217-D238 VanDerWaalsContact C-CG 3.49Å; K217-D238 WeakPolarHBondContact O-CB 3.42Å; K217-D238 PolarHBondContact O-N 2.9Å
218S98.1Very high95.6Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-148.1173.5-168.8-63.80000111L213 L216 L236 P237 D238L213-S218 CarbonylContact C-O 3.55Å; L213-S218 WeakPolarHBondContact CA-O 3.43Å; L213-S218 WeakPolarHBondContact CB-O 3.37Å; L213-S218 PolarHBondContact N-O 3.32Å; L213-S218 PolarHBondContact O-N 2.82Å; L216-S218 WeakPolarHBondContact O-CB 3.24Å; L216-S218 PolarHBondContact O-N 2.86Å; L216-S218 PolarHBondContact O-OG 3.03Å; S218-L236 CarbonylContact C-O 3.56Å; S218-L236 VanDerWaalsContact CA-O 3.31Å; S218-L236 WeakPolarHBondContact CA-O 3.32Å; S218-L236 WeakPolarHBondContact CB-O 3.47Å; S218-P237 WeakPolarHBondContact OG-CA 3.33Å; S218-D238 PolarHBondContact N-OD2 3.09Å
219R97.9Very high95.5Very high55 Ų5543.2 Ų43.221%0.20823%0.228CC..EExtended strand (participates in β ladder)trans-137.5153.8171.353.3177.8-165.5168.5-2.5110.2M210 T211 V235 L236 Q357 F358M210-R219 HydrophobicContact CE-CB 4.23Å; T211-R219 WeakPolarHBondContact O-CA 3.22Å; R219-V235 WeakPolarHBondContact O-CA 3.21Å; R219-L236 HydrophobicContact CG-CB 4.38Å; R219-L236 PolarHBondContact N-O 3.21Å; R219-L236 PolarHBondContact O-N 2.92Å; R219-Q357 PolarHBondContact NH1-O 2.87Å; R219-Q357 PolarHBondContact NH2-O 2.86Å; R219-Q357 VanDerWaalsContact NH2-O 3.14Å; R219-F358 HydrophobicContact CB-CE2 4.06Å; R219-F358 HydrophobicContact CG-CD2 4.22Å; R219-F358 HydrophobicContact CG-CE2 3.56Å; R219-F358 HydrophobicContact CG-CZ 4.16Å
220A98.3Very high95.5Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-129.6146.7-17800000112.6M210 T211 L213 L233 V234 V235 I259 F264M210-A220 CarbonylContact C-O 3.59Å; M210-A220 VanDerWaalsContact CA-O 3.29Å; M210-A220 WeakPolarHBondContact CA-O 3.4Å; M210-A220 WeakPolarHBondContact CG-O 3.35Å; T211-A220 HydrophobicContact CG2-CB 4.14Å; T211-A220 PolarHBondContact N-O 3.24Å; T211-A220 PolarHBondContact O-N 2.59Å; L213-A220 HydrophobicContact CD1-CB 3.77Å; A220-L233 HydrophobicContact CB-CD1 4.04Å; A220-V234 CarbonylContact C-O 3.36Å; A220-V234 WeakPolarHBondContact CA-O 3.28Å; A220-V235 HydrophobicContact CB-CG2 4.02Å; A220-I259 HydrophobicContact CB-CG2 4.41Å; A220-F264 HydrophobicContact CB-CE1 4.04Å; A220-F264 HydrophobicContact CB-CZ 4.09Å
221V97.9Very high95.4Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-131.1140.1173.566.90000109.9F208 N209 I223 V234 L269 L271 F358F208-V221 HydrophobicContact CB-CG2 3.8Å; F208-V221 HydrophobicContact CG-CG2 4.39Å; N209-V221 CarbonylContact O-C 3.25Å; N209-V221 WeakPolarHBondContact O-CA 3.31Å; V221-I223 HydrophobicContact CG1-CD1 4.39Å; V221-I223 HydrophobicContact CG1-CG1 4.28Å; V221-I223 HydrophobicContact CG2-CG1 4.46Å; V221-V234 HydrophobicContact CG1-CB 3.96Å; V221-V234 PolarHBondContact N-O 3.42Å; V221-V234 PolarHBondContact O-N 3.45Å; V221-L269 HydrophobicContact CG2-CD2 3.9Å; V221-L271 HydrophobicContact CG1-CD1 4.23Å; V221-F358 HydrophobicContact CB-CD1 4.41Å; V221-F358 HydrophobicContact CB-CD2 4.08Å; V221-F358 HydrophobicContact CB-CE1 4.31Å; V221-F358 HydrophobicContact CB-CE2 3.96Å; V221-F358 HydrophobicContact CB-CG 4.31Å; V221-F358 HydrophobicContact CB-CZ 4.09Å; V221-F358 HydrophobicContact CG1-CD1 3.71Å; V221-F358 HydrophobicContact CG1-CD2 4.24Å; V221-F358 HydrophobicContact CG1-CE1 3.48Å; V221-F358 VanDerWaalsContact CG1-CE1 3.48Å; V221-F358 HydrophobicContact CG1-CE2 4.02Å; V221-F358 HydrophobicContact CG1-CG 4.09Å; V221-F358 HydrophobicContact CG1-CZ 3.66Å
222K96.6Very high95.3Very high17 Ų1739.1 Ų39.17%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-102.5120.6172.7-83.4-175.6176.9-166.70108.6N209 T231 L232 L233 F264 D372N209-K222 HydrophobicContact CB-CB 3.81Å; N209-K222 HydrophobicContact CB-CD 4.42Å; N209-K222 PolarHBondContact O-N 3.26Å; K222-T231 HydrophobicContact CB-CG2 3.53Å; K222-T231 HydrophobicContact CD-CG2 4.22Å; K222-T231 HydrophobicContact CG-CG2 3.74Å; K222-L232 WeakPolarHBondContact CA-O 3.45Å; K222-L233 HydrophobicContact CG-CD1 4.11Å; K222-F264 HydrophobicContact CD-CD1 4.26Å; K222-F264 HydrophobicContact CD-CD2 4.49Å; K222-F264 HydrophobicContact CD-CE1 4.3Å; K222-F264 HydrophobicContact CD-CG 4.36Å; K222-F264 HydrophobicContact CD-CZ 4.45Å; K222-F264 HydrophobicContact CG-CD1 4.21Å; K222-F264 HydrophobicContact CG-CE1 3.93Å; K222-F264 HydrophobicContact CG-CZ 4.28Å; K222-D372 IonicContact NZ-OD1 3.28Å; K222-D372 PolarHBondContact NZ-OD1 2.89Å
223I95.4Very high95.3Very high4 Ų435.6 Ų35.62%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-111.1106.6-179.3-52.3167.5000107.9W175 F208 V221 L232 V234 L271 L273W175-I223 HydrophobicContact CD2-CG2 4.47Å; W175-I223 HydrophobicContact CE3-CG2 3.64Å; W175-I223 HydrophobicContact CZ3-CB 4.34Å; W175-I223 HydrophobicContact CZ3-CG2 3.79Å; F208-I223 HydrophobicContact CE1-CG2 4.26Å; V221-I223 HydrophobicContact CG1-CD1 4.39Å; V221-I223 HydrophobicContact CG1-CG1 4.28Å; V221-I223 HydrophobicContact CG2-CG1 4.46Å; I223-L232 HydrophobicContact CB-CB 4.33Å; I223-L232 HydrophobicContact CD1-CD2 4.26Å; I223-L232 PolarHBondContact N-O 3.04Å; I223-L232 PolarHBondContact O-N 3.43Å; I223-V234 HydrophobicContact CD1-CG2 4.03Å; I223-L271 HydrophobicContact CD1-CD1 4.35Å; I223-L271 HydrophobicContact CD1-CD2 3.71Å; I223-L271 HydrophobicContact CG1-CD2 3.87Å; I223-L273 HydrophobicContact CD1-CD2 4.08Å
224P94.4Very high95.3Very high39 Ų3935.5 Ų35.525%0.25318%0.181SC..EExtended strand (participates in β ladder)trans-68.9140.4-176.3-20.433.2000112.8D176D176-P224 HydrophobicContact CB-CB 4.02Å; D176-P224 PolarHBondContact N-O 3.39Å
225F93Very high95.5Very high2 Ų231.1 Ų31.11%0.00915%0.152CC..BIsolated β-bridgetrans-84.9164.8162.1-65.9-81.1000110.1V88 F171 M174 W175 N227 F230 L232 F326 I368V88-F225 HydrophobicContact CG2-CB 3.75Å; V88-F225 HydrophobicContact CG2-CG 4.37Å; F171-F225 HydrophobicContact CE1-CD1 4.39Å; F171-F225 HydrophobicContact CE1-CD2 4.49Å; F171-F225 AromaticContact CE1-CE1 3.83Å; F171-F225 HydrophobicContact CE1-CE1 3.83Å; F171-F225 AromaticContact CE1-CE2 3.95Å; F171-F225 HydrophobicContact CE1-CE2 3.95Å; F171-F225 AromaticContact CE1-CZ 3.59Å; F171-F225 HydrophobicContact CE1-CZ 3.59Å; F171-F225 HydrophobicContact CZ-CD1 4.46Å; F171-F225 HydrophobicContact CZ-CD2 4.06Å; F171-F225 HydrophobicContact CZ-CE1 4.28Å; F171-F225 AromaticContact CZ-CE2 3.86Å; F171-F225 HydrophobicContact CZ-CE2 3.86Å; F171-F225 HydrophobicContact CZ-CG 4.35Å; F171-F225 AromaticContact CZ-CZ 3.98Å; F171-F225 HydrophobicContact CZ-CZ 3.98Å; M174-F225 CarbonylContact O-C 3.58Å; M174-F225 VanDerWaalsContact O-CA 3.28Å; M174-F225 WeakPolarHBondContact O-CA 3.45Å; M174-F225 WeakPolarHBondContact O-CB 3.48Å; M174-F225 WeakPolarHBondContact O-CD1 3.14Å; W175-F225 HydrophobicContact CD2-CE1 4.38Å; W175-F225 AromaticContact CE3-CD1 3.82Å; W175-F225 HydrophobicContact CE3-CD1 3.82Å; W175-F225 AromaticContact CE3-CE1 3.7Å; W175-F225 HydrophobicContact CE3-CE1 3.7Å; W175-F225 HydrophobicContact CE3-CZ 4.29Å; W175-F225 HydrophobicContact CH2-CD1 4.48Å; W175-F225 AromaticContact CH2-CE1 3.55Å; W175-F225 HydrophobicContact CH2-CE1 3.55Å; W175-F225 AromaticContact CH2-CZ 3.68Å; W175-F225 HydrophobicContact CH2-CZ 3.68Å; 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 3.26Å; W175-F225 HydrophobicContact CZ3-CE1 3.26Å; W175-F225 HydrophobicContact CZ3-CE2 4.13Å; W175-F225 HydrophobicContact CZ3-CG 4.46Å; 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 3.38Å; F225-N227 VanDerWaalsContact O-C 3.25Å; F225-N227 PolarHBondContact O-N 3.16Å; F225-N227 VanDerWaalsContact O-N 3.13Å; F225-F230 HydrophobicContact CB-CB 4.22Å; F225-F230 HydrophobicContact CD2-CB 3.84Å; F225-F230 WeakPolarHBondContact CD2-O 3.42Å; F225-F230 HydrophobicContact CG-CB 4.4Å; F225-F230 PolarHBondContact N-O 2.89Å; F225-L232 HydrophobicContact CE2-CB 3.84Å; F225-L232 HydrophobicContact CZ-CB 4.02Å; F225-F326 HydrophobicContact CZ-CE2 4.27Å; F225-F326 HydrophobicContact CZ-CZ 4.49Å; F225-I368 HydrophobicContact CE2-CG2 4.45Å
226K91.2Very high95.7Very high63 Ų6326.9 Ų26.927%0.27413%0.132SC..SBendtrans-56.6-29.7179.8-173.1168.6-170.9166.50113.3M174 P228M174-K226 HydrophobicContact CB-CB 4.06Å; M174-K226 HydrophobicContact CB-CD 4.21Å; M174-K226 HydrophobicContact CE-CD 4.5Å; M174-K226 WeakPolarHBondContact O-CB 3.28Å; M174-K226 PolarHBondContact O-N 3.46Å; M174-K226 HydrophobicContact SD-CD 4.02Å; K226-P228 WeakPolarHBondContact O-CD 3.27Å
227N91.8Very high95.8Very high24 Ų2426.9 Ų26.913%0.12813%0.132CC..SBendtrans-88.2110.9161.4-179.4-10.4000108S85 V88 F225 K229 F230S85-N227 WeakPolarHBondContact CB-ND2 3.3Å; S85-N227 PolarHBondContact OG-ND2 3.47Å; V88-N227 HydrophobicContact CB-CB 4.11Å; V88-N227 HydrophobicContact CG2-CB 3.74Å; F225-N227 CarbonylContact O-C 3.38Å; F225-N227 VanDerWaalsContact O-C 3.25Å; F225-N227 PolarHBondContact O-N 3.16Å; F225-N227 VanDerWaalsContact O-N 3.13Å; N227-K229 PolarHBondContact O-N 3.34Å; N227-K229 WeakPolarHBondContact OD1-CB 3.06Å; N227-K229 WeakPolarHBondContact OD1-CG 3.32Å; N227-K229 PolarHBondContact OD1-N 2.53Å; N227-K229 VanDerWaalsContact OD1-N 3.1Å; N227-F230 HydrophobicContact CB-CD2 4.1Å; N227-F230 PolarHBondContact O-N 3.45Å
228P91Very high95.9Very high104 Ų10424.6 Ų24.668%0.67513%0.127SC*.THydrogen-bonded Turntrans-65.7-11.5-173.928-36.5000113.5K226 F230K226-P228 WeakPolarHBondContact O-CD 3.27Å; P228-F230 PolarHBondContact O-N 3.18Å
229K93.8Very high95.8Very high97 Ų9728.5 Ų28.542%0.42215%0.151SC..THydrogen-bonded Turntrans-66.9-22.4170.5-64.4-172.9175.7-174.20112.7N227 W370 N371N227-K229 PolarHBondContact O-N 3.34Å; N227-K229 WeakPolarHBondContact OD1-CB 3.06Å; N227-K229 WeakPolarHBondContact OD1-CG 3.32Å; N227-K229 PolarHBondContact OD1-N 2.53Å; N227-K229 VanDerWaalsContact OD1-N 3.1Å; K229-W370 CarbonylContact O-C 3.58Å; K229-W370 VanDerWaalsContact O-CA 3.24Å; K229-W370 WeakPolarHBondContact O-CA 3.38Å; K229-N371 WeakPolarHBondContact CD-OD1 2.91Å; K229-N371 WeakPolarHBondContact CG-OD1 3.46Å; K229-N371 PolarHBondContact O-N 3.37Å
230F94.3Very high95.8Very high3 Ų328.7 Ų28.71%0.01316%0.156CC..EExtended strand (participates in β ladder)trans-109.5132.3-179.8-64-85.6000110.2V88 I90 F171 F225 N227 P228 I368 I369 W370V88-F230 HydrophobicContact CB-CD2 4.17Å; V88-F230 HydrophobicContact CB-CE2 4.48Å; V88-F230 HydrophobicContact CG1-CD2 3.76Å; V88-F230 HydrophobicContact CG1-CE2 3.9Å; V88-F230 HydrophobicContact CG1-CG 4.11Å; V88-F230 HydrophobicContact CG1-CZ 4.39Å; V88-F230 HydrophobicContact CG2-CB 4.44Å; V88-F230 HydrophobicContact CG2-CD2 4.2Å; I90-F230 HydrophobicContact CD1-CE1 4.43Å; I90-F230 HydrophobicContact CG2-CZ 4.46Å; F171-F230 AromaticContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CD1 3.82Å; F171-F230 HydrophobicContact CE2-CE1 4.23Å; F171-F230 HydrophobicContact CE2-CG 4.2Å; F171-F230 HydrophobicContact CZ-CB 4.4Å; F171-F230 HydrophobicContact CZ-CD1 4.48Å; F225-F230 HydrophobicContact CB-CB 4.22Å; F225-F230 HydrophobicContact CD2-CB 3.84Å; F225-F230 WeakPolarHBondContact CD2-O 3.42Å; F225-F230 HydrophobicContact CG-CB 4.4Å; F225-F230 PolarHBondContact N-O 2.89Å; N227-F230 HydrophobicContact CB-CD2 4.1Å; N227-F230 PolarHBondContact O-N 3.45Å; P228-F230 PolarHBondContact O-N 3.18Å; F230-I368 HydrophobicContact CD1-CG2 4.21Å; F230-I369 WeakPolarHBondContact CA-O 3.38Å; F230-W370 HydrophobicContact CD1-CB 4.37Å; F230-W370 AromaticContact CD1-CD1 3.99Å; F230-W370 HydrophobicContact CE1-CB 4.22Å; F230-W370 AromaticContact CE1-CD1 3.52Å; F230-W370 HydrophobicContact CE1-CG 4.12Å; F230-W370 AromaticContact CZ-CD1 3.55Å; F230-W370 HydrophobicContact CZ-CG 4.47Å; F230-W370 AromaticContact CZ-NE1 3.95Å
231T95.4Very high95.6Very high10 Ų1033.6 Ų33.66%0.06118%0.182CC..EExtended strand (participates in β ladder)trans-136.9135.5177.2-68.50000109.6K222 I369K222-T231 HydrophobicContact CB-CG2 3.53Å; K222-T231 HydrophobicContact CD-CG2 4.22Å; K222-T231 HydrophobicContact CG-CG2 3.74Å; T231-I369 PolarHBondContact N-O 3.45Å; T231-I369 PolarHBondContact O-N 3.26Å
232L95.7Very high95.5Very high0 Ų033.8 Ų33.80%018%0.184CC..EExtended strand (participates in β ladder)trans-81.6115.6165.9178.167.5000108.6W175 K222 I223 F225 V234 L273 F326 I366 I368W175-L232 HydrophobicContact CH2-CB 4.24Å; W175-L232 HydrophobicContact CH2-CD2 3.64Å; W175-L232 HydrophobicContact CZ3-CB 3.96Å; W175-L232 HydrophobicContact CZ3-CD2 4.13Å; K222-L232 WeakPolarHBondContact CA-O 3.45Å; I223-L232 HydrophobicContact CB-CB 4.33Å; I223-L232 HydrophobicContact CD1-CD2 4.26Å; I223-L232 PolarHBondContact N-O 3.04Å; I223-L232 PolarHBondContact O-N 3.43Å; F225-L232 HydrophobicContact CE2-CB 3.84Å; F225-L232 HydrophobicContact CZ-CB 4.02Å; L232-V234 HydrophobicContact CD2-CG2 3.92Å; L232-V234 HydrophobicContact CG-CG2 3.97Å; L232-L273 HydrophobicContact CD2-CD2 4.39Å; L232-F326 HydrophobicContact CD1-CE1 4.25Å; L232-F326 HydrophobicContact CD1-CZ 4.02Å; L232-F326 HydrophobicContact CD2-CZ 4.47Å; L232-I366 HydrophobicContact CD1-CB 4.16Å; L232-I366 HydrophobicContact CD1-CG2 4.5Å; L232-I368 HydrophobicContact CD1-CG1 4.4Å
233L97.2Very high95.5Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-86.3126.1165.6177.367.8000108.5A220 K222 V235 I256 I259 L260 F264 I366 S367 I369A220-L233 HydrophobicContact CB-CD1 4.04Å; K222-L233 HydrophobicContact CG-CD1 4.11Å; L233-V235 HydrophobicContact CD1-CG2 4.39Å; L233-V235 HydrophobicContact CD2-CG2 4.15Å; L233-V235 HydrophobicContact CG-CG2 4.05Å; L233-I256 HydrophobicContact CD2-CD1 4.19Å; L233-I256 HydrophobicContact CD2-CG1 4.21Å; L233-I259 HydrophobicContact CD1-CG2 4.45Å; L233-I259 HydrophobicContact CD2-CG2 4.05Å; L233-L260 HydrophobicContact CD2-CD2 4.04Å; L233-F264 HydrophobicContact CD1-CE1 4.25Å; L233-F264 HydrophobicContact CD1-CZ 3.89Å; L233-I366 CarbonylContact O-C 3.48Å; L233-I366 VanDerWaalsContact O-CA 3.3Å; L233-I366 WeakPolarHBondContact O-CA 3.39Å; L233-S367 PolarHBondContact N-O 3.13Å; L233-S367 PolarHBondContact O-N 3.01Å; L233-I369 HydrophobicContact CB-CD1 4.48Å; L233-I369 HydrophobicContact CB-CG1 3.92Å; L233-I369 HydrophobicContact CD2-CD1 4.49Å
234V97.8Very high95.5Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-115.5125.3169.4179.80000108.2A220 V221 I223 L232 L273 F358 V360 F364 I366A220-V234 CarbonylContact C-O 3.36Å; A220-V234 WeakPolarHBondContact CA-O 3.28Å; V221-V234 HydrophobicContact CG1-CB 3.96Å; V221-V234 PolarHBondContact N-O 3.42Å; V221-V234 PolarHBondContact O-N 3.45Å; I223-V234 HydrophobicContact CD1-CG2 4.03Å; L232-V234 HydrophobicContact CD2-CG2 3.92Å; L232-V234 HydrophobicContact CG-CG2 3.97Å; V234-L273 HydrophobicContact CG2-CD1 4.22Å; V234-F358 HydrophobicContact CB-CE1 4.49Å; V234-F358 HydrophobicContact CG1-CE1 4.04Å; V234-F358 HydrophobicContact CG1-CZ 4.49Å; V234-V360 HydrophobicContact CG1-CG2 3.92Å; V234-F364 HydrophobicContact CG1-CD2 3.82Å; V234-F364 HydrophobicContact CG1-CE2 4.46Å; V234-F364 HydrophobicContact CG1-CG 4.48Å; V234-I366 HydrophobicContact CG2-CG2 4.31Å
235V98.4Very high95.5Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-113.8116.9173.8-1720000108L213 R219 A220 L233 L246 I259 F365L213-V235 HydrophobicContact CD1-CG1 4Å; R219-V235 WeakPolarHBondContact O-CA 3.21Å; A220-V235 HydrophobicContact CB-CG2 4.02Å; L233-V235 HydrophobicContact CD1-CG2 4.39Å; L233-V235 HydrophobicContact CD2-CG2 4.15Å; L233-V235 HydrophobicContact CG-CG2 4.05Å; V235-L246 HydrophobicContact CB-CD2 4.29Å; V235-L246 HydrophobicContact CG1-CD1 3.87Å; V235-L246 HydrophobicContact CG1-CD2 3.83Å; V235-I259 HydrophobicContact CG1-CD1 4.43Å; V235-I259 HydrophobicContact CG2-CD1 3.95Å; V235-I259 HydrophobicContact CG2-CG2 4.26Å; V235-F365 HydrophobicContact CB-CB 4.21Å; V235-F365 HydrophobicContact CB-CD1 4.11Å; V235-F365 HydrophobicContact CG2-CD1 3.82Å; V235-F365 PolarHBondContact N-O 2.99Å; V235-F365 PolarHBondContact O-N 3.46Å
236L98.5Very high95.6Very high1 Ų136.9 Ų36.91%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-113.9120.6-173.5-174.469.2000109.1S218 R219 F358 R359 V360 H362 F364S218-L236 CarbonylContact C-O 3.56Å; S218-L236 VanDerWaalsContact CA-O 3.31Å; S218-L236 WeakPolarHBondContact CA-O 3.32Å; S218-L236 WeakPolarHBondContact CB-O 3.47Å; R219-L236 HydrophobicContact CG-CB 4.38Å; R219-L236 PolarHBondContact N-O 3.21Å; R219-L236 PolarHBondContact O-N 2.92Å; L236-F358 HydrophobicContact CB-CE1 3.87Å; L236-F358 HydrophobicContact CB-CZ 3.61Å; L236-F358 HydrophobicContact CD2-CD1 4.39Å; L236-F358 HydrophobicContact CD2-CE1 4.01Å; L236-F358 HydrophobicContact CD2-CZ 4.31Å; L236-R359 WeakPolarHBondContact CD2-O 3.4Å; L236-V360 HydrophobicContact CD1-CG1 4.24Å; L236-V360 HydrophobicContact CD2-CG2 4.45Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.19Å; L236-H362 VanDerWaalsContact CD1-NE2 3.33Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.29Å; L236-F364 HydrophobicContact CD1-CB 3.9Å
237P98.3Very high95.7Very high3 Ų334.3 Ų34.32%0.01919%0.191CC..EExtended strand (participates in β ladder)trans-55.9154.1170.1-23.633.9000112.9S218 V239 L243 L246 H362 P363S218-P237 WeakPolarHBondContact OG-CA 3.33Å; P237-V239 WeakPolarHBondContact CB-O 3.4Å; P237-V239 PolarHBondContact O-N 2.97Å; P237-L243 HydrophobicContact CG-CB 4.46Å; P237-L246 HydrophobicContact CG-CB 4.16Å; P237-L246 HydrophobicContact CG-CD2 3.82Å; P237-H362 PolarHBondContact O-CE1 3.39Å; P237-H362 PolarHBondContact O-NE2 3.47Å; P237-P363 WeakPolarHBondContact CD-O 2.87Å
238D97.9Very high95.7Very high95 Ų9537 Ų3751%0.50821%0.205SC..SBendtrans-75.4-17.5176.6-66.3-31.8000112.2K217 S218K217-D238 VanDerWaalsContact C-CG 3.49Å; K217-D238 WeakPolarHBondContact O-CB 3.42Å; K217-D238 PolarHBondContact O-N 2.9Å; S218-D238 PolarHBondContact N-OD2 3.09Å
239V97.3Very high95.8Very high81 Ų8133.4 Ų33.449%0.49118%0.182SC..SBendtrans-125.9146.3179.5-59.10000111.4P237 N241 G242P237-V239 WeakPolarHBondContact CB-O 3.4Å; P237-V239 PolarHBondContact O-N 2.97Å; V239-N241 VanDerWaalsContact C-N 3.29Å; V239-N241 PolarHBondContact O-N 3.09Å; V239-N241 VanDerWaalsContact O-N 3.15Å; V239-G242 PolarHBondContact O-N 3.18Å
240N96.5Very high95.7Very high60 Ų6029.2 Ų29.232%0.32116%0.164SC..THydrogen-bonded Turntrans-57.6-35.7-169.2-66.2-8.3000114.9Y190 H362Y190-N240 WeakPolarHBondContact CB-ND2 3.24Å; Y190-N240 WeakPolarHBondContact CD1-ND2 3.5Å; N240-H362 HydrophobicContact CB-CB 3.96Å; N240-H362 PolarHBondContact OD1-ND1 3.5Å
241N95Very high95.2Very high102 Ų10234.3 Ų34.355%0.54518%0.184SC..THydrogen-bonded Turntrans-97.716.1179.665.2-17.6000113V239 L243 P244V239-N241 VanDerWaalsContact C-N 3.29Å; V239-N241 PolarHBondContact O-N 3.09Å; V239-N241 VanDerWaalsContact O-N 3.15Å; N241-L243 VanDerWaalsContact C-N 3.35Å; N241-L243 PolarHBondContact O-N 3.49Å; N241-P244 WeakPolarHBondContact O-CD 3.31Å
242G96.7Very high94.8Very high5 Ų540 Ų405%0.05221%0.208CC..  trans-81.3-3.7-171.700000115.6V239 D245 L246V239-G242 PolarHBondContact O-N 3.18Å; G242-D245 PolarHBondContact O-N 2.82Å; G242-L246 WeakPolarHBondContact O-CB 3.19Å; G242-L246 PolarHBondContact O-N 3.47Å
243L96.1Very high94.4Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-58-45.3-177.7177.469.5000113.2L192 P237 N241 D245 L246 L247 P363 F365 H380 T382L192-L243 HydrophobicContact CD2-CB 4.17Å; P237-L243 HydrophobicContact CG-CB 4.46Å; N241-L243 VanDerWaalsContact C-N 3.35Å; N241-L243 PolarHBondContact O-N 3.49Å; L243-D245 VanDerWaalsContact C-N 3.33Å; L243-D245 PolarHBondContact O-N 3.44Å; L243-L246 HydrophobicContact CD1-CD2 4.28Å; L243-L246 WeakPolarHBondContact O-CB 3.5Å; L243-L246 PolarHBondContact O-N 2.78Å; L243-L247 HydrophobicContact CD1-CD1 4.02Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; L243-L247 HydrophobicContact CD1-CG 3.93Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 WeakPolarHBondContact O-CG 3.39Å; L243-L247 PolarHBondContact O-N 3.34Å; L243-P363 HydrophobicContact CB-CB 3.79Å; L243-P363 HydrophobicContact CD2-CB 3.61Å; L243-P363 HydrophobicContact CG-CB 4.29Å; L243-F365 HydrophobicContact CD1-CB 4.5Å; L243-H380 HydrophobicContact CD1-CB 4.04Å; L243-H380 HydrophobicContact CD2-CB 3.95Å; L243-T382 HydrophobicContact CD2-CG2 4Å
244P94.2Very high93.9Very high34 Ų3446.7 Ų46.722%0.22125%0.251CS..Hα-helixtrans-58.4-43.3176.7-27.137.9000113W26 L192 N241 L247 N248W26-P244 HydrophobicContact CD2-CG 4.44Å; W26-P244 HydrophobicContact CH2-CB 4.34Å; W26-P244 HydrophobicContact CZ2-CB 3.64Å; W26-P244 HydrophobicContact CZ2-CG 3.99Å; L192-P244 HydrophobicContact CD2-CG 4.45Å; N241-P244 WeakPolarHBondContact O-CD 3.31Å; P244-L247 PolarHBondContact O-N 3Å; P244-N248 WeakPolarHBondContact O-CB 3.09Å; P244-N248 PolarHBondContact O-N 3.27Å
245D94.5Very high93.5Very high91 Ų9146.9 Ų46.949%0.48725%0.253SS..Hα-helixtrans-65.1-41.3177.1-80.8-7000111.5G242 L243 S249G242-D245 PolarHBondContact O-N 2.82Å; L243-D245 VanDerWaalsContact C-N 3.33Å; L243-D245 PolarHBondContact O-N 3.44Å; D245-S249 WeakPolarHBondContact O-CB 2.94Å; D245-S249 PolarHBondContact O-N 2.7Å; D245-S249 PolarHBondContact O-OG 2.77Å
246L96Very high93.2Very high1 Ų147 Ų471%0.00525%0.254CS..Hα-helixtrans-58.2-53.1174.4165.560.7000110.4L216 V235 P237 G242 L243 N248 S249 M250 F365L216-L246 HydrophobicContact CB-CD1 3.97Å; L216-L246 HydrophobicContact CD1-CD1 4.12Å; V235-L246 HydrophobicContact CB-CD2 4.29Å; V235-L246 HydrophobicContact CG1-CD1 3.87Å; V235-L246 HydrophobicContact CG1-CD2 3.83Å; P237-L246 HydrophobicContact CG-CB 4.16Å; P237-L246 HydrophobicContact CG-CD2 3.82Å; G242-L246 WeakPolarHBondContact O-CB 3.19Å; G242-L246 PolarHBondContact O-N 3.47Å; L243-L246 HydrophobicContact CD1-CD2 4.28Å; L243-L246 WeakPolarHBondContact O-CB 3.5Å; L243-L246 PolarHBondContact O-N 2.78Å; L246-N248 PolarHBondContact O-N 3.03Å; L246-S249 PolarHBondContact O-N 2.89Å; L246-S249 VanDerWaalsContact O-N 3.16Å; L246-M250 HydrophobicContact CD1-CG 3.65Å; L246-M250 HydrophobicContact CD1-SD 3.75Å; L246-M250 HydrophobicContact CG-CG 4.31Å; L246-M250 HydrophobicContact CG-SD 4Å; L246-M250 WeakPolarHBondContact O-CB 3.48Å; L246-M250 VanDerWaalsContact O-CG 3.29Å; L246-M250 WeakPolarHBondContact O-CG 3.33Å; L246-M250 PolarHBondContact O-N 3.45Å; L246-F365 HydrophobicContact CD2-CB 4.1Å
247L94.2Very high92.8Very high10 Ų1048.6 Ų48.65%0.05227%0.265CS..Hα-helixtrans-63.3-42.5-176.3-64.9176.5000112.1Y15 I19 W26 L243 P244 S249 M250 Y251 F365 H380Y15-L247 HydrophobicContact CE1-CD2 3.95Å; I19-L247 HydrophobicContact CD1-CD1 3.98Å; I19-L247 HydrophobicContact CG1-CD1 4.4Å; I19-L247 HydrophobicContact CG2-CB 4.47Å; W26-L247 HydrophobicContact CE3-CD1 4.15Å; W26-L247 HydrophobicContact CH2-CD1 4.07Å; W26-L247 HydrophobicContact CZ3-CD1 3.43Å; W26-L247 VanDerWaalsContact CZ3-CD1 3.43Å; L243-L247 HydrophobicContact CD1-CD1 4.02Å; L243-L247 HydrophobicContact CD1-CD2 4.26Å; L243-L247 HydrophobicContact CD1-CG 3.93Å; L243-L247 HydrophobicContact CG-CD1 3.96Å; L243-L247 HydrophobicContact CG-CG 4.25Å; L243-L247 WeakPolarHBondContact O-CG 3.39Å; L243-L247 PolarHBondContact O-N 3.34Å; P244-L247 PolarHBondContact O-N 3Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.32Å; L247-M250 HydrophobicContact CD2-SD 4.38Å; L247-M250 PolarHBondContact O-N 3.42Å; L247-Y251 PolarHBondContact O-N 2.89Å; L247-F365 HydrophobicContact CD2-CB 4.4Å; L247-F365 HydrophobicContact CD2-CD2 3.87Å; L247-H380 HydrophobicContact CD1-CB 4.36Å
248N91.8Very high92.5Very high80 Ų8049.9 Ų49.943%0.42827%0.274SS..Hα-helixtrans-63.4-38.1174.6-174.825.8000112.2P244 L246 K252P244-N248 WeakPolarHBondContact O-CB 3.09Å; P244-N248 PolarHBondContact O-N 3.27Å; L246-N248 PolarHBondContact O-N 3.03Å; N248-K252 PolarHBondContact ND2-NZ 3.49Å; N248-K252 WeakPolarHBondContact O-CG 3.44Å; N248-K252 VanDerWaalsContact OD1-CE 3.31Å; N248-K252 WeakPolarHBondContact OD1-CE 3.35Å; N248-K252 PolarHBondContact OD1-NZ 2.96Å
249S92.5Very high92.4Very high28 Ų2845.3 Ų45.320%0.19625%0.25CC..Hα-helixtrans-75.5-36.9179.8-57.10000112.2D245 L246 L247 Y251 K252 H253D245-S249 WeakPolarHBondContact O-CB 2.94Å; D245-S249 PolarHBondContact O-N 2.7Å; D245-S249 PolarHBondContact O-OG 2.77Å; L246-S249 PolarHBondContact O-N 2.89Å; L246-S249 VanDerWaalsContact O-N 3.16Å; L247-S249 VanDerWaalsContact C-N 3.33Å; L247-S249 PolarHBondContact O-N 3.32Å; S249-Y251 VanDerWaalsContact C-N 3.28Å; S249-Y251 PolarHBondContact O-N 3.15Å; S249-K252 PolarHBondContact O-N 2.95Å; S249-H253 WeakPolarHBondContact O-CB 3.33Å; S249-H253 PolarHBondContact O-CD2 2.91Å; S249-H253 PolarHBondContact O-N 2.97Å
250M91.7Very high92.2Very high10 Ų1042.4 Ų42.45%0.04923%0.232CC..Hα-helixtrans-53.9-48.4176.8-80.9-178.76200110.7L216 L246 L247 H253 G255 I256 I259 F365L216-M250 HydrophobicContact CD1-CG 3.97Å; L216-M250 HydrophobicContact CD2-CG 4.41Å; L246-M250 HydrophobicContact CD1-CG 3.65Å; L246-M250 HydrophobicContact CD1-SD 3.75Å; L246-M250 HydrophobicContact CG-CG 4.31Å; L246-M250 HydrophobicContact CG-SD 4Å; L246-M250 WeakPolarHBondContact O-CB 3.48Å; L246-M250 VanDerWaalsContact O-CG 3.29Å; L246-M250 WeakPolarHBondContact O-CG 3.33Å; L246-M250 PolarHBondContact O-N 3.45Å; L247-M250 HydrophobicContact CD2-SD 4.38Å; L247-M250 PolarHBondContact O-N 3.42Å; M250-H253 CarbonylContact O-C 3.56Å; M250-H253 PolarHBondContact O-N 2.89Å; M250-G255 VanDerWaalsContact O-CA 3.22Å; M250-G255 WeakPolarHBondContact O-CA 3.27Å; M250-G255 PolarHBondContact O-N 2.87Å; M250-I256 HydrophobicContact CE-CB 4.47Å; M250-I259 HydrophobicContact CE-CD1 3.66Å; M250-I259 HydrophobicContact CG-CD1 4.03Å; M250-I259 HydrophobicContact SD-CD1 3.96Å; M250-F365 HydrophobicContact CE-CD1 4.1Å; M250-F365 HydrophobicContact CE-CD2 4.19Å; M250-F365 HydrophobicContact CE-CE1 3.9Å; M250-F365 HydrophobicContact CE-CE2 3.99Å; M250-F365 HydrophobicContact CE-CG 4.24Å; M250-F365 HydrophobicContact CE-CZ 3.84Å; M250-F365 HydrophobicContact SD-CB 4.5Å; M250-F365 HydrophobicContact SD-CD1 4.34Å; M250-F365 HydrophobicContact SD-CD2 4.26Å; M250-F365 HydrophobicContact SD-CG 4.1Å
251Y84.1Confident92Very high109 Ų10944.5 Ų44.543%0.42725%0.251SS..Hα-helixtrans-59.7-51.7177.2172.6-107.7000112.8E16 L247 S249 H253 G254E16-Y251 HydrophobicContact CB-CD2 3.79Å; E16-Y251 HydrophobicContact CB-CE2 4.12Å; E16-Y251 HydrophobicContact CB-CG 4.29Å; E16-Y251 VanDerWaalsContact CD-CD2 3.49Å; E16-Y251 VanDerWaalsContact CD-CE1 3.43Å; E16-Y251 HydrophobicContact CG-CD1 4.09Å; E16-Y251 HydrophobicContact CG-CD2 3.62Å; E16-Y251 HydrophobicContact CG-CE1 4.32Å; E16-Y251 HydrophobicContact CG-CE2 3.88Å; E16-Y251 HydrophobicContact CG-CG 3.71Å; E16-Y251 WeakPolarHBondContact OE1-CD1 3.36Å; E16-Y251 WeakPolarHBondContact OE1-CE1 3.34Å; E16-Y251 PolarHBondContact OE1-OH 2.94Å; E16-Y251 WeakPolarHBondContact OE2-CE2 3.27Å; E16-Y251 PolarHBondContact OE2-OH 3.44Å; L247-Y251 PolarHBondContact O-N 2.89Å; S249-Y251 VanDerWaalsContact C-N 3.28Å; S249-Y251 PolarHBondContact O-N 3.15Å; Y251-H253 PolarHBondContact O-N 2.65Å; Y251-H253 VanDerWaalsContact O-N 3.1Å; Y251-G254 PolarHBondContact O-N 2.95Å
252K87.4Confident92Very high131 Ų13141.1 Ų41.157%0.5724%0.235SC*.Hα-helixtrans-60.6-23.8-178.8-70.2171.9-179.1167.50113.4N248 S249N248-K252 PolarHBondContact ND2-NZ 3.49Å; N248-K252 WeakPolarHBondContact O-CG 3.44Å; N248-K252 VanDerWaalsContact OD1-CE 3.31Å; N248-K252 WeakPolarHBondContact OD1-CE 3.35Å; N248-K252 PolarHBondContact OD1-NZ 2.96Å; S249-K252 PolarHBondContact O-N 2.95Å
253H86.9Confident91.9Very high94 Ų9445.2 Ų45.244%0.43526%0.263SS..THydrogen-bonded Turntrans-112.134.9-175.6-63.7-61.6000113.1L216 S249 M250 Y251 S258L216-H253 HydrophobicContact CD2-CB 4.36Å; S249-H253 WeakPolarHBondContact O-CB 3.33Å; S249-H253 PolarHBondContact O-CD2 2.91Å; S249-H253 PolarHBondContact O-N 2.97Å; M250-H253 CarbonylContact O-C 3.56Å; M250-H253 PolarHBondContact O-N 2.89Å; Y251-H253 PolarHBondContact O-N 2.65Å; Y251-H253 VanDerWaalsContact O-N 3.1Å; H253-S258 WeakPolarHBondContact O-CB 3.34Å; H253-S258 PolarHBondContact O-OG 2.92Å
254G85.4Confident92Very high45 Ų4546.8 Ų46.846%0.46427%0.27SS..THydrogen-bonded Turntrans84.321169.300000115.1Y251 S258Y251-G254 PolarHBondContact O-N 2.95Å; G254-S258 PolarHBondContact O-N 3.49Å
255G89.7Confident92.1Very high4 Ų451.4 Ų51.44%0.04129%0.289CS..Hα-helixtrans68.4-154.1170.200000114.2D12 M250 S257 S258D12-G255 WeakPolarHBondContact OD1-CA 3.41Å; M250-G255 VanDerWaalsContact O-CA 3.22Å; M250-G255 WeakPolarHBondContact O-CA 3.27Å; M250-G255 PolarHBondContact O-N 2.87Å; G255-S257 PolarHBondContact O-N 3.18Å; G255-S258 PolarHBondContact O-OG 3.43Å
256I92.4Very high92.1Very high2 Ų253.1 Ų53.11%0.0130%0.296CS..Hα-helixtrans-69.7-25.7179.1-162.8-178.3000112.1D12 L233 M250 S258 I259 L260 F365 S367 I369 P375D12-I256 PolarHBondContact OD1-N 3.12Å; L233-I256 HydrophobicContact CD2-CD1 4.19Å; L233-I256 HydrophobicContact CD2-CG1 4.21Å; M250-I256 HydrophobicContact CE-CB 4.47Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 3.06Å; I256-I259 WeakPolarHBondContact O-CB 3.24Å; I256-I259 PolarHBondContact O-N 2.83Å; I256-I259 VanDerWaalsContact O-N 3.15Å; I256-L260 HydrophobicContact CG1-CD1 4.47Å; I256-L260 HydrophobicContact CG1-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CG 3.33Å; I256-L260 PolarHBondContact O-N 3.49Å; I256-F365 HydrophobicContact CD1-CE1 3.98Å; I256-F365 HydrophobicContact CD1-CZ 3.97Å; I256-F365 HydrophobicContact CG1-CE1 4.32Å; I256-F365 HydrophobicContact CG1-CZ 4.43Å; I256-S367 VanDerWaalsContact CD1-CB 3.46Å; I256-S367 WeakPolarHBondContact CD1-OG 3.45Å; I256-I369 HydrophobicContact CD1-CD1 3.79Å; I256-P375 HydrophobicContact CD1-CB 3.93Å; I256-P375 HydrophobicContact CG2-CB 4.29Å; I256-P375 HydrophobicContact CG2-CG 3.81Å
257S90.3Very high92.1Very high35 Ų3556.1 Ų56.125%0.24531%0.311CS..Hα-helixtrans-58.8-38.2178.7-55.90000112.8T8 G255 L260 S261T8-S257 WeakPolarHBondContact CG2-OG 3.03Å; G255-S257 PolarHBondContact O-N 3.18Å; S257-L260 PolarHBondContact O-N 2.85Å; S257-S261 WeakPolarHBondContact O-CB 2.99Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 2.8Å
258S92.1Very high92.1Very high30 Ų3059.6 Ų59.621%0.2133%0.326CS..Hα-helixtrans-69.5-36.1178.168.10000112.3H253 G254 G255 I256 S261 S262H253-S258 WeakPolarHBondContact O-CB 3.34Å; H253-S258 PolarHBondContact O-OG 2.92Å; G254-S258 PolarHBondContact O-N 3.49Å; G255-S258 PolarHBondContact O-OG 3.43Å; I256-S258 VanDerWaalsContact C-N 3.28Å; I256-S258 PolarHBondContact O-N 3.06Å; S258-S261 PolarHBondContact O-N 3.41Å; S258-S262 PolarHBondContact O-N 3.38Å; S258-S262 PolarHBondContact O-OG 3.01Å
259I95.3Very high92.3Very high0 Ų055.8 Ų55.80%031%0.305CS..Hα-helixtrans-64.2-48.7172.8-57.4-176.6000109.9L213 L216 A220 L233 V235 M250 I256 S261 S262 F264L213-I259 HydrophobicContact CD1-CD1 4.38Å; L213-I259 HydrophobicContact CD1-CG1 4.32Å; L213-I259 HydrophobicContact CD1-CG2 3.94Å; L216-I259 HydrophobicContact CD1-CD1 3.73Å; L216-I259 HydrophobicContact CD1-CG1 3.82Å; A220-I259 HydrophobicContact CB-CG2 4.41Å; L233-I259 HydrophobicContact CD1-CG2 4.45Å; L233-I259 HydrophobicContact CD2-CG2 4.05Å; V235-I259 HydrophobicContact CG1-CD1 4.43Å; V235-I259 HydrophobicContact CG2-CD1 3.95Å; V235-I259 HydrophobicContact CG2-CG2 4.26Å; M250-I259 HydrophobicContact CE-CD1 3.66Å; M250-I259 HydrophobicContact CG-CD1 4.03Å; M250-I259 HydrophobicContact SD-CD1 3.96Å; I256-I259 WeakPolarHBondContact O-CB 3.24Å; I256-I259 PolarHBondContact O-N 2.83Å; I256-I259 VanDerWaalsContact O-N 3.15Å; I259-S261 PolarHBondContact O-N 2.8Å; I259-S262 WeakPolarHBondContact O-CB 3.47Å; I259-S262 PolarHBondContact O-N 3.46Å; I259-S262 PolarHBondContact O-OG 3.01Å; I259-F264 HydrophobicContact CG2-CZ 4.44Å; I259-F264 WeakPolarHBondContact O-CE2 3.09Å
260L93.7Very high92.5Very high20 Ų2057.3 Ų57.311%0.10531%0.309CS..Hα-helixtrans-63.5-30.6180-65.6175.5000112.9L233 I256 S257 S262 I369 S373L233-L260 HydrophobicContact CD2-CD2 4.04Å; I256-L260 HydrophobicContact CG1-CD1 4.47Å; I256-L260 HydrophobicContact CG1-CG 4.39Å; I256-L260 WeakPolarHBondContact O-CG 3.33Å; I256-L260 PolarHBondContact O-N 3.49Å; S257-L260 PolarHBondContact O-N 2.85Å; L260-S262 VanDerWaalsContact C-N 3.28Å; L260-I369 HydrophobicContact CD1-CD1 4.01Å; L260-I369 HydrophobicContact CD1-CG2 4.32Å; L260-I369 HydrophobicContact CD2-CD1 3.85Å; L260-I369 HydrophobicContact CD2-CG1 3.84Å; L260-I369 HydrophobicContact CD2-CG2 4.11Å; L260-I369 HydrophobicContact CG-CD1 4.46Å; L260-S373 WeakPolarHBondContact CD1-O 3.22Å
261S93.1Very high92.7Very high103 Ų10356.9 Ų56.972%0.7231%0.306SS*.THydrogen-bonded Turntrans-79.1-9.1176.7-56.30000113.6S257 S258 I259S257-S261 WeakPolarHBondContact O-CB 2.99Å; S257-S261 PolarHBondContact O-N 3.29Å; S257-S261 PolarHBondContact O-OG 2.8Å; S258-S261 PolarHBondContact O-N 3.41Å; I259-S261 PolarHBondContact O-N 2.8Å
262S94.6Very high93.4Very high32 Ų3252.9 Ų52.922%0.22429%0.291CS..SBendtrans-68.9152.9178.3-64.60000111.5S258 I259 L260 F264S258-S262 PolarHBondContact O-N 3.38Å; S258-S262 PolarHBondContact O-OG 3.01Å; I259-S262 WeakPolarHBondContact O-CB 3.47Å; I259-S262 PolarHBondContact O-N 3.46Å; I259-S262 PolarHBondContact O-OG 3.01Å; L260-S262 VanDerWaalsContact C-N 3.28Å; S262-F264 WeakPolarHBondContact O-CD2 3.4Å; S262-F264 PolarHBondContact O-N 3.4Å
263S94.7Very high93.8Very high90 Ų9046.7 Ų46.763%0.62926%0.264SS*.  trans-74.2102.7178.3-171.10000110.4T211T211-S263 WeakPolarHBondContact CB-O 3.24Å; T211-S263 PolarHBondContact OG1-O 3Å
264F96.6Very high94.1Very high33 Ų3342.2 Ų42.215%0.14524%0.243CC..  trans-82.1135.2168.3-74.4-97.4000110.3N209 T211 A220 K222 L233 I259 S262N209-F264 HydrophobicContact CB-CB 4.09Å; N209-F264 HydrophobicContact CB-CD1 4.21Å; T211-F264 HydrophobicContact CG2-CD1 3.99Å; T211-F264 HydrophobicContact CG2-CD2 4.31Å; T211-F264 HydrophobicContact CG2-CE1 3.67Å; T211-F264 HydrophobicContact CG2-CE2 4Å; T211-F264 HydrophobicContact CG2-CG 4.3Å; T211-F264 HydrophobicContact CG2-CZ 3.66Å; A220-F264 HydrophobicContact CB-CE1 4.04Å; A220-F264 HydrophobicContact CB-CZ 4.09Å; K222-F264 HydrophobicContact CD-CD1 4.26Å; K222-F264 HydrophobicContact CD-CD2 4.49Å; K222-F264 HydrophobicContact CD-CE1 4.3Å; K222-F264 HydrophobicContact CD-CG 4.36Å; K222-F264 HydrophobicContact CD-CZ 4.45Å; K222-F264 HydrophobicContact CG-CD1 4.21Å; K222-F264 HydrophobicContact CG-CE1 3.93Å; K222-F264 HydrophobicContact CG-CZ 4.28Å; L233-F264 HydrophobicContact CD1-CE1 4.25Å; L233-F264 HydrophobicContact CD1-CZ 3.89Å; I259-F264 HydrophobicContact CG2-CZ 4.44Å; I259-F264 WeakPolarHBondContact O-CE2 3.09Å; S262-F264 WeakPolarHBondContact O-CD2 3.4Å; S262-F264 PolarHBondContact O-N 3.4Å
265Q96.3Very high94.4Very high132 Ų13243.3 Ų43.362%0.61724%0.235SC*.EExtended strand (participates in β ladder)trans-113.3134.1176-64-174.3-12.600110M210 M267M210-Q265 PolarHBondContact N-O 3.5Å; M210-Q265 PolarHBondContact O-N 3.28Å; Q265-M267 PolarHBondContact O-N 2.95Å
266I95.9Very high94.2Very high126 Ų12643.4 Ų43.465%0.64623%0.234SC*.EExtended strand (participates in β ladder)trans-71119.5170.7-60.6173.4000107.8Y207 F208 N209Y207-I266 HydrophobicContact CD1-CG2 4.17Å; Y207-I266 HydrophobicContact CG-CG2 4.45Å; F208-I266 WeakPolarHBondContact O-CA 3.36Å; N209-I266 WeakPolarHBondContact OD1-CG1 3.12Å
267M94.7Very high93.6Very high65 Ų6544.8 Ų44.832%0.3224%0.24SC..EExtended strand (participates in β ladder)trans-145.2152.7178.168.5-175.4-48.500112.1Y207 F208 M210 Q265 L269 P356Y207-M267 WeakPolarHBondContact CA-O 2.95Å; F208-M267 PolarHBondContact N-O 3.22Å; F208-M267 PolarHBondContact O-N 2.97Å; M210-M267 HydrophobicContact CB-CG 4.22Å; M210-M267 HydrophobicContact CB-SD 3.95Å; M210-M267 HydrophobicContact CG-SD 4.3Å; M210-M267 HydrophobicContact SD-SD 3.84Å; Q265-M267 PolarHBondContact O-N 2.95Å; M267-L269 PolarHBondContact O-N 2.99Å; M267-P356 HydrophobicContact CE-CG 3.54Å
268K95.2Very high92.9Very high82 Ų8243.3 Ų43.336%0.35723%0.23SC..EExtended strand (participates in β ladder)trans-70.3125.5173.6-164.5177.8-175.8-161.40109.4E205 S206 Y207 I355E205-K268 WeakPolarHBondContact OE1-CE 3.41Å; E205-K268 IonicContact OE1-NZ 2.67Å; E205-K268 PolarHBondContact OE1-NZ 3.3Å; S206-K268 CarbonylContact O-C 3.58Å; S206-K268 WeakPolarHBondContact O-CA 3.39Å; Y207-K268 HydrophobicContact CD1-CB 4.14Å; Y207-K268 HydrophobicContact CE1-CB 3.84Å; K268-I355 HydrophobicContact CD-CD1 3.93Å; K268-I355 HydrophobicContact CG-CG2 4.32Å
269L95.4Very high91.7Very high0 Ų046.5 Ų46.50%024%0.237CC..EExtended strand (participates in β ladder)trans-141.8137.9-169.6-174.572.4000110.4E205 S206 F208 M210 V221 M267 L271 P356 F358E205-L269 WeakPolarHBondContact CA-O 3.42Å; S206-L269 PolarHBondContact N-O 3.05Å; S206-L269 PolarHBondContact O-N 3.11Å; F208-L269 HydrophobicContact CB-CD2 4.19Å; F208-L269 HydrophobicContact CD2-CB 4.15Å; F208-L269 HydrophobicContact CD2-CD2 4.28Å; M210-L269 HydrophobicContact SD-CD1 3.74Å; M210-L269 HydrophobicContact SD-CD2 4.3Å; V221-L269 HydrophobicContact CG2-CD2 3.9Å; M267-L269 PolarHBondContact O-N 2.99Å; L269-L271 PolarHBondContact O-N 2.91Å; L269-P356 HydrophobicContact CD1-CB 4.17Å; L269-P356 HydrophobicContact CD1-CG 4.08Å; L269-P356 WeakPolarHBondContact CD1-O 3.31Å; L269-F358 HydrophobicContact CD1-CB 3.94Å; L269-F358 HydrophobicContact CD2-CB 3.63Å; L269-F358 HydrophobicContact CD2-CG 4.42Å; L269-F358 HydrophobicContact CG-CB 3.95Å
270K96.3Very high89.9Confident61 Ų6147.3 Ų47.327%0.26524%0.241SC..EExtended strand (participates in β ladder)trans-85.9100.5164.4-68.2178.2176.3-176.40108.5E205 Y272 I355 P356 Q357 F358E205-K270 HydrophobicContact CB-CG 4.39Å; E205-K270 HydrophobicContact CG-CG 4.05Å; E205-K270 WeakPolarHBondContact OE2-CE 3.49Å; K270-Y272 HydrophobicContact CB-CE2 3.87Å; K270-I355 HydrophobicContact CG-CG2 4.03Å; K270-P356 PolarHBondContact N-O 2.9Å; K270-Q357 HydrophobicContact CB-CB 4.5Å; K270-Q357 HydrophobicContact CB-CG 4.09Å; K270-Q357 HydrophobicContact CD-CG 4.2Å; K270-Q357 CarbonylContact O-C 3.58Å; K270-Q357 WeakPolarHBondContact O-CA 3.33Å; K270-F358 PolarHBondContact O-N 2.87Å
271L97.3Very high88.4Confident0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-89.6127.3179.6177.364.1000109.6F179 H203 N204 F208 V221 I223 L269 F358F179-L271 HydrophobicContact CE1-CD2 4.1Å; F179-L271 HydrophobicContact CE1-CG 4.35Å; F179-L271 HydrophobicContact CZ-CD2 3.89Å; H203-L271 WeakPolarHBondContact CA-O 3.28Å; H203-L271 PolarHBondContact CD2-O 3.46Å; N204-L271 PolarHBondContact N-O 2.97Å; N204-L271 PolarHBondContact O-N 3.45Å; F208-L271 HydrophobicContact CD1-CD2 4.45Å; F208-L271 HydrophobicContact CD2-CB 4.44Å; F208-L271 HydrophobicContact CE1-CD2 3.95Å; F208-L271 HydrophobicContact CE2-CB 3.97Å; F208-L271 HydrophobicContact CE2-CD2 4.11Å; F208-L271 HydrophobicContact CZ-CB 4.38Å; F208-L271 HydrophobicContact CZ-CD2 3.75Å; V221-L271 HydrophobicContact CG1-CD1 4.23Å; I223-L271 HydrophobicContact CD1-CD1 4.35Å; I223-L271 HydrophobicContact CD1-CD2 3.71Å; I223-L271 HydrophobicContact CG1-CD2 3.87Å; L269-L271 PolarHBondContact O-N 2.91Å; L271-F358 HydrophobicContact CD1-CB 4.21Å; L271-F358 HydrophobicContact CD1-CD1 4.01Å; L271-F358 HydrophobicContact CD1-CG 4.45Å
272Y97.5Very high87.2Confident26 Ų2655 Ų5510%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-120.7121.4168.9-54.9-98.7000109.5L201 M202 H203 K270 Q357 F358 R359 V360L201-Y272 HydrophobicContact CD2-CD1 3.91Å; L201-Y272 HydrophobicContact CD2-CG 4.19Å; L201-Y272 HydrophobicContact CG-CD1 4.31Å; M202-Y272 VanDerWaalsContact O-CA 3.25Å; M202-Y272 WeakPolarHBondContact O-CA 3.46Å; H203-Y272 HydrophobicContact CB-CD1 3.77Å; H203-Y272 HydrophobicContact CB-CE1 3.81Å; H203-Y272 AromaticContact CD2-CD1 3.85Å; H203-Y272 AromaticContact CD2-CE1 3.38Å; H203-Y272 WeakPolarHBondContact CD2-CE1 3.3Å; H203-Y272 AromaticContact CD2-CZ 3.47Å; H203-Y272 VanDerWaalsContact CD2-CZ 3.47Å; H203-Y272 AromaticContact CG-CE1 3.6Å; H203-Y272 AromaticContact NE2-CZ 3.86Å; K270-Y272 HydrophobicContact CB-CE2 3.87Å; Y272-Q357 HydrophobicContact CE2-CB 4.42Å; Y272-Q357 HydrophobicContact CE2-CG 4.36Å; Y272-F358 PolarHBondContact N-O 2.83Å; Y272-R359 HydrophobicContact CD2-CB 4.05Å; Y272-R359 HydrophobicContact CG-CB 4.43Å; Y272-R359 HydrophobicContact CG-CG 4.5Å; Y272-V360 WeakPolarHBondContact O-CB 3.41Å; Y272-V360 PolarHBondContact O-N 2.83Å
273L96.2Very high86.7Confident0 Ų054.5 Ų54.50%027%0.268CS..EExtended strand (participates in β ladder)trans-131.1128-175.9-173.272.5000108.9F179 M202 I223 L232 V234 F276 V328 V360F179-L273 HydrophobicContact CE1-CB 4.48Å; F179-L273 HydrophobicContact CE2-CD2 4.47Å; F179-L273 HydrophobicContact CZ-CB 4.25Å; F179-L273 HydrophobicContact CZ-CD2 4.22Å; M202-L273 WeakPolarHBondContact CB-O 3.33Å; M202-L273 HydrophobicContact CE-CB 4.35Å; M202-L273 HydrophobicContact CE-CD2 4.12Å; M202-L273 HydrophobicContact CE-CG 4.34Å; M202-L273 PolarHBondContact N-O 2.85Å; M202-L273 PolarHBondContact O-N 2.86Å; I223-L273 HydrophobicContact CD1-CD2 4.08Å; L232-L273 HydrophobicContact CD2-CD2 4.39Å; V234-L273 HydrophobicContact CG2-CD1 4.22Å; L273-F276 HydrophobicContact CD1-CE1 4.49Å; L273-V328 HydrophobicContact CD2-CG1 3.82Å; L273-V328 HydrophobicContact CG-CG1 4.43Å; L273-V360 HydrophobicContact CD1-CB 4.27Å; L273-V360 HydrophobicContact CD1-CG1 4.41Å; L273-V360 HydrophobicContact CD1-CG2 4Å
274P94.6Very high86.4Confident0 Ų052.2 Ų52.20%025%0.249CC..EExtended strand (participates in β ladder)trans-69.4150178.128.2-31.2000109.5F189 V199 E200 L201 F276 V360 F364 P384F189-P274 HydrophobicContact CE2-CG 4.43Å; V199-P274 HydrophobicContact CG2-CB 4.19Å; E200-P274 WeakPolarHBondContact O-CA 3.34Å; L201-P274 HydrophobicContact CD1-CB 4.44Å; P274-F276 HydrophobicContact CG-CD1 4.23Å; P274-F276 VanDerWaalsContact O-CD1 3.26Å; P274-F276 WeakPolarHBondContact O-CD1 3.3Å; P274-V360 WeakPolarHBondContact CD-O 3.17Å; P274-V360 HydrophobicContact CG-CG1 4.28Å; P274-F364 HydrophobicContact CG-CE1 4.12Å; P274-F364 HydrophobicContact CG-CZ 4.16Å; P274-P384 HydrophobicContact CB-CB 4.25Å; P274-P384 HydrophobicContact CB-CG 4.07Å; P274-P384 HydrophobicContact CG-CG 4.1Å
275K90.9Very high86.2Confident69 Ų6954.6 Ų54.630%0.326%0.259SS..  trans-65.5137.7159-64.9-171.3-166.3-165.90108.6E200 M202 E330E200-K275 HydrophobicContact CB-CD 4.11Å; E200-K275 HydrophobicContact CB-CG 4.27Å; E200-K275 PolarHBondContact O-N 3.07Å; M202-K275 HydrophobicContact CG-CG 3.88Å; M202-K275 HydrophobicContact SD-CG 3.88Å; K275-E330 WeakPolarHBondContact CE-OE1 3.2Å; K275-E330 WeakPolarHBondContact CE-OE2 3.36Å; K275-E330 IonicContact NZ-OE1 2.62Å; K275-E330 PolarHBondContact NZ-OE1 3.32Å; K275-E330 IonicContact NZ-OE2 2.66Å; K275-E330 PolarHBondContact NZ-OE2 2.74Å
276F86.3Confident86.1Confident6 Ų648.3 Ų48.33%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-155.7153.8169.959.8-91.6000110L273 P274 L278 F326 V328 F364 I366 V381 P384L273-F276 HydrophobicContact CD1-CE1 4.49Å; P274-F276 HydrophobicContact CG-CD1 4.23Å; P274-F276 VanDerWaalsContact O-CD1 3.26Å; P274-F276 WeakPolarHBondContact O-CD1 3.3Å; F276-L278 HydrophobicContact CD2-CD1 4.18Å; F276-L278 HydrophobicContact CD2-CD2 3.98Å; F276-L278 HydrophobicContact CD2-CG 3.72Å; F276-L278 HydrophobicContact CE2-CD1 3.92Å; F276-L278 HydrophobicContact CE2-CG 3.94Å; F276-F326 AromaticContact CE2-CD1 3.96Å; F276-F326 HydrophobicContact CE2-CD1 3.96Å; F276-F326 AromaticContact CE2-CE1 3.74Å; F276-F326 HydrophobicContact CE2-CE1 3.74Å; F276-F326 HydrophobicContact CZ-CE1 4.01Å; F276-V328 HydrophobicContact CD1-CB 4.15Å; F276-V328 HydrophobicContact CD1-CG1 4.23Å; F276-V328 HydrophobicContact CD2-CB 4.4Å; F276-V328 HydrophobicContact CD2-CG2 4.4Å; F276-V328 HydrophobicContact CE1-CB 3.94Å; F276-V328 HydrophobicContact CE1-CG1 3.93Å; F276-V328 HydrophobicContact CE1-CG2 3.94Å; F276-V328 HydrophobicContact CE2-CB 4.23Å; F276-V328 HydrophobicContact CE2-CG2 3.79Å; F276-V328 HydrophobicContact CG-CB 4.38Å; F276-V328 HydrophobicContact CZ-CB 4.01Å; F276-V328 HydrophobicContact CZ-CG1 4.39Å; F276-V328 HydrophobicContact CZ-CG2 3.53Å; F276-V328 PolarHBondContact N-O 3.37Å; F276-V328 PolarHBondContact O-N 3.21Å; F276-F364 AromaticContact CD1-CZ 4Å; F276-F364 HydrophobicContact CD1-CZ 4Å; F276-F364 AromaticContact CE1-CE2 3.96Å; F276-F364 HydrophobicContact CE1-CE2 3.96Å; F276-F364 AromaticContact CE1-CZ 3.64Å; F276-F364 HydrophobicContact CE1-CZ 3.64Å; F276-F364 HydrophobicContact CZ-CE2 4.11Å; F276-F364 HydrophobicContact CZ-CZ 4.14Å; F276-I366 HydrophobicContact CE2-CD1 3.87Å; F276-I366 HydrophobicContact CZ-CD1 4.07Å; F276-V381 HydrophobicContact CD2-CG2 4.29Å; F276-V381 HydrophobicContact CE2-CG2 4.13Å; F276-V381 HydrophobicContact CZ-CG2 4.42Å; F276-P384 HydrophobicContact CB-CB 4.03Å
277K79.1Confident86.1Confident31 Ų3145 Ų4514%0.13521%0.211CC..EExtended strand (participates in β ladder)trans-126114.2171.8-171.9173.2-162.5147.60107.7R279 E327K277-R279 HydrophobicContact CD-CG 4.4Å; K277-R279 VanDerWaalsContact CE-NH2 3.26Å; K277-R279 HydrophobicContact CG-CG 4.19Å; K277-R279 VanDerWaalsContact NZ-NH2 3.14Å; K277-E327 HydrophobicContact CB-CG 4.39Å; K277-E327 HydrophobicContact CD-CG 4.23Å; K277-E327 WeakPolarHBondContact CD-OE1 3.42Å; K277-E327 VanDerWaalsContact CE-OE2 3.32Å; K277-E327 WeakPolarHBondContact CE-OE2 3.19Å; K277-E327 HydrophobicContact CG-CB 4.13Å; K277-E327 HydrophobicContact CG-CG 4.11Å; K277-E327 IonicContact NZ-OE1 2.84Å; K277-E327 PolarHBondContact NZ-OE1 3.45Å; K277-E327 IonicContact NZ-OE2 2.8Å; K277-E327 PolarHBondContact NZ-OE2 2.92Å
278L74.8Confident86.2Confident4 Ų446.4 Ų46.42%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-91.6108.4172-53.7-179.7000107N28 F30 F276 F326 I366 V381N28-L278 HydrophobicContact CB-CD2 4.11Å; F30-L278 HydrophobicContact CB-CB 3.83Å; F30-L278 HydrophobicContact CB-CD1 3.67Å; F30-L278 HydrophobicContact CB-CG 4.37Å; F30-L278 HydrophobicContact CD1-CB 4.47Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.17Å; F30-L278 HydrophobicContact CG-CD1 3.79Å; F276-L278 HydrophobicContact CD2-CD1 4.18Å; F276-L278 HydrophobicContact CD2-CD2 3.98Å; F276-L278 HydrophobicContact CD2-CG 3.72Å; F276-L278 HydrophobicContact CE2-CD1 3.92Å; F276-L278 HydrophobicContact CE2-CG 3.94Å; L278-F326 HydrophobicContact CD1-CD1 4.45Å; L278-F326 PolarHBondContact N-O 3.31Å; L278-F326 PolarHBondContact O-N 3.38Å; L278-F326 VanDerWaalsContact O-O 3.13Å; L278-I366 HydrophobicContact CD1-CD1 3.46Å; L278-I366 VanDerWaalsContact CD1-CD1 3.46Å; L278-I366 HydrophobicContact CD1-CG1 4.48Å; L278-V381 HydrophobicContact CD1-CG2 3.81Å; L278-V381 HydrophobicContact CD2-CG2 3.95Å; L278-V381 HydrophobicContact CG-CG2 4.41Å
279R66.4Low86.2Confident96 Ų9643.9 Ų43.936%0.36221%0.209SC..EExtended strand (participates in β ladder)trans-103.3132.5158.8-59.2178179.8-95.19.9104.6K277 G281 I325K277-R279 HydrophobicContact CD-CG 4.4Å; K277-R279 VanDerWaalsContact CE-NH2 3.26Å; K277-R279 HydrophobicContact CG-CG 4.19Å; K277-R279 VanDerWaalsContact NZ-NH2 3.14Å; R279-G281 VanDerWaalsContact C-N 3.34Å; R279-G281 PolarHBondContact O-N 2.87Å; R279-I325 HydrophobicContact CG-CG1 4.44Å
280E58.2Low86.3Confident17 Ų1743.9 Ų43.98%0.07921%0.209CC..  trans-60.6107.7157.2-76.2-180-152.500106.2F30 R282 H322 K323 T324F30-E280 WeakPolarHBondContact O-CG 3.29Å; E280-R282 VanDerWaalsContact C-N 3.26Å; E280-R282 PolarHBondContact O-N 2.93Å; E280-H322 IonicContact OE1-CD2 2.8Å; E280-H322 PolarHBondContact OE1-CD2 3.31Å; E280-H322 IonicContact OE1-NE2 2.83Å; E280-K323 HydrophobicContact CB-CG 4.25Å; E280-K323 WeakPolarHBondContact O-CE 3.46Å; E280-K323 VanDerWaalsContact OE2-CA 3.32Å; E280-K323 WeakPolarHBondContact OE2-CA 3.34Å; E280-T324 PolarHBondContact N-O 3.3Å; E280-T324 PolarHBondContact OE1-OG1 2.75Å
281G61.8Low86.4Confident58 Ų5846.4 Ų46.460%0.59822%0.217SC*.SBendtrans-52.5-49.4-176.200000110.7R279 K323R279-G281 VanDerWaalsContact C-N 3.34Å; R279-G281 PolarHBondContact O-N 2.87Å; G281-K323 PolarHBondContact O-NZ 3.35Å
282R69.3Low86.3Confident227 Ų22752 Ų5286%0.85724%0.241SC*.SBendtrans-112.3143170-66.5-179.3176.7177.90.2110E280E280-R282 VanDerWaalsContact C-N 3.26Å; E280-R282 PolarHBondContact O-N 2.93Å
283A83.4Confident86.3Confident21 Ų2151.1 Ų51.117%0.17424%0.238CC..  trans-58.9139.4170.700000110.3L151 K285 M321 H322 K323L151-A283 HydrophobicContact CD1-CB 3.8Å; L151-A283 WeakPolarHBondContact O-CB 3.43Å; A283-K285 PolarHBondContact O-N 3.39Å; A283-M321 HydrophobicContact CB-CE 3.95Å; A283-H322 CarbonylContact C-O 3.51Å; A283-H322 WeakPolarHBondContact CA-O 3.17Å; A283-K323 HydrophobicContact CB-CB 4.23Å; A283-K323 HydrophobicContact CB-CD 4.02Å
284L88.4Confident86.3Confident43 Ų4352.4 Ų52.423%0.22525%0.252CS..EExtended strand (participates in β ladder)trans-76.6122.2174.2-67.4173.9000110.4L31 L286 H322L31-L284 HydrophobicContact CB-CD1 4.43Å; L31-L284 HydrophobicContact CD2-CD1 4.16Å; L284-L286 HydrophobicContact CB-CD2 3.81Å; L284-H322 HydrophobicContact CB-CB 4.31Å; L284-H322 PolarHBondContact N-O 2.66Å; L284-H322 PolarHBondContact O-N 2.8Å
285K92.2Very high86.5Confident83 Ų8352.4 Ų52.436%0.36125%0.252SS..EExtended strand (participates in β ladder)trans-81110.4162.7-73.1-171.4-179.9-174.30108.5S156 A283 H289 D319 M321S156-K285 WeakPolarHBondContact OG-CE 3.29Å; S156-K285 PolarHBondContact OG-NZ 2.74Å; A283-K285 PolarHBondContact O-N 3.39Å; K285-H289 PolarHBondContact O-CE1 3.04Å; K285-H289 PolarHBondContact O-ND1 3.05Å; K285-D319 VanDerWaalsContact CB-OD2 3.27Å; K285-D319 WeakPolarHBondContact CB-OD2 3.33Å; K285-D319 WeakPolarHBondContact CD-OD2 3.5Å; K285-D319 WeakPolarHBondContact CG-OD2 3.48Å; K285-M321 HydrophobicContact CG-CE 3.91Å; K285-M321 HydrophobicContact CG-SD 3.77Å
286L95.1Very high86.8Confident0 Ų052 Ų520%025%0.253CS..  trans-88.4-12.4-172.4-59.7-173.9000113.4F14 I36 L284 D288 H289 L290 D319 V320 H322F14-L286 HydrophobicContact CE2-CD2 4.49Å; F14-L286 HydrophobicContact CZ-CD2 3.85Å; I36-L286 HydrophobicContact CB-CD1 4.34Å; I36-L286 HydrophobicContact CD1-CD1 3.85Å; I36-L286 HydrophobicContact CG1-CD1 3.78Å; I36-L286 HydrophobicContact CG2-CD1 3.69Å; L284-L286 HydrophobicContact CB-CD2 3.81Å; L286-D288 PolarHBondContact O-N 3.07Å; L286-H289 WeakPolarHBondContact O-CB 3.26Å; L286-H289 PolarHBondContact O-N 3.21Å; L286-H289 VanDerWaalsContact O-N 3.15Å; L286-L290 HydrophobicContact CB-CD1 3.66Å; L286-L290 HydrophobicContact CB-CG 3.98Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.22Å; L286-D319 PolarHBondContact N-OD1 3.3Å; L286-D319 VanDerWaalsContact N-OD1 3.11Å; L286-V320 HydrophobicContact CB-CB 4.13Å; L286-V320 VanDerWaalsContact CB-O 3.28Å; L286-V320 WeakPolarHBondContact CB-O 3.28Å; L286-V320 HydrophobicContact CD1-CB 4.43Å; L286-V320 HydrophobicContact CD1-CG1 4.09Å; L286-V320 WeakPolarHBondContact CG-O 3.48Å; L286-V320 PolarHBondContact N-O 2.97Å; L286-H322 HydrophobicContact CD1-CB 3.87Å; L286-H322 HydrophobicContact CD2-CB 4.44Å; L286-H322 HydrophobicContact CG-CB 4.14Å
287K96Very high87.4Confident56 Ų5653 Ų5324%0.24326%0.258CS..Hα-helixtrans-46-55-179.3169.3164.9172.1165.20113.3H289 L290 R291 F299 S318 D319K287-H289 PolarHBondContact O-N 2.71Å; K287-L290 PolarHBondContact O-N 3.14Å; K287-R291 VanDerWaalsContact O-CG 3.31Å; K287-R291 WeakPolarHBondContact O-CG 3.43Å; K287-R291 PolarHBondContact O-N 3.46Å; K287-F299 HydrophobicContact CB-CD1 3.96Å; K287-F299 HydrophobicContact CB-CE1 4Å; K287-F299 HydrophobicContact CB-CG 4.47Å; K287-F299 HydrophobicContact CD-CB 3.97Å; K287-F299 HydrophobicContact CD-CD1 3.88Å; K287-F299 HydrophobicContact CD-CG 4.09Å; K287-F299 HydrophobicContact CG-CB 4.1Å; K287-F299 HydrophobicContact CG-CD1 3.71Å; K287-F299 HydrophobicContact CG-CD2 4.35Å; K287-F299 HydrophobicContact CG-CE1 4.23Å; K287-F299 HydrophobicContact CG-CG 3.8Å; K287-F299 PolarHBondContact NZ-O 2.96Å; K287-S318 WeakPolarHBondContact CD-O 3.25Å; K287-D319 WeakPolarHBondContact CB-OD1 3.45Å; K287-D319 PolarHBondContact N-OD1 2.81Å
288D95.5Very high88.2Confident94 Ų9451.6 Ų51.650%0.50325%0.252SS..Hα-helixtrans-68.8-36.1-175.5-67.2-32.9000112.6L286 K292L286-D288 PolarHBondContact O-N 3.07Å; D288-K292 PolarHBondContact O-N 3.32Å
289H95.4Very high89.3Confident29 Ų2952 Ų5213%0.13425%0.254CS..Hα-helixtrans-63.7-46.8173.5-56.491.8000111.1F14 L17 I18 E21 K285 L286 K287 R291 K292 L293F14-H289 HydrophobicContact CE2-CB 4.2Å; L17-H289 HydrophobicContact CD2-CB 4.02Å; L17-H289 WeakPolarHBondContact CD2-O 3.32Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.41Å; E21-H289 IonicContact OE1-CD2 2.72Å; E21-H289 PolarHBondContact OE1-CD2 3.33Å; E21-H289 IonicContact OE2-CD2 2.62Å; E21-H289 PolarHBondContact OE2-CD2 2.62Å; E21-H289 VanDerWaalsContact OE2-CD2 3.26Å; E21-H289 IonicContact OE2-NE2 3.64Å; E21-H289 PolarHBondContact OE2-NE2 2.69Å; K285-H289 PolarHBondContact O-CE1 3.04Å; K285-H289 PolarHBondContact O-ND1 3.05Å; L286-H289 WeakPolarHBondContact O-CB 3.26Å; L286-H289 PolarHBondContact O-N 3.21Å; L286-H289 VanDerWaalsContact O-N 3.15Å; K287-H289 PolarHBondContact O-N 2.71Å; H289-R291 VanDerWaalsContact C-N 3.34Å; H289-R291 PolarHBondContact O-N 2.94Å; H289-K292 WeakPolarHBondContact O-CB 3.41Å; H289-K292 PolarHBondContact O-N 3.19Å; H289-K292 VanDerWaalsContact O-N 3.15Å; H289-L293 PolarHBondContact O-N 2.66Å
290L97.5Very high90.6Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-68.1-32.9-178.6-67171.6000112L40 L286 K287 K292 L293 G294 I295 F299 V320L40-L290 HydrophobicContact CD1-CD2 3.91Å; L40-L290 HydrophobicContact CD2-CD1 3.72Å; L40-L290 HydrophobicContact CD2-CD2 3.88Å; L40-L290 HydrophobicContact CD2-CG 4.44Å; L40-L290 HydrophobicContact CG-CD2 4.44Å; L286-L290 HydrophobicContact CB-CD1 3.66Å; L286-L290 HydrophobicContact CB-CG 3.98Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 WeakPolarHBondContact O-CG 3.4Å; L286-L290 PolarHBondContact O-N 3.22Å; K287-L290 PolarHBondContact O-N 3.14Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 2.77Å; L290-L293 HydrophobicContact CD2-CD1 4.36Å; L290-L293 WeakPolarHBondContact O-CA 2.95Å; L290-L293 WeakPolarHBondContact O-CB 2.82Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-L293 VanDerWaalsContact O-N 3.1Å; L290-G294 PolarHBondContact O-N 3.16Å; L290-I295 HydrophobicContact CB-CB 4.45Å; L290-I295 HydrophobicContact CB-CD1 4.16Å; L290-I295 HydrophobicContact CD2-CD1 4.11Å; L290-I295 WeakPolarHBondContact O-CB 3.2Å; L290-I295 PolarHBondContact O-N 3.48Å; L290-F299 HydrophobicContact CB-CE2 3.71Å; L290-F299 HydrophobicContact CB-CZ 3.81Å; L290-F299 HydrophobicContact CD1-CE2 4.44Å; L290-F299 HydrophobicContact CD1-CZ 3.69Å; L290-F299 HydrophobicContact CG-CZ 4.41Å; L290-V320 HydrophobicContact CD1-CB 4.17Å; L290-V320 HydrophobicContact CD1-CG2 3.99Å
291R97.7Very high92.3Very high115 Ų11552 Ų5243%0.43427%0.269SS..Hα-helixtrans-60.9-40.3170.3-74.2-178.472.1-167.65112.6K287 H289 L293 G294 I295 F299K287-R291 VanDerWaalsContact O-CG 3.31Å; K287-R291 WeakPolarHBondContact O-CG 3.43Å; K287-R291 PolarHBondContact O-N 3.46Å; H289-R291 VanDerWaalsContact C-N 3.34Å; H289-R291 PolarHBondContact O-N 2.94Å; R291-L293 PolarHBondContact O-N 3.31Å; R291-G294 WeakPolarHBondContact O-CA 3.2Å; R291-G294 PolarHBondContact O-N 3.1Å; R291-I295 VanDerWaalsContact CA-O 3.27Å; R291-I295 WeakPolarHBondContact CA-O 3.29Å; R291-I295 VanDerWaalsContact CG-O 3.3Å; R291-I295 WeakPolarHBondContact CG-O 3.48Å; R291-F299 HydrophobicContact CG-CD2 3.83Å; R291-F299 HydrophobicContact CG-CE2 4.4Å
292K96.8Very high93.7Very high116 Ų11657 Ų5750%0.50428%0.281SS..Hα-helixtrans-67.6-24.3174.5-68168.3-174.9172.20112.8L17 E21 D288 H289 L290 G294L17-K292 HydrophobicContact CD1-CB 3.84Å; L17-K292 HydrophobicContact CD1-CD 3.94Å; L17-K292 HydrophobicContact CD2-CB 4.14Å; E21-K292 WeakPolarHBondContact OE1-CD 2.97Å; E21-K292 WeakPolarHBondContact OE1-CE 3.37Å; E21-K292 IonicContact OE1-NZ 3.98Å; E21-K292 PolarHBondContact OE1-NZ 2.95Å; E21-K292 IonicContact OE2-NZ 3.99Å; E21-K292 PolarHBondContact OE2-NZ 3.39Å; D288-K292 PolarHBondContact O-N 3.32Å; H289-K292 WeakPolarHBondContact O-CB 3.41Å; H289-K292 PolarHBondContact O-N 3.19Å; H289-K292 VanDerWaalsContact O-N 3.15Å; L290-K292 VanDerWaalsContact C-N 3.33Å; L290-K292 PolarHBondContact O-N 2.77Å; K292-G294 PolarHBondContact O-N 2.79Å
293L96.3Very high95Very high9 Ų948.4 Ų48.45%0.04726%0.255CS..THydrogen-bonded Turntrans-76.3-10.4168.8-67.2-171.9000113.9F10 R13 F14 L17 A58 H289 L290 R291F10-L293 HydrophobicContact CD2-CD1 4.41Å; F10-L293 HydrophobicContact CE2-CD1 3.76Å; R13-L293 HydrophobicContact CG-CD2 4.02Å; R13-L293 PolarHBondContact NH2-O 2.8Å; F14-L293 HydrophobicContact CB-CD1 4.43Å; F14-L293 HydrophobicContact CD2-CD1 3.85Å; L17-L293 HydrophobicContact CD2-CD2 3.97Å; L17-L293 HydrophobicContact CD2-CG 3.89Å; A58-L293 HydrophobicContact CB-CB 4.24Å; H289-L293 PolarHBondContact O-N 2.66Å; L290-L293 HydrophobicContact CD2-CD1 4.36Å; L290-L293 WeakPolarHBondContact O-CA 2.95Å; L290-L293 WeakPolarHBondContact O-CB 2.82Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-L293 VanDerWaalsContact O-N 3.1Å; R291-L293 PolarHBondContact O-N 3.31Å
294G97.4Very high95.6Very high27 Ų2748.4 Ų48.428%0.27826%0.255SS..THydrogen-bonded Turntrans107.46.8177.200000114.7E54 L290 R291 K292 N296E54-G294 WeakPolarHBondContact CB-O 3.33Å; E54-G294 VanDerWaalsContact CD-O 3.26Å; E54-G294 WeakPolarHBondContact CG-O 3.47Å; L290-G294 PolarHBondContact O-N 3.16Å; R291-G294 WeakPolarHBondContact O-CA 3.2Å; R291-G294 PolarHBondContact O-N 3.1Å; K292-G294 PolarHBondContact O-N 2.79Å; G294-N296 PolarHBondContact O-N 2.78Å
295I97.8Very high96Very high0 Ų048.2 Ų48.20%025%0.254CS..  trans-88.892.4176-54168.6000108L40 M55 A58 L290 R291 A298 F299L40-I295 HydrophobicContact CD1-CD1 4.44Å; L40-I295 HydrophobicContact CD2-CD1 4.19Å; M55-I295 HydrophobicContact CE-CD1 4.4Å; M55-I295 HydrophobicContact SD-CB 4.47Å; M55-I295 HydrophobicContact SD-CD1 3.74Å; M55-I295 HydrophobicContact SD-CG1 4.03Å; M55-I295 HydrophobicContact SD-CG2 3.58Å; M55-I295 VanDerWaalsContact SD-CG2 3.58Å; A58-I295 HydrophobicContact CB-CD1 3.54Å; A58-I295 HydrophobicContact CB-CG1 3.34Å; L290-I295 HydrophobicContact CB-CB 4.45Å; L290-I295 HydrophobicContact CB-CD1 4.16Å; L290-I295 HydrophobicContact CD2-CD1 4.11Å; L290-I295 WeakPolarHBondContact O-CB 3.2Å; L290-I295 PolarHBondContact O-N 3.48Å; R291-I295 VanDerWaalsContact CA-O 3.27Å; R291-I295 WeakPolarHBondContact CA-O 3.29Å; R291-I295 VanDerWaalsContact CG-O 3.3Å; R291-I295 WeakPolarHBondContact CG-O 3.48Å; I295-A298 HydrophobicContact CG2-CB 3.52Å; I295-F299 HydrophobicContact CB-CE2 4.04Å; I295-F299 HydrophobicContact CG2-CD2 4.17Å; I295-F299 HydrophobicContact CG2-CE2 3.62Å; I295-F299 HydrophobicContact CG2-CZ 4.44Å; I295-F299 WeakPolarHBondContact O-CD2 3.43Å; I295-F299 WeakPolarHBondContact O-CE2 3.2Å
296N97.9Very high96.2Very high61 Ų6144.6 Ų44.633%0.32624%0.239SC..  trans-105.1-48.5-177.5-67.4-69.7000112E54 G294 A298 F299E54-N296 PolarHBondContact OE2-N 3.09Å; G294-N296 PolarHBondContact O-N 2.78Å; N296-A298 VanDerWaalsContact C-N 3.3Å; N296-A298 PolarHBondContact O-N 3.3Å; N296-F299 PolarHBondContact O-N 3.46Å; N296-F299 VanDerWaalsContact O-N 3.11Å
297D97.6Very high96.2Very high27 Ų2746.6 Ų46.614%0.14425%0.253CS..G310 helixtrans-63.7-39.1-173.1-78-8.2000111.4N50 T51 E54 F299 C300 S303 A304N50-D297 PolarHBondContact ND2-OD2 2.98Å; T51-D297 WeakPolarHBondContact OG1-CB 3.36Å; E54-D297 PolarHBondContact OE2-N 2.99Å; D297-F299 PolarHBondContact O-N 3.44Å; D297-C300 PolarHBondContact O-N 2.74Å; D297-S303 WeakPolarHBondContact OD1-CB 3.5Å; D297-S303 PolarHBondContact OD1-OG 2.91Å; D297-A304 WeakPolarHBondContact O-CA 3.48Å; D297-A304 WeakPolarHBondContact O-CB 3.29Å; D297-A304 PolarHBondContact O-N 3.46Å
298A97.4Very high96.1Very high1 Ų146.8 Ų46.81%0.00826%0.256CS..G310 helixtrans-53.7-26.2177.900000113.4V43 T51 I295 N296 F306 I317V43-A298 HydrophobicContact CG1-CB 4.47Å; T51-A298 HydrophobicContact CG2-CB 3.93Å; I295-A298 HydrophobicContact CG2-CB 3.52Å; N296-A298 VanDerWaalsContact C-N 3.3Å; N296-A298 PolarHBondContact O-N 3.3Å; A298-F306 HydrophobicContact CB-CE2 4.33Å; A298-F306 HydrophobicContact CB-CZ 3.83Å; A298-F306 WeakPolarHBondContact O-CE2 3.49Å; A298-I317 WeakPolarHBondContact O-CB 3.24Å; A298-I317 PolarHBondContact O-N 3.16Å
299F96.9Very high96.2Very high11 Ų1142.3 Ų42.35%0.04823%0.232CC..G310 helixtrans-106.67.9-177.9-54.6-75.3000114.4K287 L290 R291 I295 N296 D297 I317 V320K287-F299 HydrophobicContact CB-CD1 3.96Å; K287-F299 HydrophobicContact CB-CE1 4Å; K287-F299 HydrophobicContact CB-CG 4.47Å; K287-F299 HydrophobicContact CD-CB 3.97Å; K287-F299 HydrophobicContact CD-CD1 3.88Å; K287-F299 HydrophobicContact CD-CG 4.09Å; K287-F299 HydrophobicContact CG-CB 4.1Å; K287-F299 HydrophobicContact CG-CD1 3.71Å; K287-F299 HydrophobicContact CG-CD2 4.35Å; K287-F299 HydrophobicContact CG-CE1 4.23Å; K287-F299 HydrophobicContact CG-CG 3.8Å; K287-F299 PolarHBondContact NZ-O 2.96Å; L290-F299 HydrophobicContact CB-CE2 3.71Å; L290-F299 HydrophobicContact CB-CZ 3.81Å; L290-F299 HydrophobicContact CD1-CE2 4.44Å; L290-F299 HydrophobicContact CD1-CZ 3.69Å; L290-F299 HydrophobicContact CG-CZ 4.41Å; R291-F299 HydrophobicContact CG-CD2 3.83Å; R291-F299 HydrophobicContact CG-CE2 4.4Å; I295-F299 HydrophobicContact CB-CE2 4.04Å; I295-F299 HydrophobicContact CG2-CD2 4.17Å; I295-F299 HydrophobicContact CG2-CE2 3.62Å; I295-F299 HydrophobicContact CG2-CZ 4.44Å; I295-F299 WeakPolarHBondContact O-CD2 3.43Å; I295-F299 WeakPolarHBondContact O-CE2 3.2Å; N296-F299 PolarHBondContact O-N 3.46Å; N296-F299 VanDerWaalsContact O-N 3.11Å; D297-F299 PolarHBondContact O-N 3.44Å; F299-I317 WeakPolarHBondContact CA-O 3.22Å; F299-I317 HydrophobicContact CD1-CB 4.15Å; F299-I317 HydrophobicContact CD1-CG2 4.18Å; F299-I317 VanDerWaalsContact CD1-O 3.28Å; F299-I317 WeakPolarHBondContact CD1-O 2.88Å; F299-I317 HydrophobicContact CE1-CB 4.16Å; F299-I317 HydrophobicContact CE1-CG2 3.84Å; F299-V320 HydrophobicContact CE1-CG2 4.37Å
300C95Very high96.1Very high46 Ų4641.2 Ų41.231%0.31123%0.228SC..  trans-118113.3-175.7-178.90000110.5D297 L302 S303 A304D297-C300 PolarHBondContact O-N 2.74Å; C300-L302 PolarHBondContact O-N 2.83Å; C300-S303 VanDerWaalsContact CB-OG 3.3Å; C300-S303 WeakPolarHBondContact CB-OG 3.4Å; C300-S303 PolarHBondContact O-N 2.9Å; C300-S303 VanDerWaalsContact O-N 3.15Å; C300-S303 PolarHBondContact SG-OG 2.79Å; C300-A304 WeakPolarHBondContact O-CB 3.43Å; C300-A304 PolarHBondContact O-N 3.44Å
301P92Very high95.8Very high69 Ų6947.2 Ų47.245%0.44826%0.26SS..THydrogen-bonded Turntrans-56.5-24.5-177.8-2531.1000115.6
302L92.5Very high95.2Very high163 Ų16344 Ų4485%0.85326%0.255SS*.THydrogen-bonded Turntrans-89.8-20.3-176.9-65.2176.6000113.9C300C300-L302 PolarHBondContact O-N 2.83Å
303S95.3Very high94Very high46 Ų4646.2 Ų46.232%0.32227%0.273SS..THydrogen-bonded Turntrans-121.7-13.7-177.661.80000114D297 C300 D305D297-S303 WeakPolarHBondContact OD1-CB 3.5Å; D297-S303 PolarHBondContact OD1-OG 2.91Å; C300-S303 VanDerWaalsContact CB-OG 3.3Å; C300-S303 WeakPolarHBondContact CB-OG 3.4Å; C300-S303 PolarHBondContact O-N 2.9Å; C300-S303 VanDerWaalsContact O-N 3.15Å; C300-S303 PolarHBondContact SG-OG 2.79Å; S303-D305 PolarHBondContact O-N 3.27Å
304A96.7Very high93.2Very high21 Ų2155.3 Ų55.317%0.17431%0.307CS..  trans-58.6123.3174.500000111.4D297 C300 F306 M315 C316D297-A304 WeakPolarHBondContact O-CA 3.48Å; D297-A304 WeakPolarHBondContact O-CB 3.29Å; D297-A304 PolarHBondContact O-N 3.46Å; C300-A304 WeakPolarHBondContact O-CB 3.43Å; C300-A304 PolarHBondContact O-N 3.44Å; A304-F306 HydrophobicContact CB-CD2 3.87Å; A304-F306 HydrophobicContact CB-CE2 3.85Å; A304-M315 WeakPolarHBondContact CB-O 3.42Å; A304-C316 HydrophobicContact CB-CB 3.67Å
305D96.1Very high92.8Very high38 Ų3854.5 Ų54.520%0.20330%0.296CS..  trans-109.496.2169-169.5-20.6000109.9S47 E48 N49 T51 S303 S307S47-D305 WeakPolarHBondContact CA-O 3.35Å; E48-D305 PolarHBondContact N-O 3.21Å; N49-D305 PolarHBondContact ND2-OD2 2.84Å; T51-D305 PolarHBondContact OG1-N 3Å; S303-D305 PolarHBondContact O-N 3.27Å; D305-S307 WeakPolarHBondContact OD1-CB 3.43Å; D305-S307 PolarHBondContact OD1-N 3.42Å; D305-S307 PolarHBondContact OD1-OG 2.88Å
306F96.7Very high92.7Very high7 Ų754.9 Ų54.93%0.03130%0.298CS..  trans-11036.5171-69.8-70.1000111.9V43 G46 T51 A298 A304 N308 V309 S310 M315 I317V43-F306 HydrophobicContact CG1-CE1 3.72Å; V43-F306 HydrophobicContact CG1-CZ 3.86Å; G46-F306 CarbonylContact O-C 3.51Å; G46-F306 VanDerWaalsContact O-CA 3.29Å; G46-F306 WeakPolarHBondContact O-CA 3.45Å; T51-F306 HydrophobicContact CG2-CE1 4.33Å; T51-F306 HydrophobicContact CG2-CE2 4.44Å; T51-F306 HydrophobicContact CG2-CZ 3.97Å; A298-F306 HydrophobicContact CB-CE2 4.33Å; A298-F306 HydrophobicContact CB-CZ 3.83Å; A298-F306 WeakPolarHBondContact O-CE2 3.49Å; A304-F306 HydrophobicContact CB-CD2 3.87Å; A304-F306 HydrophobicContact CB-CE2 3.85Å; F306-N308 PolarHBondContact O-N 2.83Å; F306-N308 VanDerWaalsContact O-N 3.14Å; F306-V309 HydrophobicContact CB-CB 4.18Å; F306-V309 HydrophobicContact CB-CG2 3.92Å; F306-V309 HydrophobicContact CD1-CG2 4.04Å; F306-V309 HydrophobicContact CG-CG2 4.37Å; F306-V309 WeakPolarHBondContact O-CA 3.41Å; F306-V309 WeakPolarHBondContact O-CB 3.43Å; F306-V309 PolarHBondContact O-N 3.21Å; F306-S310 PolarHBondContact O-N 2.92Å; F306-S310 VanDerWaalsContact O-N 3.08Å; F306-M315 HydrophobicContact CB-CG 4.48Å; F306-M315 HydrophobicContact CB-SD 4.5Å; F306-M315 WeakPolarHBondContact CD2-O 3.35Å; F306-I317 HydrophobicContact CE1-CD1 4.42Å; F306-I317 HydrophobicContact CE1-CG1 4.22Å; F306-I317 HydrophobicContact CE2-CD1 4.46Å; F306-I317 HydrophobicContact CE2-CG1 3.93Å; F306-I317 HydrophobicContact CZ-CD1 4.15Å; F306-I317 HydrophobicContact CZ-CG1 3.55Å
307S95.5Very high92.7Very high42 Ų4252 Ų5229%0.29428%0.282SS..THydrogen-bonded Turntrans-57.8-26.2179.355.20000112.8K105 D305 V309 S310K105-S307 VanDerWaalsContact CE-O 3.23Å; K105-S307 WeakPolarHBondContact CE-O 3.33Å; K105-S307 PolarHBondContact NZ-O 2.79Å; D305-S307 WeakPolarHBondContact OD1-CB 3.43Å; D305-S307 PolarHBondContact OD1-N 3.42Å; D305-S307 PolarHBondContact OD1-OG 2.88Å; S307-V309 VanDerWaalsContact C-N 3.3Å; S307-V309 PolarHBondContact O-N 2.81Å; S307-S310 WeakPolarHBondContact CA-O 3.48Å
308N95.1Very high92.6Very high60 Ų6051.7 Ų51.732%0.32128%0.283SS..THydrogen-bonded Turntrans-72.8-21172.4-68.6-37000113.4G46 S47 E48 F108 F306G46-N308 WeakPolarHBondContact O-CB 3.49Å; S47-N308 PolarHBondContact O-ND2 2.95Å; E48-N308 PolarHBondContact OE2-ND2 3.26Å; F108-N308 WeakPolarHBondContact CB-O 3.18Å; F306-N308 PolarHBondContact O-N 2.83Å; F306-N308 VanDerWaalsContact O-N 3.14Å
309V96.4Very high92.5Very high0 Ų052.7 Ų52.70%029%0.288CS..THydrogen-bonded Turntrans-85.1-51174.5-171.30000111.4G46 I104 K105 F108 F306 S307 M315G46-V309 VanDerWaalsContact CA-CG2 3.44Å; I104-V309 CarbonylContact C-O 3.49Å; I104-V309 WeakPolarHBondContact CA-O 3.5Å; I104-V309 HydrophobicContact CG2-CG1 4.28Å; K105-V309 PolarHBondContact N-O 2.8Å; F108-V309 HydrophobicContact CD1-CB 4.35Å; F108-V309 HydrophobicContact CD1-CG1 3.77Å; F108-V309 HydrophobicContact CD1-CG2 4.26Å; F108-V309 HydrophobicContact CD2-CG2 3.93Å; F108-V309 HydrophobicContact CE1-CB 4.41Å; F108-V309 HydrophobicContact CE1-CG1 3.73Å; F108-V309 HydrophobicContact CE1-CG2 4.02Å; F108-V309 HydrophobicContact CE2-CG2 3.69Å; F108-V309 HydrophobicContact CG-CB 4.43Å; F108-V309 HydrophobicContact CG-CG1 4.32Å; F108-V309 HydrophobicContact CG-CG2 4.21Å; F108-V309 HydrophobicContact CZ-CG1 4.28Å; F108-V309 HydrophobicContact CZ-CG2 3.72Å; F306-V309 HydrophobicContact CB-CB 4.18Å; F306-V309 HydrophobicContact CB-CG2 3.92Å; F306-V309 HydrophobicContact CD1-CG2 4.04Å; F306-V309 HydrophobicContact CG-CG2 4.37Å; F306-V309 WeakPolarHBondContact O-CA 3.41Å; F306-V309 WeakPolarHBondContact O-CB 3.43Å; F306-V309 PolarHBondContact O-N 3.21Å; S307-V309 VanDerWaalsContact C-N 3.3Å; S307-V309 PolarHBondContact O-N 2.81Å; V309-M315 HydrophobicContact CB-CE 4.05Å; V309-M315 HydrophobicContact CB-SD 4.08Å; V309-M315 HydrophobicContact CG1-CE 3.49Å; V309-M315 VanDerWaalsContact CG1-CE 3.49Å; V309-M315 HydrophobicContact CG1-SD 3.77Å; V309-M315 HydrophobicContact CG2-CE 4.36Å
310S94.2Very high92.5Very high6 Ų652.1 Ų52.14%0.04229%0.285CS..  trans-154.7156.1-174.7-168.90000111.2R103 F306 S307 S312R103-S310 VanDerWaalsContact O-CB 3.29Å; R103-S310 WeakPolarHBondContact O-CB 3.4Å; R103-S310 PolarHBondContact O-OG 2.64Å; F306-S310 PolarHBondContact O-N 2.92Å; F306-S310 VanDerWaalsContact O-N 3.08Å; S307-S310 WeakPolarHBondContact CA-O 3.48Å; S310-S312 PolarHBondContact O-N 2.86Å; S310-S312 PolarHBondContact OG-N 3.04Å; S310-S312 PolarHBondContact OG-OG 3.4Å
311N91.5Very high92.5Very high127 Ų12750.2 Ų50.268%0.67927%0.272SS*.  trans-87.118.3169.1-62-20000112K105K105-N311 WeakPolarHBondContact CE-OD1 3.49Å; K105-N311 PolarHBondContact NZ-OD1 3.01Å
312S84.1Confident92.6Very high47 Ų4747 Ų4733%0.32925%0.251SS..  trans-81.7125.2-177.5-550000109.9S310 R314S310-S312 PolarHBondContact O-N 2.86Å; S310-S312 PolarHBondContact OG-N 3.04Å; S310-S312 PolarHBondContact OG-OG 3.4Å; S312-R314 PolarHBondContact O-N 2.93Å
313D72.7Confident92.6Very high163 Ų16340.4 Ų40.487%0.87222%0.215SC*.THydrogen-bonded Turntrans-67.94.7-166.2-65.3-28.6000116.5
314R78.1Confident92.2Very high200 Ų20038.2 Ų38.276%0.75520%0.2SC*.THydrogen-bonded Turntrans-148.828.6-174.7-63-171.6-178.2173.10.9114.8S312S312-R314 PolarHBondContact O-N 2.93Å
315M90.3Very high91.7Very high10 Ų1037.3 Ų37.35%0.04919%0.192CC..  trans-83.8126.3178.9-179.2173.3170.500111.2F96 V98 V102 A163 A304 F306 V309F96-M315 HydrophobicContact CE1-CE 3.69Å; F96-M315 HydrophobicContact CZ-CE 3.59Å; V98-M315 HydrophobicContact CG2-CE 4.01Å; V98-M315 HydrophobicContact CG2-SD 4.36Å; V102-M315 HydrophobicContact CG1-SD 3.85Å; A163-M315 HydrophobicContact CB-CE 3.9Å; A304-M315 WeakPolarHBondContact CB-O 3.42Å; F306-M315 HydrophobicContact CB-CG 4.48Å; F306-M315 HydrophobicContact CB-SD 4.5Å; F306-M315 WeakPolarHBondContact CD2-O 3.35Å; V309-M315 HydrophobicContact CB-CE 4.05Å; V309-M315 HydrophobicContact CB-SD 4.08Å; V309-M315 HydrophobicContact CG1-CE 3.49Å; V309-M315 VanDerWaalsContact CG1-CE 3.49Å; V309-M315 HydrophobicContact CG1-SD 3.77Å; V309-M315 HydrophobicContact CG2-CE 4.36Å
316C94.8Very high91.1Very high7 Ų735.5 Ų35.55%0.04718%0.183CC..  trans-129.4172.6164.867.60000111.4S162 A304S162-C316 PolarHBondContact OG-N 3.1Å; S162-C316 PolarHBondContact OG-O 2.95Å; S162-C316 PolarHBondContact OG-SG 3.1Å; A304-C316 HydrophobicContact CB-CB 3.67Å
317I96.9Very high90.3Very high0 Ų038.6 Ų38.60%020%0.197CC..  trans-80.6121.8163.1-55.8-54.5000107.7V43 F96 A163 V165 A298 F299 F306 D319 V320V43-I317 HydrophobicContact CG1-CG1 4.02Å; V43-I317 HydrophobicContact CG2-CD1 4.29Å; V43-I317 HydrophobicContact CG2-CG1 4.12Å; F96-I317 HydrophobicContact CE2-CD1 3.71Å; F96-I317 HydrophobicContact CZ-CD1 3.7Å; A163-I317 HydrophobicContact CB-CD1 4.12Å; V165-I317 HydrophobicContact CG2-CD1 4.05Å; V165-I317 HydrophobicContact CG2-CG2 4.25Å; A298-I317 WeakPolarHBondContact O-CB 3.24Å; A298-I317 PolarHBondContact O-N 3.16Å; F299-I317 WeakPolarHBondContact CA-O 3.22Å; F299-I317 HydrophobicContact CD1-CB 4.15Å; F299-I317 HydrophobicContact CD1-CG2 4.18Å; F299-I317 VanDerWaalsContact CD1-O 3.28Å; F299-I317 WeakPolarHBondContact CD1-O 2.88Å; F299-I317 HydrophobicContact CE1-CB 4.16Å; F299-I317 HydrophobicContact CE1-CG2 3.84Å; F306-I317 HydrophobicContact CE1-CD1 4.42Å; F306-I317 HydrophobicContact CE1-CG1 4.22Å; F306-I317 HydrophobicContact CE2-CD1 4.46Å; F306-I317 HydrophobicContact CE2-CG1 3.93Å; F306-I317 HydrophobicContact CZ-CD1 4.15Å; F306-I317 HydrophobicContact CZ-CG1 3.55Å; I317-D319 WeakPolarHBondContact CG2-O 3.45Å; I317-V320 HydrophobicContact CG2-CG2 4.07Å
318S95.7Very high89.6Confident22 Ų2236.7 Ų36.715%0.15418%0.184CC..  trans-76.7-42.1176.7-56.40000111.2T161 S162 A163 K287T161-S318 WeakPolarHBondContact CA-OG 3.42Å; S162-S318 PolarHBondContact N-OG 3.22Å; A163-S318 VanDerWaalsContact O-CB 3.31Å; A163-S318 WeakPolarHBondContact O-CB 3.33Å; A163-S318 PolarHBondContact O-N 2.72Å; A163-S318 PolarHBondContact O-OG 2.75Å; K287-S318 WeakPolarHBondContact CD-O 3.25Å
319D95.9Very high89Confident21 Ų2136 Ų3611%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-161.4163171-142.3-36.2000111.7V165 K285 L286 K287 I317 M321V165-D319 PolarHBondContact N-O 3.18Å; V165-D319 VanDerWaalsContact N-O 3.14Å; K285-D319 VanDerWaalsContact CB-OD2 3.27Å; K285-D319 WeakPolarHBondContact CB-OD2 3.33Å; K285-D319 WeakPolarHBondContact CD-OD2 3.5Å; K285-D319 WeakPolarHBondContact CG-OD2 3.48Å; L286-D319 PolarHBondContact N-OD1 3.3Å; L286-D319 VanDerWaalsContact N-OD1 3.11Å; K287-D319 WeakPolarHBondContact CB-OD1 3.45Å; K287-D319 PolarHBondContact N-OD1 2.81Å; I317-D319 WeakPolarHBondContact CG2-O 3.45Å; D319-M321 HydrophobicContact CB-SD 4.06Å
320V96.8Very high88.1Confident0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-112.4115.4165-176.60000107.3A39 V165 L286 L290 F299 I317A39-V320 HydrophobicContact CB-CG1 4.1Å; V165-V320 HydrophobicContact CB-CG1 4.27Å; V165-V320 HydrophobicContact CB-CG2 4.17Å; V165-V320 HydrophobicContact CG1-CG1 4.46Å; V165-V320 CarbonylContact O-C 3.59Å; V165-V320 WeakPolarHBondContact O-CA 3.43Å; L286-V320 HydrophobicContact CB-CB 4.13Å; L286-V320 VanDerWaalsContact CB-O 3.28Å; L286-V320 WeakPolarHBondContact CB-O 3.28Å; L286-V320 HydrophobicContact CD1-CB 4.43Å; L286-V320 HydrophobicContact CD1-CG1 4.09Å; L286-V320 WeakPolarHBondContact CG-O 3.48Å; L286-V320 PolarHBondContact N-O 2.97Å; L290-V320 HydrophobicContact CD1-CB 4.17Å; L290-V320 HydrophobicContact CD1-CG2 3.99Å; F299-V320 HydrophobicContact CE1-CG2 4.37Å; I317-V320 HydrophobicContact CG2-CG2 4.07Å
321M95.4Very high86.8Confident6 Ų639.4 Ų39.43%0.0319%0.194CC..EExtended strand (participates in β ladder)trans-98.5118.9-173.7-60.1-62.7-5500109.9L151 I152 V164 V165 A167 A283 K285 D319L151-M321 HydrophobicContact CD1-CB 4.12Å; L151-M321 HydrophobicContact CD2-CB 3.96Å; L151-M321 HydrophobicContact CG-CB 4.01Å; I152-M321 HydrophobicContact CD1-CB 4.14Å; I152-M321 HydrophobicContact CD1-CE 4.06Å; I152-M321 HydrophobicContact CD1-CG 3.54Å; I152-M321 HydrophobicContact CD1-SD 4.28Å; V164-M321 HydrophobicContact CG1-CG 3.75Å; V165-M321 PolarHBondContact O-N 3.24Å; A167-M321 PolarHBondContact N-O 2.72Å; A283-M321 HydrophobicContact CB-CE 3.95Å; K285-M321 HydrophobicContact CG-CE 3.91Å; K285-M321 HydrophobicContact CG-SD 3.77Å; D319-M321 HydrophobicContact CB-SD 4.06Å
322H94.1Very high85.2Confident0 Ų033.8 Ų33.80%017%0.167CC..EExtended strand (participates in β ladder)trans-114.4138.8178.6-172.859.5000111.1S32 I36 A167 E280 A283 L284 L286 T324S32-H322 PolarHBondContact N-NE2 3.09Å; I36-H322 HydrophobicContact CD1-CB 4.49Å; I36-H322 HydrophobicContact CG1-CB 4.31Å; A167-H322 WeakPolarHBondContact O-CA 3.37Å; A167-H322 PolarHBondContact O-ND1 2.87Å; E280-H322 IonicContact OE1-CD2 2.8Å; E280-H322 PolarHBondContact OE1-CD2 3.31Å; E280-H322 IonicContact OE1-NE2 2.83Å; A283-H322 CarbonylContact C-O 3.51Å; A283-H322 WeakPolarHBondContact CA-O 3.17Å; L284-H322 HydrophobicContact CB-CB 4.31Å; L284-H322 PolarHBondContact N-O 2.66Å; L284-H322 PolarHBondContact O-N 2.8Å; L286-H322 HydrophobicContact CD1-CB 3.87Å; L286-H322 HydrophobicContact CD2-CB 4.44Å; L286-H322 HydrophobicContact CG-CB 4.14Å; H322-T324 WeakPolarHBondContact CE1-CG2 3.1Å; H322-T324 WeakPolarHBondContact NE2-CG2 3.42Å
323K91.5Very high82.6Confident25 Ų2533.5 Ų33.511%0.10917%0.167CC..EExtended strand (participates in β ladder)trans-152.8134.2169.8-169.5154.2176.2166.70110.6I148 E150 L151 T168 T169 E280 G281 A283I148-K323 HydrophobicContact CD1-CB 4.24Å; I148-K323 HydrophobicContact CD1-CG 4.13Å; I148-K323 WeakPolarHBondContact CD1-O 3.45Å; I148-K323 HydrophobicContact CG2-CB 4.37Å; I148-K323 HydrophobicContact CG2-CD 3.81Å; I148-K323 HydrophobicContact CG2-CG 4.06Å; E150-K323 PolarHBondContact O-NZ 3.39Å; L151-K323 HydrophobicContact CD1-CB 3.52Å; T168-K323 WeakPolarHBondContact CA-O 3.5Å; T169-K323 PolarHBondContact N-O 3.08Å; T169-K323 VanDerWaalsContact N-O 3.09Å; E280-K323 HydrophobicContact CB-CG 4.25Å; E280-K323 WeakPolarHBondContact O-CE 3.46Å; E280-K323 VanDerWaalsContact OE2-CA 3.32Å; E280-K323 WeakPolarHBondContact OE2-CA 3.34Å; G281-K323 PolarHBondContact O-NZ 3.35Å; A283-K323 HydrophobicContact CB-CB 4.23Å; A283-K323 HydrophobicContact CB-CD 4.02Å
324T88.7Confident80.5Confident0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-127.8153.7178.177.30000112.7F30 T169 E280 H322 F377F30-T324 WeakPolarHBondContact CD1-OG1 3.45Å; F30-T324 PolarHBondContact O-OG1 3.46Å; T169-T324 WeakPolarHBondContact O-CA 3.49Å; T169-T324 WeakPolarHBondContact OG1-CG2 3.45Å; E280-T324 PolarHBondContact N-O 3.3Å; E280-T324 PolarHBondContact OE1-OG1 2.75Å; H322-T324 WeakPolarHBondContact CE1-CG2 3.1Å; H322-T324 WeakPolarHBondContact NE2-CG2 3.42Å; T324-F377 HydrophobicContact CG2-CD1 4.5Å; T324-F377 HydrophobicContact CG2-CE1 4.38Å
325I84.8Confident78Confident2 Ų224.7 Ų24.71%0.0115%0.148CC..EExtended strand (participates in β ladder)trans-132.5132.9171.3-65.7177.9000109.4Q147 I148 T169 Y170 F171 R279Q147-I325 VanDerWaalsContact C-CD1 3.42Å; Q147-I325 HydrophobicContact CB-CD1 3.93Å; Q147-I325 WeakPolarHBondContact O-CD1 3.08Å; I148-I325 HydrophobicContact CB-CD1 4.5Å; I148-I325 HydrophobicContact CD1-CD1 4.46Å; I148-I325 HydrophobicContact CD1-CG1 4.4Å; I148-I325 HydrophobicContact CG1-CD1 3.49Å; I148-I325 VanDerWaalsContact CG1-CD1 3.49Å; I148-I325 HydrophobicContact CG1-CG1 3.92Å; T169-I325 PolarHBondContact O-N 2.91Å; Y170-I325 HydrophobicContact CD2-CB 4.2Å; Y170-I325 HydrophobicContact CD2-CG2 4.23Å; Y170-I325 HydrophobicContact CE2-CG2 4.43Å; F171-I325 PolarHBondContact N-O 3.19Å; R279-I325 HydrophobicContact CG-CG1 4.44Å
326F83.8Confident74.9Confident1 Ų127 Ų270%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-138.9136.3171.6174.2-121.1000111F30 F171 F225 L232 F276 L278 V328 I366 I368F30-F326 HydrophobicContact CD1-CB 3.66Å; F30-F326 HydrophobicContact CE1-CB 3.11Å; F30-F326 HydrophobicContact CE1-CD1 4.22Å; F30-F326 AromaticContact CE1-CG 3.82Å; F30-F326 HydrophobicContact CE1-CG 3.82Å; F30-F326 HydrophobicContact CE2-CB 4.38Å; F30-F326 AromaticContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CD1 3.98Å; F30-F326 HydrophobicContact CE2-CG 4.34Å; F30-F326 HydrophobicContact CG-CB 4.49Å; F30-F326 HydrophobicContact CZ-CB 3.49Å; F30-F326 VanDerWaalsContact CZ-CB 3.49Å; F30-F326 AromaticContact CZ-CD1 3.74Å; F30-F326 HydrophobicContact CZ-CD1 3.74Å; F30-F326 HydrophobicContact CZ-CD2 4.37Å; F30-F326 AromaticContact CZ-CG 3.63Å; F30-F326 HydrophobicContact CZ-CG 3.63Å; F171-F326 AromaticContact CD1-CD2 3.81Å; F171-F326 HydrophobicContact CD1-CD2 3.81Å; F171-F326 AromaticContact CD1-CE2 3.87Å; F171-F326 HydrophobicContact CD1-CE2 3.87Å; F171-F326 HydrophobicContact CE1-CE2 4.11Å; F225-F326 HydrophobicContact CZ-CE2 4.27Å; F225-F326 HydrophobicContact CZ-CZ 4.49Å; L232-F326 HydrophobicContact CD1-CE1 4.25Å; L232-F326 HydrophobicContact CD1-CZ 4.02Å; L232-F326 HydrophobicContact CD2-CZ 4.47Å; F276-F326 AromaticContact CE2-CD1 3.96Å; F276-F326 HydrophobicContact CE2-CD1 3.96Å; F276-F326 AromaticContact CE2-CE1 3.74Å; F276-F326 HydrophobicContact CE2-CE1 3.74Å; F276-F326 HydrophobicContact CZ-CE1 4.01Å; L278-F326 HydrophobicContact CD1-CD1 4.45Å; L278-F326 PolarHBondContact N-O 3.31Å; L278-F326 PolarHBondContact O-N 3.38Å; L278-F326 VanDerWaalsContact O-O 3.13Å; F326-V328 HydrophobicContact CD1-CG2 4.23Å; F326-V328 HydrophobicContact CE1-CG2 3.35Å; F326-V328 HydrophobicContact CE2-CG2 4.1Å; F326-V328 HydrophobicContact CZ-CG2 3.27Å; F326-I366 HydrophobicContact CD1-CD1 4.04Å; F326-I366 HydrophobicContact CE1-CD1 3.89Å; F326-I368 HydrophobicContact CD2-CD1 3.64Å; F326-I368 HydrophobicContact CE2-CD1 3.57Å; F326-I368 HydrophobicContact CE2-CG1 4.29Å; F326-I368 HydrophobicContact CG-CD1 4.27Å; F326-I368 HydrophobicContact CZ-CD1 4.16Å; F326-I368 HydrophobicContact CZ-CG1 4.43Å
327E80.8Confident71.6Confident71 Ų7131.8 Ų31.833%0.33221%0.209SC..EExtended strand (participates in β ladder)trans-132.2131.8-176-175.3163.9-148.700110.2K277K277-E327 HydrophobicContact CB-CG 4.39Å; K277-E327 HydrophobicContact CD-CG 4.23Å; K277-E327 WeakPolarHBondContact CD-OE1 3.42Å; K277-E327 VanDerWaalsContact CE-OE2 3.32Å; K277-E327 WeakPolarHBondContact CE-OE2 3.19Å; K277-E327 HydrophobicContact CG-CB 4.13Å; K277-E327 HydrophobicContact CG-CG 4.11Å; K277-E327 IonicContact NZ-OE1 2.84Å; K277-E327 PolarHBondContact NZ-OE1 3.45Å; K277-E327 IonicContact NZ-OE2 2.8Å; K277-E327 PolarHBondContact NZ-OE2 2.92Å
328V80.3Confident68.3Low3 Ų335.4 Ų35.42%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-118.6112.1179.4166.70000108.8W175 M202 L273 F276 F326W175-V328 HydrophobicContact CH2-CG2 4.35Å; W175-V328 HydrophobicContact CZ2-CB 4.45Å; W175-V328 HydrophobicContact CZ2-CG1 3.96Å; W175-V328 HydrophobicContact CZ2-CG2 4.16Å; M202-V328 HydrophobicContact CE-CG1 3.58Å; L273-V328 HydrophobicContact CD2-CG1 3.82Å; L273-V328 HydrophobicContact CG-CG1 4.43Å; F276-V328 HydrophobicContact CD1-CB 4.15Å; F276-V328 HydrophobicContact CD1-CG1 4.23Å; F276-V328 HydrophobicContact CD2-CB 4.4Å; F276-V328 HydrophobicContact CD2-CG2 4.4Å; F276-V328 HydrophobicContact CE1-CB 3.94Å; F276-V328 HydrophobicContact CE1-CG1 3.93Å; F276-V328 HydrophobicContact CE1-CG2 3.94Å; F276-V328 HydrophobicContact CE2-CB 4.23Å; F276-V328 HydrophobicContact CE2-CG2 3.79Å; F276-V328 HydrophobicContact CG-CB 4.38Å; F276-V328 HydrophobicContact CZ-CB 4.01Å; F276-V328 HydrophobicContact CZ-CG1 4.39Å; F276-V328 HydrophobicContact CZ-CG2 3.53Å; F276-V328 PolarHBondContact N-O 3.37Å; F276-V328 PolarHBondContact O-N 3.21Å; F326-V328 HydrophobicContact CD1-CG2 4.23Å; F326-V328 HydrophobicContact CE1-CG2 3.35Å; F326-V328 HydrophobicContact CE2-CG2 4.1Å; F326-V328 HydrophobicContact CZ-CG2 3.27Å
329D81.8Confident65.1Low45 Ų4540.2 Ų40.224%0.24127%0.268CS..  trans-134.2179.9174.672.523.1000111.1W175 K331 G332W175-D329 PolarHBondContact NE1-O 3.15Å; D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 2.98Å; D329-K331 PolarHBondContact OD1-N 3.23Å; D329-G332 VanDerWaalsContact OD1-CA 3.29Å; D329-G332 WeakPolarHBondContact OD1-CA 3.49Å; D329-G332 PolarHBondContact OD1-N 3.43Å
330E77.7Confident62Low11 Ų1142.2 Ų42.25%0.05129%0.287CS..SBendtrans-65-33.7-177.8-71.292.9157.500113.8S178 F179 E181 T184 M202 K275S178-E330 WeakPolarHBondContact CB-O 3.44Å; F179-E330 HydrophobicContact CB-CB 4.18Å; F179-E330 HydrophobicContact CB-CG 4.05Å; F179-E330 PolarHBondContact N-O 3.37Å; F179-E330 WeakPolarHBondContact O-CB 3.41Å; E181-E330 HydrophobicContact CG-CB 3.98Å; E181-E330 HydrophobicContact CG-CG 3.9Å; T184-E330 WeakPolarHBondContact CB-OE1 3.04Å; T184-E330 WeakPolarHBondContact OG1-CG 3.24Å; T184-E330 PolarHBondContact OG1-OE1 3.26Å; M202-E330 HydrophobicContact CG-CG 4.1Å; M202-E330 HydrophobicContact SD-CB 4.31Å; M202-E330 HydrophobicContact SD-CG 3.77Å; M202-E330 PolarHBondContact SD-N 2.97Å; K275-E330 WeakPolarHBondContact CE-OE1 3.2Å; K275-E330 WeakPolarHBondContact CE-OE2 3.36Å; K275-E330 IonicContact NZ-OE1 2.62Å; K275-E330 PolarHBondContact NZ-OE1 3.32Å; K275-E330 IonicContact NZ-OE2 2.66Å; K275-E330 PolarHBondContact NZ-OE2 2.74Å
331K66.8Low58.7Low67 Ų6747.8 Ų47.829%0.29132%0.321SS..SBendtrans-100.3-26-162-81.6174.7170.4149.60112.5E181 D329 A333E181-K331 WeakPolarHBondContact OE1-CD 3.35Å; E181-K331 WeakPolarHBondContact OE1-CE 3.49Å; E181-K331 IonicContact OE1-NZ 3.04Å; E181-K331 PolarHBondContact OE1-NZ 3.25Å; E181-K331 IonicContact OE2-NZ 2.64Å; E181-K331 PolarHBondContact OE2-NZ 3.07Å; D329-K331 VanDerWaalsContact C-N 3.3Å; D329-K331 PolarHBondContact O-N 2.98Å; D329-K331 PolarHBondContact OD1-N 3.23Å; K331-A333 CarbonylContact O-C 3.58Å; K331-A333 PolarHBondContact O-N 2.98Å
332G58Low55.6Low9 Ų955.4 Ų55.49%0.09336%0.357CS..SBendtrans41.428.1-151.700000113.6G173 M174 D329G173-G332 WeakPolarHBondContact O-CA 3.48Å; M174-G332 WeakPolarHBondContact CG-O 3.47Å; D329-G332 VanDerWaalsContact OD1-CA 3.29Å; D329-G332 WeakPolarHBondContact OD1-CA 3.49Å; D329-G332 PolarHBondContact OD1-N 3.43Å
333A29.9Very low52.6Low41 Ų4162.7 Ų62.734%0.33939%0.392SS..SBendtrans74.8111-161.100000118.9M174 K331M174-A333 WeakPolarHBondContact CE-O 3.34Å; K331-A333 CarbonylContact O-C 3.58Å; K331-A333 PolarHBondContact O-N 2.98Å
334V27.8Very low49.9Very low107 Ų10765 Ų6565%0.64841%0.409SS*.SBendtrans44.997.5166.3-165.10000119.6
335A26.3Very low47.4Very low70 Ų7076.1 Ų76.158%0.57945%0.45SS*.  trans32.295.5138.700000118.3
336A25.6Very low44.9Very low60 Ų6086.1 Ų86.150%0.49649%0.49SS..  trans-11485.614300000107.5A338A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.42Å
337A25.9Very low42.9Very low107 Ų10791 Ų9188%0.88452%0.524SS*.  trans-64.198160.800000107.4
338A26.8Very low41Very low76 Ų7693 Ų9363%0.62855%0.552SS**  trans-148.684.9168.600000108.9A336A336-A338 VanDerWaalsContact C-N 3.32Å; A336-A338 PolarHBondContact O-N 3.42Å
339T27.9Very low39.2Very low123 Ų12396.1 Ų96.176%0.75559%0.585SS**  trans53.675139.9-24.40000115.4T341T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.37Å
340A30.6Very low37.2Very low63 Ų63105.5 Ų105.552%0.52162%0.617SS.*  trans-59102150.800000106.6L177 Q342L177-A340 HydrophobicContact CD2-CB 3.83Å; A340-Q342 PolarHBondContact O-N 2.89Å
341T27.9Very low35.7Very low117 Ų117109.4 Ų109.472%0.71865%0.646SS**  trans-55.8105.7170.636.70000106.6T339 M343T339-T341 VanDerWaalsContact C-N 3.28Å; T339-T341 PolarHBondContact O-N 3.37Å; T341-M343 VanDerWaalsContact C-N 3.34Å; T341-M343 PolarHBondContact O-N 2.79Å
342Q30.2Very low34.9Very low166 Ų166117.1 Ų117.178%0.77668%0.675SS**  trans-58.8103.1171.4-66.9-176.3-4.900106.5A340 V344A340-Q342 PolarHBondContact O-N 2.89Å; Q342-V344 HydrophobicContact CB-CG2 3.77Å; Q342-V344 PolarHBondContact O-N 3.05Å
343M31.3Very low35.5Very low152 Ų152125.2 Ų125.275%0.74971%0.708SS**  trans-65.882.8158.4-76.5-167.1-160.600106.8T341 R345T341-M343 VanDerWaalsContact C-N 3.34Å; T341-M343 PolarHBondContact O-N 2.79Å; M343-R345 PolarHBondContact O-N 3.38Å
344V34.9Very low38Very low74 Ų74130.6 Ų130.645%0.44873%0.725SS.*  trans-82.291.9163.5-171.40000105.7Q342 Y346Q342-V344 HydrophobicContact CB-CG2 3.77Å; Q342-V344 PolarHBondContact O-N 3.05Å; V344-Y346 VanDerWaalsContact C-N 3.32Å; V344-Y346 HydrophobicContact CB-CD2 4.25Å; V344-Y346 HydrophobicContact CB-CE2 4.01Å; V344-Y346 HydrophobicContact CG1-CD1 4.4Å; V344-Y346 HydrophobicContact CG1-CD2 3.73Å; V344-Y346 HydrophobicContact CG1-CE1 4.26Å; V344-Y346 HydrophobicContact CG1-CE2 3.58Å; V344-Y346 HydrophobicContact CG1-CG 4.15Å; V344-Y346 PolarHBondContact O-N 3.14Å
345R36Very low41Very low233 Ų233127.4 Ų127.488%0.87970%0.704SS**  trans-66.5100.9157.4-84.9-172.9178178.60.8106.9M343 S347M343-R345 PolarHBondContact O-N 3.38Å; R345-S347 VanDerWaalsContact C-N 3.27Å; R345-S347 PolarHBondContact O-N 3.3Å
346Y33.8Very low44.2Very low213 Ų213126.1 Ų126.184%0.83569%0.69SS**  trans-69.987.7162.7-74.4-86.9000108V344V344-Y346 VanDerWaalsContact C-N 3.32Å; V344-Y346 HydrophobicContact CB-CD2 4.25Å; V344-Y346 HydrophobicContact CB-CE2 4.01Å; V344-Y346 HydrophobicContact CG1-CD1 4.4Å; V344-Y346 HydrophobicContact CG1-CD2 3.73Å; V344-Y346 HydrophobicContact CG1-CE1 4.26Å; V344-Y346 HydrophobicContact CG1-CE2 3.58Å; V344-Y346 HydrophobicContact CG1-CG 4.15Å; V344-Y346 PolarHBondContact O-N 3.14Å
347S41.8Very low47.6Very low104 Ų104126.9 Ų126.973%0.72768%0.683SS**  trans-104.8114.6154.653.80000107.8R345R345-S347 VanDerWaalsContact C-N 3.27Å; R345-S347 PolarHBondContact O-N 3.3Å
348A38.9Very low51Low112 Ų112121.8 Ų121.893%0.92664%0.641SS**SBendtrans-49.8132.8-179.800000111.7
349G42.7Very low54.3Low69 Ų69122 Ų12271%0.71163%0.625SS**  trans127.971.1179.900000112.3S351G349-S351 PolarHBondContact O-N 2.91Å
350R41.5Very low57.7Low241 Ų241116.1 Ų116.191%0.90959%0.589SS**  trans-69.577173.3-71.7-179.3177.5167-1.3110.2
351S45.3Very low60.9Low93 Ų93114.3 Ų114.365%0.6557%0.571SS**  trans-68.4123.6143.5-178.80000105.5G349 K353G349-S351 PolarHBondContact O-N 2.91Å; S351-K353 PolarHBondContact O-N 2.93Å
352Y50.4Low64.2Low230 Ų230109.1 Ų109.190%0.90254%0.539SS*.  trans-62.274.6169.8-115.1-91.2000107.6H354Y352-H354 PolarHBondContact O-N 2.92Å
353K69.6Low67.4Low179 Ų179101.2 Ų101.278%0.77850%0.502SS*.  trans-65.1108.7174-80.5-170.8176.3-1770106.3S351 I355S351-K353 PolarHBondContact O-N 2.93Å; K353-I355 PolarHBondContact O-N 2.81Å; K353-I355 VanDerWaalsContact O-N 3.12Å
354H83.9Confident70.5Confident153 Ų15394 Ų9471%0.70847%0.466SS*.PPolyproline II helixtrans-51.8117.5175.4177.4-84.3000109.1Y352 P356Y352-H354 PolarHBondContact O-N 2.92Å; H354-P356 WeakPolarHBondContact O-CD 3.49Å
355I89.7Confident73.4Confident41 Ų4190.5 Ų90.521%0.2145%0.445CS..PPolyproline II helixtrans-71.3121.1177.6-58.8174.7000107.3E205 K268 K270 K353E205-I355 VanDerWaalsContact OE1-CD1 3.27Å; E205-I355 WeakPolarHBondContact OE1-CD1 3.38Å; K268-I355 HydrophobicContact CD-CD1 3.93Å; K268-I355 HydrophobicContact CG-CG2 4.32Å; K270-I355 HydrophobicContact CG-CG2 4.03Å; K353-I355 PolarHBondContact O-N 2.81Å; K353-I355 VanDerWaalsContact O-N 3.12Å
356P93.9Very high76.3Confident42 Ų4279.4 Ų79.427%0.27340%0.403SS..PPolyproline II helixtrans-62.8153.4179.323.8-30000111.4M267 L269 K270 H354M267-P356 HydrophobicContact CE-CG 3.54Å; L269-P356 HydrophobicContact CD1-CB 4.17Å; L269-P356 HydrophobicContact CD1-CG 4.08Å; L269-P356 WeakPolarHBondContact CD1-O 3.31Å; K270-P356 PolarHBondContact N-O 2.9Å; H354-P356 WeakPolarHBondContact O-CD 3.49Å
357Q95.7Very high79.2Confident77 Ų7769.3 Ų69.336%0.3636%0.364SS..EExtended strand (participates in β ladder)trans-110.9132.5177.8-59.4-173.7-10.200110R219 K270 Y272R219-Q357 PolarHBondContact NH1-O 2.87Å; R219-Q357 PolarHBondContact NH2-O 2.86Å; R219-Q357 VanDerWaalsContact NH2-O 3.14Å; K270-Q357 HydrophobicContact CB-CB 4.5Å; K270-Q357 HydrophobicContact CB-CG 4.09Å; K270-Q357 HydrophobicContact CD-CG 4.2Å; K270-Q357 CarbonylContact O-C 3.58Å; K270-Q357 WeakPolarHBondContact O-CA 3.33Å; Y272-Q357 HydrophobicContact CE2-CB 4.42Å; Y272-Q357 HydrophobicContact CE2-CG 4.36Å
358F97.5Very high81.7Confident0 Ų064.3 Ų64.30%033%0.329CS..EExtended strand (participates in β ladder)trans-109.391.8166.2-161.7-76.4000108.6M210 R219 V221 V234 L236 L269 K270 L271 Y272 V360M210-F358 HydrophobicContact CE-CD2 4.16Å; M210-F358 HydrophobicContact CG-CD2 4.49Å; M210-F358 HydrophobicContact SD-CD2 4.12Å; R219-F358 HydrophobicContact CB-CE2 4.06Å; R219-F358 HydrophobicContact CG-CD2 4.22Å; R219-F358 HydrophobicContact CG-CE2 3.56Å; R219-F358 HydrophobicContact CG-CZ 4.16Å; V221-F358 HydrophobicContact CB-CD1 4.41Å; V221-F358 HydrophobicContact CB-CD2 4.08Å; V221-F358 HydrophobicContact CB-CE1 4.31Å; V221-F358 HydrophobicContact CB-CE2 3.96Å; V221-F358 HydrophobicContact CB-CG 4.31Å; V221-F358 HydrophobicContact CB-CZ 4.09Å; V221-F358 HydrophobicContact CG1-CD1 3.71Å; V221-F358 HydrophobicContact CG1-CD2 4.24Å; V221-F358 HydrophobicContact CG1-CE1 3.48Å; V221-F358 VanDerWaalsContact CG1-CE1 3.48Å; V221-F358 HydrophobicContact CG1-CE2 4.02Å; V221-F358 HydrophobicContact CG1-CG 4.09Å; V221-F358 HydrophobicContact CG1-CZ 3.66Å; V234-F358 HydrophobicContact CB-CE1 4.49Å; V234-F358 HydrophobicContact CG1-CE1 4.04Å; V234-F358 HydrophobicContact CG1-CZ 4.49Å; L236-F358 HydrophobicContact CB-CE1 3.87Å; L236-F358 HydrophobicContact CB-CZ 3.61Å; L236-F358 HydrophobicContact CD2-CD1 4.39Å; L236-F358 HydrophobicContact CD2-CE1 4.01Å; L236-F358 HydrophobicContact CD2-CZ 4.31Å; L269-F358 HydrophobicContact CD1-CB 3.94Å; L269-F358 HydrophobicContact CD2-CB 3.63Å; L269-F358 HydrophobicContact CD2-CG 4.42Å; L269-F358 HydrophobicContact CG-CB 3.95Å; K270-F358 PolarHBondContact O-N 2.87Å; L271-F358 HydrophobicContact CD1-CB 4.21Å; L271-F358 HydrophobicContact CD1-CD1 4.01Å; L271-F358 HydrophobicContact CD1-CG 4.45Å; Y272-F358 PolarHBondContact N-O 2.83Å; F358-V360 HydrophobicContact CD1-CG2 3.79Å; F358-V360 HydrophobicContact CE1-CG2 3.63Å
359R97.7Very high84.4Confident79 Ų7959 Ų5930%0.29829%0.285SS..EExtended strand (participates in β ladder)trans-104.8108.9-175.5174.7-179-89.6-145.1-6.7110L236 Y272 N361L236-R359 WeakPolarHBondContact CD2-O 3.4Å; Y272-R359 HydrophobicContact CD2-CB 4.05Å; Y272-R359 HydrophobicContact CG-CB 4.43Å; Y272-R359 HydrophobicContact CG-CG 4.5Å; R359-N361 HydrophobicContact CG-CB 3.88Å; R359-N361 PolarHBondContact O-N 2.84Å; R359-N361 PolarHBondContact O-OD1 3.49Å
360V98Very high86.9Confident0 Ų056.3 Ų56.30%025%0.253CS..  trans-85.284.7176.9-175.70000108.3V234 L236 Y272 L273 P274 F358 F364V234-V360 HydrophobicContact CG1-CG2 3.92Å; L236-V360 HydrophobicContact CD1-CG1 4.24Å; L236-V360 HydrophobicContact CD2-CG2 4.45Å; Y272-V360 WeakPolarHBondContact O-CB 3.41Å; Y272-V360 PolarHBondContact O-N 2.83Å; L273-V360 HydrophobicContact CD1-CB 4.27Å; L273-V360 HydrophobicContact CD1-CG1 4.41Å; L273-V360 HydrophobicContact CD1-CG2 4Å; P274-V360 WeakPolarHBondContact CD-O 3.17Å; P274-V360 HydrophobicContact CG-CG1 4.28Å; F358-V360 HydrophobicContact CD1-CG2 3.79Å; F358-V360 HydrophobicContact CE1-CG2 3.63Å; V360-F364 HydrophobicContact CG1-CB 4.21Å; V360-F364 HydrophobicContact CG1-CD1 3.3Å; V360-F364 HydrophobicContact CG1-CD2 3.89Å; V360-F364 HydrophobicContact CG1-CE1 3.42Å; V360-F364 VanDerWaalsContact CG1-CE1 3.42Å; V360-F364 HydrophobicContact CG1-CE2 3.98Å; V360-F364 HydrophobicContact CG1-CG 3.54Å; V360-F364 HydrophobicContact CG1-CZ 3.77Å
361N97.4Very high89.3Confident26 Ų2648.1 Ų48.114%0.13923%0.228CC..  trans-120.518.8-176.867.8-23.7000113F189 Y190 R359F189-N361 CarbonylContact C-O 3.54Å; F189-N361 VanDerWaalsContact CA-O 3.29Å; F189-N361 WeakPolarHBondContact CA-O 3.19Å; Y190-N361 WeakPolarHBondContact CD2-O 3.45Å; Y190-N361 PolarHBondContact N-O 3.02Å; R359-N361 HydrophobicContact CG-CB 3.88Å; R359-N361 PolarHBondContact O-N 2.84Å; R359-N361 PolarHBondContact O-OD1 3.49Å
362H97.7Very high91.4Very high8 Ų847.8 Ų47.84%0.03722%0.219CC..SBendtrans-160.7166.6178.761.3-94.6000108.7F189 Y190 L236 P237 N240 F364F189-H362 VanDerWaalsContact CE2-N 3.31Å; F189-H362 VanDerWaalsContact CZ-CA 3.46Å; Y190-H362 WeakPolarHBondContact O-CA 3.47Å; L236-H362 VanDerWaalsContact CD1-CE1 3.49Å; L236-H362 WeakPolarHBondContact CD1-CE1 3.19Å; L236-H362 VanDerWaalsContact CD1-NE2 3.33Å; L236-H362 WeakPolarHBondContact CD1-NE2 3.29Å; P237-H362 PolarHBondContact O-CE1 3.39Å; P237-H362 PolarHBondContact O-NE2 3.47Å; N240-H362 HydrophobicContact CB-CB 3.96Å; N240-H362 PolarHBondContact OD1-ND1 3.5Å; H362-F364 VanDerWaalsContact O-CD1 3.28Å; H362-F364 WeakPolarHBondContact O-CD1 3.37Å; H362-F364 PolarHBondContact O-N 2.83Å
363P97.2Very high93.3Very high0 Ų039.8 Ų39.80%020%0.196CC..  trans-47.5134.9-173.9-33.132.4000114.9F189 Y190 L192 P237 L243 V381F189-P363 HydrophobicContact CE1-CG 4.29Å; Y190-P363 WeakPolarHBondContact O-CD 3.32Å; L192-P363 HydrophobicContact CD2-CB 3.82Å; L192-P363 HydrophobicContact CD2-CG 3.62Å; L192-P363 HydrophobicContact CG-CB 4.23Å; L192-P363 HydrophobicContact CG-CG 3.7Å; P237-P363 WeakPolarHBondContact CD-O 2.87Å; L243-P363 HydrophobicContact CB-CB 3.79Å; L243-P363 HydrophobicContact CD2-CB 3.61Å; L243-P363 HydrophobicContact CG-CB 4.29Å; P363-V381 CarbonylContact C-O 3.56Å; P363-V381 WeakPolarHBondContact CA-O 3.4Å; P363-V381 WeakPolarHBondContact CB-O 2.99Å
364F97.1Very high94.4Very high0 Ų031.3 Ų31.30%016%0.159CC..EExtended strand (participates in β ladder)trans-146.4154.8-168.259.8-80000111.8F189 V234 L236 P274 F276 V360 H362 I366 H380 V381F189-F364 HydrophobicContact CE2-CD1 4.28Å; F189-F364 HydrophobicContact CE2-CE1 4.02Å; F189-F364 HydrophobicContact CZ-CD1 4.34Å; F189-F364 HydrophobicContact CZ-CE1 4.27Å; V234-F364 HydrophobicContact CG1-CD2 3.82Å; V234-F364 HydrophobicContact CG1-CE2 4.46Å; V234-F364 HydrophobicContact CG1-CG 4.48Å; L236-F364 HydrophobicContact CD1-CB 3.9Å; P274-F364 HydrophobicContact CG-CE1 4.12Å; P274-F364 HydrophobicContact CG-CZ 4.16Å; F276-F364 AromaticContact CD1-CZ 4Å; F276-F364 HydrophobicContact CD1-CZ 4Å; F276-F364 AromaticContact CE1-CE2 3.96Å; F276-F364 HydrophobicContact CE1-CE2 3.96Å; F276-F364 AromaticContact CE1-CZ 3.64Å; F276-F364 HydrophobicContact CE1-CZ 3.64Å; F276-F364 HydrophobicContact CZ-CE2 4.11Å; F276-F364 HydrophobicContact CZ-CZ 4.14Å; V360-F364 HydrophobicContact CG1-CB 4.21Å; V360-F364 HydrophobicContact CG1-CD1 3.3Å; V360-F364 HydrophobicContact CG1-CD2 3.89Å; V360-F364 HydrophobicContact CG1-CE1 3.42Å; V360-F364 VanDerWaalsContact CG1-CE1 3.42Å; V360-F364 HydrophobicContact CG1-CE2 3.98Å; V360-F364 HydrophobicContact CG1-CG 3.54Å; V360-F364 HydrophobicContact CG1-CZ 3.77Å; H362-F364 VanDerWaalsContact O-CD1 3.28Å; H362-F364 WeakPolarHBondContact O-CD1 3.37Å; H362-F364 PolarHBondContact O-N 2.83Å; F364-I366 HydrophobicContact CD2-CG2 3.37Å; F364-I366 HydrophobicContact CE2-CG2 3.28Å; F364-H380 CarbonylContact O-C 3.52Å; F364-H380 VanDerWaalsContact O-CA 3.3Å; F364-H380 WeakPolarHBondContact O-CA 3.06Å; F364-V381 HydrophobicContact CD1-CB 4.04Å; F364-V381 HydrophobicContact CD2-CG2 4.48Å; F364-V381 HydrophobicContact CE1-CB 3.59Å; F364-V381 HydrophobicContact CE1-CG1 3.8Å; F364-V381 HydrophobicContact CE1-CG2 4.16Å; F364-V381 HydrophobicContact CE2-CB 4.14Å; F364-V381 HydrophobicContact CE2-CG2 3.85Å; F364-V381 HydrophobicContact CZ-CB 3.65Å; F364-V381 HydrophobicContact CZ-CG1 3.99Å; F364-V381 HydrophobicContact CZ-CG2 3.66Å; F364-V381 PolarHBondContact N-O 3.44Å; F364-V381 PolarHBondContact O-N 3.12Å
365F96.3Very high94.8Very high1 Ų124 Ų240%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-90.8145.2171.5171-87.7000110.1Y15 V235 L243 L246 L247 M250 I256 L378 G379Y15-F365 HydrophobicContact CD1-CE2 4.36Å; Y15-F365 AromaticContact CE1-CD2 3.98Å; Y15-F365 HydrophobicContact CE1-CD2 3.98Å; Y15-F365 AromaticContact CE1-CE2 3.57Å; Y15-F365 HydrophobicContact CE1-CE2 3.57Å; Y15-F365 AromaticContact CZ-CE2 3.96Å; V235-F365 HydrophobicContact CB-CB 4.21Å; V235-F365 HydrophobicContact CB-CD1 4.11Å; V235-F365 HydrophobicContact CG2-CD1 3.82Å; V235-F365 PolarHBondContact N-O 2.99Å; V235-F365 PolarHBondContact O-N 3.46Å; L243-F365 HydrophobicContact CD1-CB 4.5Å; L246-F365 HydrophobicContact CD2-CB 4.1Å; L247-F365 HydrophobicContact CD2-CB 4.4Å; L247-F365 HydrophobicContact CD2-CD2 3.87Å; M250-F365 HydrophobicContact CE-CD1 4.1Å; M250-F365 HydrophobicContact CE-CD2 4.19Å; M250-F365 HydrophobicContact CE-CE1 3.9Å; M250-F365 HydrophobicContact CE-CE2 3.99Å; M250-F365 HydrophobicContact CE-CG 4.24Å; M250-F365 HydrophobicContact CE-CZ 3.84Å; M250-F365 HydrophobicContact SD-CB 4.5Å; M250-F365 HydrophobicContact SD-CD1 4.34Å; M250-F365 HydrophobicContact SD-CD2 4.26Å; M250-F365 HydrophobicContact SD-CG 4.1Å; I256-F365 HydrophobicContact CD1-CE1 3.98Å; I256-F365 HydrophobicContact CD1-CZ 3.97Å; I256-F365 HydrophobicContact CG1-CE1 4.32Å; I256-F365 HydrophobicContact CG1-CZ 4.43Å; F365-L378 HydrophobicContact CE2-CB 4.13Å; F365-L378 HydrophobicContact CZ-CB 3.87Å; F365-G379 WeakPolarHBondContact CD2-O 3.36Å; F365-G379 WeakPolarHBondContact CE2-O 3.38Å
366I95.3Very high95Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-133.3152.3174.460.9169.9000112.3F30 L232 L233 V234 F276 L278 F326 F364 L378 G379 V381F30-I366 HydrophobicContact CD2-CD1 3.77Å; F30-I366 HydrophobicContact CD2-CG1 4.14Å; F30-I366 HydrophobicContact CE2-CD1 3.69Å; F30-I366 HydrophobicContact CE2-CG1 4.12Å; L232-I366 HydrophobicContact CD1-CB 4.16Å; L232-I366 HydrophobicContact CD1-CG2 4.5Å; L233-I366 CarbonylContact O-C 3.48Å; L233-I366 VanDerWaalsContact O-CA 3.3Å; L233-I366 WeakPolarHBondContact O-CA 3.39Å; V234-I366 HydrophobicContact CG2-CG2 4.31Å; F276-I366 HydrophobicContact CE2-CD1 3.87Å; F276-I366 HydrophobicContact CZ-CD1 4.07Å; L278-I366 HydrophobicContact CD1-CD1 3.46Å; L278-I366 VanDerWaalsContact CD1-CD1 3.46Å; L278-I366 HydrophobicContact CD1-CG1 4.48Å; F326-I366 HydrophobicContact CD1-CD1 4.04Å; F326-I366 HydrophobicContact CE1-CD1 3.89Å; F364-I366 HydrophobicContact CD2-CG2 3.37Å; F364-I366 HydrophobicContact CE2-CG2 3.28Å; I366-L378 CarbonylContact O-C 3.56Å; I366-L378 WeakPolarHBondContact O-CA 3.44Å; I366-G379 PolarHBondContact N-O 3Å; I366-G379 PolarHBondContact O-N 2.83Å; I366-V381 HydrophobicContact CD1-CG2 4.21Å
367S95.7Very high94.9Very high0 Ų020.1 Ų20.10%010%0.103CC..EExtended strand (participates in β ladder)trans-150.9143.4167.8-1780000111.7L233 I256 I369 F377L233-S367 PolarHBondContact N-O 3.13Å; L233-S367 PolarHBondContact O-N 3.01Å; I256-S367 VanDerWaalsContact CD1-CB 3.46Å; I256-S367 WeakPolarHBondContact CD1-OG 3.45Å; S367-I369 WeakPolarHBondContact OG-CD1 3.46Å; S367-F377 CarbonylContact C-O 3.55Å; S367-F377 WeakPolarHBondContact CA-O 3.35Å; S367-F377 WeakPolarHBondContact CB-O 3.46Å; S367-F377 PolarHBondContact OG-O 2.96Å
368I94.4Very high94.9Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-94.3112.9169.2-58.3175.9000107.3F30 F171 F225 F230 L232 F326 I376 F377F30-I368 HydrophobicContact CZ-CD1 3.98Å; F30-I368 HydrophobicContact CZ-CG1 4.39Å; F171-I368 HydrophobicContact CB-CD1 4.19Å; F171-I368 HydrophobicContact CD1-CD1 3.46Å; F171-I368 VanDerWaalsContact CD1-CD1 3.46Å; F171-I368 HydrophobicContact CD2-CD1 4.12Å; F171-I368 HydrophobicContact CD2-CG2 4.32Å; F171-I368 HydrophobicContact CE1-CD1 3.76Å; F171-I368 HydrophobicContact CE1-CG2 4.5Å; F171-I368 HydrophobicContact CE2-CD1 4.38Å; F171-I368 HydrophobicContact CE2-CG2 3.84Å; F171-I368 HydrophobicContact CG-CD1 3.65Å; F171-I368 HydrophobicContact CZ-CD1 4.2Å; F171-I368 HydrophobicContact CZ-CG2 3.94Å; F225-I368 HydrophobicContact CE2-CG2 4.45Å; F230-I368 HydrophobicContact CD1-CG2 4.21Å; L232-I368 HydrophobicContact CD1-CG1 4.4Å; F326-I368 HydrophobicContact CD2-CD1 3.64Å; F326-I368 HydrophobicContact CE2-CD1 3.57Å; F326-I368 HydrophobicContact CE2-CG1 4.29Å; F326-I368 HydrophobicContact CG-CD1 4.27Å; F326-I368 HydrophobicContact CZ-CD1 4.16Å; F326-I368 HydrophobicContact CZ-CG1 4.43Å; I368-I376 PolarHBondContact O-N 2.71Å; I368-F377 HydrophobicContact CB-CB 4.13Å; I368-F377 HydrophobicContact CB-CD2 4Å; I368-F377 HydrophobicContact CD1-CB 4.16Å; I368-F377 HydrophobicContact CD1-CD2 3.79Å; I368-F377 HydrophobicContact CD1-CE2 4.44Å; I368-F377 HydrophobicContact CD1-CG 4.09Å; I368-F377 HydrophobicContact CG1-CB 4.22Å; I368-F377 HydrophobicContact CG1-CD2 4.37Å; I368-F377 HydrophobicContact CG2-CD2 4.41Å; I368-F377 PolarHBondContact N-O 2.97Å; I368-F377 PolarHBondContact O-N 3.44Å
369I95.4Very high94.6Very high0 Ų016.5 Ų16.50%09%0.086CC..EExtended strand (participates in β ladder)trans-98.8131.5-176.4-49.8-59.3000109.4F230 T231 L233 I256 L260 S367 D372 L374 P375F230-I369 WeakPolarHBondContact CA-O 3.38Å; T231-I369 PolarHBondContact N-O 3.45Å; T231-I369 PolarHBondContact O-N 3.26Å; L233-I369 HydrophobicContact CB-CD1 4.48Å; L233-I369 HydrophobicContact CB-CG1 3.92Å; L233-I369 HydrophobicContact CD2-CD1 4.49Å; I256-I369 HydrophobicContact CD1-CD1 3.79Å; L260-I369 HydrophobicContact CD1-CD1 4.01Å; L260-I369 HydrophobicContact CD1-CG2 4.32Å; L260-I369 HydrophobicContact CD2-CD1 3.85Å; L260-I369 HydrophobicContact CD2-CG1 3.84Å; L260-I369 HydrophobicContact CD2-CG2 4.11Å; L260-I369 HydrophobicContact CG-CD1 4.46Å; S367-I369 WeakPolarHBondContact OG-CD1 3.46Å; I369-D372 VanDerWaalsContact CG2-C 3.4Å; I369-L374 CarbonylContact C-O 3.52Å; I369-L374 WeakPolarHBondContact CA-O 3.42Å; I369-P375 HydrophobicContact CD1-CB 4.19Å
370W94.4Very high94.4Very high12 Ų1212.8 Ų12.85%0.0457%0.072CC..EExtended strand (participates in β ladder)trans-105.5133.2173-17863.7000111.2L77 D80 C81 K229 F230 D372 S373 L374 I376L77-W370 HydrophobicContact CD2-CH2 4.47Å; L77-W370 HydrophobicContact CD2-CZ3 3.84Å; D80-W370 HydrophobicContact CB-CH2 3.61Å; D80-W370 HydrophobicContact CB-CZ2 3.69Å; C81-W370 HydrophobicContact CB-CD2 4.4Å; C81-W370 HydrophobicContact CB-CH2 4.43Å; C81-W370 HydrophobicContact CB-CZ2 4.24Å; K229-W370 CarbonylContact O-C 3.58Å; K229-W370 VanDerWaalsContact O-CA 3.24Å; K229-W370 WeakPolarHBondContact O-CA 3.38Å; F230-W370 HydrophobicContact CD1-CB 4.37Å; F230-W370 AromaticContact CD1-CD1 3.99Å; F230-W370 HydrophobicContact CE1-CB 4.22Å; F230-W370 AromaticContact CE1-CD1 3.52Å; F230-W370 HydrophobicContact CE1-CG 4.12Å; F230-W370 AromaticContact CZ-CD1 3.55Å; F230-W370 HydrophobicContact CZ-CG 4.47Å; F230-W370 AromaticContact CZ-NE1 3.95Å; W370-D372 PolarHBondContact O-N 3.12Å; W370-S373 PolarHBondContact O-N 2.76Å; W370-L374 HydrophobicContact CE3-CB 4.31Å; W370-L374 HydrophobicContact CE3-CD2 3.86Å; W370-L374 HydrophobicContact CZ3-CD2 4.22Å; W370-L374 PolarHBondContact N-O 3.06Å; W370-L374 PolarHBondContact O-N 2.78Å; W370-I376 HydrophobicContact CB-CD1 3.81Å; W370-I376 HydrophobicContact CB-CG1 3.48Å; W370-I376 VanDerWaalsContact CB-CG1 3.48Å; W370-I376 HydrophobicContact CE3-CD1 4.35Å; W370-I376 HydrophobicContact CG-CD1 4.42Å; W370-I376 HydrophobicContact CG-CG1 4.38Å
371N92.6Very high94.2Very high70 Ų7012.8 Ų12.837%0.3747%0.072SC..THydrogen-bonded Turntrans47.642.2-175.6-62.1-35.4000113K229 S373K229-N371 WeakPolarHBondContact CD-OD1 2.91Å; K229-N371 WeakPolarHBondContact CG-OD1 3.46Å; K229-N371 PolarHBondContact O-N 3.37Å; N371-S373 PolarHBondContact O-N 2.95Å; N371-S373 PolarHBondContact O-OG 3Å
372D90Very high94Very high86 Ų8612.1 Ų12.146%0.467%0.069SC..THydrogen-bonded Turntrans58.52.2178.6-82-56.5000117.4K222 I369 W370K222-D372 IonicContact NZ-OD1 3.28Å; K222-D372 PolarHBondContact NZ-OD1 2.89Å; I369-D372 VanDerWaalsContact CG2-C 3.4Å; W370-D372 PolarHBondContact O-N 3.12Å
373S89.2Confident93.6Very high62 Ų6211.8 Ų11.843%0.4347%0.068SC..THydrogen-bonded Turntrans-132.7-30.3-168.149.90000114L260 W370 N371L260-S373 WeakPolarHBondContact CD1-O 3.22Å; W370-S373 PolarHBondContact O-N 2.76Å; N371-S373 PolarHBondContact O-N 2.95Å; N371-S373 PolarHBondContact O-OG 3Å
374L92.5Very high93.1Very high1 Ų112 Ų121%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-108114.8-172.5-171.157000112.7L4 L7 F34 L77 I369 W370 I376L4-L374 HydrophobicContact CD1-CB 4.26Å; L4-L374 HydrophobicContact CD1-CD1 3.54Å; L4-L374 HydrophobicContact CD1-CD2 3.91Å; L4-L374 HydrophobicContact CD1-CG 4.1Å; L7-L374 HydrophobicContact CD2-CD1 3.63Å; L7-L374 HydrophobicContact CD2-CD2 3.93Å; L7-L374 HydrophobicContact CD2-CG 4.31Å; L7-L374 HydrophobicContact CG-CD1 4.03Å; F34-L374 HydrophobicContact CD2-CD2 4.36Å; F34-L374 HydrophobicContact CE2-CD2 4.42Å; L77-L374 HydrophobicContact CD2-CD2 4.4Å; I369-L374 CarbonylContact C-O 3.52Å; I369-L374 WeakPolarHBondContact CA-O 3.42Å; W370-L374 HydrophobicContact CE3-CB 4.31Å; W370-L374 HydrophobicContact CE3-CD2 3.86Å; W370-L374 HydrophobicContact CZ3-CD2 4.22Å; W370-L374 PolarHBondContact N-O 3.06Å; W370-L374 PolarHBondContact O-N 2.78Å; L374-I376 HydrophobicContact CD2-CD1 3.8Å; L374-I376 HydrophobicContact CG-CD1 3.95Å; L374-I376 PolarHBondContact O-N 2.9Å
375P93.4Very high92.5Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-68.4107.9168.227.9-36000111.4T11 I256 I369 L378T11-P375 HydrophobicContact CG2-CB 4.45Å; T11-P375 HydrophobicContact CG2-CG 3.84Å; I256-P375 HydrophobicContact CD1-CB 3.93Å; I256-P375 HydrophobicContact CG2-CB 4.29Å; I256-P375 HydrophobicContact CG2-CG 3.81Å; I369-P375 HydrophobicContact CD1-CB 4.19Å; P375-L378 HydrophobicContact CB-CD2 4.43Å
376I93.4Very high91Very high0 Ų020.8 Ų20.80%012%0.115CC..EExtended strand (participates in β ladder)trans-82-39.6174.5-55.1-59.9000110.5S32 F34 I90 I368 W370 L374S32-I376 VanDerWaalsContact CA-O 3.27Å; S32-I376 WeakPolarHBondContact CA-O 3.33Å; S32-I376 WeakPolarHBondContact CB-O 3.32Å; S32-I376 PolarHBondContact OG-O 2.96Å; F34-I376 HydrophobicContact CB-CD1 4.27Å; F34-I376 HydrophobicContact CB-CG2 4.25Å; F34-I376 HydrophobicContact CD1-CD1 3.88Å; F34-I376 HydrophobicContact CD1-CG2 3.9Å; F34-I376 HydrophobicContact CD2-CD1 4.41Å; F34-I376 HydrophobicContact CE1-CD1 4.25Å; F34-I376 HydrophobicContact CG-CD1 3.93Å; F34-I376 HydrophobicContact CG-CG2 4.42Å; I90-I376 HydrophobicContact CD1-CG2 3.94Å; I368-I376 PolarHBondContact O-N 2.71Å; W370-I376 HydrophobicContact CB-CD1 3.81Å; W370-I376 HydrophobicContact CB-CG1 3.48Å; W370-I376 VanDerWaalsContact CB-CG1 3.48Å; W370-I376 HydrophobicContact CE3-CD1 4.35Å; W370-I376 HydrophobicContact CG-CD1 4.42Å; W370-I376 HydrophobicContact CG-CG1 4.38Å; L374-I376 HydrophobicContact CD2-CD1 3.8Å; L374-I376 HydrophobicContact CG-CD1 3.95Å; L374-I376 PolarHBondContact O-N 2.9Å
377F93Very high89.1Confident0 Ų028.1 Ų28.10%015%0.149CC..EExtended strand (participates in β ladder)trans-130.4148.2174.6-58.6-103.5000109.5F30 L31 I90 T169 F171 T324 S367 I368F30-F377 HydrophobicContact CD1-CD1 4.29Å; F30-F377 HydrophobicContact CE1-CB 3.79Å; F30-F377 AromaticContact CE1-CD1 3.37Å; F30-F377 HydrophobicContact CE1-CD1 3.37Å; F30-F377 HydrophobicContact CE1-CE1 4.17Å; F30-F377 AromaticContact CE1-CG 3.86Å; F30-F377 HydrophobicContact CE1-CG 3.86Å; F30-F377 HydrophobicContact CE2-CB 3.78Å; F30-F377 HydrophobicContact CZ-CB 3.24Å; F30-F377 AromaticContact CZ-CD1 3.76Å; F30-F377 HydrophobicContact CZ-CD1 3.76Å; F30-F377 AromaticContact CZ-CG 3.72Å; F30-F377 HydrophobicContact CZ-CG 3.72Å; L31-F377 VanDerWaalsContact O-CA 3.28Å; L31-F377 WeakPolarHBondContact O-CA 3.29Å; I90-F377 HydrophobicContact CD1-CE2 4.04Å; I90-F377 HydrophobicContact CG1-CE2 4.49Å; T169-F377 WeakPolarHBondContact OG1-CE1 3.3Å; F171-F377 HydrophobicContact CB-CD2 4.46Å; F171-F377 HydrophobicContact CB-CE1 4.31Å; F171-F377 HydrophobicContact CB-CE2 3.71Å; F171-F377 HydrophobicContact CB-CZ 3.63Å; F171-F377 HydrophobicContact CD2-CE2 4.01Å; F171-F377 HydrophobicContact CG-CE2 4.17Å; T324-F377 HydrophobicContact CG2-CD1 4.5Å; T324-F377 HydrophobicContact CG2-CE1 4.38Å; S367-F377 CarbonylContact C-O 3.55Å; S367-F377 WeakPolarHBondContact CA-O 3.35Å; S367-F377 WeakPolarHBondContact CB-O 3.46Å; S367-F377 PolarHBondContact OG-O 2.96Å; I368-F377 HydrophobicContact CB-CB 4.13Å; I368-F377 HydrophobicContact CB-CD2 4Å; I368-F377 HydrophobicContact CD1-CB 4.16Å; I368-F377 HydrophobicContact CD1-CD2 3.79Å; I368-F377 HydrophobicContact CD1-CE2 4.44Å; I368-F377 HydrophobicContact CD1-CG 4.09Å; I368-F377 HydrophobicContact CG1-CB 4.22Å; I368-F377 HydrophobicContact CG1-CD2 4.37Å; I368-F377 HydrophobicContact CG2-CD2 4.41Å; I368-F377 PolarHBondContact N-O 2.97Å; I368-F377 PolarHBondContact O-N 3.44Å
378L93.8Very high88.7Confident1 Ų129.5 Ų29.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-151.8164.8171.358.672.3000111.2T11 Y15 L31 P33 F365 I366 P375T11-L378 HydrophobicContact CG2-CD2 3.34Å; T11-L378 HydrophobicContact CG2-CG 4.5Å; Y15-L378 HydrophobicContact CD1-CD1 3.94Å; Y15-L378 HydrophobicContact CD2-CD1 3.15Å; Y15-L378 HydrophobicContact CE1-CD1 4.22Å; Y15-L378 HydrophobicContact CE2-CD1 3.49Å; Y15-L378 VanDerWaalsContact CE2-CD1 3.49Å; Y15-L378 HydrophobicContact CG-CD1 3.38Å; Y15-L378 HydrophobicContact CG-CD2 4.49Å; L31-L378 HydrophobicContact CD1-CD1 3.78Å; L31-L378 HydrophobicContact CD1-CG 4.45Å; L31-L378 HydrophobicContact CG-CD1 4.43Å; L31-L378 PolarHBondContact N-O 3.18Å; L31-L378 PolarHBondContact O-N 3.01Å; P33-L378 HydrophobicContact CG-CD1 4.13Å; P33-L378 HydrophobicContact CG-CD2 3.89Å; P33-L378 HydrophobicContact CG-CG 3.71Å; F365-L378 HydrophobicContact CE2-CB 4.13Å; F365-L378 HydrophobicContact CZ-CB 3.87Å; I366-L378 CarbonylContact O-C 3.56Å; I366-L378 WeakPolarHBondContact O-CA 3.44Å; P375-L378 HydrophobicContact CB-CD2 4.43Å
379G92.6Very high88.4Confident0 Ų031.1 Ų31.10%017%0.165CC..EExtended strand (participates in β ladder)trans165.7-167.8-178.400000112.7Y15 T29 F365 I366Y15-G379 VanDerWaalsContact OH-C 3.22Å; Y15-G379 WeakPolarHBondContact OH-CA 3.43Å; T29-G379 CarbonylContact O-C 3.54Å; T29-G379 WeakPolarHBondContact O-CA 3.08Å; F365-G379 WeakPolarHBondContact CD2-O 3.36Å; F365-G379 WeakPolarHBondContact CE2-O 3.38Å; I366-G379 PolarHBondContact N-O 3Å; I366-G379 PolarHBondContact O-N 2.83Å
380H93.3Very high88Confident1 Ų132.8 Ų32.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-142.4149.3177.559.9-86.6000110.9Y15 I19 W26 E27 T29 L243 L247 F364Y15-H380 AromaticContact CZ-ND1 3.93Å; Y15-H380 PolarHBondContact OH-ND1 3.34Å; I19-H380 WeakPolarHBondContact CD1-CE1 3.44Å; W26-H380 AromaticContact CE3-NE2 3.76Å; E27-H380 PolarHBondContact O-NE2 2.9Å; T29-H380 VanDerWaalsContact CB-CE1 3.42Å; T29-H380 WeakPolarHBondContact CB-CE1 3.46Å; T29-H380 PolarHBondContact N-O 2.89Å; T29-H380 PolarHBondContact O-N 2.89Å; T29-H380 PolarHBondContact OG1-CE1 3.34Å; L243-H380 HydrophobicContact CD1-CB 4.04Å; L243-H380 HydrophobicContact CD2-CB 3.95Å; L247-H380 HydrophobicContact CD1-CB 4.36Å; F364-H380 CarbonylContact O-C 3.52Å; F364-H380 VanDerWaalsContact O-CA 3.3Å; F364-H380 WeakPolarHBondContact O-CA 3.06Å
381V92.9Very high87.7Confident0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-111.8118.1178.3-174.70000107.8N28 F276 L278 P363 F364 I366 P384N28-V381 WeakPolarHBondContact OD1-CA 3.41Å; F276-V381 HydrophobicContact CD2-CG2 4.29Å; F276-V381 HydrophobicContact CE2-CG2 4.13Å; F276-V381 HydrophobicContact CZ-CG2 4.42Å; L278-V381 HydrophobicContact CD1-CG2 3.81Å; L278-V381 HydrophobicContact CD2-CG2 3.95Å; L278-V381 HydrophobicContact CG-CG2 4.41Å; P363-V381 CarbonylContact C-O 3.56Å; P363-V381 WeakPolarHBondContact CA-O 3.4Å; P363-V381 WeakPolarHBondContact CB-O 2.99Å; F364-V381 HydrophobicContact CD1-CB 4.04Å; F364-V381 HydrophobicContact CD2-CG2 4.48Å; F364-V381 HydrophobicContact CE1-CB 3.59Å; F364-V381 HydrophobicContact CE1-CG1 3.8Å; F364-V381 HydrophobicContact CE1-CG2 4.16Å; F364-V381 HydrophobicContact CE2-CB 4.14Å; F364-V381 HydrophobicContact CE2-CG2 3.85Å; F364-V381 HydrophobicContact CZ-CB 3.65Å; F364-V381 HydrophobicContact CZ-CG1 3.99Å; F364-V381 HydrophobicContact CZ-CG2 3.66Å; F364-V381 PolarHBondContact N-O 3.44Å; F364-V381 PolarHBondContact O-N 3.12Å; I366-V381 HydrophobicContact CD1-CG2 4.21Å; V381-P384 HydrophobicContact CG1-CG 4.36Å
382T93Very high87.3Confident12 Ų1231.8 Ų31.87%0.07417%0.17CC..SBendtrans-97.6-31.1173.864.30000111.9W26 N28 F189 L192 L243W26-T382 HydrophobicContact CB-CG2 3.85Å; W26-T382 WeakPolarHBondContact O-CG2 3.4Å; W26-T382 PolarHBondContact O-OG1 2.78Å; N28-T382 PolarHBondContact OD1-N 2.67Å; N28-T382 PolarHBondContact OD1-OG1 2.9Å; F189-T382 WeakPolarHBondContact CE1-O 3.45Å; L192-T382 HydrophobicContact CD1-CG2 4.07Å; L243-T382 HydrophobicContact CD2-CG2 4Å
383S90.7Very high87.2Confident2 Ų228.1 Ų28.11%0.01415%0.15CC..  trans-146.4118.7175.4167.70000110.9N28 M197 L385 N386N28-S383 PolarHBondContact ND2-O 2.96Å; N28-S383 PolarHBondContact OD1-N 2.97Å; N28-S383 VanDerWaalsContact OD1-N 3.09Å; N28-S383 PolarHBondContact OD1-O 3.41Å; M197-S383 VanDerWaalsContact CE-OG 3.29Å; M197-S383 WeakPolarHBondContact CE-OG 3.27Å; M197-S383 PolarHBondContact SD-OG 2.69Å; M197-S383 VanDerWaalsContact SD-OG 3.41Å; S383-L385 PolarHBondContact O-N 2.79Å; S383-N386 WeakPolarHBondContact CB-ND2 2.95Å; S383-N386 PolarHBondContact O-N 3.27Å; S383-N386 VanDerWaalsContact OG-CG 3.32Å; S383-N386 PolarHBondContact OG-N 2.84Å; S383-N386 PolarHBondContact OG-OD1 3.01Å
384P86.6Confident87Confident4 Ų425.7 Ų25.73%0.02613%0.13CC..THydrogen-bonded Turntrans-62.7-21.1179.1-27.937.6000115.5F189 V199 P274 F276 V381F189-P384 HydrophobicContact CD1-CG 4.3Å; F189-P384 HydrophobicContact CD2-CG 3.67Å; F189-P384 HydrophobicContact CE1-CG 4.22Å; F189-P384 HydrophobicContact CE2-CG 3.58Å; F189-P384 HydrophobicContact CG-CG 4.04Å; F189-P384 HydrophobicContact CZ-CG 3.86Å; V199-P384 HydrophobicContact CG1-CB 4.1Å; V199-P384 HydrophobicContact CG1-CG 4.11Å; P274-P384 HydrophobicContact CB-CB 4.25Å; P274-P384 HydrophobicContact CB-CG 4.07Å; P274-P384 HydrophobicContact CG-CG 4.1Å; F276-P384 HydrophobicContact CB-CB 4.03Å; V381-P384 HydrophobicContact CG1-CG 4.36Å
385L84.3Confident86.6Confident93 Ų9327.6 Ų27.649%0.48714%0.14SC..THydrogen-bonded Turntrans-98-11.9-178.9-58.2-179.1000113.7M197 S198 V199 S383 H387M197-L385 HydrophobicContact CE-CB 3.46Å; M197-L385 VanDerWaalsContact CE-CB 3.46Å; M197-L385 HydrophobicContact CE-CD1 3.42Å; M197-L385 VanDerWaalsContact CE-CD1 3.42Å; M197-L385 HydrophobicContact CE-CG 3.32Å; S198-L385 WeakPolarHBondContact O-CD1 3.33Å; V199-L385 HydrophobicContact CG1-CG 4.36Å; S383-L385 PolarHBondContact O-N 2.79Å; L385-H387 PolarHBondContact O-N 3.03Å
386N65.6Low86Confident92 Ų9229.9 Ų29.949%0.49215%0.151SC..  trans-76.6115.5174.8-71.9-3.7000108.8N28 S383N28-N386 PolarHBondContact ND2-O 2.83Å; S383-N386 WeakPolarHBondContact CB-ND2 2.95Å; S383-N386 PolarHBondContact O-N 3.27Å; S383-N386 VanDerWaalsContact OG-CG 3.32Å; S383-N386 PolarHBondContact OG-N 2.84Å; S383-N386 PolarHBondContact OG-OD1 3.01Å
387H53.5Low85.4Confident154 Ų15432.6 Ų32.671%0.71317%0.165SC*.  trans-88.10-177.3-71.3-43.8000114.1L385L385-H387 PolarHBondContact O-N 3.03Å

Retrieved 387 of 387 residues in 116.4 ms (Link to these results)

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