A0A3Q0KQK2_SCHMA Loading...

Serpin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KQK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 386 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
1M58.1Low87.1Confident108 Ų10840.4 Ų40.453%0.53221%0.21SC..  0123.60-162.4165.3-63.800107Q5 N9 R60 P62M1-Q5 HydrophobicContact CE-CG 4.34Å; M1-Q5 HydrophobicContact CG-CB 3.75Å; M1-Q5 HydrophobicContact CG-CG 3.75Å; M1-Q5 HydrophobicContact SD-CG 4.34Å; M1-N9 WeakPolarHBondContact CE-ND2 3.4Å; M1-R60 VanDerWaalsContact SD-O 3.39Å; M1-P62 HydrophobicContact CB-CB 4.5Å; M1-P62 WeakPolarHBondContact O-CG 2.94Å
2D83.4Confident87.4Confident90 Ų9040.3 Ų40.348%0.48121%0.207SC..  trans-98.3-177.6170.160.410.5000109.7I4 Q5 S6D2-I4 VanDerWaalsContact C-N 3.25Å; D2-I4 PolarHBondContact O-N 3.11Å; D2-I4 PolarHBondContact OD1-N 2.92Å; D2-Q5 PolarHBondContact O-N 3.31Å; D2-Q5 WeakPolarHBondContact OD1-CB 3.39Å; D2-Q5 PolarHBondContact OD1-N 3.03Å; D2-S6 PolarHBondContact O-N 2.85Å; D2-S6 PolarHBondContact O-OG 3.38Å
3V87.1Confident87.8Confident7 Ų743.2 Ų43.24%0.04221%0.214CC..Hα-helixtrans-64.8-29.6-179.5172.80000112.4S6 L7 Y37 L65 I74 L77V3-S6 WeakPolarHBondContact CA-OG 3.4Å; V3-S6 PolarHBondContact O-OG 3.11Å; V3-L7 VanDerWaalsContact O-CB 3.22Å; V3-L7 WeakPolarHBondContact O-CB 3.25Å; V3-L7 PolarHBondContact O-N 3.17Å; V3-Y37 HydrophobicContact CG1-CE1 4.09Å; V3-L65 HydrophobicContact CG2-CD1 4.33Å; V3-I74 HydrophobicContact CG1-CG1 3.75Å; V3-L77 HydrophobicContact CG1-CD1 3.95Å
4I88Confident88.1Confident71 Ų7140.1 Ų40.136%0.36420%0.199SC..Hα-helixtrans-70.4-46.3179-63.9174.8000109.8D2 L7 G8 L77D2-I4 VanDerWaalsContact C-N 3.25Å; D2-I4 PolarHBondContact O-N 3.11Å; D2-I4 PolarHBondContact OD1-N 2.92Å; I4-L7 PolarHBondContact O-N 2.97Å; I4-G8 PolarHBondContact O-N 3.11Å; I4-L77 HydrophobicContact CD1-CD2 4.27Å; I4-L77 HydrophobicContact CG1-CD1 4.23Å; I4-L77 HydrophobicContact CG1-CD2 4.14Å
5Q88.7Confident88.3Confident100 Ų10037.7 Ų37.747%0.46719%0.187SC..Hα-helixtrans-66.8-38.3178-173.1179.225.700111.9M1 D2 L7 G8 N9M1-Q5 HydrophobicContact CE-CG 4.34Å; M1-Q5 HydrophobicContact CG-CB 3.75Å; M1-Q5 HydrophobicContact CG-CG 3.75Å; M1-Q5 HydrophobicContact SD-CG 4.34Å; D2-Q5 PolarHBondContact O-N 3.31Å; D2-Q5 WeakPolarHBondContact OD1-CB 3.39Å; D2-Q5 PolarHBondContact OD1-N 3.03Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; Q5-G8 PolarHBondContact O-N 3.31Å; Q5-N9 VanDerWaalsContact O-CG 3.31Å; Q5-N9 PolarHBondContact O-N 3.2Å; Q5-N9 VanDerWaalsContact O-N 3.1Å; Q5-N9 PolarHBondContact O-ND2 3.07Å
6S91.8Very high88.5Confident0 Ų040.9 Ų40.90%020%0.196CC..Hα-helixtrans-64.5-40.9174.963.90000111.6D2 V3 N9 F10 Y37 R60D2-S6 PolarHBondContact O-N 2.85Å; D2-S6 PolarHBondContact O-OG 3.38Å; V3-S6 WeakPolarHBondContact CA-OG 3.4Å; V3-S6 PolarHBondContact O-OG 3.11Å; S6-N9 PolarHBondContact O-N 2.82Å; S6-F10 WeakPolarHBondContact O-CB 3.32Å; S6-F10 PolarHBondContact O-N 2.86Å; S6-Y37 PolarHBondContact OG-OH 3.41Å; S6-R60 WeakPolarHBondContact CB-O 3.35Å
7L92.2Very high88.7Confident1 Ų139.8 Ų39.81%0.00519%0.19CC..Hα-helixtrans-62.8-44175171.763.2000112.4V3 I4 Q5 N9 F10 S11 F34 Y37 L373V3-L7 VanDerWaalsContact O-CB 3.22Å; V3-L7 WeakPolarHBondContact O-CB 3.25Å; V3-L7 PolarHBondContact O-N 3.17Å; I4-L7 PolarHBondContact O-N 2.97Å; Q5-L7 VanDerWaalsContact C-N 3.35Å; L7-N9 PolarHBondContact O-N 3.23Å; L7-F10 PolarHBondContact O-N 2.89Å; L7-S11 WeakPolarHBondContact O-CB 3.22Å; L7-S11 PolarHBondContact O-N 3.05Å; L7-S11 PolarHBondContact O-OG 3.07Å; L7-F34 HydrophobicContact CD1-CD2 4.48Å; L7-F34 HydrophobicContact CD2-CD2 3.58Å; L7-F34 HydrophobicContact CD2-CE2 4.29Å; L7-Y37 HydrophobicContact CB-CE1 4.45Å; L7-Y37 HydrophobicContact CB-CE2 4.44Å; L7-Y37 HydrophobicContact CD1-CD1 4.06Å; L7-Y37 HydrophobicContact CD1-CD2 3.93Å; L7-Y37 HydrophobicContact CD1-CG 3.6Å; L7-L373 HydrophobicContact CD2-CD1 3.71Å; L7-L373 HydrophobicContact CD2-CD2 3.6Å; L7-L373 HydrophobicContact CD2-CG 4.16Å; L7-L373 HydrophobicContact CG-CD1 3.94Å
8G91.1Very high88.8Confident11 Ų1137.8 Ų37.811%0.11318%0.181CC..Hα-helixtrans-58.3-48.6175.700000111.8I4 Q5 F10 S11 E12I4-G8 PolarHBondContact O-N 3.11Å; Q5-G8 PolarHBondContact O-N 3.31Å; G8-F10 PolarHBondContact O-N 3.14Å; G8-S11 WeakPolarHBondContact O-CB 3.22Å; G8-S11 PolarHBondContact O-N 3.18Å; G8-E12 PolarHBondContact O-N 3.08Å; G8-E12 VanDerWaalsContact O-N 3.16Å
9N91.4Very high88.8Confident56 Ų5636.9 Ų36.930%0.29918%0.177SC..Hα-helixtrans-62.3-42.2176.7-69.4-28.4000112.6M1 Q5 S6 L7 S11 R13 R60M1-N9 WeakPolarHBondContact CE-ND2 3.4Å; Q5-N9 VanDerWaalsContact O-CG 3.31Å; Q5-N9 PolarHBondContact O-N 3.2Å; Q5-N9 VanDerWaalsContact O-N 3.1Å; Q5-N9 PolarHBondContact O-ND2 3.07Å; S6-N9 PolarHBondContact O-N 2.82Å; L7-N9 PolarHBondContact O-N 3.23Å; N9-S11 VanDerWaalsContact C-N 3.34Å; N9-R13 WeakPolarHBondContact O-CB 3.43Å; N9-R13 PolarHBondContact O-N 3.22Å; N9-R13 VanDerWaalsContact O-N 3.09Å; N9-R60 HydrophobicContact CB-CB 4.24Å; N9-R60 HydrophobicContact CB-CG 4.15Å
10F93.5Very high88.7Confident0 Ų041.9 Ų41.90%020%0.198CC..Hα-helixtrans-60.8-45.3175.3170.9-98.8000111S6 L7 G8 E12 R13 F14 I36 Y37 L40 L293S6-F10 WeakPolarHBondContact O-CB 3.32Å; S6-F10 PolarHBondContact O-N 2.86Å; L7-F10 PolarHBondContact O-N 2.89Å; G8-F10 PolarHBondContact O-N 3.14Å; F10-E12 PolarHBondContact O-N 3.28Å; F10-R13 PolarHBondContact O-N 2.89Å; F10-F14 HydrophobicContact CE1-CB 4.19Å; F10-F14 HydrophobicContact CE1-CG 4.38Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CE2-CD2 4.44Å; F10-F14 HydrophobicContact CZ-CB 4.01Å; F10-F14 HydrophobicContact CZ-CD2 4.01Å; F10-F14 HydrophobicContact CZ-CG 4.05Å; F10-F14 WeakPolarHBondContact O-CB 3.4Å; F10-F14 PolarHBondContact O-N 3.46Å; F10-I36 HydrophobicContact CE1-CB 4.41Å; F10-I36 HydrophobicContact CE1-CG2 4.15Å; F10-I36 HydrophobicContact CZ-CG2 3.86Å; F10-Y37 HydrophobicContact CB-CD2 3.98Å; F10-Y37 HydrophobicContact CB-CE2 4.15Å; F10-Y37 AromaticContact CD1-CD2 3.64Å; F10-Y37 HydrophobicContact CD1-CD2 3.64Å; F10-Y37 HydrophobicContact CD1-CG 4.35Å; F10-Y37 HydrophobicContact CD2-CD2 4.45Å; F10-Y37 HydrophobicContact CE1-CD2 4.26Å; F10-Y37 AromaticContact CG-CD2 3.75Å; F10-Y37 HydrophobicContact CG-CD2 3.75Å; F10-Y37 HydrophobicContact CG-CE2 4.33Å; F10-L40 HydrophobicContact CD2-CD1 4.5Å; F10-L40 HydrophobicContact CE2-CD1 3.56Å; F10-L40 HydrophobicContact CZ-CD1 3.58Å; F10-L293 HydrophobicContact CE2-CD1 3.98Å
11S92.6Very high88.4Confident0 Ų044.5 Ų44.50%021%0.206CC..Hα-helixtrans-59.3-47.2-177.7-56.90000111.8L7 G8 N9 Y15 P33L7-S11 WeakPolarHBondContact O-CB 3.22Å; L7-S11 PolarHBondContact O-N 3.05Å; L7-S11 PolarHBondContact O-OG 3.07Å; G8-S11 WeakPolarHBondContact O-CB 3.22Å; G8-S11 PolarHBondContact O-N 3.18Å; N9-S11 VanDerWaalsContact C-N 3.34Å; S11-Y15 WeakPolarHBondContact O-CB 3.29Å; S11-Y15 PolarHBondContact O-N 3.34Å; S11-P33 VanDerWaalsContact OG-CB 3.32Å; S11-P33 WeakPolarHBondContact OG-CB 3.35Å
12E91.5Very high89.3Confident39 Ų3941.7 Ų41.718%0.18219%0.193CC..Hα-helixtrans-66.6-41.8177.9-68.4-179.8-178.300112.4G8 F10 R16 S257G8-E12 PolarHBondContact O-N 3.08Å; G8-E12 VanDerWaalsContact O-N 3.16Å; F10-E12 PolarHBondContact O-N 3.28Å; E12-R16 WeakPolarHBondContact O-CB 3.26Å; E12-R16 PolarHBondContact O-N 2.93Å; E12-R16 VanDerWaalsContact O-N 3.15Å; E12-S257 VanDerWaalsContact OE1-CB 3.31Å; E12-S257 WeakPolarHBondContact OE1-CB 3.22Å; E12-S257 PolarHBondContact OE1-N 3.05Å; E12-S257 PolarHBondContact OE1-OG 3.47Å
13R91.9Very high88.7Confident78 Ų7846.3 Ų46.329%0.29421%0.212SC..Hα-helixtrans-66.5-44.8178.4-174.4-177.3173.8-162.1-5.9111.6N9 F10 R16 E17 L293N9-R13 WeakPolarHBondContact O-CB 3.43Å; N9-R13 PolarHBondContact O-N 3.22Å; N9-R13 VanDerWaalsContact O-N 3.09Å; F10-R13 PolarHBondContact O-N 2.89Å; R13-R16 PolarHBondContact O-N 3.46Å; R13-E17 PolarHBondContact O-N 2.91Å; R13-E17 VanDerWaalsContact O-N 3.15Å; R13-L293 HydrophobicContact CG-CD2 3.81Å; R13-L293 PolarHBondContact NH2-O 2.78Å
14F92.6Very high87.9Confident0 Ų049.1 Ų49.10%024%0.243CC..Hα-helixtrans-66-45.2-179.4-179.9-96.3000111F10 R16 E17 I18 L31 I36 L286 H289 L290 L293F10-F14 HydrophobicContact CE1-CB 4.19Å; F10-F14 HydrophobicContact CE1-CG 4.38Å; F10-F14 HydrophobicContact CE2-CB 4.24Å; F10-F14 HydrophobicContact CE2-CD2 4.44Å; F10-F14 HydrophobicContact CZ-CB 4.01Å; F10-F14 HydrophobicContact CZ-CD2 4.01Å; F10-F14 HydrophobicContact CZ-CG 4.05Å; F10-F14 WeakPolarHBondContact O-CB 3.4Å; F10-F14 PolarHBondContact O-N 3.46Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 3.39Å; F14-E17 WeakPolarHBondContact O-CB 3.36Å; F14-E17 PolarHBondContact O-N 3.02Å; F14-I18 HydrophobicContact CD1-CG1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 3.97Å; F14-I18 HydrophobicContact CE1-CG1 3.71Å; F14-I18 HydrophobicContact CZ-CD1 3.75Å; F14-I18 HydrophobicContact CZ-CG1 3.93Å; F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.42Å; F14-I18 VanDerWaalsContact O-N 3.07Å; F14-L31 HydrophobicContact CD1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD1 3.93Å; F14-L31 HydrophobicContact CE1-CD2 3.99Å; F14-I36 HydrophobicContact CD1-CD1 4.12Å; F14-I36 HydrophobicContact CE1-CD1 3.36Å; F14-I36 HydrophobicContact CE2-CD1 4.47Å; F14-I36 HydrophobicContact CZ-CD1 3.6Å; F14-L286 HydrophobicContact CE2-CD2 4.06Å; F14-L286 HydrophobicContact CZ-CD2 3.5Å; F14-H289 HydrophobicContact CE2-CB 4.1Å; F14-L290 HydrophobicContact CE2-CD2 4.3Å; F14-L293 HydrophobicContact CB-CD1 4.29Å; F14-L293 HydrophobicContact CD2-CD1 3.68Å; F14-L293 HydrophobicContact CG-CD1 4.48Å
15Y91.3Very high87.4Confident5 Ų553.4 Ų53.42%0.0226%0.255CS..Hα-helixtrans-63-39.1177.5-172.8-126.7000112.6S11 E17 I18 L19 L247 M250 F364 L377 H379S11-Y15 WeakPolarHBondContact O-CB 3.29Å; S11-Y15 PolarHBondContact O-N 3.34Å; Y15-E17 PolarHBondContact O-N 3.46Å; Y15-I18 WeakPolarHBondContact O-CB 3.39Å; Y15-I18 PolarHBondContact O-N 2.81Å; Y15-L19 HydrophobicContact CD1-CD1 3.96Å; Y15-L19 HydrophobicContact CD1-CG 4.46Å; Y15-L19 HydrophobicContact CE1-CD1 3.7Å; Y15-L19 HydrophobicContact CE1-CD2 4.45Å; Y15-L19 HydrophobicContact CE1-CG 4.21Å; Y15-L19 HydrophobicContact CE2-CD2 4.28Å; Y15-L19 HydrophobicContact CE2-CG 4.36Å; Y15-L19 WeakPolarHBondContact O-CG 3.07Å; Y15-L19 PolarHBondContact O-N 3Å; Y15-L247 HydrophobicContact CE1-CD2 4.06Å; Y15-L247 WeakPolarHBondContact OH-CD2 3.34Å; Y15-M250 HydrophobicContact CD1-CE 4.3Å; Y15-M250 HydrophobicContact CE1-CE 3.82Å; Y15-F364 HydrophobicContact CE1-CD2 4.23Å; Y15-F364 AromaticContact CE1-CE2 3.65Å; Y15-F364 HydrophobicContact CE1-CE2 3.65Å; Y15-F364 AromaticContact CZ-CE2 3.83Å; Y15-L377 HydrophobicContact CD1-CD1 4.16Å; Y15-L377 HydrophobicContact CD2-CD1 3.08Å; Y15-L377 HydrophobicContact CD2-CG 4.45Å; Y15-L377 HydrophobicContact CE2-CD1 3.52Å; Y15-L377 HydrophobicContact CG-CD1 3.42Å; Y15-L377 VanDerWaalsContact CG-CD1 3.42Å; Y15-L377 HydrophobicContact CG-CD2 4.24Å; Y15-L377 HydrophobicContact CG-CG 4.47Å; Y15-H379 AromaticContact CZ-ND1 3.96Å; Y15-H379 PolarHBondContact OH-ND1 2.74Å
16R91.5Very high87.2Confident88 Ų8849.7 Ų49.733%0.33224%0.239SC..Hα-helixtrans-58.7-37.5173-170.9-169.1-51.4-130.8-2.8112.2E12 R13 F14 L19 K20 C251E12-R16 WeakPolarHBondContact O-CB 3.26Å; E12-R16 PolarHBondContact O-N 2.93Å; E12-R16 VanDerWaalsContact O-N 3.15Å; R13-R16 PolarHBondContact O-N 3.46Å; F14-R16 VanDerWaalsContact C-N 3.32Å; F14-R16 PolarHBondContact O-N 3.39Å; R16-L19 PolarHBondContact O-N 3.41Å; R16-K20 WeakPolarHBondContact O-CG 3.42Å; R16-K20 PolarHBondContact O-N 2.95Å; R16-K20 VanDerWaalsContact O-N 3.11Å; R16-C251 HydrophobicContact CG-CB 4.35Å; R16-C251 PolarHBondContact NH1-O 3.28Å; R16-C251 PolarHBondContact NH2-O 2.89Å
17E91.3Very high87Confident22 Ų2254.2 Ų54.210%0.10326%0.259CS..Hα-helixtrans-66.9-42.2177.2-172.952.2-140.800111.9R13 F14 Y15 L19 K20 R21 E292 L293R13-E17 PolarHBondContact O-N 2.91Å; R13-E17 VanDerWaalsContact O-N 3.15Å; F14-E17 WeakPolarHBondContact O-CB 3.36Å; F14-E17 PolarHBondContact O-N 3.02Å; Y15-E17 PolarHBondContact O-N 3.46Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 2.75Å; E17-K20 PolarHBondContact O-N 3.18Å; E17-R21 PolarHBondContact O-N 3.26Å; E17-E292 VanDerWaalsContact CD-CB 3.5Å; E17-E292 HydrophobicContact CG-CB 4.03Å; E17-E292 VanDerWaalsContact OE1-CB 3.27Å; E17-E292 WeakPolarHBondContact OE1-CB 3.37Å; E17-E292 WeakPolarHBondContact OE1-CG 3.34Å; E17-L293 HydrophobicContact CB-CD2 4.23Å; E17-L293 HydrophobicContact CG-CD2 4.42Å
18I89.7Confident86.8Confident5 Ų555.7 Ų55.73%0.02627%0.268CS..Hα-helixtrans-57.6-47.1173.5-63.3-73.5000110.7F14 Y15 K20 R21 N22 T29 L31 L284 H289F14-I18 HydrophobicContact CD1-CG1 4.23Å; F14-I18 HydrophobicContact CE1-CD1 3.97Å; F14-I18 HydrophobicContact CE1-CG1 3.71Å; F14-I18 HydrophobicContact CZ-CD1 3.75Å; F14-I18 HydrophobicContact CZ-CG1 3.93Å; F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.42Å; F14-I18 VanDerWaalsContact O-N 3.07Å; Y15-I18 WeakPolarHBondContact O-CB 3.39Å; Y15-I18 PolarHBondContact O-N 2.81Å; I18-K20 PolarHBondContact O-N 2.98Å; I18-R21 PolarHBondContact O-N 3.26Å; I18-N22 PolarHBondContact O-N 2.99Å; I18-T29 HydrophobicContact CG2-CG2 4.21Å; I18-L31 HydrophobicContact CD1-CD2 4.39Å; I18-L31 HydrophobicContact CG1-CD2 4.02Å; I18-L31 HydrophobicContact CG2-CD2 4.46Å; I18-L284 HydrophobicContact CD1-CD2 3.77Å; I18-H289 VanDerWaalsContact CD1-CD2 3.46Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.37Å
19L89.2Confident86.7Confident21 Ų2155.7 Ų55.711%0.1127%0.265CS..Hα-helixtrans-64.5-37.7-179.1-67.2176.6000113.5Y15 R16 E17 R21 N22 L26 L247Y15-L19 HydrophobicContact CD1-CD1 3.96Å; Y15-L19 HydrophobicContact CD1-CG 4.46Å; Y15-L19 HydrophobicContact CE1-CD1 3.7Å; Y15-L19 HydrophobicContact CE1-CD2 4.45Å; Y15-L19 HydrophobicContact CE1-CG 4.21Å; Y15-L19 HydrophobicContact CE2-CD2 4.28Å; Y15-L19 HydrophobicContact CE2-CG 4.36Å; Y15-L19 WeakPolarHBondContact O-CG 3.07Å; Y15-L19 PolarHBondContact O-N 3Å; R16-L19 PolarHBondContact O-N 3.41Å; E17-L19 VanDerWaalsContact C-N 3.33Å; E17-L19 PolarHBondContact O-N 2.75Å; L19-R21 VanDerWaalsContact C-N 3.34Å; L19-R21 PolarHBondContact O-N 3.32Å; L19-N22 PolarHBondContact O-N 2.98Å; L19-L26 HydrophobicContact CD2-CD2 4.28Å; L19-L247 HydrophobicContact CD1-CB 4Å; L19-L247 HydrophobicContact CD1-CD2 4.44Å; L19-L247 HydrophobicContact CD2-CD1 3.84Å
20K87.5Confident86.5Confident135 Ų13553.1 Ų53.159%0.58725%0.251SS*.Hα-helixtrans-63.3-39.7178.4-76.9174.3179.51790112.5R16 E17 I18 N22 E23R16-K20 WeakPolarHBondContact O-CG 3.42Å; R16-K20 PolarHBondContact O-N 2.95Å; R16-K20 VanDerWaalsContact O-N 3.11Å; E17-K20 PolarHBondContact O-N 3.18Å; I18-K20 PolarHBondContact O-N 2.98Å; K20-N22 VanDerWaalsContact C-N 3.31Å; K20-N22 PolarHBondContact O-N 3.42Å; K20-E23 PolarHBondContact O-N 3.26Å
21R81.5Confident86.4Confident98 Ų9853.1 Ų53.137%0.3725%0.251SS..Hα-helixtrans-72-23.4-177.5-93.1-179171.2-90.1-17.4114.3E17 I18 L19 E23 H289 E292E17-R21 PolarHBondContact O-N 3.26Å; I18-R21 PolarHBondContact O-N 3.26Å; L19-R21 VanDerWaalsContact C-N 3.34Å; L19-R21 PolarHBondContact O-N 3.32Å; R21-E23 PolarHBondContact O-N 3.08Å; R21-H289 VanDerWaalsContact CD-CD2 3.41Å; R21-H289 WeakPolarHBondContact CD-CD2 3.39Å; R21-H289 WeakPolarHBondContact CD-NE2 3.44Å; R21-E292 IonicContact NH2-OE1 2.75Å; R21-E292 PolarHBondContact NH2-OE1 3.08Å; R21-E292 VanDerWaalsContact NH2-OE1 3.17Å
22N77.6Confident86.4Confident48 Ų4853.1 Ų53.126%0.25725%0.251SS..THydrogen-bonded Turntrans-72.7-4.8177.8-74.91.4000112.9I18 L19 K20 G24 Y25I18-N22 PolarHBondContact O-N 2.99Å; L19-N22 PolarHBondContact O-N 2.98Å; K20-N22 VanDerWaalsContact C-N 3.31Å; K20-N22 PolarHBondContact O-N 3.42Å; N22-G24 PolarHBondContact O-N 3.08Å; N22-Y25 WeakPolarHBondContact CB-O 3.46Å; N22-Y25 PolarHBondContact O-N 2.96Å
23E70.8Confident86.5Confident187 Ų18751.2 Ų51.287%0.87424%0.243SC*.THydrogen-bonded Turntrans48.829174.4-64.4-171.8169.900114.8K20 R21K20-E23 PolarHBondContact O-N 3.26Å; R21-E23 PolarHBondContact O-N 3.08Å
24G70.1Confident86.5Confident67 Ų6747.6 Ų47.669%0.69123%0.229SC*.THydrogen-bonded Turntrans89.4-8.4-178.300000115.3N22 L26N22-G24 PolarHBondContact O-N 3.08Å; G24-L26 PolarHBondContact O-N 3.29Å
25Y78Confident86.5Confident161 Ų16147.6 Ų47.663%0.63123%0.229SC*.  trans-86.198.3170.8-175.5-106.8000109.9N22 E27N22-Y25 WeakPolarHBondContact CB-O 3.46Å; N22-Y25 PolarHBondContact O-N 2.96Å; Y25-E27 HydrophobicContact CD1-CG 3.91Å; Y25-E27 VanDerWaalsContact CE1-CD 3.49Å; Y25-E27 HydrophobicContact CE1-CG 3.3Å; Y25-E27 WeakPolarHBondContact CE1-OE1 3.42Å; Y25-E27 PolarHBondContact OH-OE1 3.41Å
26L84.6Confident86.7Confident22 Ų2247.4 Ų47.412%0.11523%0.228CC..  trans-88.1122.3179.2-61.2178.4000110L19 G24 L192 L243 P244 L247 T381L19-L26 HydrophobicContact CD2-CD2 4.28Å; G24-L26 PolarHBondContact O-N 3.29Å; L26-L192 HydrophobicContact CB-CD1 3.88Å; L26-L192 HydrophobicContact CD1-CD1 4.07Å; L26-L243 HydrophobicContact CD1-CD2 4.12Å; L26-L243 HydrophobicContact CD1-CG 4.16Å; L26-P244 HydrophobicContact CD1-CB 4.21Å; L26-P244 HydrophobicContact CD1-CG 3.8Å; L26-L247 HydrophobicContact CD1-CD1 3.76Å; L26-L247 HydrophobicContact CD2-CD1 4.08Å; L26-T381 HydrophobicContact CB-CG2 3.95Å
27E86.2Confident86.8Confident94 Ų9443.3 Ų43.344%0.43921%0.213SC..  trans-112164.3164.8-62.5-169147.800109.4Y25 T29 H379Y25-E27 HydrophobicContact CD1-CG 3.91Å; Y25-E27 VanDerWaalsContact CE1-CD 3.49Å; Y25-E27 HydrophobicContact CE1-CG 3.3Å; Y25-E27 WeakPolarHBondContact CE1-OE1 3.42Å; Y25-E27 PolarHBondContact OH-OE1 3.41Å; E27-T29 PolarHBondContact O-N 3.01Å; E27-T29 PolarHBondContact O-OG1 3.48Å; E27-T29 VanDerWaalsContact O-OG1 3.06Å; E27-H379 PolarHBondContact O-CD2 3.01Å; E27-H379 PolarHBondContact O-NE2 2.79Å
28N89Confident87Confident33 Ų3342.3 Ų42.318%0.17621%0.208CC..  trans-47.9117.4170.9-76.60.5000111.3L278 H379 T381 T382N28-L278 HydrophobicContact CB-CD2 4.09Å; N28-H379 WeakPolarHBondContact CA-O 3.22Å; N28-T381 PolarHBondContact N-OG1 2.99Å; N28-T381 PolarHBondContact OD1-N 3.04Å; N28-T381 PolarHBondContact OD1-OG1 3.11Å; N28-T382 PolarHBondContact ND2-O 2.61Å; N28-T382 PolarHBondContact OD1-N 3.16Å; N28-T382 PolarHBondContact OD1-O 2.88Å
29T88.5Confident87.3Confident10 Ų1042 Ų426%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-122.7128.2179-60.90000107.8I18 E27 L31 G378 H379I18-T29 HydrophobicContact CG2-CG2 4.21Å; E27-T29 PolarHBondContact O-N 3.01Å; E27-T29 PolarHBondContact O-OG1 3.48Å; E27-T29 VanDerWaalsContact O-OG1 3.06Å; T29-L31 HydrophobicContact CG2-CD2 4.07Å; T29-G378 CarbonylContact O-C 3.56Å; T29-G378 WeakPolarHBondContact O-CA 3.45Å; T29-H379 WeakPolarHBondContact CB-CE1 3.33Å; T29-H379 PolarHBondContact N-O 3.44Å; T29-H379 PolarHBondContact O-N 3.25Å; T29-H379 PolarHBondContact OG1-CE1 2.87Å; T29-H379 PolarHBondContact OG1-NE2 2.85Å
30F88.1Confident87.6Confident2 Ų241.1 Ų41.11%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-145.1123.1170.9-168.3-106.4000109.3L278 L326 V365 F376F30-L278 HydrophobicContact CB-CB 3.82Å; F30-L278 HydrophobicContact CB-CD1 3.81Å; F30-L278 HydrophobicContact CB-CG 4.39Å; F30-L278 HydrophobicContact CD1-CB 4.5Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.11Å; F30-L278 HydrophobicContact CG-CD1 3.91Å; F30-L326 HydrophobicContact CD1-CB 3.82Å; F30-L326 HydrophobicContact CD2-CB 4.42Å; F30-L326 HydrophobicContact CD2-CD2 4.31Å; F30-L326 HydrophobicContact CE1-CB 3.31Å; F30-L326 HydrophobicContact CE1-CD2 4.49Å; F30-L326 HydrophobicContact CE1-CG 4.41Å; F30-L326 HydrophobicContact CE2-CB 3.97Å; F30-L326 HydrophobicContact CE2-CD2 3.61Å; F30-L326 HydrophobicContact CE2-CG 4.38Å; F30-L326 HydrophobicContact CG-CB 4.34Å; F30-L326 HydrophobicContact CZ-CB 3.37Å; F30-L326 HydrophobicContact CZ-CD1 4.36Å; F30-L326 HydrophobicContact CZ-CD2 3.71Å; F30-L326 HydrophobicContact CZ-CG 4Å; F30-V365 HydrophobicContact CD2-CG1 4.37Å; F30-F376 HydrophobicContact CD1-CD1 4.33Å; F30-F376 HydrophobicContact CE1-CB 3.95Å; F30-F376 AromaticContact CE1-CD1 3.32Å; F30-F376 HydrophobicContact CE1-CD1 3.32Å; F30-F376 HydrophobicContact CE1-CE1 4Å; F30-F376 AromaticContact CE1-CG 3.9Å; F30-F376 HydrophobicContact CE1-CG 3.9Å; F30-F376 HydrophobicContact CE2-CB 3.64Å; F30-F376 HydrophobicContact CE2-CG 4.44Å; F30-F376 HydrophobicContact CZ-CB 3.2Å; F30-F376 AromaticContact CZ-CD1 3.49Å; F30-F376 HydrophobicContact CZ-CD1 3.49Å; F30-F376 VanDerWaalsContact CZ-CD1 3.49Å; F30-F376 HydrophobicContact CZ-CE1 4.44Å; F30-F376 AromaticContact CZ-CG 3.53Å; F30-F376 HydrophobicContact CZ-CG 3.53Å
31L90.8Very high88Confident0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-145.8159.8-176.762.988.3000110.5F14 I18 T29 P33 I36 F376 L377F14-L31 HydrophobicContact CD1-CD1 4.13Å; F14-L31 HydrophobicContact CE1-CD1 3.93Å; F14-L31 HydrophobicContact CE1-CD2 3.99Å; I18-L31 HydrophobicContact CD1-CD2 4.39Å; I18-L31 HydrophobicContact CG1-CD2 4.02Å; I18-L31 HydrophobicContact CG2-CD2 4.46Å; T29-L31 HydrophobicContact CG2-CD2 4.07Å; L31-P33 HydrophobicContact CD1-CB 4.45Å; L31-P33 HydrophobicContact CD1-CG 3.64Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å; L31-I36 HydrophobicContact CD1-CD1 4.27Å; L31-F376 WeakPolarHBondContact O-CA 3.29Å; L31-L377 HydrophobicContact CD1-CD1 3.65Å; L31-L377 HydrophobicContact CD1-CG 4.21Å; L31-L377 HydrophobicContact CD2-CD1 4.45Å; L31-L377 HydrophobicContact CG-CD1 3.91Å; L31-L377 PolarHBondContact N-O 2.81Å; L31-L377 PolarHBondContact O-N 3.39Å
32S92.9Very high88.6Confident0 Ų030 Ų300%016%0.156CC..  trans-109.699.3173.5-179.10000110.1F34 N35 I36 T169 H322 S324 I375S32-F34 PolarHBondContact O-N 3.4Å; S32-N35 PolarHBondContact O-N 3Å; S32-N35 VanDerWaalsContact O-N 3.08Å; S32-N35 PolarHBondContact OG-N 3Å; S32-N35 VanDerWaalsContact OG-N 3.16Å; S32-I36 WeakPolarHBondContact O-CG1 3.34Å; S32-I36 PolarHBondContact O-N 3.02Å; S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; S32-H322 PolarHBondContact N-NE2 2.99Å; S32-S324 PolarHBondContact N-OG 2.87Å; S32-I375 VanDerWaalsContact CA-O 3.23Å; S32-I375 WeakPolarHBondContact CA-O 3.42Å; S32-I375 WeakPolarHBondContact CB-O 3.24Å; S32-I375 PolarHBondContact OG-O 2.94Å
33P93Very high89.5Confident0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-60.8-31.8175.1-16.630000111.3S11 L31 I36 Y37 I375 L377S11-P33 VanDerWaalsContact OG-CB 3.32Å; S11-P33 WeakPolarHBondContact OG-CB 3.35Å; L31-P33 HydrophobicContact CD1-CB 4.45Å; L31-P33 HydrophobicContact CD1-CG 3.64Å; L31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-I36 PolarHBondContact O-N 3.45Å; P33-Y37 WeakPolarHBondContact O-CB 3.27Å; P33-Y37 PolarHBondContact O-N 3Å; P33-I375 WeakPolarHBondContact CD-O 3.28Å; P33-L377 HydrophobicContact CG-CD1 4.24Å; P33-L377 HydrophobicContact CG-CD2 3.43Å; P33-L377 VanDerWaalsContact CG-CD2 3.43Å; P33-L377 HydrophobicContact CG-CG 3.56Å
34F92.6Very high90.6Very high2 Ų219.1 Ų19.11%0.00910%0.104CC..Hα-helixtrans-56.1-51.3171.8175.7-111.6000111.8L7 S32 I36 Y37 T38 L77 L78 F81 I375L7-F34 HydrophobicContact CD1-CD2 4.48Å; L7-F34 HydrophobicContact CD2-CD2 3.58Å; L7-F34 HydrophobicContact CD2-CE2 4.29Å; S32-F34 PolarHBondContact O-N 3.4Å; F34-I36 VanDerWaalsContact C-N 3.32Å; F34-I36 PolarHBondContact O-N 3.25Å; F34-Y37 WeakPolarHBondContact O-CB 3.43Å; F34-Y37 PolarHBondContact O-N 2.8Å; F34-Y37 VanDerWaalsContact O-N 3.15Å; F34-T38 HydrophobicContact CE1-CG2 4.19Å; F34-T38 HydrophobicContact CE2-CG2 4.21Å; F34-T38 HydrophobicContact CZ-CG2 4.01Å; F34-T38 WeakPolarHBondContact O-CG2 3.38Å; F34-T38 PolarHBondContact O-N 2.87Å; F34-L77 HydrophobicContact CE2-CB 3.95Å; F34-L77 HydrophobicContact CZ-CB 4.15Å; F34-L78 HydrophobicContact CE1-CD1 3.89Å; F34-L78 HydrophobicContact CZ-CB 4.24Å; F34-L78 HydrophobicContact CZ-CD1 4.21Å; F34-F81 AromaticContact CD1-CD1 3.93Å; F34-F81 HydrophobicContact CD1-CD1 3.93Å; F34-F81 HydrophobicContact CD1-CE1 4.25Å; F34-F81 HydrophobicContact CE1-CB 4.31Å; F34-F81 AromaticContact CE1-CD1 3.58Å; F34-F81 HydrophobicContact CE1-CD1 3.58Å; F34-F81 HydrophobicContact CE1-CE1 4.31Å; F34-F81 HydrophobicContact CE1-CG 4.18Å; F34-I375 HydrophobicContact CB-CG2 3.96Å; F34-I375 HydrophobicContact CD1-CG2 4.12Å; F34-I375 HydrophobicContact CG-CG2 4.31Å
35N92.1Very high91.7Very high0 Ų016.1 Ų16.10%07%0.072CC..Hα-helixtrans-73.7-24-178.7-155.230.3000113.4S32 T38 A39 I92 N94 S167 T168 T169S32-N35 PolarHBondContact O-N 3Å; S32-N35 VanDerWaalsContact O-N 3.08Å; S32-N35 PolarHBondContact OG-N 3Å; S32-N35 VanDerWaalsContact OG-N 3.16Å; N35-T38 VanDerWaalsContact C-OG1 3.32Å; N35-T38 WeakPolarHBondContact CA-OG1 3.46Å; N35-T38 PolarHBondContact O-OG1 2.86Å; N35-T38 PolarHBondContact OD1-OG1 3.01Å; N35-A39 PolarHBondContact O-N 3.22Å; N35-I92 WeakPolarHBondContact OD1-CG2 3.37Å; N35-N94 PolarHBondContact OD1-OD1 3.39Å; N35-N94 VanDerWaalsContact OD1-OD1 3.05Å; N35-S167 WeakPolarHBondContact CB-OG 3.48Å; N35-S167 PolarHBondContact ND2-OG 3.02Å; N35-S167 PolarHBondContact O-OG 2.75Å; N35-T168 VanDerWaalsContact ND2-C 3.25Å; N35-T168 PolarHBondContact ND2-N 2.87Å; N35-T168 VanDerWaalsContact ND2-N 3.18Å; N35-T168 PolarHBondContact ND2-O 3.37Å; N35-T169 HydrophobicContact CB-CG2 3.8Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.43Å
36I94.8Very high92.4Very high1 Ų18.4 Ų8.41%0.0054%0.042CC..Hα-helixtrans-69.9-41.5169.1-63.7173.5000109.6F10 F14 L31 S32 P33 F34 T38 A39 L40 L286 H322F10-I36 HydrophobicContact CE1-CB 4.41Å; F10-I36 HydrophobicContact CE1-CG2 4.15Å; F10-I36 HydrophobicContact CZ-CG2 3.86Å; F14-I36 HydrophobicContact CD1-CD1 4.12Å; F14-I36 HydrophobicContact CE1-CD1 3.36Å; F14-I36 HydrophobicContact CE2-CD1 4.47Å; F14-I36 HydrophobicContact CZ-CD1 3.6Å; L31-I36 HydrophobicContact CD1-CD1 4.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.34Å; S32-I36 PolarHBondContact O-N 3.02Å; P33-I36 PolarHBondContact O-N 3.45Å; F34-I36 VanDerWaalsContact C-N 3.32Å; F34-I36 PolarHBondContact O-N 3.25Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.25Å; I36-A39 WeakPolarHBondContact O-CB 3.45Å; I36-A39 PolarHBondContact O-N 2.56Å; I36-A39 VanDerWaalsContact O-N 3.16Å; I36-L40 WeakPolarHBondContact O-CG 3.3Å; I36-L40 PolarHBondContact O-N 2.82Å; I36-L286 HydrophobicContact CB-CD1 4.44Å; I36-L286 HydrophobicContact CD1-CD1 3.99Å; I36-L286 HydrophobicContact CD1-CD2 4.2Å; I36-L286 HydrophobicContact CG1-CD1 3.88Å; I36-L286 HydrophobicContact CG2-CD1 3.8Å; I36-H322 HydrophobicContact CD1-CB 4.42Å; I36-H322 HydrophobicContact CG1-CB 4.16Å
37Y95.3Very high92.8Very high2 Ų27.4 Ų7.41%0.0084%0.037CC..Hα-helixtrans-63.8-37.5177-170-90.8000112.2V3 S6 L7 F10 P33 F34 L40 G41 M59 L61 I74V3-Y37 HydrophobicContact CG1-CE1 4.09Å; S6-Y37 PolarHBondContact OG-OH 3.41Å; L7-Y37 HydrophobicContact CB-CE1 4.45Å; L7-Y37 HydrophobicContact CB-CE2 4.44Å; L7-Y37 HydrophobicContact CD1-CD1 4.06Å; L7-Y37 HydrophobicContact CD1-CD2 3.93Å; L7-Y37 HydrophobicContact CD1-CG 3.6Å; F10-Y37 HydrophobicContact CB-CD2 3.98Å; F10-Y37 HydrophobicContact CB-CE2 4.15Å; F10-Y37 AromaticContact CD1-CD2 3.64Å; F10-Y37 HydrophobicContact CD1-CD2 3.64Å; F10-Y37 HydrophobicContact CD1-CG 4.35Å; F10-Y37 HydrophobicContact CD2-CD2 4.45Å; F10-Y37 HydrophobicContact CE1-CD2 4.26Å; F10-Y37 AromaticContact CG-CD2 3.75Å; F10-Y37 HydrophobicContact CG-CD2 3.75Å; F10-Y37 HydrophobicContact CG-CE2 4.33Å; P33-Y37 WeakPolarHBondContact O-CB 3.27Å; P33-Y37 PolarHBondContact O-N 3Å; F34-Y37 WeakPolarHBondContact O-CB 3.43Å; F34-Y37 PolarHBondContact O-N 2.8Å; F34-Y37 VanDerWaalsContact O-N 3.15Å; Y37-L40 PolarHBondContact O-N 2.89Å; Y37-G41 PolarHBondContact O-N 2.91Å; Y37-M59 HydrophobicContact CD1-CE 3.93Å; Y37-M59 HydrophobicContact CD2-CB 4.44Å; Y37-M59 HydrophobicContact CD2-CE 3.8Å; Y37-M59 HydrophobicContact CD2-CG 4.4Å; Y37-M59 HydrophobicContact CE1-CE 3.68Å; Y37-M59 HydrophobicContact CE2-CB 3.76Å; Y37-M59 HydrophobicContact CE2-CE 3.57Å; Y37-M59 HydrophobicContact CE2-CG 4.15Å; Y37-M59 HydrophobicContact CG-CE 3.98Å; Y37-M59 VanDerWaalsContact CZ-CE 3.49Å; Y37-L61 WeakPolarHBondContact OH-CD2 3.14Å; Y37-I74 HydrophobicContact CD1-CD1 4.17Å; Y37-I74 HydrophobicContact CD1-CG1 4.38Å; Y37-I74 HydrophobicContact CE1-CD1 3.69Å; Y37-I74 HydrophobicContact CE1-CG1 3.9Å
38T94.6Very high93.1Very high0 Ų03.5 Ų3.50%02%0.021CC..Hα-helixtrans-63.3-42.9171.562.60000111.2F34 N35 I36 L40 G41 M42 I74 L78 Y116F34-T38 HydrophobicContact CE1-CG2 4.19Å; F34-T38 HydrophobicContact CE2-CG2 4.21Å; F34-T38 HydrophobicContact CZ-CG2 4.01Å; F34-T38 WeakPolarHBondContact O-CG2 3.38Å; F34-T38 PolarHBondContact O-N 2.87Å; N35-T38 VanDerWaalsContact C-OG1 3.32Å; N35-T38 WeakPolarHBondContact CA-OG1 3.46Å; N35-T38 PolarHBondContact O-OG1 2.86Å; N35-T38 PolarHBondContact OD1-OG1 3.01Å; I36-T38 VanDerWaalsContact C-N 3.34Å; I36-T38 PolarHBondContact O-N 3.25Å; T38-L40 PolarHBondContact O-N 3.08Å; T38-G41 CarbonylContact O-C 3.6Å; T38-G41 WeakPolarHBondContact O-CA 3.39Å; T38-G41 PolarHBondContact O-N 3.01Å; T38-G41 VanDerWaalsContact O-N 3.08Å; T38-M42 WeakPolarHBondContact O-CG 3.48Å; T38-M42 PolarHBondContact O-N 2.67Å; T38-I74 HydrophobicContact CG2-CG2 3.86Å; T38-L78 HydrophobicContact CG2-CD1 4.34Å; T38-Y116 WeakPolarHBondContact O-CD1 3.13Å; T38-Y116 VanDerWaalsContact O-CE1 3.31Å; T38-Y116 WeakPolarHBondContact O-CE1 3.14Å
39A95.8Very high93.3Very high0 Ų07.9 Ų7.90%04%0.044CC..Hα-helixtrans-61.5-42175.100000112.8N35 I36 G41 M42 I43 V165 V320N35-A39 PolarHBondContact O-N 3.22Å; I36-A39 WeakPolarHBondContact O-CB 3.45Å; I36-A39 PolarHBondContact O-N 2.56Å; I36-A39 VanDerWaalsContact O-N 3.16Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 2.86Å; A39-M42 HydrophobicContact CB-CE 4.08Å; A39-M42 WeakPolarHBondContact O-CB 3.34Å; A39-M42 PolarHBondContact O-N 3.19Å; A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 2.79Å; A39-I43 VanDerWaalsContact O-N 3.07Å; A39-V165 HydrophobicContact CB-CG1 3.96Å; A39-V320 HydrophobicContact CB-CG1 4.22Å
40L96.3Very high93.6Very high2 Ų211.4 Ų11.41%0.016%0.063CC..Hα-helixtrans-63.9-37.1172-65.8-178.9000111.8F10 I36 Y37 T38 M42 I43 L44 L55 M59 L290 I295F10-L40 HydrophobicContact CD2-CD1 4.5Å; F10-L40 HydrophobicContact CE2-CD1 3.56Å; F10-L40 HydrophobicContact CZ-CD1 3.58Å; I36-L40 WeakPolarHBondContact O-CG 3.3Å; I36-L40 PolarHBondContact O-N 2.82Å; Y37-L40 PolarHBondContact O-N 2.89Å; T38-L40 PolarHBondContact O-N 3.08Å; L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 3.28Å; L40-I43 HydrophobicContact CD2-CD1 4.31Å; L40-I43 PolarHBondContact O-N 2.64Å; L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 PolarHBondContact O-N 3.45Å; L40-L55 HydrophobicContact CD2-CD2 4.12Å; L40-M59 HydrophobicContact CB-CE 3.98Å; L40-M59 HydrophobicContact CB-CG 4.04Å; L40-M59 HydrophobicContact CB-SD 3.62Å; L40-M59 HydrophobicContact CD1-CG 3.93Å; L40-L290 HydrophobicContact CD1-CD2 4.08Å; L40-L290 HydrophobicContact CD2-CD1 3.94Å; L40-L290 HydrophobicContact CD2-CD2 3.99Å; L40-I295 HydrophobicContact CD1-CD1 4.28Å; L40-I295 HydrophobicContact CD2-CD1 3.96Å
41G95.1Very high93.9Very high0 Ų011.3 Ų11.30%06%0.062CC..Hα-helixtrans-60.8-39.3172.800000113.1Y37 T38 A39 L44 S45 H71 Y116Y37-G41 PolarHBondContact O-N 2.91Å; T38-G41 CarbonylContact O-C 3.6Å; T38-G41 WeakPolarHBondContact O-CA 3.39Å; T38-G41 PolarHBondContact O-N 3.01Å; T38-G41 VanDerWaalsContact O-N 3.08Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-G41 PolarHBondContact O-N 2.86Å; G41-L44 PolarHBondContact O-N 3.35Å; G41-S45 PolarHBondContact O-N 3Å; G41-H71 PolarHBondContact O-CE1 2.89Å; G41-Y116 VanDerWaalsContact C-OH 3.3Å; G41-Y116 WeakPolarHBondContact CA-OH 3.48Å; G41-Y116 PolarHBondContact O-OH 3.16Å
42M95.2Very high94.1Very high0 Ų014.1 Ų14.10%08%0.075CC..Hα-helixtrans-63-46.1172.8-63.8-167.8-76.300111.5T38 A39 L40 L44 S45 N94 I96 I112 Y116 A118 V165T38-M42 WeakPolarHBondContact O-CG 3.48Å; T38-M42 PolarHBondContact O-N 2.67Å; A39-M42 HydrophobicContact CB-CE 4.08Å; A39-M42 WeakPolarHBondContact O-CB 3.34Å; A39-M42 PolarHBondContact O-N 3.19Å; L40-M42 VanDerWaalsContact C-N 3.33Å; L40-M42 PolarHBondContact O-N 3.28Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 2.95Å; M42-S45 PolarHBondContact O-N 3.05Å; M42-S45 PolarHBondContact O-OG 2.87Å; M42-N94 HydrophobicContact CE-CB 3.87Å; M42-N94 HydrophobicContact SD-CB 4.13Å; M42-I96 HydrophobicContact CB-CD1 4.12Å; M42-I96 HydrophobicContact SD-CD1 4.37Å; M42-I96 HydrophobicContact SD-CG1 4.33Å; M42-I112 HydrophobicContact CB-CG2 4.36Å; M42-I112 HydrophobicContact CG-CG2 4.46Å; M42-Y116 HydrophobicContact CG-CD1 3.61Å; M42-Y116 HydrophobicContact CG-CD2 4.02Å; M42-Y116 HydrophobicContact CG-CE1 4.18Å; M42-Y116 HydrophobicContact CG-CG 3.51Å; M42-Y116 HydrophobicContact SD-CG 4.44Å; M42-A118 HydrophobicContact SD-CB 3.28Å; M42-A118 WeakPolarHBondContact SD-CB 3.39Å; M42-V165 HydrophobicContact CE-CG1 3.8Å
43I95.1Very high94.2Very high4 Ų416.6 Ų16.62%0.02110%0.095CC..Hα-helixtrans-61.9-43.8176.9-63.9169.5000110.3A39 L40 S45 G46 S47 L55 V165 F306 V317 V320A39-I43 WeakPolarHBondContact O-CG1 3.46Å; A39-I43 PolarHBondContact O-N 2.79Å; A39-I43 VanDerWaalsContact O-N 3.07Å; L40-I43 HydrophobicContact CD2-CD1 4.31Å; L40-I43 PolarHBondContact O-N 2.64Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 3.27Å; I43-G46 PolarHBondContact O-N 3.43Å; I43-S47 PolarHBondContact O-N 2.9Å; I43-S47 VanDerWaalsContact O-N 3.09Å; I43-L55 HydrophobicContact CG2-CD1 3.75Å; I43-L55 HydrophobicContact CG2-CD2 4.21Å; I43-V165 HydrophobicContact CD1-CB 4.42Å; I43-V165 HydrophobicContact CD1-CG1 4.48Å; I43-V165 HydrophobicContact CD1-CG2 4.03Å; I43-V165 HydrophobicContact CG1-CG1 4.49Å; I43-V165 HydrophobicContact CG1-CG2 3.89Å; I43-F306 HydrophobicContact CG2-CE1 3.55Å; I43-F306 HydrophobicContact CG2-CZ 3.84Å; I43-V317 HydrophobicContact CD1-CG2 4.4Å; I43-V317 HydrophobicContact CG1-CG2 4.38Å; I43-V317 HydrophobicContact CG2-CG2 4.34Å; I43-V320 HydrophobicContact CD1-CG2 3.69Å
44L95Very high94.3Very high1 Ų118.1 Ų18.11%0.00510%0.102CC..Hα-helixtrans-57.1-42177.7179.869.7000111.6L40 G41 M42 G46 S47 K52 L55 I56 M59 L61 I70L40-L44 VanDerWaalsContact O-CB 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.41Å; L40-L44 PolarHBondContact O-N 3.45Å; G41-L44 PolarHBondContact O-N 3.35Å; M42-L44 VanDerWaalsContact C-N 3.34Å; M42-L44 PolarHBondContact O-N 2.95Å; L44-G46 PolarHBondContact O-N 3.34Å; L44-G46 VanDerWaalsContact O-N 3.11Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 2.72Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.95Å; L44-K52 HydrophobicContact CD1-CG 3.84Å; L44-L55 HydrophobicContact CB-CD1 4.4Å; L44-L55 HydrophobicContact CD1-CB 3.81Å; L44-L55 HydrophobicContact CD1-CD1 4.38Å; L44-I56 HydrophobicContact CD1-CG1 3.92Å; L44-M59 HydrophobicContact CD2-SD 4.34Å; L44-L61 HydrophobicContact CD2-CD1 3.59Å; L44-I70 HydrophobicContact CD2-CG2 4.16Å
45S93.5Very high94.5Very high4 Ų418 Ų183%0.02810%0.101CC..Hα-helixtrans-58.8-26.4178.9790000113.4G41 M42 I43 H71 F108G41-S45 PolarHBondContact O-N 3Å; M42-S45 PolarHBondContact O-N 3.05Å; M42-S45 PolarHBondContact O-OG 2.87Å; I43-S45 VanDerWaalsContact C-N 3.29Å; I43-S45 PolarHBondContact O-N 3.27Å; S45-H71 VanDerWaalsContact CA-CE1 3.45Å; S45-H71 WeakPolarHBondContact CA-CE1 3.44Å; S45-H71 WeakPolarHBondContact CA-NE2 3.14Å; S45-H71 WeakPolarHBondContact CB-CE1 3.41Å; S45-H71 WeakPolarHBondContact CB-NE2 3.18Å; S45-F108 WeakPolarHBondContact OG-CD2 3.31Å; S45-F108 WeakPolarHBondContact OG-CE2 3.46Å
46G92.1Very high94.6Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-96.9-14.9179.400000115.8I43 L44 F306 N308I43-G46 PolarHBondContact O-N 3.43Å; L44-G46 PolarHBondContact O-N 3.34Å; L44-G46 VanDerWaalsContact O-N 3.11Å; G46-F306 CarbonylContact O-C 3.59Å; G46-F306 VanDerWaalsContact O-CA 3.29Å; G46-F306 WeakPolarHBondContact O-CA 3.27Å; G46-N308 WeakPolarHBondContact O-CB 2.89Å; G46-N308 PolarHBondContact O-N 2.88Å
47S93Very high94.6Very high0 Ų024.1 Ų24.10%013%0.131CC..  trans-82.5156.8-173.769.60000113.2I43 L44 K52 D305 N308I43-S47 PolarHBondContact O-N 2.9Å; I43-S47 VanDerWaalsContact O-N 3.09Å; L44-S47 WeakPolarHBondContact CA-OG 3.39Å; L44-S47 PolarHBondContact O-N 2.72Å; L44-S47 VanDerWaalsContact O-N 3.09Å; L44-S47 PolarHBondContact O-OG 2.95Å; S47-K52 WeakPolarHBondContact OG-CA 3.49Å; S47-K52 WeakPolarHBondContact OG-CB 3.31Å; S47-D305 CarbonylContact C-O 3.42Å; S47-D305 WeakPolarHBondContact CA-O 3.11Å; S47-N308 PolarHBondContact O-ND2 3.49Å
48A92.3Very high94.6Very high12 Ų1224 Ų2410%0.09913%0.13CC..  trans-139.1170.8169.500000111.5N50 T51 K52 D305 S307A48-N50 PolarHBondContact O-N 3.25Å; A48-T51 PolarHBondContact O-N 3.26Å; A48-K52 PolarHBondContact O-N 3.02Å; A48-K52 VanDerWaalsContact O-N 3.14Å; A48-D305 PolarHBondContact N-O 3.2Å; A48-S307 WeakPolarHBondContact CB-OG 3.45Å
49N92.9Very high94.6Very high125 Ų12524 Ų2467%0.66813%0.13SC*.Hα-helixtrans49.5-131.8172.8-61.6-44.1000113.7T51 K52 A53 D305N49-T51 PolarHBondContact O-N 3.14Å; N49-K52 WeakPolarHBondContact O-CB 3.49Å; N49-K52 PolarHBondContact O-N 3.03Å; N49-A53 PolarHBondContact O-N 3.24Å; N49-A53 VanDerWaalsContact O-N 3.1Å; N49-D305 PolarHBondContact ND2-OD2 2.74Å
50N94.9Very high94.5Very high85 Ų8528.8 Ų28.846%0.45515%0.148SC..Hα-helixtrans-65.7-37.9-175.3-16864.2000112.4A48 K52 A53 E54 D297A48-N50 PolarHBondContact O-N 3.25Å; N50-K52 PolarHBondContact O-N 3.24Å; N50-A53 WeakPolarHBondContact O-CB 3.29Å; N50-A53 PolarHBondContact O-N 2.97Å; N50-E54 PolarHBondContact ND2-OE1 3.04Å; N50-E54 VanDerWaalsContact ND2-OE1 3.14Å; N50-E54 WeakPolarHBondContact O-CG 3.36Å; N50-E54 PolarHBondContact O-N 3.27Å; N50-D297 WeakPolarHBondContact CB-OD2 3.37Å; N50-D297 PolarHBondContact ND2-OD2 3.09Å
51T94.9Very high94.3Very high0 Ų029.1 Ų29.10%015%0.15CC..Hα-helixtrans-55.6-41.7174.2-520000111.5A48 N49 L55 D297 A298 D305 F306A48-T51 PolarHBondContact O-N 3.26Å; N49-T51 PolarHBondContact O-N 3.14Å; T51-L55 HydrophobicContact CG2-CD1 4.34Å; T51-L55 WeakPolarHBondContact O-CD1 3.24Å; T51-L55 WeakPolarHBondContact O-CG 3.35Å; T51-L55 PolarHBondContact O-N 3.43Å; T51-D297 WeakPolarHBondContact OG1-CB 3.33Å; T51-A298 HydrophobicContact CG2-CB 3.94Å; T51-D305 PolarHBondContact OG1-N 2.87Å; T51-F306 HydrophobicContact CG2-CE1 4.22Å; T51-F306 HydrophobicContact CG2-CZ 4Å
52K94.2Very high93.7Very high59 Ų5930.7 Ų30.726%0.25716%0.16SC..Hα-helixtrans-66.3-42.9175.4-178.1173.9175178.80112.1L44 S47 A48 N49 N50 L55 I56L44-K52 HydrophobicContact CD1-CG 3.84Å; S47-K52 WeakPolarHBondContact OG-CA 3.49Å; S47-K52 WeakPolarHBondContact OG-CB 3.31Å; A48-K52 PolarHBondContact O-N 3.02Å; A48-K52 VanDerWaalsContact O-N 3.14Å; N49-K52 WeakPolarHBondContact O-CB 3.49Å; N49-K52 PolarHBondContact O-N 3.03Å; N50-K52 PolarHBondContact O-N 3.24Å; K52-L55 PolarHBondContact O-N 3.31Å; K52-I56 HydrophobicContact CG-CD1 3.93Å; K52-I56 HydrophobicContact CG-CG1 4.49Å; K52-I56 WeakPolarHBondContact O-CG1 3.45Å; K52-I56 PolarHBondContact O-N 3.45Å
53A94.7Very high92.8Very high52 Ų5237.4 Ų37.443%0.4320%0.196SC..Hα-helixtrans-62.7-43.2179.100000112.1N49 N50 L55 I56 E57N49-A53 PolarHBondContact O-N 3.24Å; N49-A53 VanDerWaalsContact O-N 3.1Å; N50-A53 WeakPolarHBondContact O-CB 3.29Å; N50-A53 PolarHBondContact O-N 2.97Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 2.77Å; A53-I56 PolarHBondContact O-N 3.26Å; A53-E57 PolarHBondContact O-N 2.87Å
54E96.7Very high91.9Very high31 Ų3143.3 Ų43.315%0.14524%0.236CC..Hα-helixtrans-60.1-42.6175.4-71.2-178.8171.500112N50 A58 G294 N296 D297N50-E54 PolarHBondContact ND2-OE1 3.04Å; N50-E54 VanDerWaalsContact ND2-OE1 3.14Å; N50-E54 WeakPolarHBondContact O-CG 3.36Å; N50-E54 PolarHBondContact O-N 3.27Å; E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.44Å; E54-G294 VanDerWaalsContact CD-O 3.32Å; E54-G294 WeakPolarHBondContact CG-O 3.48Å; E54-N296 PolarHBondContact OE2-N 2.83Å; E54-D297 WeakPolarHBondContact OE2-CB 3.26Å; E54-D297 PolarHBondContact OE2-N 3Å
55L95.8Very high90.9Very high0 Ų045.1 Ų45.10%025%0.246CC..Hα-helixtrans-64.9-44.6177-74.1162.1000111.9L40 I43 L44 T51 K52 A53 E57 A58 M59 I295L40-L55 HydrophobicContact CD2-CD2 4.12Å; I43-L55 HydrophobicContact CG2-CD1 3.75Å; I43-L55 HydrophobicContact CG2-CD2 4.21Å; L44-L55 HydrophobicContact CB-CD1 4.4Å; L44-L55 HydrophobicContact CD1-CB 3.81Å; L44-L55 HydrophobicContact CD1-CD1 4.38Å; T51-L55 HydrophobicContact CG2-CD1 4.34Å; T51-L55 WeakPolarHBondContact O-CD1 3.24Å; T51-L55 WeakPolarHBondContact O-CG 3.35Å; T51-L55 PolarHBondContact O-N 3.43Å; K52-L55 PolarHBondContact O-N 3.31Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 2.77Å; L55-E57 PolarHBondContact O-N 3.07Å; L55-A58 PolarHBondContact O-N 3.16Å; L55-M59 WeakPolarHBondContact O-CB 3.21Å; L55-M59 WeakPolarHBondContact O-CG 3.39Å; L55-M59 PolarHBondContact O-N 3.49Å; L55-I295 HydrophobicContact CD2-CD1 3.89Å; L55-I295 HydrophobicContact CD2-CG1 4.23Å; L55-I295 HydrophobicContact CD2-CG2 3.92Å; L55-I295 HydrophobicContact CG-CG2 4.31Å
56I94.7Very high90.4Very high27 Ų2751.9 Ų51.914%0.13828%0.277CS..Hα-helixtrans-59.1-48.1177.6-72.3171.3000110.6L44 K52 A53 M59 R60 L61L44-I56 HydrophobicContact CD1-CG1 3.92Å; K52-I56 HydrophobicContact CG-CD1 3.93Å; K52-I56 HydrophobicContact CG-CG1 4.49Å; K52-I56 WeakPolarHBondContact O-CG1 3.45Å; K52-I56 PolarHBondContact O-N 3.45Å; A53-I56 PolarHBondContact O-N 3.26Å; I56-M59 PolarHBondContact O-N 3.06Å; I56-R60 PolarHBondContact O-N 3.16Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.98Å; I56-L61 WeakPolarHBondContact CG2-O 3.34Å; I56-L61 PolarHBondContact O-N 3.36Å
57E94.9Very high89.9Confident103 Ų10354.6 Ų54.648%0.48129%0.289SS..Hα-helixtrans-65.8-44.2179.1178.755.6-144.300111.9A53 L55 M59 R60A53-E57 PolarHBondContact O-N 2.87Å; L55-E57 PolarHBondContact O-N 3.07Å; E57-M59 PolarHBondContact O-N 3Å; E57-R60 VanDerWaalsContact O-CD 3.31Å; E57-R60 WeakPolarHBondContact O-CD 3.46Å; E57-R60 PolarHBondContact O-N 3.2Å; E57-R60 VanDerWaalsContact O-N 3.11Å; E57-R60 IonicContact OE1-CZ 2.86Å; E57-R60 IonicContact OE1-NH1 3.18Å; E57-R60 PolarHBondContact OE1-NH1 3.4Å
58A95.4Very high89.5Confident0 Ų061 Ų610%032%0.32CS..Hα-helixtrans-63.2-42.6179.200000111.9E54 L55 R60 L293 I295E54-A58 WeakPolarHBondContact O-CB 3.37Å; E54-A58 PolarHBondContact O-N 3.44Å; L55-A58 PolarHBondContact O-N 3.16Å; A58-R60 PolarHBondContact O-N 3.12Å; A58-L293 HydrophobicContact CB-CB 4.39Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.41Å; A58-I295 VanDerWaalsContact CB-CG1 3.41Å
59M94.8Very high89.3Confident0 Ų066 Ų660%034%0.339CS..THydrogen-bonded Turntrans-75.2-5.7176.1-66.3177.575.300113.3Y37 L40 L44 L55 I56 E57 L61 I74Y37-M59 HydrophobicContact CD1-CE 3.93Å; Y37-M59 HydrophobicContact CD2-CB 4.44Å; Y37-M59 HydrophobicContact CD2-CE 3.8Å; Y37-M59 HydrophobicContact CD2-CG 4.4Å; Y37-M59 HydrophobicContact CE1-CE 3.68Å; Y37-M59 HydrophobicContact CE2-CB 3.76Å; Y37-M59 HydrophobicContact CE2-CE 3.57Å; Y37-M59 HydrophobicContact CE2-CG 4.15Å; Y37-M59 HydrophobicContact CG-CE 3.98Å; Y37-M59 VanDerWaalsContact CZ-CE 3.49Å; L40-M59 HydrophobicContact CB-CE 3.98Å; L40-M59 HydrophobicContact CB-CG 4.04Å; L40-M59 HydrophobicContact CB-SD 3.62Å; L40-M59 HydrophobicContact CD1-CG 3.93Å; L44-M59 HydrophobicContact CD2-SD 4.34Å; L55-M59 WeakPolarHBondContact O-CB 3.21Å; L55-M59 WeakPolarHBondContact O-CG 3.39Å; L55-M59 PolarHBondContact O-N 3.49Å; I56-M59 PolarHBondContact O-N 3.06Å; E57-M59 PolarHBondContact O-N 3Å; M59-L61 HydrophobicContact CB-CD1 3.83Å; M59-L61 HydrophobicContact CB-CG 3.86Å; M59-L61 HydrophobicContact CE-CD1 3.97Å; M59-L61 HydrophobicContact CG-CD1 4.46Å; M59-L61 PolarHBondContact O-N 2.82Å; M59-L61 HydrophobicContact SD-CD1 3.83Å; M59-I74 HydrophobicContact CE-CD1 4.42Å
60R93.2Very high89.3Confident100 Ų10060.3 Ų60.338%0.37731%0.308SS..THydrogen-bonded Turntrans56.331.5-175.8-53.8-62.6-67.4-170.6-6.1112.5M1 S6 N9 I56 E57 A58M1-R60 VanDerWaalsContact SD-O 3.39Å; S6-R60 WeakPolarHBondContact CB-O 3.35Å; N9-R60 HydrophobicContact CB-CB 4.24Å; N9-R60 HydrophobicContact CB-CG 4.15Å; I56-R60 PolarHBondContact O-N 3.16Å; E57-R60 VanDerWaalsContact O-CD 3.31Å; E57-R60 WeakPolarHBondContact O-CD 3.46Å; E57-R60 PolarHBondContact O-N 3.2Å; E57-R60 VanDerWaalsContact O-N 3.11Å; E57-R60 IonicContact OE1-CZ 2.86Å; E57-R60 IonicContact OE1-NH1 3.18Å; E57-R60 PolarHBondContact OE1-NH1 3.4Å; A58-R60 PolarHBondContact O-N 3.12Å
61L91.1Very high89.2Confident8 Ų856.4 Ų56.44%0.04229%0.288CS..  trans-72138.6176.1-77.6165.4000109Y37 L44 I56 M59 I70Y37-L61 WeakPolarHBondContact OH-CD2 3.14Å; L44-L61 HydrophobicContact CD2-CD1 3.59Å; I56-L61 HydrophobicContact CB-CB 4.48Å; I56-L61 HydrophobicContact CG2-CB 3.98Å; I56-L61 WeakPolarHBondContact CG2-O 3.34Å; I56-L61 PolarHBondContact O-N 3.36Å; M59-L61 HydrophobicContact CB-CD1 3.83Å; M59-L61 HydrophobicContact CB-CG 3.86Å; M59-L61 HydrophobicContact CE-CD1 3.97Å; M59-L61 HydrophobicContact CG-CD1 4.46Å; M59-L61 PolarHBondContact O-N 2.82Å; M59-L61 HydrophobicContact SD-CD1 3.83Å; L61-I70 HydrophobicContact CD1-CD1 4.29Å; L61-I70 HydrophobicContact CD1-CG2 4.05Å; L61-I70 HydrophobicContact CD2-CD1 4.31Å; L61-I70 HydrophobicContact CD2-CG1 4.27Å; L61-I70 HydrophobicContact CD2-CG2 3.89Å
62P84.5Confident89.2Confident34 Ų3457.9 Ų57.922%0.22130%0.298CS..  trans-69.3134.6174.430.9-39.1000111.3M1 C64 L65M1-P62 HydrophobicContact CB-CB 4.5Å; M1-P62 WeakPolarHBondContact O-CG 2.94Å; P62-C64 PolarHBondContact O-N 2.62Å; P62-C64 VanDerWaalsContact O-N 3.1Å; P62-L65 HydrophobicContact CB-CG 4.48Å; P62-L65 HydrophobicContact CG-CB 4.04Å; P62-L65 HydrophobicContact CG-CD1 3.18Å; P62-L65 HydrophobicContact CG-CG 3.38Å; P62-L65 PolarHBondContact O-N 2.72Å; P62-L65 VanDerWaalsContact O-N 3.13Å
63D76.3Confident89.1Confident140 Ų14056.5 Ų56.575%0.74930%0.296SS*.THydrogen-bonded Turntrans-58.1-28.4-178.5-61.7-39.4000114L65D63-L65 VanDerWaalsContact C-N 3.35Å
64C74.8Confident89Confident128 Ų12854 Ų5487%0.86528%0.275SS*.THydrogen-bonded Turntrans-83.3-5.4-176.2-55.50000114.1P62P62-C64 PolarHBondContact O-N 2.62Å; P62-C64 VanDerWaalsContact O-N 3.1Å
65L75.5Confident88.9Confident39 Ų3953.1 Ų53.120%0.20427%0.274CS..SBendtrans-77.5128.7179-82.7178.3000110.9V3 P62 D63 Q67 K69 I70V3-L65 HydrophobicContact CG2-CD1 4.33Å; P62-L65 HydrophobicContact CB-CG 4.48Å; P62-L65 HydrophobicContact CG-CB 4.04Å; P62-L65 HydrophobicContact CG-CD1 3.18Å; P62-L65 HydrophobicContact CG-CG 3.38Å; P62-L65 PolarHBondContact O-N 2.72Å; P62-L65 VanDerWaalsContact O-N 3.13Å; D63-L65 VanDerWaalsContact C-N 3.35Å; L65-Q67 PolarHBondContact O-N 3.35Å; L65-K69 HydrophobicContact CD2-CD 3.89Å; L65-K69 HydrophobicContact CD2-CG 4.37Å; L65-I70 HydrophobicContact CB-CD1 3.98Å; L65-I70 HydrophobicContact CB-CG1 3.78Å; L65-I70 HydrophobicContact CD1-CG1 4.17Å
66E81.8Confident88.8Confident147 Ų14759.3 Ų59.369%0.68730%0.303SS*.  trans-60137.5169.5-67.4178178.300110.4E68 K69 I70E66-E68 VanDerWaalsContact C-N 3.3Å; E66-E68 PolarHBondContact O-N 3.2Å; E66-K69 HydrophobicContact CB-CB 4.25Å; E66-K69 WeakPolarHBondContact O-CA 3.49Å; E66-K69 WeakPolarHBondContact O-CB 3.36Å; E66-K69 PolarHBondContact O-N 3.09Å; E66-I70 PolarHBondContact O-N 2.92Å; E66-I70 VanDerWaalsContact O-N 3.08Å
67Q81Confident88.6Confident56 Ų5659 Ų5926%0.26230%0.302SS..Hα-helixtrans-59.5-40.6-175.2179.7170-5.500112.6L65 K69 I70 H71L65-Q67 PolarHBondContact O-N 3.35Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.89Å; Q67-I70 WeakPolarHBondContact O-CB 3.21Å; Q67-I70 PolarHBondContact O-N 2.95Å; Q67-H71 WeakPolarHBondContact CG-NE2 3.35Å; Q67-H71 PolarHBondContact NE2-NE2 3.04Å; Q67-H71 PolarHBondContact O-CD2 3.14Å; Q67-H71 PolarHBondContact O-N 3.48Å; Q67-H71 VanDerWaalsContact O-N 3.13Å
68E85.2Confident88.5Confident136 Ų13654.5 Ų54.564%0.63628%0.28SS*.Hα-helixtrans-61.4-38.6177-171.2171.6178.100111.6E66 H71 S72E66-E68 VanDerWaalsContact C-N 3.3Å; E66-E68 PolarHBondContact O-N 3.2Å; E68-H71 PolarHBondContact O-N 2.69Å; E68-S72 WeakPolarHBondContact O-CB 3.37Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 2.99Å
69K89.1Confident88.2Confident115 Ų11557.6 Ų57.650%0.531%0.306SS..Hα-helixtrans-67-35.4176.4-172.6171179.1177.70112.7L65 E66 Q67 S72 S73L65-K69 HydrophobicContact CD2-CD 3.89Å; L65-K69 HydrophobicContact CD2-CG 4.37Å; E66-K69 HydrophobicContact CB-CB 4.25Å; E66-K69 WeakPolarHBondContact O-CA 3.49Å; E66-K69 WeakPolarHBondContact O-CB 3.36Å; E66-K69 PolarHBondContact O-N 3.09Å; Q67-K69 VanDerWaalsContact C-N 3.27Å; Q67-K69 PolarHBondContact O-N 2.89Å; K69-S72 WeakPolarHBondContact CA-OG 3.46Å; K69-S72 PolarHBondContact O-OG 2.91Å; K69-S72 VanDerWaalsContact O-OG 3.13Å; K69-S73 VanDerWaalsContact O-CB 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.33Å; K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 PolarHBondContact O-OG 3.33Å; K69-S73 VanDerWaalsContact O-OG 3.12Å
70I91.6Very high88Confident6 Ų660.9 Ų60.93%0.03132%0.324CS..Hα-helixtrans-62.2-49.9174.1-63.6168.6000109.7L44 L61 L65 E66 Q67 S73 I74L44-I70 HydrophobicContact CD2-CG2 4.16Å; L61-I70 HydrophobicContact CD1-CD1 4.29Å; L61-I70 HydrophobicContact CD1-CG2 4.05Å; L61-I70 HydrophobicContact CD2-CD1 4.31Å; L61-I70 HydrophobicContact CD2-CG1 4.27Å; L61-I70 HydrophobicContact CD2-CG2 3.89Å; L65-I70 HydrophobicContact CB-CD1 3.98Å; L65-I70 HydrophobicContact CB-CG1 3.78Å; L65-I70 HydrophobicContact CD1-CG1 4.17Å; E66-I70 PolarHBondContact O-N 2.92Å; E66-I70 VanDerWaalsContact O-N 3.08Å; Q67-I70 WeakPolarHBondContact O-CB 3.21Å; Q67-I70 PolarHBondContact O-N 2.95Å; I70-S73 PolarHBondContact O-N 3.34Å; I70-I74 HydrophobicContact CG2-CD1 3.9Å; I70-I74 VanDerWaalsContact O-CG1 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.5Å; I70-I74 PolarHBondContact O-N 3.09Å
71H93.6Very high87.6Confident4 Ų456.1 Ų56.12%0.01931%0.306CS..Hα-helixtrans-65.2-42.9-179.5-61.2-47.3000112G41 S45 Q67 E68 I74 G75 Y115 Y116G41-H71 PolarHBondContact O-CE1 2.89Å; S45-H71 VanDerWaalsContact CA-CE1 3.45Å; S45-H71 WeakPolarHBondContact CA-CE1 3.44Å; S45-H71 WeakPolarHBondContact CA-NE2 3.14Å; S45-H71 WeakPolarHBondContact CB-CE1 3.41Å; S45-H71 WeakPolarHBondContact CB-NE2 3.18Å; Q67-H71 WeakPolarHBondContact CG-NE2 3.35Å; Q67-H71 PolarHBondContact NE2-NE2 3.04Å; Q67-H71 PolarHBondContact O-CD2 3.14Å; Q67-H71 PolarHBondContact O-N 3.48Å; Q67-H71 VanDerWaalsContact O-N 3.13Å; E68-H71 PolarHBondContact O-N 2.69Å; H71-I74 PolarHBondContact O-N 2.98Å; H71-G75 PolarHBondContact O-N 3.19Å; H71-Y115 HydrophobicContact CB-CD2 3.86Å; H71-Y115 HydrophobicContact CB-CE2 4.25Å; H71-Y115 HydrophobicContact CB-CG 4.05Å; H71-Y116 HydrophobicContact CB-CE2 4.34Å; H71-Y116 AromaticContact ND1-CE2 3.73Å; H71-Y116 AromaticContact ND1-CZ 3.69Å; H71-Y116 PolarHBondContact ND1-OH 2.78Å
72S93.9Very high87.2Confident31 Ų3158 Ų5822%0.21732%0.319CS..Hα-helixtrans-63.1-45.4177.972.60000111.9E68 K69 I74 G75 E76E68-S72 WeakPolarHBondContact O-CB 3.37Å; E68-S72 PolarHBondContact O-N 3.42Å; E68-S72 PolarHBondContact O-OG 2.99Å; K69-S72 WeakPolarHBondContact CA-OG 3.46Å; K69-S72 PolarHBondContact O-OG 2.91Å; K69-S72 VanDerWaalsContact O-OG 3.13Å; S72-I74 PolarHBondContact O-N 2.98Å; S72-G75 PolarHBondContact O-N 3.07Å; S72-E76 WeakPolarHBondContact O-CG 3.17Å; S72-E76 PolarHBondContact O-N 3.29Å
73S92.7Very high87.1Confident30 Ų3062.4 Ų62.421%0.2134%0.335CS..Hα-helixtrans-65.3-39.7178.4-69.90000112.7K69 I70 G75 E76 L77K69-S73 VanDerWaalsContact O-CB 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.33Å; K69-S73 PolarHBondContact O-N 2.88Å; K69-S73 PolarHBondContact O-OG 3.33Å; K69-S73 VanDerWaalsContact O-OG 3.12Å; I70-S73 PolarHBondContact O-N 3.34Å; S73-G75 VanDerWaalsContact C-N 3.32Å; S73-E76 PolarHBondContact O-N 3.04Å; S73-L77 VanDerWaalsContact O-CG 3.29Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 3.09Å; S73-L77 VanDerWaalsContact O-N 3.14Å
74I93.3Very high87Confident0 Ų063.7 Ų63.70%034%0.341CS..Hα-helixtrans-64.4-41.2173.8-64.8168.4000110.4V3 Y37 T38 M59 I70 H71 S72 L77 L78 Y116V3-I74 HydrophobicContact CG1-CG1 3.75Å; Y37-I74 HydrophobicContact CD1-CD1 4.17Å; Y37-I74 HydrophobicContact CD1-CG1 4.38Å; Y37-I74 HydrophobicContact CE1-CD1 3.69Å; Y37-I74 HydrophobicContact CE1-CG1 3.9Å; T38-I74 HydrophobicContact CG2-CG2 3.86Å; M59-I74 HydrophobicContact CE-CD1 4.42Å; I70-I74 HydrophobicContact CG2-CD1 3.9Å; I70-I74 VanDerWaalsContact O-CG1 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.5Å; I70-I74 PolarHBondContact O-N 3.09Å; H71-I74 PolarHBondContact O-N 2.98Å; S72-I74 PolarHBondContact O-N 2.98Å; I74-L77 PolarHBondContact O-N 3.18Å; I74-L78 WeakPolarHBondContact O-CB 3.17Å; I74-L78 PolarHBondContact O-N 2.84Å; I74-Y116 HydrophobicContact CB-CE1 4.23Å; I74-Y116 HydrophobicContact CD1-CE1 4.48Å; I74-Y116 HydrophobicContact CG2-CD1 4.23Å; I74-Y116 HydrophobicContact CG2-CE1 3.58Å
75G94.2Very high87.2Confident11 Ų1160.8 Ų60.811%0.11332%0.317CS..Hα-helixtrans-67.2-36179.100000114H71 S72 S73 L78 A79 Y115H71-G75 PolarHBondContact O-N 3.19Å; S72-G75 PolarHBondContact O-N 3.07Å; S73-G75 VanDerWaalsContact C-N 3.32Å; G75-L78 PolarHBondContact O-N 3.43Å; G75-A79 VanDerWaalsContact O-CB 3.28Å; G75-A79 WeakPolarHBondContact O-CB 3.41Å; G75-A79 PolarHBondContact O-N 3Å; G75-Y115 WeakPolarHBondContact CA-O 3.21Å
76E93.3Very high87.3Confident131 Ų13167 Ų6761%0.61235%0.345SS*.Hα-helixtrans-62.4-46.8172-75.6169-172.100111.2S72 S73 L78 A79 D80S72-E76 WeakPolarHBondContact O-CG 3.17Å; S72-E76 PolarHBondContact O-N 3.29Å; S73-E76 PolarHBondContact O-N 3.04Å; E76-L78 VanDerWaalsContact C-N 3.33Å; E76-L78 PolarHBondContact O-N 2.6Å; E76-A79 PolarHBondContact O-N 3.27Å; E76-D80 WeakPolarHBondContact O-CB 3.46Å; E76-D80 PolarHBondContact O-N 3.46Å
77L91.4Very high87.5Confident21 Ų2161.2 Ų61.211%0.1133%0.325CS..Hα-helixtrans-60.7-43.2175.5-67171.6000111.6V3 I4 F34 S73 I74 F81 W369V3-L77 HydrophobicContact CG1-CD1 3.95Å; I4-L77 HydrophobicContact CD1-CD2 4.27Å; I4-L77 HydrophobicContact CG1-CD1 4.23Å; I4-L77 HydrophobicContact CG1-CD2 4.14Å; F34-L77 HydrophobicContact CE2-CB 3.95Å; F34-L77 HydrophobicContact CZ-CB 4.15Å; S73-L77 VanDerWaalsContact O-CG 3.29Å; S73-L77 WeakPolarHBondContact O-CG 3.35Å; S73-L77 PolarHBondContact O-N 3.09Å; S73-L77 VanDerWaalsContact O-N 3.14Å; I74-L77 PolarHBondContact O-N 3.18Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 PolarHBondContact O-N 2.67Å; L77-W369 HydrophobicContact CD2-CH2 3.93Å; L77-W369 HydrophobicContact CD2-CZ3 3.74Å
78L91.7Very high87.9Confident7 Ų759.2 Ų59.24%0.03732%0.317CS..Hα-helixtrans-65.6-42.2179.2-176.464.9000111.7F34 T38 I74 G75 E76 S82 I92 Y116F34-L78 HydrophobicContact CE1-CD1 3.89Å; F34-L78 HydrophobicContact CZ-CB 4.24Å; F34-L78 HydrophobicContact CZ-CD1 4.21Å; T38-L78 HydrophobicContact CG2-CD1 4.34Å; I74-L78 WeakPolarHBondContact O-CB 3.17Å; I74-L78 PolarHBondContact O-N 2.84Å; G75-L78 PolarHBondContact O-N 3.43Å; E76-L78 VanDerWaalsContact C-N 3.33Å; E76-L78 PolarHBondContact O-N 2.6Å; L78-S82 VanDerWaalsContact O-CB 3.26Å; L78-S82 WeakPolarHBondContact O-CB 3.44Å; L78-S82 PolarHBondContact O-N 3.19Å; L78-S82 PolarHBondContact O-OG 2.93Å; L78-I92 HydrophobicContact CD1-CD1 3.55Å; L78-I92 HydrophobicContact CD1-CG2 4.17Å; L78-Y116 WeakPolarHBondContact CD2-O 3.05Å
79A90.4Very high88Confident66 Ų6656.6 Ų56.655%0.54530%0.304SS..Hα-helixtrans-66.8-40.4178.500000112.2G75 E76 K83G75-A79 VanDerWaalsContact O-CB 3.28Å; G75-A79 WeakPolarHBondContact O-CB 3.41Å; G75-A79 PolarHBondContact O-N 3Å; E76-A79 PolarHBondContact O-N 3.27Å; A79-K83 PolarHBondContact O-N 3.32Å
80D89.3Confident88Confident68 Ų6852.4 Ų52.436%0.36429%0.287SS..Hα-helixtrans-69-42.1177.3-164.726.3000111.5E76 S82 K83 W369E76-D80 WeakPolarHBondContact O-CB 3.46Å; E76-D80 PolarHBondContact O-N 3.46Å; D80-S82 PolarHBondContact O-N 3.27Å; D80-K83 VanDerWaalsContact O-CB 3.29Å; D80-K83 WeakPolarHBondContact O-CB 3.23Å; D80-K83 PolarHBondContact O-N 3.44Å; D80-W369 HydrophobicContact CB-CH2 4.37Å; D80-W369 HydrophobicContact CB-CZ2 4.12Å; D80-W369 VanDerWaalsContact OD2-CZ2 3.25Å; D80-W369 WeakPolarHBondContact OD2-CZ2 3.4Å
81F85.4Confident87.8Confident1 Ų153.3 Ų53.30%0.00429%0.292CS..Hα-helixtrans-66.8-34.3176179-118.6000113F34 L77 K83 I90 I92 Y230 I375 F376F34-F81 AromaticContact CD1-CD1 3.93Å; F34-F81 HydrophobicContact CD1-CD1 3.93Å; F34-F81 HydrophobicContact CD1-CE1 4.25Å; F34-F81 HydrophobicContact CE1-CB 4.31Å; F34-F81 AromaticContact CE1-CD1 3.58Å; F34-F81 HydrophobicContact CE1-CD1 3.58Å; F34-F81 HydrophobicContact CE1-CE1 4.31Å; F34-F81 HydrophobicContact CE1-CG 4.18Å; L77-F81 WeakPolarHBondContact O-CB 3.47Å; L77-F81 PolarHBondContact O-N 2.67Å; F81-K83 VanDerWaalsContact C-N 3.28Å; F81-K83 PolarHBondContact O-N 2.86Å; F81-I90 HydrophobicContact CD1-CG2 4.18Å; F81-I90 HydrophobicContact CD2-CD1 3.99Å; F81-I90 HydrophobicContact CE1-CG2 3.53Å; F81-I90 HydrophobicContact CE2-CD1 3.46Å; F81-I90 VanDerWaalsContact CE2-CD1 3.46Å; F81-I90 HydrophobicContact CE2-CG1 4.19Å; F81-I90 HydrophobicContact CE2-CG2 4.25Å; F81-I90 HydrophobicContact CZ-CB 4.46Å; F81-I90 HydrophobicContact CZ-CD1 3.84Å; F81-I90 HydrophobicContact CZ-CG1 4.06Å; F81-I90 HydrophobicContact CZ-CG2 3.54Å; F81-I90 WeakPolarHBondContact O-CD1 3.44Å; F81-I92 HydrophobicContact CD1-CD1 3.31Å; F81-I92 HydrophobicContact CD1-CG1 4.48Å; F81-I92 HydrophobicContact CE1-CD1 3.43Å; F81-I92 VanDerWaalsContact CE1-CD1 3.43Å; F81-I92 HydrophobicContact CE1-CG1 4.21Å; F81-Y230 AromaticContact CD2-CE1 3.67Å; F81-Y230 HydrophobicContact CD2-CE1 3.67Å; F81-Y230 AromaticContact CD2-CZ 3.98Å; F81-Y230 WeakPolarHBondContact CD2-OH 3.37Å; F81-Y230 AromaticContact CE2-CE1 3.57Å; F81-Y230 HydrophobicContact CE2-CE1 3.57Å; F81-Y230 PolarHBondContact O-OH 3.09Å; F81-I375 HydrophobicContact CD2-CD1 3.22Å; F81-I375 HydrophobicContact CD2-CG2 4.42Å; F81-I375 HydrophobicContact CE1-CG2 3.9Å; F81-I375 HydrophobicContact CE2-CB 4.47Å; F81-I375 HydrophobicContact CE2-CD1 3.37Å; F81-I375 HydrophobicContact CE2-CG1 4.5Å; F81-I375 HydrophobicContact CE2-CG2 3.79Å; F81-I375 HydrophobicContact CG-CD1 3.89Å; F81-I375 HydrophobicContact CZ-CD1 4.15Å; F81-I375 HydrophobicContact CZ-CG2 3.54Å; F81-F376 HydrophobicContact CE2-CE2 4.49Å; F81-F376 AromaticContact CZ-CE2 3.75Å; F81-F376 HydrophobicContact CZ-CE2 3.75Å; F81-F376 HydrophobicContact CZ-CZ 4.2Å
82S81.7Confident87.6Confident46 Ų4654.4 Ų54.432%0.32230%0.297SS..THydrogen-bonded Turntrans-85.83.2178.4-48.50000113.5L78 D80 L84 I92L78-S82 VanDerWaalsContact O-CB 3.26Å; L78-S82 WeakPolarHBondContact O-CB 3.44Å; L78-S82 PolarHBondContact O-N 3.19Å; L78-S82 PolarHBondContact O-OG 2.93Å; D80-S82 PolarHBondContact O-N 3.27Å; S82-L84 PolarHBondContact O-N 3.42Å; S82-I92 VanDerWaalsContact OG-CD1 3.22Å; S82-I92 WeakPolarHBondContact OG-CD1 3.36Å
83K83.8Confident87.4Confident127 Ų12753 Ų5355%0.55229%0.288SS*.  trans-66.8125.4-178.9-171.7-178.4176.3-169.80108.9A79 D80 F81 D85A79-K83 PolarHBondContact O-N 3.32Å; D80-K83 VanDerWaalsContact O-CB 3.29Å; D80-K83 WeakPolarHBondContact O-CB 3.23Å; D80-K83 PolarHBondContact O-N 3.44Å; F81-K83 VanDerWaalsContact C-N 3.28Å; F81-K83 PolarHBondContact O-N 2.86Å; K83-D85 PolarHBondContact O-N 2.9Å
84L74.1Confident87.5Confident168 Ų16851.8 Ų51.888%0.8828%0.279SS*.  trans-59.5124.2171.4-75.8122.7000109.4S82S82-L84 PolarHBondContact O-N 3.42Å
85D77.6Confident87.5Confident67 Ų6751.8 Ų51.836%0.35828%0.279SS..BIsolated β-bridgetrans-130.4155.1175.1-138.2-37.7000109.4K83 G87 K229K83-D85 PolarHBondContact O-N 2.9Å; D85-G87 PolarHBondContact O-N 2.86Å; D85-K229 IonicContact OD2-NZ 3.41Å; D85-K229 PolarHBondContact OD2-NZ 2.85Å
86E79.1Confident87.6Confident168 Ų16851.6 Ų51.679%0.78528%0.275SS*.THydrogen-bonded Turntrans-67.9120.1179.8-74.6-177.2-177.800109.9I226E86-I226 WeakPolarHBondContact O-CG2 3.43Å
87G85.7Confident87.6Confident26 Ų2645.4 Ų45.427%0.26825%0.246SC..THydrogen-bonded Turntrans89.41.1174.400000116.3D85 L174D85-G87 PolarHBondContact O-N 2.86Å; G87-L174 VanDerWaalsContact O-CB 3.32Å; G87-L174 WeakPolarHBondContact O-CB 2.98Å; G87-L174 WeakPolarHBondContact O-CG 3.27Å; G87-L174 PolarHBondContact O-N 3.01Å
88V88.5Confident87.7Confident15 Ų1544.4 Ų44.49%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-126.1120.7170.4178.30000110.3I90 F171 F225 D227 Y230V88-I90 HydrophobicContact CG1-CD1 3.62Å; V88-I90 HydrophobicContact CG1-CG1 3.79Å; V88-F171 HydrophobicContact CG1-CD2 4.49Å; V88-F171 HydrophobicContact CG1-CE2 3.77Å; V88-F171 HydrophobicContact CG1-CZ 3.99Å; V88-F225 HydrophobicContact CG2-CB 4.3Å; V88-D227 HydrophobicContact CG2-CB 3.84Å; V88-Y230 HydrophobicContact CB-CD2 4.35Å; V88-Y230 HydrophobicContact CB-CE2 4.43Å; V88-Y230 HydrophobicContact CG1-CD2 4.01Å; V88-Y230 HydrophobicContact CG1-CE2 4Å; V88-Y230 HydrophobicContact CG2-CD2 4Å
89E87.6Confident87.8Confident80 Ų8044 Ų4437%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-100.3112.3173-174.6179.2-160.700109.6I91 Y170 K172E89-I91 HydrophobicContact CG-CD1 4.44Å; E89-I91 HydrophobicContact CG-CG1 4.23Å; E89-Y170 HydrophobicContact CB-CE1 4.44Å; E89-Y170 HydrophobicContact CG-CD1 4.4Å; E89-Y170 HydrophobicContact CG-CE1 4.02Å; E89-Y170 WeakPolarHBondContact OE2-CE1 3.29Å; E89-K172 HydrophobicContact CB-CB 4.43Å; E89-K172 PolarHBondContact N-O 3.35Å; E89-K172 PolarHBondContact O-N 2.97Å
90I88.5Confident87.7Confident27 Ų2745.1 Ų45.114%0.13823%0.233CC..EExtended strand (participates in β ladder)trans-120121.3173.2-68.7156.3000108.2F81 V88 I92 Y170 F171 Y230F81-I90 HydrophobicContact CD1-CG2 4.18Å; F81-I90 HydrophobicContact CD2-CD1 3.99Å; F81-I90 HydrophobicContact CE1-CG2 3.53Å; F81-I90 HydrophobicContact CE2-CD1 3.46Å; F81-I90 VanDerWaalsContact CE2-CD1 3.46Å; F81-I90 HydrophobicContact CE2-CG1 4.19Å; F81-I90 HydrophobicContact CE2-CG2 4.25Å; F81-I90 HydrophobicContact CZ-CB 4.46Å; F81-I90 HydrophobicContact CZ-CD1 3.84Å; F81-I90 HydrophobicContact CZ-CG1 4.06Å; F81-I90 HydrophobicContact CZ-CG2 3.54Å; F81-I90 WeakPolarHBondContact O-CD1 3.44Å; V88-I90 HydrophobicContact CG1-CD1 3.62Å; V88-I90 HydrophobicContact CG1-CG1 3.79Å; I90-I92 HydrophobicContact CG2-CD1 4.05Å; I90-I92 HydrophobicContact CG2-CG1 3.8Å; I90-Y170 WeakPolarHBondContact CA-O 3.36Å; I90-F171 HydrophobicContact CD1-CD2 4.09Å; I90-F171 HydrophobicContact CD1-CE2 4.03Å; I90-F171 HydrophobicContact CG1-CD2 3.63Å; I90-F171 HydrophobicContact CG1-CE2 4.01Å; I90-Y230 HydrophobicContact CD1-CE1 3.92Å; I90-Y230 HydrophobicContact CD1-CE2 3.93Å; I90-Y230 VanDerWaalsContact CD1-CZ 3.45Å; I90-Y230 VanDerWaalsContact CD1-OH 3.31Å; I90-Y230 WeakPolarHBondContact CD1-OH 3.3Å
91I88.5Confident87.6Confident25 Ų2546.5 Ų46.513%0.12824%0.24CC..EExtended strand (participates in β ladder)trans-116.5126.5174.5-55.3172.7000108.7E89 Q143 T144 T169 Y170E89-I91 HydrophobicContact CG-CD1 4.44Å; E89-I91 HydrophobicContact CG-CG1 4.23Å; I91-Q143 WeakPolarHBondContact CG2-O 3.48Å; I91-T144 HydrophobicContact CG2-CG2 4.47Å; I91-T169 CarbonylContact O-C 3.46Å; I91-T169 VanDerWaalsContact O-CA 3.28Å; I91-T169 WeakPolarHBondContact O-CA 3.28Å; I91-Y170 HydrophobicContact CD1-CD1 4.01Å; I91-Y170 HydrophobicContact CG1-CD1 4.19Å; I91-Y170 PolarHBondContact N-O 3.45Å; I91-Y170 PolarHBondContact O-N 2.71Å
92I89.1Confident87.7Confident27 Ų2746.7 Ų46.714%0.13824%0.242CC..EExtended strand (participates in β ladder)trans-123.6124.9179.4-46.1-174.8000109.4N35 L78 F81 S82 I90 T168 T169N35-I92 WeakPolarHBondContact OD1-CG2 3.37Å; L78-I92 HydrophobicContact CD1-CD1 3.55Å; L78-I92 HydrophobicContact CD1-CG2 4.17Å; F81-I92 HydrophobicContact CD1-CD1 3.31Å; F81-I92 HydrophobicContact CD1-CG1 4.48Å; F81-I92 HydrophobicContact CE1-CD1 3.43Å; F81-I92 VanDerWaalsContact CE1-CD1 3.43Å; F81-I92 HydrophobicContact CE1-CG1 4.21Å; S82-I92 VanDerWaalsContact OG-CD1 3.22Å; S82-I92 WeakPolarHBondContact OG-CD1 3.36Å; I90-I92 HydrophobicContact CG2-CD1 4.05Å; I90-I92 HydrophobicContact CG2-CG1 3.8Å; I92-T168 WeakPolarHBondContact CA-O 3.32Å; I92-T169 HydrophobicContact CB-CG2 4.4Å; I92-T169 HydrophobicContact CG1-CG2 4Å; I92-T169 HydrophobicContact CG2-CG2 4.08Å
93G89.7Confident88.1Confident1 Ų150.9 Ų50.91%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-116117.9174.100000110.2T168G93-T168 WeakPolarHBondContact CA-OG1 3.38Å; G93-T168 PolarHBondContact N-O 3.17Å; G93-T168 PolarHBondContact N-OG1 2.87Å; G93-T168 PolarHBondContact O-N 2.89Å; G93-T168 PolarHBondContact O-OG1 3.19Å
94N94Very high88.5Confident5 Ų545.6 Ų45.63%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-119.9132.4173.6-69.1-49.6000109.5N35 M42 Y116 A118 L119 W139N35-N94 PolarHBondContact OD1-OD1 3.39Å; N35-N94 VanDerWaalsContact OD1-OD1 3.05Å; M42-N94 HydrophobicContact CE-CB 3.87Å; M42-N94 HydrophobicContact SD-CB 4.13Å; N94-Y116 PolarHBondContact ND2-O 3.47Å; N94-A118 HydrophobicContact CB-CB 3.76Å; N94-A118 VanDerWaalsContact O-CA 3.27Å; N94-A118 WeakPolarHBondContact O-CA 3.36Å; N94-L119 PolarHBondContact O-N 3.49Å; N94-W139 WeakPolarHBondContact O-CH2 3.34Å
95G94.5Very high89.4Confident0 Ų041 Ų410%021%0.205CC..EExtended strand (participates in β ladder)trans-149.2145.5-175.500000113L119 V165 L166G95-L119 WeakPolarHBondContact CA-O 3.42Å; G95-V165 CarbonylContact O-C 3.56Å; G95-V165 WeakPolarHBondContact O-CA 3.25Å; G95-L166 PolarHBondContact N-O 2.96Å; G95-L166 PolarHBondContact O-N 3.16Å
96I95Very high90.1Very high8 Ų846.3 Ų46.34%0.04123%0.225CC..EExtended strand (participates in β ladder)trans-123.6119.8167.2-56.8-177.9000108.1M42 V98 F108 I112 L119 T120 E121 V164 V165M42-I96 HydrophobicContact CB-CD1 4.12Å; M42-I96 HydrophobicContact SD-CD1 4.37Å; M42-I96 HydrophobicContact SD-CG1 4.33Å; I96-V98 HydrophobicContact CG2-CG1 4.02Å; I96-F108 HydrophobicContact CD1-CE1 3.96Å; I96-F108 HydrophobicContact CD1-CZ 3.58Å; I96-I112 HydrophobicContact CD1-CD1 4.43Å; I96-L119 PolarHBondContact N-O 3.25Å; I96-T120 VanDerWaalsContact O-CA 3.31Å; I96-T120 WeakPolarHBondContact O-CA 3.28Å; I96-E121 PolarHBondContact O-N 3.37Å; I96-V164 WeakPolarHBondContact CA-O 3.25Å; I96-V165 HydrophobicContact CG1-CG1 4.42Å; I96-V165 HydrophobicContact CG1-CG2 4.31Å
97Y94.9Very high90.6Very high0 Ų045.1 Ų45.10%022%0.219CC..EExtended strand (participates in β ladder)trans-108.8128.2176.2-72.9-100000108.4E121 V123 I136 W139 A163 V164 L166Y97-E121 WeakPolarHBondContact CA-O 3.38Å; Y97-E121 HydrophobicContact CD1-CB 3.86Å; Y97-E121 HydrophobicContact CD1-CG 4.43Å; Y97-E121 HydrophobicContact CE1-CB 3.66Å; Y97-E121 HydrophobicContact CE1-CG 4.11Å; Y97-V123 HydrophobicContact CD1-CG1 3.67Å; Y97-V123 HydrophobicContact CD1-CG2 4.16Å; Y97-V123 HydrophobicContact CE1-CG1 4.15Å; Y97-I136 HydrophobicContact CD1-CD1 4.09Å; Y97-I136 HydrophobicContact CD1-CG1 3.53Å; Y97-I136 HydrophobicContact CD2-CD1 4.44Å; Y97-I136 HydrophobicContact CD2-CG1 4.05Å; Y97-I136 HydrophobicContact CE1-CG1 3.65Å; Y97-I136 HydrophobicContact CE2-CG1 4.19Å; Y97-I136 HydrophobicContact CG-CD1 3.94Å; Y97-I136 HydrophobicContact CG-CG1 3.72Å; Y97-W139 HydrophobicContact CE2-CE3 4.28Å; Y97-W139 VanDerWaalsContact OH-CB 3.24Å; Y97-W139 WeakPolarHBondContact OH-CB 3.37Å; Y97-W139 VanDerWaalsContact OH-CD2 3.23Å; Y97-A163 CarbonylContact O-C 3.6Å; Y97-A163 VanDerWaalsContact O-CA 3.22Å; Y97-A163 WeakPolarHBondContact O-CA 3.39Å; Y97-V164 PolarHBondContact N-O 3.26Å; Y97-V164 PolarHBondContact O-N 2.7Å; Y97-L166 HydrophobicContact CD2-CD1 3.59Å; Y97-L166 HydrophobicContact CD2-CG 4.09Å; Y97-L166 HydrophobicContact CE2-CD1 3.35Å; Y97-L166 HydrophobicContact CE2-CG 4.27Å
98V93.6Very high90.9Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-123.4158.1177.8-530000110.2I96 V102 I104 E121 H122 V123 A163 F310I96-V98 HydrophobicContact CG2-CG1 4.02Å; V98-V102 HydrophobicContact CB-CB 4.39Å; V98-V102 HydrophobicContact CB-CG1 4.43Å; V98-V102 HydrophobicContact CG2-CB 4.07Å; V98-V102 HydrophobicContact CG2-CG1 4.25Å; V98-I104 HydrophobicContact CG1-CD1 4.11Å; V98-I104 HydrophobicContact CG2-CD1 3.62Å; V98-I104 HydrophobicContact CG2-CG1 4.1Å; V98-E121 PolarHBondContact N-O 3.46Å; V98-H122 WeakPolarHBondContact CG2-ND1 3.46Å; V98-H122 WeakPolarHBondContact O-CA 3.41Å; V98-V123 PolarHBondContact O-N 3.15Å; V98-A163 HydrophobicContact CG1-CB 4.12Å; V98-F310 HydrophobicContact CG1-CE1 4.09Å; V98-F310 HydrophobicContact CG1-CZ 4.33Å
99N92.2Very high91.1Very high0 Ų046.6 Ų46.60%022%0.217CC..EExtended strand (participates in β ladder)trans-60.9148175.4-17167.5000112D101 V102 V123 F125 R126 S162N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact ND2-OD2 3.27Å; N99-D101 VanDerWaalsContact ND2-OD2 3.11Å; N99-D101 PolarHBondContact O-N 3.47Å; N99-D101 VanDerWaalsContact O-N 3.17Å; N99-V102 HydrophobicContact CB-CG2 4.08Å; N99-V102 VanDerWaalsContact O-CB 3.26Å; N99-V102 WeakPolarHBondContact O-CB 3.43Å; N99-V102 WeakPolarHBondContact O-CG2 3.11Å; N99-V102 PolarHBondContact O-N 3.39Å; N99-V102 VanDerWaalsContact O-N 3.08Å; N99-V123 CarbonylContact C-O 3.03Å; N99-V123 VanDerWaalsContact CA-O 3.29Å; N99-V123 WeakPolarHBondContact CA-O 3.47Å; N99-F125 HydrophobicContact CB-CD2 4.07Å; N99-F125 PolarHBondContact OD1-N 3.18Å; N99-R126 WeakPolarHBondContact ND2-CD 3.49Å; N99-R126 PolarHBondContact OD1-N 3.06Å; N99-R126 VanDerWaalsContact OD1-N 3.14Å; N99-S162 PolarHBondContact N-O 3.07Å
100E89.7Confident91.4Very high89 Ų8947.8 Ų47.842%0.41623%0.226SC..THydrogen-bonded Turntrans-55.3-33.6-174.161.4-173165.300115.3V102 V123 T127E100-V102 PolarHBondContact O-N 2.89Å; E100-V123 PolarHBondContact N-O 3.05Å; E100-T127 PolarHBondContact OE1-OG1 2.91Å
101D86.7Confident91.6Very high96 Ų9648 Ų4851%0.51323%0.227SC..THydrogen-bonded Turntrans-73.3-13.1-178.5-57-45000114N99 R126N99-D101 VanDerWaalsContact C-N 3.27Å; N99-D101 PolarHBondContact ND2-OD2 3.27Å; N99-D101 VanDerWaalsContact ND2-OD2 3.11Å; N99-D101 PolarHBondContact O-N 3.47Å; N99-D101 VanDerWaalsContact O-N 3.17Å; D101-R126 IonicContact OD2-NH1 3.11Å; D101-R126 PolarHBondContact OD2-NH1 2.75Å; D101-R126 VanDerWaalsContact OD2-NH1 3.11Å
102V88.1Confident91.9Very high6 Ų646.8 Ų46.84%0.03622%0.221CC..  trans-82.1132.7-166.3175.40000111.3V98 N99 E100 I104 H122 F310 L315V98-V102 HydrophobicContact CB-CB 4.39Å; V98-V102 HydrophobicContact CB-CG1 4.43Å; V98-V102 HydrophobicContact CG2-CB 4.07Å; V98-V102 HydrophobicContact CG2-CG1 4.25Å; N99-V102 HydrophobicContact CB-CG2 4.08Å; N99-V102 VanDerWaalsContact O-CB 3.26Å; N99-V102 WeakPolarHBondContact O-CB 3.43Å; N99-V102 WeakPolarHBondContact O-CG2 3.11Å; N99-V102 PolarHBondContact O-N 3.39Å; N99-V102 VanDerWaalsContact O-N 3.08Å; E100-V102 PolarHBondContact O-N 2.89Å; V102-I104 HydrophobicContact CG1-CG1 4.43Å; V102-H122 PolarHBondContact O-CE1 2.96Å; V102-H122 PolarHBondContact O-ND1 3.11Å; V102-F310 HydrophobicContact CG1-CD1 3.19Å; V102-F310 HydrophobicContact CG1-CE1 3.31Å; V102-F310 HydrophobicContact CG1-CG 4.2Å; V102-F310 HydrophobicContact CG1-CZ 4.38Å; V102-L315 HydrophobicContact CB-CD1 3.98Å; V102-L315 HydrophobicContact CG1-CD1 3.27Å; V102-L315 HydrophobicContact CG2-CD1 3.43Å; V102-L315 VanDerWaalsContact CG2-CD1 3.43Å; V102-L315 HydrophobicContact CG2-CD2 4.16Å; V102-L315 HydrophobicContact CG2-CG 4.45Å
103K90.4Very high92.1Very high134 Ų13452.9 Ų52.958%0.58325%0.246SC*.  trans-97.7113.1174.4-67.7-179.1-176.1171.70112.1F310 I311K103-F310 WeakPolarHBondContact O-CA 3.29Å; K103-I311 HydrophobicContact CB-CB 4.22Å; K103-I311 HydrophobicContact CB-CD1 4.11Å; K103-I311 HydrophobicContact CB-CG1 4.33Å; K103-I311 PolarHBondContact O-N 3.24Å; K103-I311 VanDerWaalsContact O-N 3.08Å
104I91Very high92.4Very high16 Ų1659.2 Ų59.28%0.08228%0.275CS..BIsolated β-bridgetrans-92134.2178.1-53175.4000110.9V98 V102 F108 K109 T120 I309 F310V98-I104 HydrophobicContact CG1-CD1 4.11Å; V98-I104 HydrophobicContact CG2-CD1 3.62Å; V98-I104 HydrophobicContact CG2-CG1 4.1Å; V102-I104 HydrophobicContact CG1-CG1 4.43Å; I104-F108 HydrophobicContact CG2-CD1 3.7Å; I104-F108 HydrophobicContact CG2-CE1 4.46Å; I104-K109 HydrophobicContact CG2-CD 4.41Å; I104-K109 HydrophobicContact CG2-CG 3.76Å; I104-T120 HydrophobicContact CD1-CG2 3.23Å; I104-I309 CarbonylContact C-O 3.44Å; I104-I309 WeakPolarHBondContact CA-O 3.39Å; I104-I309 HydrophobicContact CG2-CG2 4.12Å; I104-F310 HydrophobicContact CG1-CD1 4.44Å; I104-F310 HydrophobicContact CG1-CE1 4.31Å
105K92.3Very high92.4Very high72 Ų7260.7 Ų60.731%0.31328%0.281SS..  trans-63.2135.9174-70.9-179.5174.5-176.80111.3Q107 F108 K109 S307 N308 I309 F310 I311K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 3.31Å; K105-F108 HydrophobicContact CB-CB 4.49Å; K105-F108 PolarHBondContact O-N 3.03Å; K105-K109 PolarHBondContact O-N 2.89Å; K105-S307 VanDerWaalsContact CE-O 3.24Å; K105-S307 WeakPolarHBondContact CE-O 3.47Å; K105-S307 PolarHBondContact NZ-O 2.65Å; K105-N308 WeakPolarHBondContact CD-O 2.85Å; K105-I309 PolarHBondContact N-O 3.28Å; K105-F310 WeakPolarHBondContact CE-O 3.36Å; K105-I311 HydrophobicContact CG-CG1 3.7Å
106K92.3Very high92.4Very high178 Ų17860.7 Ų60.777%0.77428%0.281SS*.Hα-helixtrans-58.8-38.1177.1-67.7-175.8179.3-1790112.6F108 K109 N110K106-F108 VanDerWaalsContact C-N 3.34Å; K106-F108 PolarHBondContact O-N 3.19Å; K106-K109 PolarHBondContact O-N 3.03Å; K106-N110 VanDerWaalsContact O-CG 3.3Å; K106-N110 PolarHBondContact O-N 3.44Å; K106-N110 PolarHBondContact O-OD1 3.39Å
107Q91.1Very high92.3Very high142 Ų14266.6 Ų66.666%0.66431%0.312SS*.Hα-helixtrans-59.3-44.8178.8-176177.41.600111.8K105 N110 I111K105-Q107 VanDerWaalsContact C-N 3.27Å; K105-Q107 PolarHBondContact O-N 3.31Å; Q107-N110 PolarHBondContact O-N 2.82Å; Q107-I111 HydrophobicContact CG-CD1 4.11Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 3.21Å
108F92Very high92.3Very high2 Ų266.9 Ų66.91%0.00932%0.315CS..Hα-helixtrans-61.8-47.2176.1178.2-101.7000111.7S45 I96 I104 K105 K106 N110 I111 I112 I309S45-F108 WeakPolarHBondContact OG-CD2 3.31Å; S45-F108 WeakPolarHBondContact OG-CE2 3.46Å; I96-F108 HydrophobicContact CD1-CE1 3.96Å; I96-F108 HydrophobicContact CD1-CZ 3.58Å; I104-F108 HydrophobicContact CG2-CD1 3.7Å; I104-F108 HydrophobicContact CG2-CE1 4.46Å; K105-F108 HydrophobicContact CB-CB 4.49Å; K105-F108 PolarHBondContact O-N 3.03Å; K106-F108 VanDerWaalsContact C-N 3.34Å; K106-F108 PolarHBondContact O-N 3.19Å; F108-N110 PolarHBondContact O-N 3.44Å; F108-I111 PolarHBondContact O-N 2.83Å; F108-I111 VanDerWaalsContact O-N 3.14Å; F108-I112 HydrophobicContact CD1-CD1 3.56Å; F108-I112 HydrophobicContact CD2-CG2 4.33Å; F108-I112 HydrophobicContact CE1-CD1 3.31Å; F108-I112 HydrophobicContact CE1-CG2 4.21Å; F108-I112 HydrophobicContact CE2-CG2 3.88Å; F108-I112 HydrophobicContact CG-CD1 4.37Å; F108-I112 HydrophobicContact CZ-CD1 3.95Å; F108-I112 HydrophobicContact CZ-CG2 3.82Å; F108-I112 WeakPolarHBondContact O-CG1 3.3Å; F108-I112 PolarHBondContact O-N 3.14Å; F108-I309 HydrophobicContact CD1-CB 4.42Å; F108-I309 HydrophobicContact CD1-CG1 4.44Å; F108-I309 HydrophobicContact CD1-CG2 3.71Å; F108-I309 HydrophobicContact CD2-CB 4.47Å; F108-I309 HydrophobicContact CD2-CG1 3.84Å; F108-I309 HydrophobicContact CE1-CB 4.48Å; F108-I309 HydrophobicContact CE1-CD1 4.29Å; F108-I309 HydrophobicContact CE1-CG1 4.24Å; F108-I309 HydrophobicContact CE1-CG2 3.65Å; F108-I309 HydrophobicContact CE2-CD1 3.82Å; F108-I309 HydrophobicContact CE2-CG1 3.62Å; F108-I309 HydrophobicContact CG-CB 4.4Å; F108-I309 HydrophobicContact CG-CG1 4.24Å; F108-I309 HydrophobicContact CG-CG2 4.17Å; F108-I309 HydrophobicContact CZ-CD1 3.68Å; F108-I309 HydrophobicContact CZ-CG1 3.83Å; F108-I309 HydrophobicContact CZ-CG2 4.09Å
109K92.8Very high92.2Very high70 Ų7069.7 Ų69.730%0.30433%0.33SS..Hα-helixtrans-56-38175.3-65.1-164.7-176.9-162.90112.6I104 K105 K106 I112 K113 H122I104-K109 HydrophobicContact CG2-CD 4.41Å; I104-K109 HydrophobicContact CG2-CG 3.76Å; K105-K109 PolarHBondContact O-N 2.89Å; K106-K109 PolarHBondContact O-N 3.03Å; K109-I112 WeakPolarHBondContact O-CG1 3.39Å; K109-K113 WeakPolarHBondContact O-CB 3.45Å; K109-K113 PolarHBondContact O-N 3.25Å; K109-K113 VanDerWaalsContact O-N 3.16Å; K109-H122 PolarHBondContact NZ-NE2 3.11Å
110N93.4Very high92.2Very high105 Ų10570.9 Ų70.956%0.56134%0.337SS*.Hα-helixtrans-68.3-45.7177.6-69.2-8.3000111.6K106 Q107 F108 K113 Q114K106-N110 VanDerWaalsContact O-CG 3.3Å; K106-N110 PolarHBondContact O-N 3.44Å; K106-N110 PolarHBondContact O-OD1 3.39Å; Q107-N110 PolarHBondContact O-N 2.82Å; F108-N110 PolarHBondContact O-N 3.44Å; N110-K113 PolarHBondContact O-N 2.89Å; N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 3.4Å
111I93Very high92.4Very high32 Ų3268.4 Ų68.416%0.16433%0.326CS..Hα-helixtrans-61.3-50.9-179.4-69168.1000110.9Q107 F108 K113 Q114 Y115Q107-I111 HydrophobicContact CG-CD1 4.11Å; Q107-I111 WeakPolarHBondContact O-CG1 3.45Å; Q107-I111 PolarHBondContact O-N 3.21Å; F108-I111 PolarHBondContact O-N 2.83Å; F108-I111 VanDerWaalsContact O-N 3.14Å; I111-K113 VanDerWaalsContact C-N 3.35Å; I111-K113 PolarHBondContact O-N 3.33Å; I111-Q114 PolarHBondContact O-N 3.22Å; I111-Y115 HydrophobicContact CB-CD2 4.45Å; I111-Y115 HydrophobicContact CG2-CD2 3.88Å; I111-Y115 HydrophobicContact CG2-CE2 4.38Å; I111-Y115 WeakPolarHBondContact O-CD2 3.12Å; I111-Y115 PolarHBondContact O-N 3.1Å
112I94.2Very high92.8Very high0 Ų067.2 Ų67.20%032%0.317CS..Hα-helixtrans-67.3-34.8-178.265.5-157.9000112.8M42 I96 F108 K109 Y116 N117 A118 T120M42-I112 HydrophobicContact CB-CG2 4.36Å; M42-I112 HydrophobicContact CG-CG2 4.46Å; I96-I112 HydrophobicContact CD1-CD1 4.43Å; F108-I112 HydrophobicContact CD1-CD1 3.56Å; F108-I112 HydrophobicContact CD2-CG2 4.33Å; F108-I112 HydrophobicContact CE1-CD1 3.31Å; F108-I112 HydrophobicContact CE1-CG2 4.21Å; F108-I112 HydrophobicContact CE2-CG2 3.88Å; F108-I112 HydrophobicContact CG-CD1 4.37Å; F108-I112 HydrophobicContact CZ-CD1 3.95Å; F108-I112 HydrophobicContact CZ-CG2 3.82Å; F108-I112 WeakPolarHBondContact O-CG1 3.3Å; F108-I112 PolarHBondContact O-N 3.14Å; K109-I112 WeakPolarHBondContact O-CG1 3.39Å; I112-Y116 CarbonylContact O-C 3.58Å; I112-Y116 WeakPolarHBondContact O-CA 3.35Å; I112-Y116 VanDerWaalsContact O-CB 3.3Å; I112-Y116 WeakPolarHBondContact O-CB 3.27Å; I112-Y116 PolarHBondContact O-N 2.99Å; I112-Y116 VanDerWaalsContact O-N 3.09Å; I112-N117 PolarHBondContact O-N 3.21Å; I112-A118 HydrophobicContact CB-CB 4.39Å; I112-A118 PolarHBondContact O-N 2.93Å; I112-T120 WeakPolarHBondContact CD1-OG1 3.15Å
113K94.3Very high93.1Very high154 Ų15467.4 Ų67.467%0.6732%0.318SS*.Hα-helixtrans-68.7-45173.7-175174.4-177.81770111.7K109 N110 I111 N117K109-K113 WeakPolarHBondContact O-CB 3.45Å; K109-K113 PolarHBondContact O-N 3.25Å; K109-K113 VanDerWaalsContact O-N 3.16Å; N110-K113 PolarHBondContact O-N 2.89Å; I111-K113 VanDerWaalsContact C-N 3.35Å; I111-K113 PolarHBondContact O-N 3.33Å; K113-N117 WeakPolarHBondContact O-CA 3.11Å; K113-N117 PolarHBondContact O-N 3.42Å
114Q94Very high93.2Very high134 Ų13462.1 Ų62.163%0.62630%0.299SS*.Hα-helixtrans-70-47.3-174.5178.8179.2-19.500112.5N110 I111N110-Q114 WeakPolarHBondContact O-CB 3.35Å; N110-Q114 PolarHBondContact O-N 3.4Å; I111-Q114 PolarHBondContact O-N 3.22Å
115Y94.6Very high93.3Very high37 Ų3761.4 Ų61.415%0.14530%0.295CS..Hα-helixtrans-99-25-171.8-61-67.8000113.6H71 G75 I111H71-Y115 HydrophobicContact CB-CD2 3.86Å; H71-Y115 HydrophobicContact CB-CE2 4.25Å; H71-Y115 HydrophobicContact CB-CG 4.05Å; G75-Y115 WeakPolarHBondContact CA-O 3.21Å; I111-Y115 HydrophobicContact CB-CD2 4.45Å; I111-Y115 HydrophobicContact CG2-CD2 3.88Å; I111-Y115 HydrophobicContact CG2-CE2 4.38Å; I111-Y115 WeakPolarHBondContact O-CD2 3.12Å; I111-Y115 PolarHBondContact O-N 3.1Å
116Y95Very high93.2Very high0 Ų063.6 Ų63.60%030%0.302CS..Hα-helixtrans-115-1.6-173.3-61-89.7000113.5T38 G41 M42 H71 I74 L78 N94 I112 A118T38-Y116 WeakPolarHBondContact O-CD1 3.13Å; T38-Y116 VanDerWaalsContact O-CE1 3.31Å; T38-Y116 WeakPolarHBondContact O-CE1 3.14Å; G41-Y116 VanDerWaalsContact C-OH 3.3Å; G41-Y116 WeakPolarHBondContact CA-OH 3.48Å; G41-Y116 PolarHBondContact O-OH 3.16Å; M42-Y116 HydrophobicContact CG-CD1 3.61Å; M42-Y116 HydrophobicContact CG-CD2 4.02Å; M42-Y116 HydrophobicContact CG-CE1 4.18Å; M42-Y116 HydrophobicContact CG-CG 3.51Å; M42-Y116 HydrophobicContact SD-CG 4.44Å; H71-Y116 HydrophobicContact CB-CE2 4.34Å; H71-Y116 AromaticContact ND1-CE2 3.73Å; H71-Y116 AromaticContact ND1-CZ 3.69Å; H71-Y116 PolarHBondContact ND1-OH 2.78Å; I74-Y116 HydrophobicContact CB-CE1 4.23Å; I74-Y116 HydrophobicContact CD1-CE1 4.48Å; I74-Y116 HydrophobicContact CG2-CD1 4.23Å; I74-Y116 HydrophobicContact CG2-CE1 3.58Å; L78-Y116 WeakPolarHBondContact CD2-O 3.05Å; N94-Y116 PolarHBondContact ND2-O 3.47Å; I112-Y116 CarbonylContact O-C 3.58Å; I112-Y116 WeakPolarHBondContact O-CA 3.35Å; I112-Y116 VanDerWaalsContact O-CB 3.3Å; I112-Y116 WeakPolarHBondContact O-CB 3.27Å; I112-Y116 PolarHBondContact O-N 2.99Å; I112-Y116 VanDerWaalsContact O-N 3.09Å; Y116-A118 PolarHBondContact O-N 3.47Å
117N92.7Very high93.2Very high131 Ų13160 Ų6070%0.70129%0.294SS*.  trans45.836.4-171.7-166.735.1000112.3I112 K113I112-N117 PolarHBondContact O-N 3.21Å; K113-N117 WeakPolarHBondContact O-CA 3.11Å; K113-N117 PolarHBondContact O-N 3.42Å
118A94.2Very high93.3Very high7 Ų757 Ų576%0.05828%0.283CS..  trans-97141.5-169.400000112M42 N94 I112 Y116M42-A118 HydrophobicContact SD-CB 3.28Å; M42-A118 WeakPolarHBondContact SD-CB 3.39Å; N94-A118 HydrophobicContact CB-CB 3.76Å; N94-A118 VanDerWaalsContact O-CA 3.27Å; N94-A118 WeakPolarHBondContact O-CA 3.36Å; I112-A118 HydrophobicContact CB-CB 4.39Å; I112-A118 PolarHBondContact O-N 2.93Å; Y116-A118 PolarHBondContact O-N 3.47Å
119L92.1Very high93.4Very high58 Ų5858.4 Ų58.430%0.30429%0.293SS..EExtended strand (participates in β ladder)trans-77.7146.2171.5-178.963.9000110.5N94 G95 I96 E121 W139N94-L119 PolarHBondContact O-N 3.49Å; G95-L119 WeakPolarHBondContact CA-O 3.42Å; I96-L119 PolarHBondContact N-O 3.25Å; L119-E121 HydrophobicContact CD2-CB 4.32Å; L119-E121 HydrophobicContact CG-CB 4.41Å; L119-W139 HydrophobicContact CB-CZ2 3.77Å; L119-W139 HydrophobicContact CD2-CD2 4.22Å; L119-W139 HydrophobicContact CD2-CG 4.24Å; L119-W139 HydrophobicContact CD2-CZ2 4.12Å; L119-W139 VanDerWaalsContact CD2-NE1 3.27Å
120T92.5Very high93.5Very high25 Ų2558.6 Ų58.615%0.15330%0.295CS..EExtended strand (participates in β ladder)trans-125.3117.2165.5-50.20000109.8I96 I104 I112I96-T120 VanDerWaalsContact O-CA 3.31Å; I96-T120 WeakPolarHBondContact O-CA 3.28Å; I104-T120 HydrophobicContact CD1-CG2 3.23Å; I112-T120 WeakPolarHBondContact CD1-OG1 3.15Å
121E93.6Very high93.6Very high38 Ų3856.9 Ų56.918%0.17829%0.291CS..EExtended strand (participates in β ladder)trans-127.9149.1-176.3-167.5167.2145.100111.2I96 Y97 V98 L119 V123 R135I96-E121 PolarHBondContact O-N 3.37Å; Y97-E121 WeakPolarHBondContact CA-O 3.38Å; Y97-E121 HydrophobicContact CD1-CB 3.86Å; Y97-E121 HydrophobicContact CD1-CG 4.43Å; Y97-E121 HydrophobicContact CE1-CB 3.66Å; Y97-E121 HydrophobicContact CE1-CG 4.11Å; V98-E121 PolarHBondContact N-O 3.46Å; L119-E121 HydrophobicContact CD2-CB 4.32Å; L119-E121 HydrophobicContact CG-CB 4.41Å; E121-V123 HydrophobicContact CG-CG1 4.48Å; E121-R135 IonicContact OE1-CZ 2.8Å; E121-R135 IonicContact OE1-NE 3.65Å; E121-R135 PolarHBondContact OE1-NE 3.07Å; E121-R135 IonicContact OE1-NH2 3.45Å; E121-R135 PolarHBondContact OE1-NH2 3.23Å; E121-R135 IonicContact OE2-CZ 2.71Å; E121-R135 IonicContact OE2-NE 3.53Å; E121-R135 IonicContact OE2-NH2 3.46Å; E121-R135 PolarHBondContact OE2-NH2 2.81Å
122H94.3Very high93.7Very high70 Ų7055.4 Ų55.432%0.32428%0.284SS..EExtended strand (participates in β ladder)trans-99.7129.5174.3-68.6-87.6000108.4V98 V102 K109V98-H122 WeakPolarHBondContact CG2-ND1 3.46Å; V98-H122 WeakPolarHBondContact O-CA 3.41Å; V102-H122 PolarHBondContact O-CE1 2.96Å; V102-H122 PolarHBondContact O-ND1 3.11Å; K109-H122 PolarHBondContact NZ-NE2 3.11Å
123V94.6Very high93.8Very high10 Ų1056.8 Ų56.86%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-135.1158.4179.4-68.70000111.4Y97 V98 N99 E100 E121 F125 A132 R135Y97-V123 HydrophobicContact CD1-CG1 3.67Å; Y97-V123 HydrophobicContact CD1-CG2 4.16Å; Y97-V123 HydrophobicContact CE1-CG1 4.15Å; V98-V123 PolarHBondContact O-N 3.15Å; N99-V123 CarbonylContact C-O 3.03Å; N99-V123 VanDerWaalsContact CA-O 3.29Å; N99-V123 WeakPolarHBondContact CA-O 3.47Å; E100-V123 PolarHBondContact N-O 3.05Å; E121-V123 HydrophobicContact CG-CG1 4.48Å; V123-F125 VanDerWaalsContact C-N 3.31Å; V123-F125 HydrophobicContact CG2-CD1 3.89Å; V123-F125 HydrophobicContact CG2-CD2 3.89Å; V123-F125 HydrophobicContact CG2-CE1 3.46Å; V123-F125 VanDerWaalsContact CG2-CE1 3.46Å; V123-F125 HydrophobicContact CG2-CE2 3.48Å; V123-F125 VanDerWaalsContact CG2-CE2 3.48Å; V123-F125 HydrophobicContact CG2-CG 4.09Å; V123-F125 HydrophobicContact CG2-CZ 3.25Å; V123-F125 PolarHBondContact O-N 3.01Å; V123-A132 HydrophobicContact CB-CB 3.91Å; V123-A132 HydrophobicContact CG2-CB 4.01Å; V123-R135 HydrophobicContact CG1-CG 4.22Å
124A93.1Very high93.8Very high23 Ų2353.5 Ų53.519%0.1928%0.278CS..  trans-82.959.2-174.300000112.7R126 T127 D128A124-R126 VanDerWaalsContact C-N 3.33Å; A124-R126 PolarHBondContact O-N 2.99Å; A124-T127 VanDerWaalsContact CB-OG1 3.32Å; A124-T127 WeakPolarHBondContact CB-OG1 3.21Å; A124-D128 HydrophobicContact CB-CB 4.41Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 WeakPolarHBondContact O-CA 3.42Å; A124-D128 PolarHBondContact O-N 3.2Å
125F93.1Very high93.9Very high1 Ų151.1 Ų51.10%0.00426%0.264CS..THydrogen-bonded Turntrans-61.3-40.7-178.6-67.3-51.4000113.1N99 V123 A132 I136 L157 T161 V164N99-F125 HydrophobicContact CB-CD2 4.07Å; N99-F125 PolarHBondContact OD1-N 3.18Å; V123-F125 VanDerWaalsContact C-N 3.31Å; V123-F125 HydrophobicContact CG2-CD1 3.89Å; V123-F125 HydrophobicContact CG2-CD2 3.89Å; V123-F125 HydrophobicContact CG2-CE1 3.46Å; V123-F125 VanDerWaalsContact CG2-CE1 3.46Å; V123-F125 HydrophobicContact CG2-CE2 3.48Å; V123-F125 VanDerWaalsContact CG2-CE2 3.48Å; V123-F125 HydrophobicContact CG2-CG 4.09Å; V123-F125 HydrophobicContact CG2-CZ 3.25Å; V123-F125 PolarHBondContact O-N 3.01Å; F125-A132 HydrophobicContact CD1-CB 3.63Å; F125-A132 HydrophobicContact CE1-CB 3.88Å; F125-I136 HydrophobicContact CE1-CD1 3.88Å; F125-I136 HydrophobicContact CZ-CD1 4.08Å; F125-L157 HydrophobicContact CD1-CD1 4.1Å; F125-L157 HydrophobicContact CE1-CD1 3.74Å; F125-L157 HydrophobicContact CE1-CD2 4.49Å; F125-T161 HydrophobicContact CB-CG2 4.32Å; F125-T161 WeakPolarHBondContact CB-O 3.41Å; F125-T161 HydrophobicContact CD1-CG2 3.85Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 HydrophobicContact CE1-CG2 4.02Å; F125-T161 HydrophobicContact CE2-CG2 3.92Å; F125-T161 HydrophobicContact CG-CG2 3.73Å; F125-T161 HydrophobicContact CZ-CG2 4.04Å; F125-V164 HydrophobicContact CE1-CG2 4.18Å; F125-V164 HydrophobicContact CE2-CG2 4.32Å; F125-V164 HydrophobicContact CZ-CB 4.24Å; F125-V164 HydrophobicContact CZ-CG2 3.7Å
126R89.9Confident94Very high119 Ų11949.4 Ų49.445%0.44926%0.257SS..THydrogen-bonded Turntrans-72.3-36.4-177.2-72.3-178.9-179.1167-3.8113.8N99 D101 A124 Y159N99-R126 WeakPolarHBondContact ND2-CD 3.49Å; N99-R126 PolarHBondContact OD1-N 3.06Å; N99-R126 VanDerWaalsContact OD1-N 3.14Å; D101-R126 IonicContact OD2-NH1 3.11Å; D101-R126 PolarHBondContact OD2-NH1 2.75Å; D101-R126 VanDerWaalsContact OD2-NH1 3.11Å; A124-R126 VanDerWaalsContact C-N 3.33Å; A124-R126 PolarHBondContact O-N 2.99Å; R126-Y159 WeakPolarHBondContact CG-O 3.42Å
127T92.2Very high94Very high101 Ų10149.9 Ų49.962%0.6226%0.26SS*.THydrogen-bonded Turntrans-100-32.2-169.744.90000111.8E100 A124E100-T127 PolarHBondContact OE1-OG1 2.91Å; A124-T127 VanDerWaalsContact CB-OG1 3.32Å; A124-T127 WeakPolarHBondContact CB-OG1 3.21Å
128D94.1Very high94.2Very high80 Ų8048.4 Ų48.443%0.42825%0.248SC..  trans-154.478.1179.9-165.9-19.2000112A124 E130 C131 A132A124-D128 HydrophobicContact CB-CB 4.41Å; A124-D128 CarbonylContact O-C 3.58Å; A124-D128 WeakPolarHBondContact O-CA 3.42Å; A124-D128 PolarHBondContact O-N 3.2Å; D128-E130 VanDerWaalsContact C-N 3.27Å; D128-E130 PolarHBondContact O-N 2.75Å; D128-C131 HydrophobicContact CB-CB 3.93Å; D128-C131 PolarHBondContact O-N 3.23Å; D128-C131 VanDerWaalsContact OD1-CB 3.25Å; D128-C131 WeakPolarHBondContact OD1-CB 3.49Å; D128-C131 PolarHBondContact OD1-N 3Å; D128-C131 VanDerWaalsContact OD2-CB 3.22Å; D128-C131 WeakPolarHBondContact OD2-CB 3.43Å; D128-A132 PolarHBondContact O-N 3.47Å
129S94.1Very high94.2Very high32 Ų3248.9 Ų48.922%0.22425%0.249CC..Hα-helixtrans-62-31.6-177.858.50000113.5R133S129-R133 WeakPolarHBondContact O-CB 3.4Å; S129-R133 PolarHBondContact O-N 2.91Å
130E95Very high94.2Very high73 Ų7346.1 Ų46.134%0.34123%0.234SC..Hα-helixtrans-74.5-39.4178-76-56.6129.300112.1D128 A132 R133 N134D128-E130 VanDerWaalsContact C-N 3.27Å; D128-E130 PolarHBondContact O-N 2.75Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-R133 WeakPolarHBondContact O-CB 3.28Å; E130-R133 PolarHBondContact O-N 3.32Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 IonicContact OE2-CZ 2.94Å; E130-R133 IonicContact OE2-NE 3.17Å; E130-R133 PolarHBondContact OE2-NE 3.08Å; E130-R133 IonicContact OE2-NH2 3.79Å; E130-N134 VanDerWaalsContact O-CG 3.3Å; E130-N134 PolarHBondContact O-N 3.03Å; E130-N134 PolarHBondContact O-ND2 3.23Å
131C94.6Very high94.2Very high69 Ų6946.6 Ų46.647%0.46624%0.238SC..Hα-helixtrans-62.1-42.9170.9-175.30000111.1D128 R133 N134 R135D128-C131 HydrophobicContact CB-CB 3.93Å; D128-C131 PolarHBondContact O-N 3.23Å; D128-C131 VanDerWaalsContact OD1-CB 3.25Å; D128-C131 WeakPolarHBondContact OD1-CB 3.49Å; D128-C131 PolarHBondContact OD1-N 3Å; D128-C131 VanDerWaalsContact OD2-CB 3.22Å; D128-C131 WeakPolarHBondContact OD2-CB 3.43Å; C131-R133 VanDerWaalsContact C-N 3.34Å; C131-R133 PolarHBondContact O-N 2.8Å; C131-N134 PolarHBondContact O-N 2.86Å; C131-R135 WeakPolarHBondContact O-CB 3.46Å; C131-R135 PolarHBondContact O-N 3.07Å
132A95.3Very high94.2Very high2 Ų249.4 Ų49.42%0.01725%0.252CS..Hα-helixtrans-60-43.3174.200000112V123 F125 D128 E130 R135 I136V123-A132 HydrophobicContact CB-CB 3.91Å; V123-A132 HydrophobicContact CG2-CB 4.01Å; F125-A132 HydrophobicContact CD1-CB 3.63Å; F125-A132 HydrophobicContact CE1-CB 3.88Å; D128-A132 PolarHBondContact O-N 3.47Å; E130-A132 VanDerWaalsContact C-N 3.32Å; A132-R135 PolarHBondContact O-N 2.91Å; A132-I136 VanDerWaalsContact O-CG1 3.29Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 3.05Å
133R95.7Very high93.9Very high29 Ų2950 Ų5011%0.10926%0.255CS..Hα-helixtrans-57.7-51.2175-169.6-175.574.280.73.2111.7S129 E130 C131 R135 I136 N137 E150 I152 P153 L157S129-R133 WeakPolarHBondContact O-CB 3.4Å; S129-R133 PolarHBondContact O-N 2.91Å; E130-R133 WeakPolarHBondContact O-CB 3.28Å; E130-R133 PolarHBondContact O-N 3.32Å; E130-R133 IonicContact OE1-NE 2.72Å; E130-R133 IonicContact OE2-CZ 2.94Å; E130-R133 IonicContact OE2-NE 3.17Å; E130-R133 PolarHBondContact OE2-NE 3.08Å; E130-R133 IonicContact OE2-NH2 3.79Å; C131-R133 VanDerWaalsContact C-N 3.34Å; C131-R133 PolarHBondContact O-N 2.8Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 2.88Å; R133-I136 PolarHBondContact O-N 3.45Å; R133-N137 PolarHBondContact NH1-ND2 3.49Å; R133-N137 PolarHBondContact O-N 2.72Å; R133-E150 IonicContact NH1-OE1 2.7Å; R133-E150 PolarHBondContact NH1-OE1 3.2Å; R133-I152 HydrophobicContact CG-CB 3.97Å; R133-I152 HydrophobicContact CG-CG2 3.73Å; R133-I152 PolarHBondContact NH1-O 3.36Å; R133-P153 WeakPolarHBondContact CD-O 3.32Å; R133-L157 HydrophobicContact CB-CD1 4.01Å; R133-L157 HydrophobicContact CG-CD1 4.46Å
134N96Very high93.5Very high84 Ų8449.6 Ų49.645%0.44925%0.252SS..Hα-helixtrans-63.2-40.8-179.8-70-30000111.7E130 C131 I136 N137 Q138E130-N134 VanDerWaalsContact O-CG 3.3Å; E130-N134 PolarHBondContact O-N 3.03Å; E130-N134 PolarHBondContact O-ND2 3.23Å; C131-N134 PolarHBondContact O-N 2.86Å; N134-I136 PolarHBondContact O-N 3.06Å; N134-N137 PolarHBondContact O-N 3.45Å; N134-Q138 VanDerWaalsContact O-CB 3.27Å; N134-Q138 WeakPolarHBondContact O-CB 3.42Å; N134-Q138 PolarHBondContact O-N 3.24Å
135R95.9Very high93.3Very high85 Ų8554.6 Ų54.632%0.32128%0.276SS..Hα-helixtrans-61-44.2176.3176.758-177150.211.2111.8E121 V123 C131 A132 R133 W139E121-R135 IonicContact OE1-CZ 2.8Å; E121-R135 IonicContact OE1-NE 3.65Å; E121-R135 PolarHBondContact OE1-NE 3.07Å; E121-R135 IonicContact OE1-NH2 3.45Å; E121-R135 PolarHBondContact OE1-NH2 3.23Å; E121-R135 IonicContact OE2-CZ 2.71Å; E121-R135 IonicContact OE2-NE 3.53Å; E121-R135 IonicContact OE2-NH2 3.46Å; E121-R135 PolarHBondContact OE2-NH2 2.81Å; V123-R135 HydrophobicContact CG1-CG 4.22Å; C131-R135 WeakPolarHBondContact O-CB 3.46Å; C131-R135 PolarHBondContact O-N 3.07Å; A132-R135 PolarHBondContact O-N 2.91Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 2.88Å; R135-W139 PolarHBondContact O-N 2.82Å
136I95.6Very high93.1Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-63.9-50.8177.3-69.9164.8000110.6Y97 F125 A132 R133 N134 Q138 W139 V140 I152 L157 L166Y97-I136 HydrophobicContact CD1-CD1 4.09Å; Y97-I136 HydrophobicContact CD1-CG1 3.53Å; Y97-I136 HydrophobicContact CD2-CD1 4.44Å; Y97-I136 HydrophobicContact CD2-CG1 4.05Å; Y97-I136 HydrophobicContact CE1-CG1 3.65Å; Y97-I136 HydrophobicContact CE2-CG1 4.19Å; Y97-I136 HydrophobicContact CG-CD1 3.94Å; Y97-I136 HydrophobicContact CG-CG1 3.72Å; F125-I136 HydrophobicContact CE1-CD1 3.88Å; F125-I136 HydrophobicContact CZ-CD1 4.08Å; A132-I136 VanDerWaalsContact O-CG1 3.29Å; A132-I136 WeakPolarHBondContact O-CG1 3.48Å; A132-I136 PolarHBondContact O-N 3.05Å; R133-I136 PolarHBondContact O-N 3.45Å; N134-I136 PolarHBondContact O-N 3.06Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 3.41Å; I136-W139 PolarHBondContact O-N 3.46Å; I136-W139 VanDerWaalsContact O-N 3.16Å; I136-V140 HydrophobicContact CG2-CG2 4.39Å; I136-V140 WeakPolarHBondContact O-CG2 3.37Å; I136-V140 PolarHBondContact O-N 3.45Å; I136-I152 HydrophobicContact CB-CG1 4.2Å; I136-I152 HydrophobicContact CG2-CD1 4.26Å; I136-I152 HydrophobicContact CG2-CG1 3.49Å; I136-I152 VanDerWaalsContact CG2-CG1 3.49Å; I136-L157 HydrophobicContact CD1-CD1 4.21Å; I136-L166 HydrophobicContact CG2-CD1 3.41Å; I136-L166 VanDerWaalsContact CG2-CD1 3.41Å; I136-L166 HydrophobicContact CG2-CD2 4.16Å; I136-L166 HydrophobicContact CG2-CG 4.43Å
137N95.7Very high92.8Very high11 Ų1151.9 Ų51.96%0.05928%0.282CS..Hα-helixtrans-61.9-38.8-179.9-78.4-25.1000112.1R133 N134 V140 S141 L151 I152R133-N137 PolarHBondContact NH1-ND2 3.49Å; R133-N137 PolarHBondContact O-N 2.72Å; N134-N137 PolarHBondContact O-N 3.45Å; N137-V140 PolarHBondContact O-N 2.97Å; N137-S141 WeakPolarHBondContact O-CB 3.42Å; N137-S141 PolarHBondContact O-N 3.43Å; N137-L151 PolarHBondContact OD1-N 3.07Å; N137-I152 PolarHBondContact ND2-O 3.5Å; N137-I152 PolarHBondContact OD1-N 3.39Å
138Q95.9Very high92.5Very high99 Ų9947.1 Ų47.146%0.46325%0.252SS..Hα-helixtrans-59.8-48.3173.1-179.3-177.4-10.200111.3N134 I136 V140 S141 E142N134-Q138 VanDerWaalsContact O-CB 3.27Å; N134-Q138 WeakPolarHBondContact O-CB 3.42Å; N134-Q138 PolarHBondContact O-N 3.24Å; I136-Q138 VanDerWaalsContact C-N 3.31Å; I136-Q138 PolarHBondContact O-N 3.41Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.48Å; Q138-S141 PolarHBondContact O-N 2.8Å; Q138-E142 HydrophobicContact CG-CG 4.47Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.49Å; Q138-E142 PolarHBondContact NE2-OE1 3.35Å; Q138-E142 WeakPolarHBondContact O-CG 3.25Å; Q138-E142 PolarHBondContact O-N 3.25Å
139W94.9Very high92.3Very high18 Ų1850 Ų507%0.06826%0.263CS..Hα-helixtrans-61.1-43.5178.3177.280.3000111.8N94 Y97 L119 R135 I136 S141 E142 Q143 L166N94-W139 WeakPolarHBondContact O-CH2 3.34Å; Y97-W139 HydrophobicContact CE2-CE3 4.28Å; Y97-W139 VanDerWaalsContact OH-CB 3.24Å; Y97-W139 WeakPolarHBondContact OH-CB 3.37Å; Y97-W139 VanDerWaalsContact OH-CD2 3.23Å; L119-W139 HydrophobicContact CB-CZ2 3.77Å; L119-W139 HydrophobicContact CD2-CD2 4.22Å; L119-W139 HydrophobicContact CD2-CG 4.24Å; L119-W139 HydrophobicContact CD2-CZ2 4.12Å; L119-W139 VanDerWaalsContact CD2-NE1 3.27Å; R135-W139 PolarHBondContact O-N 2.82Å; I136-W139 PolarHBondContact O-N 3.46Å; I136-W139 VanDerWaalsContact O-N 3.16Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.35Å; W139-E142 PolarHBondContact O-N 2.88Å; W139-Q143 HydrophobicContact CD2-CG 3.82Å; W139-Q143 HydrophobicContact CE3-CG 4.24Å; W139-Q143 HydrophobicContact CG-CG 4.4Å; W139-Q143 HydrophobicContact CH2-CG 3.91Å; W139-Q143 HydrophobicContact CZ2-CG 3.46Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.46Å; W139-Q143 HydrophobicContact CZ3-CG 4.27Å; W139-Q143 WeakPolarHBondContact O-CG 3.26Å; W139-Q143 PolarHBondContact O-N 2.95Å; W139-L166 HydrophobicContact CE3-CD1 4.27Å; W139-L166 HydrophobicContact CZ3-CD1 4.18Å
140V92.8Very high92.1Very high0 Ų052.2 Ų52.20%027%0.27CS..Hα-helixtrans-61-43.9176.8175.60000111I136 N137 Q138 Q143 T144 I148 L151 L166 T168I136-V140 HydrophobicContact CG2-CG2 4.39Å; I136-V140 WeakPolarHBondContact O-CG2 3.37Å; I136-V140 PolarHBondContact O-N 3.45Å; N137-V140 PolarHBondContact O-N 2.97Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.48Å; V140-Q143 PolarHBondContact O-N 3.36Å; V140-T144 HydrophobicContact CG1-CG2 4.41Å; V140-T144 WeakPolarHBondContact O-CB 3.36Å; V140-T144 WeakPolarHBondContact O-CG2 3.44Å; V140-T144 PolarHBondContact O-N 3.32Å; V140-T144 PolarHBondContact O-OG1 3.48Å; V140-I148 HydrophobicContact CG1-CB 3.81Å; V140-I148 HydrophobicContact CG1-CG2 3.53Å; V140-L151 HydrophobicContact CG1-CB 4.18Å; V140-L151 HydrophobicContact CG1-CD2 4.44Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.63Å; V140-L166 HydrophobicContact CG2-CD1 4.17Å; V140-T168 HydrophobicContact CG1-CG2 3.74Å; V140-T168 HydrophobicContact CG2-CG2 4.47Å
141S93Very high92Very high34 Ų3448.8 Ų48.824%0.23825%0.254CS..Hα-helixtrans-61.5-43.9176.1-174.40000111.6N137 Q138 W139 T144 N145 G146 I148N137-S141 WeakPolarHBondContact O-CB 3.42Å; N137-S141 PolarHBondContact O-N 3.43Å; Q138-S141 PolarHBondContact O-N 2.8Å; W139-S141 VanDerWaalsContact C-N 3.33Å; W139-S141 PolarHBondContact O-N 3.35Å; S141-T144 CarbonylContact O-C 3.49Å; S141-T144 PolarHBondContact O-N 3.44Å; S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 VanDerWaalsContact O-N 3.16Å; S141-G146 PolarHBondContact O-N 3.24Å; S141-I148 WeakPolarHBondContact CA-O 3.42Å; S141-I148 PolarHBondContact N-O 3.06Å
142E93.1Very high91.9Very high98 Ų9845.5 Ų45.546%0.45823%0.232SC..Hα-helixtrans-63.3-43.1176.5-73.5169.6-17500111.8Q138 W139 T144Q138-E142 HydrophobicContact CG-CG 4.47Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.49Å; Q138-E142 PolarHBondContact NE2-OE1 3.35Å; Q138-E142 WeakPolarHBondContact O-CG 3.25Å; Q138-E142 PolarHBondContact O-N 3.25Å; W139-E142 PolarHBondContact O-N 2.88Å; E142-T144 VanDerWaalsContact C-N 3.29Å; E142-T144 PolarHBondContact O-N 2.76Å
143Q88.1Confident91.8Very high83 Ų8347.1 Ų47.139%0.38824%0.242SC..Hα-helixtrans-66.5-33.2178.1-68.5-45.7-73.700112.4I91 W139 V140I91-Q143 WeakPolarHBondContact CG2-O 3.48Å; W139-Q143 HydrophobicContact CD2-CG 3.82Å; W139-Q143 HydrophobicContact CE3-CG 4.24Å; W139-Q143 HydrophobicContact CG-CG 4.4Å; W139-Q143 HydrophobicContact CH2-CG 3.91Å; W139-Q143 HydrophobicContact CZ2-CG 3.46Å; W139-Q143 VanDerWaalsContact CZ2-CG 3.46Å; W139-Q143 HydrophobicContact CZ3-CG 4.27Å; W139-Q143 WeakPolarHBondContact O-CG 3.26Å; W139-Q143 PolarHBondContact O-N 2.95Å; V140-Q143 PolarHBondContact O-N 3.36Å
144T86.4Confident91.5Very high1 Ų149.3 Ų49.31%0.00626%0.26CS..THydrogen-bonded Turntrans-99.216-174.861.60000113.3I91 V140 S141 E142 G146 A147 I148I91-T144 HydrophobicContact CG2-CG2 4.47Å; V140-T144 HydrophobicContact CG1-CG2 4.41Å; V140-T144 WeakPolarHBondContact O-CB 3.36Å; V140-T144 WeakPolarHBondContact O-CG2 3.44Å; V140-T144 PolarHBondContact O-N 3.32Å; V140-T144 PolarHBondContact O-OG1 3.48Å; S141-T144 CarbonylContact O-C 3.49Å; S141-T144 PolarHBondContact O-N 3.44Å; E142-T144 VanDerWaalsContact C-N 3.29Å; E142-T144 PolarHBondContact O-N 2.76Å; T144-G146 PolarHBondContact O-N 2.94Å; T144-A147 WeakPolarHBondContact O-CB 3.39Å; T144-A147 PolarHBondContact O-N 3.37Å; T144-I148 HydrophobicContact CG2-CB 4.11Å; T144-I148 HydrophobicContact CG2-CD1 3.9Å; T144-I148 HydrophobicContact CG2-CG1 4.17Å; T144-I148 PolarHBondContact OG1-N 3Å; T144-I148 PolarHBondContact OG1-O 3.2Å
145N87.5Confident91.1Very high127 Ų12754 Ų5468%0.67928%0.279SS*.THydrogen-bonded Turntrans50.931.6-176.5-63.1-33.6000113.6S141S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 VanDerWaalsContact O-N 3.16Å
146G88.4Confident90.9Very high27 Ų2751.7 Ų51.728%0.27828%0.277SS..THydrogen-bonded Turntrans86-0.2-178.500000115.4S141 T144 Q149S141-G146 PolarHBondContact O-N 3.24Å; T144-G146 PolarHBondContact O-N 2.94Å; G146-Q149 WeakPolarHBondContact O-CG 3.28Å
147A85Confident90.7Very high37 Ų3752.1 Ų52.131%0.30628%0.279SS..SBendtrans-65.5-39.6178.400000111.9T144 Y170 I325T144-A147 WeakPolarHBondContact O-CB 3.39Å; T144-A147 PolarHBondContact O-N 3.37Å; A147-Y170 HydrophobicContact CB-CD2 3.8Å; A147-Y170 HydrophobicContact CB-CE2 4.18Å; A147-Y170 HydrophobicContact CB-CG 4.4Å; A147-I325 HydrophobicContact CB-CD1 4.17Å; A147-I325 WeakPolarHBondContact O-CD1 3.42Å
148I86.2Confident90.5Very high0 Ų053.8 Ų53.80%029%0.291CS..  trans-113.597.5175.6-57.5170.2000109.1V140 S141 T144 L151 T168 K323 I325V140-I148 HydrophobicContact CG1-CB 3.81Å; V140-I148 HydrophobicContact CG1-CG2 3.53Å; S141-I148 WeakPolarHBondContact CA-O 3.42Å; S141-I148 PolarHBondContact N-O 3.06Å; T144-I148 HydrophobicContact CG2-CB 4.11Å; T144-I148 HydrophobicContact CG2-CD1 3.9Å; T144-I148 HydrophobicContact CG2-CG1 4.17Å; T144-I148 PolarHBondContact OG1-N 3Å; T144-I148 PolarHBondContact OG1-O 3.2Å; I148-L151 HydrophobicContact CG2-CB 4.39Å; I148-T168 HydrophobicContact CD1-CG2 4.14Å; I148-K323 HydrophobicContact CD1-CB 4.44Å; I148-K323 HydrophobicContact CD1-CG 4.33Å; I148-K323 HydrophobicContact CG2-CD 3.89Å; I148-K323 HydrophobicContact CG2-CG 4.33Å; I148-I325 HydrophobicContact CD1-CD1 4.33Å; I148-I325 HydrophobicContact CD1-CG1 4.37Å; I148-I325 HydrophobicContact CG1-CD1 3.44Å; I148-I325 VanDerWaalsContact CG1-CD1 3.44Å; I148-I325 HydrophobicContact CG1-CG1 3.97Å
149Q89.6Confident90.2Very high142 Ų14256.5 Ų56.566%0.66430%0.298SS*.SBendtrans-85.1-33.8179.9-61.6177.733.500112.9G146G146-Q149 WeakPolarHBondContact O-CG 3.28Å
150E90.1Very high89.8Confident78 Ų7861.7 Ų61.736%0.36432%0.323SS..  trans-130.4116.8178.9-169.6167.6-110.800110.4R133 P283 K323R133-E150 IonicContact NH1-OE1 2.7Å; R133-E150 PolarHBondContact NH1-OE1 3.2Å; E150-P283 WeakPolarHBondContact O-CG 3.5Å; E150-K323 PolarHBondContact O-NZ 3.49Å
151L92Very high89.7Confident0 Ų061.7 Ų61.70%032%0.324CS..SBendtrans-111.8-34.2172.517869.4000111.2N137 V140 I148 P153 L166 T168 P283 F321 K323N137-L151 PolarHBondContact OD1-N 3.07Å; V140-L151 HydrophobicContact CG1-CB 4.18Å; V140-L151 HydrophobicContact CG1-CD2 4.44Å; V140-L151 HydrophobicContact CG2-CB 4.14Å; V140-L151 HydrophobicContact CG2-CD2 3.63Å; I148-L151 HydrophobicContact CG2-CB 4.39Å; L151-P153 WeakPolarHBondContact O-CD 3.39Å; L151-L166 HydrophobicContact CD2-CB 3.95Å; L151-L166 HydrophobicContact CD2-CD1 4.17Å; L151-L166 HydrophobicContact CD2-CD2 3.77Å; L151-L166 HydrophobicContact CD2-CG 4.18Å; L151-T168 HydrophobicContact CD1-CG2 3.87Å; L151-T168 HydrophobicContact CD2-CG2 3.57Å; L151-T168 HydrophobicContact CG-CG2 4.27Å; L151-P283 HydrophobicContact CD1-CB 4.32Å; L151-P283 WeakPolarHBondContact O-CB 3.44Å; L151-P283 WeakPolarHBondContact O-CG 3.22Å; L151-F321 HydrophobicContact CD1-CB 4.14Å; L151-F321 HydrophobicContact CD2-CB 4.38Å; L151-F321 HydrophobicContact CG-CB 4.01Å; L151-K323 HydrophobicContact CD1-CB 3.51Å
152I93.4Very high89.5Confident0 Ų060.9 Ų60.90%032%0.318CS..SBendtrans-104.2105.2178.3-51.8-59000107.9R133 I136 N137 S156 L157 V164 L166 F321R133-I152 HydrophobicContact CG-CB 3.97Å; R133-I152 HydrophobicContact CG-CG2 3.73Å; R133-I152 PolarHBondContact NH1-O 3.36Å; I136-I152 HydrophobicContact CB-CG1 4.2Å; I136-I152 HydrophobicContact CG2-CD1 4.26Å; I136-I152 HydrophobicContact CG2-CG1 3.49Å; I136-I152 VanDerWaalsContact CG2-CG1 3.49Å; N137-I152 PolarHBondContact ND2-O 3.5Å; N137-I152 PolarHBondContact OD1-N 3.39Å; I152-S156 WeakPolarHBondContact CG2-OG 3.31Å; I152-L157 HydrophobicContact CG2-CD1 3.77Å; I152-L157 HydrophobicContact CG2-CD2 3.97Å; I152-L157 HydrophobicContact CG2-CG 3.6Å; I152-V164 HydrophobicContact CD1-CG1 4.24Å; I152-L166 HydrophobicContact CD1-CD2 3.75Å; I152-F321 HydrophobicContact CD1-CB 3.84Å; I152-F321 HydrophobicContact CD1-CD1 4.05Å; I152-F321 HydrophobicContact CD1-CD2 3.25Å; I152-F321 HydrophobicContact CD1-CE1 4.44Å; I152-F321 HydrophobicContact CD1-CE2 3.71Å; I152-F321 HydrophobicContact CD1-CG 3.44Å; I152-F321 VanDerWaalsContact CD1-CG 3.44Å; I152-F321 HydrophobicContact CD1-CZ 4.29Å
153P91.7Very high89.4Confident37 Ų3756.4 Ų56.424%0.2430%0.298CS..  trans-66.8160.1-17923.7-26.8000111.1R133 L151 S156R133-P153 WeakPolarHBondContact CD-O 3.32Å; L151-P153 WeakPolarHBondContact O-CD 3.39Å; P153-S156 WeakPolarHBondContact O-CB 3.36Å; P153-S156 PolarHBondContact O-N 3.47Å; P153-S156 PolarHBondContact O-OG 3.41Å
154P90.7Very high89.8Confident75 Ų7552.5 Ų52.549%0.48728%0.279SS..THydrogen-bonded Turntrans-51.6148171.5-25.434.9000111.8S156P154-S156 PolarHBondContact O-N 2.9Å
155E88.3Confident90.2Very high181 Ų18152.6 Ų52.685%0.84628%0.28SS*.THydrogen-bonded Turntrans63.62.8175.9-51.1-179.617400115.8L157E155-L157 VanDerWaalsContact C-N 3.35Å
156S89.8Confident90.6Very high38 Ų3846.5 Ų46.527%0.26625%0.248SC..SBendtrans-82.4-13-179.979.60000114I152 P153 P154I152-S156 WeakPolarHBondContact CG2-OG 3.31Å; P153-S156 WeakPolarHBondContact O-CB 3.36Å; P153-S156 PolarHBondContact O-N 3.47Å; P153-S156 PolarHBondContact O-OG 3.41Å; P154-S156 PolarHBondContact O-N 2.9Å
157L92.5Very high90.8Very high8 Ų845.2 Ų45.24%0.04223%0.234CC..  trans-113.2143.5174.8-55.3-176.8000109.6F125 R133 I136 I152 E155 T161 V164 F321F125-L157 HydrophobicContact CD1-CD1 4.1Å; F125-L157 HydrophobicContact CE1-CD1 3.74Å; F125-L157 HydrophobicContact CE1-CD2 4.49Å; R133-L157 HydrophobicContact CB-CD1 4.01Å; R133-L157 HydrophobicContact CG-CD1 4.46Å; I136-L157 HydrophobicContact CD1-CD1 4.21Å; I152-L157 HydrophobicContact CG2-CD1 3.77Å; I152-L157 HydrophobicContact CG2-CD2 3.97Å; I152-L157 HydrophobicContact CG2-CG 3.6Å; E155-L157 VanDerWaalsContact C-N 3.35Å; L157-T161 HydrophobicContact CD2-CG2 4.16Å; L157-V164 HydrophobicContact CD2-CG2 3.75Å; L157-F321 HydrophobicContact CD2-CE2 4.43Å
158S91.1Very high91.1Very high47 Ų4743.5 Ų43.533%0.32922%0.22SC..  trans-138.6176.5179.270.40000111E160 T161S158-E160 PolarHBondContact O-N 2.94Å; S158-E160 VanDerWaalsContact O-N 3.11Å; S158-E160 PolarHBondContact OG-N 3.49Å; S158-T161 PolarHBondContact N-OG1 2.89Å; S158-T161 WeakPolarHBondContact O-CB 3.48Å; S158-T161 PolarHBondContact O-N 3Å; S158-T161 PolarHBondContact O-OG1 3.03Å
159Y88.8Confident91.3Very high155 Ų15543.5 Ų43.561%0.60822%0.22SC*.THydrogen-bonded Turntrans-61.7-16.4173.270.9-92.3000113.2R126R126-Y159 WeakPolarHBondContact CG-O 3.42Å
160E87.9Confident91.2Very high127 Ų12737.9 Ų37.959%0.59319%0.193SC*.THydrogen-bonded Turntrans-86.3-10.8176.4-56.5-172.4164.200112.3S158 S162S158-E160 PolarHBondContact O-N 2.94Å; S158-E160 VanDerWaalsContact O-N 3.11Å; S158-E160 PolarHBondContact OG-N 3.49Å; E160-S162 PolarHBondContact O-N 3.31Å; E160-S162 PolarHBondContact O-OG 3.46Å
161T90.4Very high91.2Very high1 Ų134.2 Ų34.21%0.00618%0.175CC..  trans-62.8124.4178.6-62.50000110.2F125 L157 S158 V164 T318F125-T161 HydrophobicContact CB-CG2 4.32Å; F125-T161 WeakPolarHBondContact CB-O 3.41Å; F125-T161 HydrophobicContact CD1-CG2 3.85Å; F125-T161 HydrophobicContact CD2-CG2 3.77Å; F125-T161 HydrophobicContact CE1-CG2 4.02Å; F125-T161 HydrophobicContact CE2-CG2 3.92Å; F125-T161 HydrophobicContact CG-CG2 3.73Å; F125-T161 HydrophobicContact CZ-CG2 4.04Å; L157-T161 HydrophobicContact CD2-CG2 4.16Å; S158-T161 PolarHBondContact N-OG1 2.89Å; S158-T161 WeakPolarHBondContact O-CB 3.48Å; S158-T161 PolarHBondContact O-N 3Å; S158-T161 PolarHBondContact O-OG1 3.03Å; T161-V164 HydrophobicContact CG2-CG2 3.53Å; T161-T318 WeakPolarHBondContact CA-OG1 3.49Å; T161-T318 HydrophobicContact CG2-CG2 4.11Å
162S87.6Confident91.1Very high17 Ų1735.9 Ų35.912%0.11918%0.183CC..  trans-107.6-46.7-176.2-69.90000111.6N99 E160 T318N99-S162 PolarHBondContact N-O 3.07Å; E160-S162 PolarHBondContact O-N 3.31Å; E160-S162 PolarHBondContact O-OG 3.46Å; S162-T318 PolarHBondContact N-OG1 3.1Å
163A92.6Very high90.9Very high4 Ų436 Ų363%0.03318%0.184CC..EExtended strand (participates in β ladder)trans-150.7143.6176.700000110.8Y97 V98 T318Y97-A163 CarbonylContact O-C 3.6Å; Y97-A163 VanDerWaalsContact O-CA 3.22Å; Y97-A163 WeakPolarHBondContact O-CA 3.39Å; V98-A163 HydrophobicContact CG1-CB 4.12Å; A163-T318 VanDerWaalsContact O-CB 3.3Å; A163-T318 WeakPolarHBondContact O-CB 3.33Å; A163-T318 PolarHBondContact O-N 3.34Å
164V95.2Very high90.9Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-127.5130.9176.9-176.40000108.3I96 Y97 F125 I152 L157 T161 L166 F321I96-V164 WeakPolarHBondContact CA-O 3.25Å; Y97-V164 PolarHBondContact N-O 3.26Å; Y97-V164 PolarHBondContact O-N 2.7Å; F125-V164 HydrophobicContact CE1-CG2 4.18Å; F125-V164 HydrophobicContact CE2-CG2 4.32Å; F125-V164 HydrophobicContact CZ-CB 4.24Å; F125-V164 HydrophobicContact CZ-CG2 3.7Å; I152-V164 HydrophobicContact CD1-CG1 4.24Å; L157-V164 HydrophobicContact CD2-CG2 3.75Å; T161-V164 HydrophobicContact CG2-CG2 3.53Å; V164-L166 HydrophobicContact CG1-CD2 3.62Å; V164-F321 HydrophobicContact CG1-CD2 3.49Å; V164-F321 VanDerWaalsContact CG1-CD2 3.49Å; V164-F321 HydrophobicContact CG1-CE2 3.77Å
165V96.1Very high91Very high3 Ų333.1 Ų33.12%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-106.9135.2175.3-176.40000109A39 M42 I43 G95 I96 V317 D319 V320 F321A39-V165 HydrophobicContact CB-CG1 3.96Å; M42-V165 HydrophobicContact CE-CG1 3.8Å; I43-V165 HydrophobicContact CD1-CB 4.42Å; I43-V165 HydrophobicContact CD1-CG1 4.48Å; I43-V165 HydrophobicContact CD1-CG2 4.03Å; I43-V165 HydrophobicContact CG1-CG1 4.49Å; I43-V165 HydrophobicContact CG1-CG2 3.89Å; G95-V165 CarbonylContact O-C 3.56Å; G95-V165 WeakPolarHBondContact O-CA 3.25Å; I96-V165 HydrophobicContact CG1-CG1 4.42Å; I96-V165 HydrophobicContact CG1-CG2 4.31Å; V165-V317 HydrophobicContact CG2-CG1 4.19Å; V165-V317 HydrophobicContact CG2-CG2 4.45Å; V165-D319 PolarHBondContact N-O 2.95Å; V165-V320 HydrophobicContact CB-CB 4.43Å; V165-V320 HydrophobicContact CB-CG1 4.08Å; V165-V320 HydrophobicContact CB-CG2 4.11Å; V165-V320 HydrophobicContact CG1-CG1 4.19Å; V165-V320 CarbonylContact O-C 3.45Å; V165-V320 VanDerWaalsContact O-CA 3.3Å; V165-V320 WeakPolarHBondContact O-CA 3.41Å; V165-F321 PolarHBondContact O-N 3.36Å
166L95.1Very high91.1Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-118.1140.4-175.4-48.6-177.2000110.3G95 Y97 I136 W139 V140 L151 I152 V164 F321G95-L166 PolarHBondContact N-O 2.96Å; G95-L166 PolarHBondContact O-N 3.16Å; Y97-L166 HydrophobicContact CD2-CD1 3.59Å; Y97-L166 HydrophobicContact CD2-CG 4.09Å; Y97-L166 HydrophobicContact CE2-CD1 3.35Å; Y97-L166 HydrophobicContact CE2-CG 4.27Å; I136-L166 HydrophobicContact CG2-CD1 3.41Å; I136-L166 VanDerWaalsContact CG2-CD1 3.41Å; I136-L166 HydrophobicContact CG2-CD2 4.16Å; I136-L166 HydrophobicContact CG2-CG 4.43Å; W139-L166 HydrophobicContact CE3-CD1 4.27Å; W139-L166 HydrophobicContact CZ3-CD1 4.18Å; V140-L166 HydrophobicContact CG2-CD1 4.17Å; L151-L166 HydrophobicContact CD2-CB 3.95Å; L151-L166 HydrophobicContact CD2-CD1 4.17Å; L151-L166 HydrophobicContact CD2-CD2 3.77Å; L151-L166 HydrophobicContact CD2-CG 4.18Å; I152-L166 HydrophobicContact CD1-CD2 3.75Å; V164-L166 HydrophobicContact CG1-CD2 3.62Å; L166-F321 HydrophobicContact CD2-CB 4.28Å
167S92.6Very high91.1Very high0 Ų028.8 Ų28.80%014%0.141CC..EExtended strand (participates in β ladder)trans-141.2104.2177.8173.50000108.9N35 F321 H322 K323N35-S167 WeakPolarHBondContact CB-OG 3.48Å; N35-S167 PolarHBondContact ND2-OG 3.02Å; N35-S167 PolarHBondContact O-OG 2.75Å; S167-F321 PolarHBondContact N-O 3.43Å; S167-H322 VanDerWaalsContact O-CA 3.26Å; S167-H322 WeakPolarHBondContact O-CA 3.22Å; S167-H322 PolarHBondContact O-ND1 2.73Å; S167-H322 PolarHBondContact OG-ND1 2.8Å; S167-K323 PolarHBondContact O-N 2.98Å; S167-K323 VanDerWaalsContact O-N 3.15Å
168T91.5Very high90.8Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-121.5138.1177.461.40000112N35 I92 G93 V140 I148 L151 K323N35-T168 VanDerWaalsContact ND2-C 3.25Å; N35-T168 PolarHBondContact ND2-N 2.87Å; N35-T168 VanDerWaalsContact ND2-N 3.18Å; N35-T168 PolarHBondContact ND2-O 3.37Å; I92-T168 WeakPolarHBondContact CA-O 3.32Å; G93-T168 WeakPolarHBondContact CA-OG1 3.38Å; G93-T168 PolarHBondContact N-O 3.17Å; G93-T168 PolarHBondContact N-OG1 2.87Å; G93-T168 PolarHBondContact O-N 2.89Å; G93-T168 PolarHBondContact O-OG1 3.19Å; V140-T168 HydrophobicContact CG1-CG2 3.74Å; V140-T168 HydrophobicContact CG2-CG2 4.47Å; I148-T168 HydrophobicContact CD1-CG2 4.14Å; L151-T168 HydrophobicContact CD1-CG2 3.87Å; L151-T168 HydrophobicContact CD2-CG2 3.57Å; L151-T168 HydrophobicContact CG-CG2 4.27Å; T168-K323 WeakPolarHBondContact CA-O 3.42Å
169T89.6Confident90.7Very high0 Ų027 Ų270%013%0.129CC..EExtended strand (participates in β ladder)trans-135.7139.7173.136.10000111.5S32 N35 I91 I92 K323 S324 I325 F376S32-T169 WeakPolarHBondContact CB-OG1 3.39Å; N35-T169 HydrophobicContact CB-CG2 3.8Å; N35-T169 WeakPolarHBondContact ND2-CG2 3.43Å; I91-T169 CarbonylContact O-C 3.46Å; I91-T169 VanDerWaalsContact O-CA 3.28Å; I91-T169 WeakPolarHBondContact O-CA 3.28Å; I92-T169 HydrophobicContact CB-CG2 4.4Å; I92-T169 HydrophobicContact CG1-CG2 4Å; I92-T169 HydrophobicContact CG2-CG2 4.08Å; T169-K323 PolarHBondContact N-O 3.41Å; T169-K323 VanDerWaalsContact N-O 3.11Å; T169-S324 CarbonylContact O-C 3.52Å; T169-S324 VanDerWaalsContact O-CA 3.22Å; T169-S324 WeakPolarHBondContact O-CA 3.48Å; T169-S324 PolarHBondContact OG1-OG 2.82Å; T169-I325 PolarHBondContact O-N 3.09Å; T169-F376 HydrophobicContact CG2-CE1 4.39Å; T169-F376 HydrophobicContact CG2-CZ 4.27Å; T169-F376 WeakPolarHBondContact OG1-CE1 3.45Å
170Y88.6Confident90.7Very high25 Ų2521.3 Ų21.310%0.09811%0.111CC..EExtended strand (participates in β ladder)trans-123.4133.8167.3166.9-88.4000108E89 I90 I91 A147 K172 I325 D327E89-Y170 HydrophobicContact CB-CE1 4.44Å; E89-Y170 HydrophobicContact CG-CD1 4.4Å; E89-Y170 HydrophobicContact CG-CE1 4.02Å; E89-Y170 WeakPolarHBondContact OE2-CE1 3.29Å; I90-Y170 WeakPolarHBondContact CA-O 3.36Å; I91-Y170 HydrophobicContact CD1-CD1 4.01Å; I91-Y170 HydrophobicContact CG1-CD1 4.19Å; I91-Y170 PolarHBondContact N-O 3.45Å; I91-Y170 PolarHBondContact O-N 2.71Å; A147-Y170 HydrophobicContact CB-CD2 3.8Å; A147-Y170 HydrophobicContact CB-CE2 4.18Å; A147-Y170 HydrophobicContact CB-CG 4.4Å; Y170-K172 HydrophobicContact CE1-CB 3.73Å; Y170-K172 WeakPolarHBondContact OH-CB 3.13Å; Y170-I325 HydrophobicContact CD2-CB 3.9Å; Y170-I325 HydrophobicContact CD2-CG2 3.73Å; Y170-I325 HydrophobicContact CE2-CG2 4.08Å; Y170-D327 HydrophobicContact CE2-CB 4.41Å
171F90.1Very high90.7Very high0 Ų020.4 Ų20.40%011%0.11CC..EExtended strand (participates in β ladder)trans-126.8124.9175.1-177.1-79000109.1V88 I90 F225 Y230 I325 L326 D327 I367 F376V88-F171 HydrophobicContact CG1-CD2 4.49Å; V88-F171 HydrophobicContact CG1-CE2 3.77Å; V88-F171 HydrophobicContact CG1-CZ 3.99Å; I90-F171 HydrophobicContact CD1-CD2 4.09Å; I90-F171 HydrophobicContact CD1-CE2 4.03Å; I90-F171 HydrophobicContact CG1-CD2 3.63Å; I90-F171 HydrophobicContact CG1-CE2 4.01Å; F171-F225 HydrophobicContact CE1-CD2 4.46Å; F171-F225 HydrophobicContact CE1-CE1 4.05Å; F171-F225 AromaticContact CE1-CE2 3.9Å; F171-F225 HydrophobicContact CE1-CE2 3.9Å; F171-F225 AromaticContact CE1-CZ 3.67Å; F171-F225 HydrophobicContact CE1-CZ 3.67Å; F171-F225 HydrophobicContact CZ-CD2 4.14Å; F171-F225 AromaticContact CZ-CE2 3.94Å; F171-F225 HydrophobicContact CZ-CE2 3.94Å; F171-F225 HydrophobicContact CZ-CZ 4.17Å; F171-Y230 HydrophobicContact CE2-CD1 4.06Å; F171-Y230 HydrophobicContact CE2-CG 4.15Å; F171-Y230 HydrophobicContact CZ-CG 4.35Å; F171-I325 PolarHBondContact N-O 2.9Å; F171-L326 HydrophobicContact CB-CD1 4.46Å; F171-L326 HydrophobicContact CD1-CD1 3.62Å; F171-L326 HydrophobicContact CE1-CD1 4.37Å; F171-L326 HydrophobicContact CG-CD1 4.42Å; F171-D327 PolarHBondContact O-N 3.36Å; F171-D327 VanDerWaalsContact O-N 3.16Å; F171-I367 HydrophobicContact CD1-CD1 4.14Å; F171-I367 HydrophobicContact CD1-CG1 4.37Å; F171-I367 HydrophobicContact CD2-CG2 4.33Å; F171-I367 HydrophobicContact CE1-CD1 3.82Å; F171-I367 HydrophobicContact CE1-CG1 4.42Å; F171-I367 HydrophobicContact CE2-CG2 3.9Å; F171-I367 HydrophobicContact CZ-CD1 4.26Å; F171-I367 HydrophobicContact CZ-CG2 4Å; F171-F376 HydrophobicContact CB-CE1 4.41Å; F171-F376 HydrophobicContact CB-CE2 3.84Å; F171-F376 HydrophobicContact CB-CZ 3.73Å; F171-F376 AromaticContact CD2-CE2 3.87Å; F171-F376 HydrophobicContact CD2-CE2 3.87Å; F171-F376 HydrophobicContact CG-CE2 4.14Å
172K89.5Confident90.6Very high36 Ų3628 Ų2816%0.15715%0.145CC..EExtended strand (participates in β ladder)trans-132.2129.9163.5-178.1174.7-177.7178.10108.2E89 Y170 D327 D329 E331E89-K172 HydrophobicContact CB-CB 4.43Å; E89-K172 PolarHBondContact N-O 3.35Å; E89-K172 PolarHBondContact O-N 2.97Å; Y170-K172 HydrophobicContact CE1-CB 3.73Å; Y170-K172 WeakPolarHBondContact OH-CB 3.13Å; K172-D327 HydrophobicContact CB-CB 4.25Å; K172-D327 HydrophobicContact CD-CB 4.43Å; K172-D327 HydrophobicContact CG-CB 4.25Å; K172-D329 WeakPolarHBondContact CE-OD2 3.31Å; K172-D329 IonicContact NZ-OD2 2.87Å; K172-D329 PolarHBondContact NZ-OD2 3.45Å; K172-E331 WeakPolarHBondContact CE-OE2 3.15Å; K172-E331 IonicContact NZ-OE2 3.98Å; K172-E331 PolarHBondContact NZ-OE2 2.83Å
173G89.1Confident90.8Very high2 Ų230 Ų302%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-132137.5-179.800000110.6F225G173-F225 VanDerWaalsContact C-CD1 3.47Å; G173-F225 WeakPolarHBondContact O-CD1 3.4Å; G173-F225 WeakPolarHBondContact O-CE1 3.45Å
174L91.6Very high90.8Very high49 Ų4930.7 Ų30.726%0.25716%0.16SC..  trans-76.1134.7169.9-65.8-172.8000109.3G87 F225 I226 E331G87-L174 VanDerWaalsContact O-CB 3.32Å; G87-L174 WeakPolarHBondContact O-CB 2.98Å; G87-L174 WeakPolarHBondContact O-CG 3.27Å; G87-L174 PolarHBondContact O-N 3.01Å; L174-F225 CarbonylContact O-C 3.58Å; L174-F225 VanDerWaalsContact O-CA 3.26Å; L174-F225 WeakPolarHBondContact O-CA 3.26Å; L174-F225 WeakPolarHBondContact O-CB 3.22Å; L174-F225 WeakPolarHBondContact O-CD1 3.44Å; L174-I226 HydrophobicContact CB-CD1 3.45Å; L174-I226 VanDerWaalsContact CB-CD1 3.45Å; L174-I226 HydrophobicContact CB-CG1 3.78Å; L174-I226 HydrophobicContact CD1-CD1 3.82Å; L174-I226 HydrophobicContact CG-CD1 4.29Å; L174-I226 WeakPolarHBondContact O-CG1 3.44Å; L174-I226 PolarHBondContact O-N 3.26Å; L174-E331 WeakPolarHBondContact CA-O 3.31Å; L174-E331 HydrophobicContact CD2-CB 3.43Å; L174-E331 VanDerWaalsContact CD2-CB 3.43Å
175W92.4Very high90.7Very high3 Ų334.2 Ų34.21%0.01118%0.176CC..BIsolated β-bridgetrans-66.1144174.8-57.9112000112.1L177 F179 L223 F225 I226 L232 L273 I328 D329 E331 G332 V333W175-L177 VanDerWaalsContact C-N 3.26Å; W175-L177 VanDerWaalsContact CB-O 3.31Å; W175-L177 WeakPolarHBondContact CB-O 2.92Å; W175-F179 AromaticContact CD1-CD2 3.68Å; W175-F179 AromaticContact CD1-CE2 3.81Å; W175-F179 HydrophobicContact CD2-CE2 4.13Å; W175-F179 AromaticContact CE2-CE2 3.91Å; W175-F179 HydrophobicContact CG-CD2 4.27Å; W175-F179 HydrophobicContact CG-CE2 4.08Å; W175-F179 AromaticContact NE1-CD2 3.76Å; W175-F179 AromaticContact NE1-CE2 3.68Å; W175-L223 HydrophobicContact CE3-CB 4.19Å; W175-L223 HydrophobicContact CH2-CB 4.49Å; W175-L223 HydrophobicContact CZ3-CB 3.72Å; W175-F225 HydrophobicContact CD2-CD1 4.37Å; W175-F225 HydrophobicContact CD2-CE1 4.2Å; W175-F225 AromaticContact CE3-CD1 3.78Å; W175-F225 HydrophobicContact CE3-CD1 3.78Å; W175-F225 AromaticContact CE3-CE1 3.66Å; W175-F225 HydrophobicContact CE3-CE1 3.66Å; W175-F225 HydrophobicContact CE3-CG 4.47Å; W175-F225 HydrophobicContact CE3-CZ 4.24Å; 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 3.61Å; W175-F225 HydrophobicContact CH2-CZ 3.61Å; W175-F225 HydrophobicContact CZ2-CE1 4.12Å; W175-F225 AromaticContact CZ3-CD1 3.84Å; W175-F225 HydrophobicContact CZ3-CD1 3.84Å; W175-F225 AromaticContact CZ3-CE1 3.3Å; W175-F225 HydrophobicContact CZ3-CE1 3.3Å; W175-F225 HydrophobicContact CZ3-CE2 4.09Å; W175-F225 HydrophobicContact CZ3-CG 4.44Å; W175-F225 AromaticContact CZ3-CZ 3.45Å; W175-F225 HydrophobicContact CZ3-CZ 3.45Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.45Å; W175-I226 WeakPolarHBondContact O-CG1 3.35Å; W175-L232 HydrophobicContact CH2-CB 3.9Å; W175-L232 HydrophobicContact CH2-CD2 3.6Å; W175-L232 HydrophobicContact CH2-CG 4.32Å; W175-L232 HydrophobicContact CZ2-CD2 4.48Å; W175-L232 HydrophobicContact CZ3-CB 3.91Å; W175-L232 HydrophobicContact CZ3-CD2 4.39Å; W175-L273 HydrophobicContact CZ2-CD2 4.31Å; W175-I328 HydrophobicContact CH2-CD1 3.9Å; W175-I328 HydrophobicContact CZ2-CD1 3.85Å; W175-I328 HydrophobicContact CZ2-CG2 3.85Å; W175-D329 PolarHBondContact NE1-O 3.43Å; W175-E331 VanDerWaalsContact CD1-O 3.23Å; W175-E331 PolarHBondContact N-O 3.08Å; W175-G332 CarbonylContact O-C 3.54Å; W175-G332 WeakPolarHBondContact O-CA 3.45Å; W175-V333 PolarHBondContact O-N 3.44Å
176D90.8Very high90.6Very high76 Ų7640.1 Ų40.141%0.40621%0.207SC..SBendtrans-64.2-37.5165.9-177.349.4000110.6P224D176-P224 HydrophobicContact CB-CB 4.13Å; D176-P224 HydrophobicContact CB-CG 4.04Å; D176-P224 WeakPolarHBondContact CB-O 3.22Å; D176-P224 PolarHBondContact N-O 2.85Å
177L89.6Confident90.6Very high51 Ų5140.7 Ų40.727%0.26721%0.212SC..SBendtrans-116.699.1171.1-64.7174.2000109.3W175 S206 F208W175-L177 VanDerWaalsContact C-N 3.26Å; W175-L177 VanDerWaalsContact CB-O 3.31Å; W175-L177 WeakPolarHBondContact CB-O 2.92Å; L177-S206 WeakPolarHBondContact CD1-OG 3.48Å; L177-F208 HydrophobicContact CD1-CE1 4.06Å; L177-F208 HydrophobicContact CD1-CZ 4.37Å
178S87.2Confident90.7Very high12 Ų1245.6 Ų45.68%0.08423%0.234CC..PPolyproline II helixtrans-59.5158.5177.352.40000113.2N204 V333 V334 A335S178-N204 PolarHBondContact O-ND2 3.08Å; S178-V333 VanDerWaalsContact CB-O 3.25Å; S178-V333 WeakPolarHBondContact CB-O 3.46Å; S178-V333 PolarHBondContact N-O 3.16Å; S178-V333 PolarHBondContact OG-O 2.91Å; S178-V334 WeakPolarHBondContact OG-CA 3.46Å; S178-A335 PolarHBondContact OG-N 3.25Å
179F88.2Confident90.9Very high5 Ų545.6 Ų45.62%0.02223%0.234CC..PPolyproline II helixtrans-93.9121.8168.4-64.1-94.3000108W175 N181 M202 N204 L271 L273 E330W175-F179 AromaticContact CD1-CD2 3.68Å; W175-F179 AromaticContact CD1-CE2 3.81Å; W175-F179 HydrophobicContact CD2-CE2 4.13Å; W175-F179 AromaticContact CE2-CE2 3.91Å; W175-F179 HydrophobicContact CG-CD2 4.27Å; W175-F179 HydrophobicContact CG-CE2 4.08Å; W175-F179 AromaticContact NE1-CD2 3.76Å; W175-F179 AromaticContact NE1-CE2 3.68Å; F179-N181 PolarHBondContact O-N 2.82Å; F179-M202 HydrophobicContact CB-CB 3.84Å; F179-M202 HydrophobicContact CD1-CB 3.58Å; F179-M202 HydrophobicContact CD2-CB 4.32Å; F179-M202 HydrophobicContact CD2-CE 4.18Å; F179-M202 HydrophobicContact CD2-SD 4.22Å; F179-M202 HydrophobicContact CE1-CB 4.21Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.65Å; F179-M202 HydrophobicContact CG-SD 4.38Å; F179-N204 HydrophobicContact CD1-CB 3.62Å; F179-N204 HydrophobicContact CE1-CB 3.83Å; F179-N204 HydrophobicContact CG-CB 4.44Å; F179-L271 HydrophobicContact CE1-CD2 3.83Å; F179-L271 HydrophobicContact CE1-CG 4.15Å; F179-L271 HydrophobicContact CZ-CD2 3.72Å; F179-L271 HydrophobicContact CZ-CG 4.44Å; F179-L273 HydrophobicContact CE1-CB 4.44Å; F179-L273 HydrophobicContact CZ-CB 4.32Å; F179-L273 HydrophobicContact CZ-CD2 4.2Å; F179-E330 HydrophobicContact CB-CB 4.19Å; F179-E330 HydrophobicContact CB-CG 4.15Å; F179-E330 PolarHBondContact N-O 2.96Å
180P88.6Confident91.2Very high36 Ų3648.5 Ų48.523%0.23425%0.247CC..PPolyproline II helixtrans-61.4125175.1-22.133.2000110.1E182 N183P180-E182 HydrophobicContact CB-CG 4.03Å; P180-E182 WeakPolarHBondContact CB-OE1 3.18Å; P180-E182 PolarHBondContact O-N 2.91Å; P180-N183 HydrophobicContact CB-CB 4.34Å; P180-N183 WeakPolarHBondContact O-CB 3.16Å; P180-N183 PolarHBondContact O-N 3.15Å
181N87.5Confident91.4Very high109 Ų10949.5 Ų49.558%0.58325%0.252SS*.G310 helixtrans-58.8-31.9-178.6-73.9-43.8000112F179 N183 S184 E330F179-N181 PolarHBondContact O-N 2.82Å; N181-N183 PolarHBondContact O-N 2.78Å; N181-S184 WeakPolarHBondContact O-CB 3.21Å; N181-S184 PolarHBondContact O-N 3.13Å; N181-E330 WeakPolarHBondContact OD1-CB 3.21Å; N181-E330 VanDerWaalsContact OD1-CG 3.23Å; N181-E330 WeakPolarHBondContact OD1-CG 3.29Å
182E89.8Confident91.5Very high159 Ų15952.1 Ų52.174%0.74327%0.266SS*.G310 helixtrans-63.8-18.8175.259.1-93.3-15400114.3P180P180-E182 HydrophobicContact CB-CG 4.03Å; P180-E182 WeakPolarHBondContact CB-OE1 3.18Å; P180-E182 PolarHBondContact O-N 2.91Å
183N90.8Very high91.5Very high59 Ų5955.7 Ų55.732%0.31629%0.287SS..G310 helixtrans-93.3-16177.9-71.3-9.9000112.5P180 N181 H185 Y203P180-N183 HydrophobicContact CB-CB 4.34Å; P180-N183 WeakPolarHBondContact O-CB 3.16Å; P180-N183 PolarHBondContact O-N 3.15Å; N181-N183 PolarHBondContact O-N 2.78Å; N183-H185 PolarHBondContact O-ND1 3.2Å; N183-Y203 HydrophobicContact CB-CD1 3.94Å
184S91.8Very high91.5Very high20 Ų2058.6 Ų58.614%0.1432%0.317CS..  trans-64.7133.9174.6-68.80000110.3N181 L201 E330N181-S184 WeakPolarHBondContact O-CB 3.21Å; N181-S184 PolarHBondContact O-N 3.13Å; S184-L201 VanDerWaalsContact CA-O 3.29Å; S184-L201 WeakPolarHBondContact CA-O 3.36Å; S184-E330 WeakPolarHBondContact OG-CG 3.38Å; S184-E330 PolarHBondContact OG-OE1 2.94Å
185H93.6Very high91.6Very high73 Ų7358.7 Ų58.734%0.33832%0.321SS..EExtended strand (participates in β ladder)trans-151.6153.2-17958.6-80.1000112.1N183 L201 Y272N183-H185 PolarHBondContact O-ND1 3.2Å; H185-L201 PolarHBondContact N-O 2.86Å; H185-L201 VanDerWaalsContact N-O 3.08Å; H185-L201 PolarHBondContact O-N 3.38Å; H185-Y272 AromaticContact CE1-CD1 3.93Å; H185-Y272 AromaticContact CE1-CE1 3.84Å
186D94.7Very high91.7Very high127 Ų12761.5 Ų61.568%0.67934%0.339SS*.EExtended strand (participates in β ladder)trans-66.7134.8174.1-69-30.7000111V199D186-V199 WeakPolarHBondContact CA-O 3.49Å
187S94.4Very high91.8Very high13 Ų1360.4 Ų60.49%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-143.7159.3174.9174.70000110.9N198 V199 L201 R358S187-N198 WeakPolarHBondContact O-CA 3.31Å; S187-V199 PolarHBondContact N-O 2.99Å; S187-V199 PolarHBondContact O-N 3.49Å; S187-L201 WeakPolarHBondContact OG-CD1 3.43Å; S187-R358 PolarHBondContact OG-NH2 3.39Å
188E94.9Very high92Very high102 Ų10263.7 Ų63.748%0.47735%0.35SS..EExtended strand (participates in β ladder)trans-68.4141.1168.3-61.3-170.8105.700111T196 M197E188-T196 PolarHBondContact OE1-OG1 3.5Å; E188-M197 CarbonylContact C-O 3.55Å
189F96.2Very high92.4Very high0 Ų063.6 Ų63.60%035%0.349CS..EExtended strand (participates in β ladder)trans-122.9129.2169.1-174.3-83.9000109.5T196 M197 V199 D360 H361 F363 T381 P383F189-T196 CarbonylContact O-C 3.43Å; F189-T196 VanDerWaalsContact O-CA 3.25Å; F189-T196 WeakPolarHBondContact O-CA 3.33Å; F189-M197 HydrophobicContact CB-CG 4.08Å; F189-M197 HydrophobicContact CD1-CG 4.42Å; F189-M197 PolarHBondContact N-O 3.04Å; F189-M197 PolarHBondContact O-N 3.44Å; F189-V199 HydrophobicContact CB-CB 4.31Å; F189-V199 HydrophobicContact CB-CG1 3.5Å; F189-V199 HydrophobicContact CB-CG2 3.77Å; F189-V199 HydrophobicContact CD2-CG2 4.34Å; F189-V199 HydrophobicContact CG-CG1 4.12Å; F189-V199 HydrophobicContact CG-CG2 4.47Å; F189-D360 CarbonylContact C-O 3.58Å; F189-D360 VanDerWaalsContact CA-O 3.23Å; F189-D360 WeakPolarHBondContact CA-O 3.39Å; F189-D360 VanDerWaalsContact CD2-C 3.41Å; F189-H361 WeakPolarHBondContact CE2-O 3.47Å; F189-H361 WeakPolarHBondContact CZ-O 2.91Å; F189-F363 HydrophobicContact CE2-CD1 4.32Å; F189-F363 HydrophobicContact CE2-CE1 4.15Å; F189-F363 HydrophobicContact CZ-CD1 4.31Å; F189-F363 HydrophobicContact CZ-CE1 4.33Å; F189-T381 WeakPolarHBondContact CE1-O 3.34Å; F189-P383 HydrophobicContact CD1-CG 4.27Å; F189-P383 HydrophobicContact CD2-CG 3.89Å; F189-P383 VanDerWaalsContact CE1-CD 3.47Å; F189-P383 HydrophobicContact CE1-CG 4.35Å; F189-P383 HydrophobicContact CE2-CG 3.96Å; F189-P383 HydrophobicContact CG-CG 4.05Å; F189-P383 HydrophobicContact CZ-CG 4.18Å
190F95.9Very high92.6Very high61 Ų6166.5 Ų66.527%0.26836%0.362SS..EExtended strand (participates in β ladder)trans-88.7117.7-178.5-57.3-87.5000111.1T196 N240 D360 H361F190-T196 HydrophobicContact CD1-CG2 3.52Å; F190-T196 HydrophobicContact CE1-CG2 3.63Å; F190-T196 HydrophobicContact CG-CG2 4.33Å; F190-N240 HydrophobicContact CB-CB 4Å; F190-N240 WeakPolarHBondContact CD2-ND2 3.17Å; F190-N240 WeakPolarHBondContact CG-ND2 3.4Å; F190-D360 WeakPolarHBondContact CD2-O 3.45Å; F190-D360 PolarHBondContact N-O 3.16Å; F190-H361 HydrophobicContact CB-CB 3.99Å; F190-H361 WeakPolarHBondContact O-CA 3.39Å
191K93.2Very high92.8Very high46 Ų4664.8 Ų64.820%0.235%0.351CS..  trans-81.3162.2174.6-60.7-171.7-71135.90111D193 G194 S195 M197 T382K191-D193 WeakPolarHBondContact CB-OD1 3.34Å; K191-D193 IonicContact NZ-OD1 3.01Å; K191-D193 PolarHBondContact NZ-OD1 3.3Å; K191-D193 IonicContact NZ-OD2 3.5Å; K191-D193 PolarHBondContact NZ-OD2 3.01Å; K191-D193 PolarHBondContact O-N 3.03Å; K191-G194 PolarHBondContact O-N 2.97Å; K191-S195 WeakPolarHBondContact CB-O 3.21Å; K191-S195 WeakPolarHBondContact CE-OG 3.23Å; K191-S195 PolarHBondContact N-O 2.9Å; K191-S195 PolarHBondContact NZ-OG 3.5Å; K191-M197 HydrophobicContact CD-SD 4.24Å; K191-M197 HydrophobicContact CG-CG 4.43Å; K191-M197 HydrophobicContact CG-SD 4.41Å; K191-T382 HydrophobicContact CD-CG2 3.48Å; K191-T382 VanDerWaalsContact CD-CG2 3.48Å; K191-T382 HydrophobicContact CG-CG2 3.9Å
192L90.6Very high93.2Very high55 Ų5559.6 Ų59.629%0.28832%0.323SS..THydrogen-bonded Turntrans-61.2-25.3177.9-64.5179.1000114L26 G194 L243 S362 T381L26-L192 HydrophobicContact CB-CD1 3.88Å; L26-L192 HydrophobicContact CD1-CD1 4.07Å; L192-G194 PolarHBondContact O-N 3.2Å; L192-L243 HydrophobicContact CD1-CD2 4.45Å; L192-L243 HydrophobicContact CD2-CB 4.05Å; L192-S362 WeakPolarHBondContact CG-OG 3.47Å; L192-T381 HydrophobicContact CD1-CG2 3.79Å
193D89.5Confident93.4Very high112 Ų11254.4 Ų54.460%0.59930%0.297SS*.THydrogen-bonded Turntrans-78.3-0.617764.914.6000113.5K191 S195K191-D193 WeakPolarHBondContact CB-OD1 3.34Å; K191-D193 IonicContact NZ-OD1 3.01Å; K191-D193 PolarHBondContact NZ-OD1 3.3Å; K191-D193 IonicContact NZ-OD2 3.5Å; K191-D193 PolarHBondContact NZ-OD2 3.01Å; K191-D193 PolarHBondContact O-N 3.03Å; D193-S195 VanDerWaalsContact C-N 3.3Å; D193-S195 VanDerWaalsContact CG-OG 3.23Å; D193-S195 PolarHBondContact O-N 2.92Å; D193-S195 WeakPolarHBondContact OD1-CB 3.49Å; D193-S195 PolarHBondContact OD1-N 3.35Å; D193-S195 PolarHBondContact OD1-OG 3.08Å; D193-S195 PolarHBondContact OD2-OG 3.16Å
194G89.6Confident93.4Very high63 Ų6352.7 Ų52.765%0.64929%0.288SS*.SBendtrans83.4-3.9-178.600000114.7K191 L192K191-G194 PolarHBondContact O-N 2.97Å; L192-G194 PolarHBondContact O-N 3.2Å
195S93.9Very high93.4Very high50 Ų5054.5 Ų54.535%0.3530%0.298SS..  trans-86.2160.1172.366.90000111.9K191 D193K191-S195 WeakPolarHBondContact CB-O 3.21Å; K191-S195 WeakPolarHBondContact CE-OG 3.23Å; K191-S195 PolarHBondContact N-O 2.9Å; K191-S195 PolarHBondContact NZ-OG 3.5Å; D193-S195 VanDerWaalsContact C-N 3.3Å; D193-S195 VanDerWaalsContact CG-OG 3.23Å; D193-S195 PolarHBondContact O-N 2.92Å; D193-S195 WeakPolarHBondContact OD1-CB 3.49Å; D193-S195 PolarHBondContact OD1-N 3.35Å; D193-S195 PolarHBondContact OD1-OG 3.08Å; D193-S195 PolarHBondContact OD2-OG 3.16Å
196T94.1Very high93.4Very high62 Ų6252.4 Ų52.438%0.3829%0.292SS..EExtended strand (participates in β ladder)trans-105.2156.2179.557.70000111.7E188 F189 F190E188-T196 PolarHBondContact OE1-OG1 3.5Å; F189-T196 CarbonylContact O-C 3.43Å; F189-T196 VanDerWaalsContact O-CA 3.25Å; F189-T196 WeakPolarHBondContact O-CA 3.33Å; F190-T196 HydrophobicContact CD1-CG2 3.52Å; F190-T196 HydrophobicContact CE1-CG2 3.63Å; F190-T196 HydrophobicContact CG-CG2 4.33Å
197M94.2Very high93.3Very high53 Ų5352.2 Ų52.226%0.26128%0.282SS..EExtended strand (participates in β ladder)trans-135.4153.7166.366.1179.9-69.200109.7E188 F189 K191 V199 T382 P383E188-M197 CarbonylContact C-O 3.55Å; F189-M197 HydrophobicContact CB-CG 4.08Å; F189-M197 HydrophobicContact CD1-CG 4.42Å; F189-M197 PolarHBondContact N-O 3.04Å; F189-M197 PolarHBondContact O-N 3.44Å; K191-M197 HydrophobicContact CD-SD 4.24Å; K191-M197 HydrophobicContact CG-CG 4.43Å; K191-M197 HydrophobicContact CG-SD 4.41Å; M197-V199 HydrophobicContact CE-CG1 4.11Å; M197-V199 HydrophobicContact CG-CG1 3.93Å; M197-V199 HydrophobicContact SD-CG1 4.37Å; M197-T382 HydrophobicContact SD-CG2 4.16Å; M197-P383 WeakPolarHBondContact CE-O 3.36Å
198N94.1Very high93.3Very high120 Ų12051.9 Ų51.964%0.64228%0.279SS*.EExtended strand (participates in β ladder)trans-82.4135.3173.4-72.2-6.4000110S187S187-N198 WeakPolarHBondContact O-CA 3.31Å
199V94Very high93.4Very high11 Ų1150.2 Ų50.27%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-137.9150.5178.6-51.40000108.9D186 S187 F189 M197 L201 P274 P383D186-V199 WeakPolarHBondContact CA-O 3.49Å; S187-V199 PolarHBondContact N-O 2.99Å; S187-V199 PolarHBondContact O-N 3.49Å; F189-V199 HydrophobicContact CB-CB 4.31Å; F189-V199 HydrophobicContact CB-CG1 3.5Å; F189-V199 HydrophobicContact CB-CG2 3.77Å; F189-V199 HydrophobicContact CD2-CG2 4.34Å; F189-V199 HydrophobicContact CG-CG1 4.12Å; F189-V199 HydrophobicContact CG-CG2 4.47Å; M197-V199 HydrophobicContact CE-CG1 4.11Å; M197-V199 HydrophobicContact CG-CG1 3.93Å; M197-V199 HydrophobicContact SD-CG1 4.37Å; V199-L201 HydrophobicContact CG2-CD2 3.96Å; V199-L201 HydrophobicContact CG2-CG 4.18Å; V199-L201 PolarHBondContact O-N 3.13Å; V199-P274 HydrophobicContact CG2-CB 4.41Å; V199-P383 HydrophobicContact CB-CG 4.25Å; V199-P383 HydrophobicContact CG1-CG 3.55Å
200E93.1Very high93.4Very high65 Ų6551 Ų5130%0.30428%0.277SS..EExtended strand (participates in β ladder)trans-80.9115.3171.6-171.7171-158.200108.7P274 K275E200-P274 WeakPolarHBondContact O-CA 3.25Å; E200-K275 PolarHBondContact O-N 2.86Å
201L93.5Very high93.4Very high0 Ų048.8 Ų48.80%027%0.269CS..EExtended strand (participates in β ladder)trans-94.6121.5174.1-70.6-176.9000109.6S184 H185 S187 V199 P274S184-L201 VanDerWaalsContact CA-O 3.29Å; S184-L201 WeakPolarHBondContact CA-O 3.36Å; H185-L201 PolarHBondContact N-O 2.86Å; H185-L201 VanDerWaalsContact N-O 3.08Å; H185-L201 PolarHBondContact O-N 3.38Å; S187-L201 WeakPolarHBondContact OG-CD1 3.43Å; V199-L201 HydrophobicContact CG2-CD2 3.96Å; V199-L201 HydrophobicContact CG2-CG 4.18Å; V199-L201 PolarHBondContact O-N 3.13Å; L201-P274 HydrophobicContact CD2-CB 3.97Å
202M94.3Very high93.6Very high0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-75.9137.7167.3-49.7-177.9-64.300108.8F179 Y272 L273 K275 I328 E330F179-M202 HydrophobicContact CB-CB 3.84Å; F179-M202 HydrophobicContact CD1-CB 3.58Å; F179-M202 HydrophobicContact CD2-CB 4.32Å; F179-M202 HydrophobicContact CD2-CE 4.18Å; F179-M202 HydrophobicContact CD2-SD 4.22Å; F179-M202 HydrophobicContact CE1-CB 4.21Å; F179-M202 HydrophobicContact CE2-CE 4.16Å; F179-M202 HydrophobicContact CG-CB 3.65Å; F179-M202 HydrophobicContact CG-SD 4.38Å; M202-Y272 WeakPolarHBondContact O-CA 3.5Å; M202-L273 WeakPolarHBondContact CB-O 3.39Å; M202-L273 HydrophobicContact CE-CB 4.11Å; M202-L273 HydrophobicContact CE-CD2 3.74Å; M202-L273 HydrophobicContact CE-CG 4.01Å; M202-L273 PolarHBondContact N-O 3.01Å; M202-L273 PolarHBondContact O-N 2.77Å; M202-K275 HydrophobicContact CG-CB 4.15Å; M202-K275 HydrophobicContact SD-CB 4.27Å; M202-I328 HydrophobicContact CE-CG2 3.66Å; M202-E330 HydrophobicContact CB-CG 4.47Å; M202-E330 HydrophobicContact CG-CG 3.83Å; M202-E330 HydrophobicContact SD-CB 4.32Å; M202-E330 HydrophobicContact SD-CG 3.73Å; M202-E330 PolarHBondContact SD-N 2.89Å
203Y94.1Very high93.8Very high51 Ų5149.7 Ų49.720%0.228%0.275CS..EExtended strand (participates in β ladder)trans-127.9131.3-175.8173.1-109000112.7N183 V205 N270 L271 Y272N183-Y203 HydrophobicContact CB-CD1 3.94Å; Y203-V205 HydrophobicContact CE1-CG2 3.95Å; Y203-V205 HydrophobicContact CE2-CG2 4.14Å; Y203-V205 VanDerWaalsContact CZ-CG2 3.47Å; Y203-V205 WeakPolarHBondContact OH-CG2 3.38Å; Y203-N270 HydrophobicContact CE2-CB 4.18Å; Y203-N270 PolarHBondContact OH-OD1 3.33Å; Y203-L271 WeakPolarHBondContact CA-O 3.47Å; Y203-L271 WeakPolarHBondContact CD2-O 3.42Å; Y203-Y272 AromaticContact CD2-CD1 3.57Å; Y203-Y272 HydrophobicContact CD2-CD1 3.57Å; Y203-Y272 HydrophobicContact CD2-CD2 4.13Å; Y203-Y272 AromaticContact CD2-CE1 3.27Å; Y203-Y272 HydrophobicContact CD2-CE1 3.27Å; Y203-Y272 AromaticContact CD2-CE2 3.86Å; Y203-Y272 HydrophobicContact CD2-CE2 3.86Å; Y203-Y272 AromaticContact CD2-CG 3.99Å; Y203-Y272 HydrophobicContact CD2-CG 3.99Å; Y203-Y272 AromaticContact CD2-CZ 3.42Å; Y203-Y272 VanDerWaalsContact CD2-CZ 3.42Å; Y203-Y272 HydrophobicContact CE2-CD1 4.33Å; Y203-Y272 HydrophobicContact CE2-CD2 4.35Å; Y203-Y272 AromaticContact CE2-CE1 3.68Å; Y203-Y272 HydrophobicContact CE2-CE1 3.68Å; Y203-Y272 AromaticContact CE2-CE2 3.7Å; Y203-Y272 HydrophobicContact CE2-CE2 3.7Å; Y203-Y272 AromaticContact CE2-CZ 3.31Å; Y203-Y272 WeakPolarHBondContact CE2-OH 3.22Å; Y203-Y272 HydrophobicContact CG-CD1 4.25Å; Y203-Y272 AromaticContact CG-CE1 3.98Å; Y203-Y272 HydrophobicContact CG-CE1 3.98Å
204N91.9Very high94.1Very high23 Ų2348.5 Ų48.512%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-147.9144.6175-165.6-0.1000111.3S178 F179 L271S178-N204 PolarHBondContact O-ND2 3.08Å; F179-N204 HydrophobicContact CD1-CB 3.62Å; F179-N204 HydrophobicContact CE1-CB 3.83Å; F179-N204 HydrophobicContact CG-CB 4.44Å; N204-L271 PolarHBondContact N-O 3.41Å; N204-L271 VanDerWaalsContact N-O 3.08Å; N204-L271 PolarHBondContact O-N 3.24Å
205V92.5Very high94.2Very high58 Ų5851.8 Ų51.835%0.35227%0.272SS..EExtended strand (participates in β ladder)trans-111111.1173.3-172.90000108.5Y203 L268 L269 N270Y203-V205 HydrophobicContact CE1-CG2 3.95Å; Y203-V205 HydrophobicContact CE2-CG2 4.14Å; Y203-V205 VanDerWaalsContact CZ-CG2 3.47Å; Y203-V205 WeakPolarHBondContact OH-CG2 3.38Å; V205-L268 HydrophobicContact CG1-CD1 4.15Å; V205-L269 WeakPolarHBondContact CA-O 3.39Å; V205-N270 WeakPolarHBondContact CG2-OD1 3.37Å
206S92.9Very high94.3Very high28 Ų2849.7 Ų49.720%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-161176.7178.6-158.40000112.2L177 F208 L269L177-S206 WeakPolarHBondContact CD1-OG 3.48Å; S206-F208 WeakPolarHBondContact O-CD2 3.43Å; S206-L269 PolarHBondContact N-O 3.21Å; S206-L269 PolarHBondContact O-N 3.12Å
207Y93.1Very high94.4Very high123 Ų12352.3 Ų52.348%0.48226%0.263SS..EExtended strand (participates in β ladder)trans-79.4119172-74.3-84.4000110.1N266 T267 L268Y207-N266 WeakPolarHBondContact CB-OD1 3.48Å; Y207-T267 WeakPolarHBondContact CA-O 3.39Å; Y207-L268 HydrophobicContact CD1-CB 4.15Å; Y207-L268 HydrophobicContact CD2-CD1 4.21Å; Y207-L268 HydrophobicContact CE1-CB 3.79Å; Y207-L268 HydrophobicContact CE2-CD1 4.05Å
208F94.6Very high94.5Very high7 Ų749.8 Ų49.83%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-126.8151.3175.3-62.1-76.2000110.7L177 S206 M210 L223 T267 L269 L271L177-F208 HydrophobicContact CD1-CE1 4.06Å; L177-F208 HydrophobicContact CD1-CZ 4.37Å; S206-F208 WeakPolarHBondContact O-CD2 3.43Å; F208-M210 PolarHBondContact O-N 2.71Å; F208-L223 HydrophobicContact CD1-CD2 3.48Å; F208-L223 VanDerWaalsContact CD1-CD2 3.48Å; F208-L223 HydrophobicContact CE1-CD2 3.52Å; F208-L223 HydrophobicContact CG-CD2 4.17Å; F208-L223 HydrophobicContact CZ-CD2 4.23Å; F208-T267 PolarHBondContact N-O 2.7Å; F208-T267 PolarHBondContact O-N 3.46Å; F208-L269 HydrophobicContact CB-CD1 3.92Å; F208-L269 HydrophobicContact CB-CG 4.47Å; F208-L269 HydrophobicContact CD2-CB 4.17Å; F208-L269 HydrophobicContact CD2-CD1 4.35Å; F208-L269 HydrophobicContact CD2-CG 4.49Å; F208-L271 HydrophobicContact CD2-CB 4.43Å; F208-L271 HydrophobicContact CD2-CD2 4.31Å; F208-L271 HydrophobicContact CE1-CD2 4.29Å; F208-L271 HydrophobicContact CE2-CB 3.98Å; F208-L271 HydrophobicContact CE2-CD2 3.83Å; F208-L271 HydrophobicContact CZ-CD2 3.81Å
209N95.7Very high94.7Very high67 Ų6746.7 Ų46.736%0.35823%0.23SC..EExtended strand (participates in β ladder)trans-75.1111.1174.8-76.1-37.4000109.2I221 K222 F264N209-I221 CarbonylContact O-C 3.14Å; N209-I221 VanDerWaalsContact O-CA 3.3Å; N209-I221 WeakPolarHBondContact O-CA 3.46Å; N209-K222 HydrophobicContact CB-CB 4.21Å; N209-K222 PolarHBondContact O-N 2.95Å; N209-F264 HydrophobicContact CB-CB 3.85Å; N209-F264 HydrophobicContact CB-CD1 4.4Å; N209-F264 HydrophobicContact CB-CG 4.49Å; N209-F264 WeakPolarHBondContact O-CD1 3.41Å
210M96.6Very high94.9Very high15 Ų1546.1 Ų46.17%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-119150.7-178.2-173.6178.3174.400111.7F208 I212 R219 A220 I221 F264 E265 L269 V355 F357F208-M210 PolarHBondContact O-N 2.71Å; M210-I212 HydrophobicContact CE-CG1 4.37Å; M210-R219 HydrophobicContact CE-CB 3.89Å; M210-R219 HydrophobicContact CE-CG 4.42Å; M210-A220 CarbonylContact C-O 3.53Å; M210-A220 WeakPolarHBondContact CA-O 3.31Å; M210-I221 HydrophobicContact CB-CG2 4.06Å; M210-I221 HydrophobicContact CG-CG2 3.92Å; M210-F264 CarbonylContact O-C 3.56Å; M210-F264 WeakPolarHBondContact O-CA 3.33Å; M210-E265 PolarHBondContact N-O 2.77Å; M210-E265 PolarHBondContact O-N 3.14Å; M210-L269 HydrophobicContact CB-CD1 4.23Å; M210-L269 HydrophobicContact SD-CD1 4.08Å; M210-L269 HydrophobicContact SD-CD2 3.59Å; M210-L269 VanDerWaalsContact SD-CD2 3.59Å; M210-L269 HydrophobicContact SD-CG 4.5Å; M210-V355 HydrophobicContact CE-CG1 4.38Å; M210-V355 HydrophobicContact SD-CG1 4.13Å; M210-F357 HydrophobicContact CE-CD2 3.89Å; M210-F357 HydrophobicContact CE-CE2 4.26Å; M210-F357 HydrophobicContact SD-CD2 4.27Å
211V96.7Very high95.1Very high16 Ų1643 Ų4310%0.09721%0.212CC..EExtended strand (participates in β ladder)trans-140.5139.1168.468.30000110.5L213 R219 A220 R262 F264V211-L213 HydrophobicContact CG1-CD1 4.35Å; V211-L213 HydrophobicContact CG1-CD2 3.98Å; V211-L213 HydrophobicContact CG1-CG 4.09Å; V211-L213 HydrophobicContact CG2-CD2 4.2Å; V211-R219 WeakPolarHBondContact O-CA 3.41Å; V211-A220 HydrophobicContact CG1-CB 3.91Å; V211-A220 PolarHBondContact N-O 3.39Å; V211-A220 PolarHBondContact O-N 3.45Å; V211-R262 HydrophobicContact CG2-CB 4.36Å; V211-F264 HydrophobicContact CB-CD1 3.94Å; V211-F264 HydrophobicContact CB-CD2 4.42Å; V211-F264 HydrophobicContact CB-CE1 4.08Å; V211-F264 HydrophobicContact CB-CG 4.13Å; V211-F264 HydrophobicContact CB-CZ 4.35Å; V211-F264 HydrophobicContact CG1-CD1 3.78Å; V211-F264 HydrophobicContact CG1-CD2 4.34Å; V211-F264 HydrophobicContact CG1-CE1 3.38Å; V211-F264 HydrophobicContact CG1-CE2 3.96Å; V211-F264 HydrophobicContact CG1-CG 4.26Å; V211-F264 HydrophobicContact CG1-CZ 3.47Å; V211-F264 VanDerWaalsContact CG1-CZ 3.47Å
212I96.6Very high95.2Very high116 Ų11643.9 Ų43.960%0.59522%0.215SC*.EExtended strand (participates in β ladder)trans-89.8134.5170.6-57.2175.2000108M210 P214M210-I212 HydrophobicContact CE-CG1 4.37Å; I212-P214 HydrophobicContact CG2-CG 4.19Å; I212-P214 WeakPolarHBondContact O-CD 3.31Å
213L95.7Very high95.2Very high3 Ų344 Ų442%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-120.875.9-176.2-57.7166.5000110V211 H215 L216 K217 S218 A220 I235 I259 R262V211-L213 HydrophobicContact CG1-CD1 4.35Å; V211-L213 HydrophobicContact CG1-CD2 3.98Å; V211-L213 HydrophobicContact CG1-CG 4.09Å; V211-L213 HydrophobicContact CG2-CD2 4.2Å; L213-H215 VanDerWaalsContact C-N 3.27Å; L213-H215 PolarHBondContact O-N 2.93Å; L213-L216 HydrophobicContact CB-CB 4.1Å; L213-L216 HydrophobicContact CB-CD1 4.4Å; L213-L216 HydrophobicContact CB-CG 4.43Å; L213-L216 HydrophobicContact CD1-CD1 4.18Å; L213-L216 CarbonylContact O-C 3.55Å; L213-L216 PolarHBondContact O-N 2.68Å; L213-K217 PolarHBondContact O-N 2.91Å; L213-K217 VanDerWaalsContact O-N 3.08Å; L213-S218 CarbonylContact C-O 3.41Å; L213-S218 VanDerWaalsContact CA-O 3.32Å; L213-S218 WeakPolarHBondContact CA-O 3.28Å; L213-S218 WeakPolarHBondContact CB-O 3.12Å; L213-S218 PolarHBondContact N-O 3.35Å; L213-S218 PolarHBondContact O-N 3.47Å; L213-S218 VanDerWaalsContact O-N 3.16Å; L213-A220 HydrophobicContact CD1-CB 3.81Å; L213-I235 HydrophobicContact CD1-CG2 4.23Å; L213-I259 HydrophobicContact CD1-CD1 4.47Å; L213-I259 HydrophobicContact CD1-CG2 4.06Å; L213-R262 VanDerWaalsContact CD2-CD 3.5Å
214P94.3Very high95.2Very high87 Ų8743.4 Ų43.457%0.56522%0.219SC*.G310 helixtrans-58.7-36.8-176-24.434.5000113.4I212 L216 K217I212-P214 HydrophobicContact CG2-CG 4.19Å; I212-P214 WeakPolarHBondContact O-CD 3.31Å; P214-L216 PolarHBondContact O-N 3.49Å; P214-K217 PolarHBondContact O-N 3.23Å; P214-K217 VanDerWaalsContact O-N 3.12Å
215H93.4Very high95.3Very high133 Ų13342.4 Ų42.462%0.61621%0.213SC*.G310 helixtrans-67.4-24.1179-56.6-61.7000113.4L213L213-H215 VanDerWaalsContact C-N 3.27Å; L213-H215 PolarHBondContact O-N 2.93Å
216L94.8Very high95.2Very high6 Ų642 Ų423%0.03121%0.209CC..G310 helixtrans-101.44.6175.6-57.4-177.4000112.1L213 P214 S218 L246 L249 D253 I259L213-L216 HydrophobicContact CB-CB 4.1Å; L213-L216 HydrophobicContact CB-CD1 4.4Å; L213-L216 HydrophobicContact CB-CG 4.43Å; L213-L216 HydrophobicContact CD1-CD1 4.18Å; L213-L216 CarbonylContact O-C 3.55Å; L213-L216 PolarHBondContact O-N 2.68Å; P214-L216 PolarHBondContact O-N 3.49Å; L216-S218 WeakPolarHBondContact O-CB 3.43Å; L216-S218 PolarHBondContact O-N 2.96Å; L216-S218 VanDerWaalsContact O-N 3.13Å; L216-S218 PolarHBondContact O-OG 2.87Å; L216-L246 HydrophobicContact CB-CD1 4.13Å; L216-L246 HydrophobicContact CD1-CD1 4.3Å; L216-L249 HydrophobicContact CD2-CB 3.57Å; L216-D253 HydrophobicContact CD2-CB 4.19Å; L216-I259 HydrophobicContact CD1-CD1 3.58Å; L216-I259 HydrophobicContact CD1-CG1 4.03Å
217K96Very high95Very high116 Ų11641.1 Ų41.150%0.50420%0.201SC..THydrogen-bonded Turntrans47.639.3-173.2-53.1175.4-171.3166.40112.6L213 P214 N238 D245L213-K217 PolarHBondContact O-N 2.91Å; L213-K217 VanDerWaalsContact O-N 3.08Å; P214-K217 PolarHBondContact O-N 3.23Å; P214-K217 VanDerWaalsContact O-N 3.12Å; K217-N238 WeakPolarHBondContact O-CB 3.31Å; K217-N238 PolarHBondContact O-N 3.15Å; K217-N238 PolarHBondContact O-ND2 3.06Å; K217-D245 IonicContact NZ-OD2 3.08Å; K217-D245 PolarHBondContact NZ-OD2 3.27Å; K217-D245 VanDerWaalsContact NZ-OD2 3.08Å
218S97.4Very high94.9Very high1 Ų140 Ų401%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-143.2172.4-168.8-610000111.1L213 L216 L236 P237L213-S218 CarbonylContact C-O 3.41Å; L213-S218 VanDerWaalsContact CA-O 3.32Å; L213-S218 WeakPolarHBondContact CA-O 3.28Å; L213-S218 WeakPolarHBondContact CB-O 3.12Å; L213-S218 PolarHBondContact N-O 3.35Å; L213-S218 PolarHBondContact O-N 3.47Å; L213-S218 VanDerWaalsContact O-N 3.16Å; L216-S218 WeakPolarHBondContact O-CB 3.43Å; L216-S218 PolarHBondContact O-N 2.96Å; L216-S218 VanDerWaalsContact O-N 3.13Å; L216-S218 PolarHBondContact O-OG 2.87Å; S218-L236 CarbonylContact C-O 3.57Å; S218-L236 VanDerWaalsContact CA-O 3.29Å; S218-L236 WeakPolarHBondContact CA-O 3.4Å; S218-L236 VanDerWaalsContact CB-O 3.31Å; S218-L236 WeakPolarHBondContact CB-O 3.46Å; S218-P237 WeakPolarHBondContact OG-CA 3.34Å
219R97.1Very high94.7Very high54 Ų5441.5 Ų41.520%0.20422%0.216CC..EExtended strand (participates in β ladder)trans-133.2151.2170.752.1177.5-171.8178.62.6109.3M210 V211 L236 E356 F357M210-R219 HydrophobicContact CE-CB 3.89Å; M210-R219 HydrophobicContact CE-CG 4.42Å; V211-R219 WeakPolarHBondContact O-CA 3.41Å; R219-L236 HydrophobicContact CG-CB 4.29Å; R219-L236 PolarHBondContact N-O 3.02Å; R219-L236 PolarHBondContact O-N 3.46Å; R219-E356 PolarHBondContact NH1-O 2.65Å; R219-E356 PolarHBondContact NH2-O 2.85Å; R219-F357 HydrophobicContact CB-CE2 3.95Å; R219-F357 HydrophobicContact CG-CD2 4.14Å; R219-F357 HydrophobicContact CG-CE2 3.45Å; R219-F357 VanDerWaalsContact CG-CE2 3.45Å; R219-F357 HydrophobicContact CG-CZ 4.1Å
220A97.8Very high94.6Very high0 Ų038.3 Ų38.30%020%0.199CC..EExtended strand (participates in β ladder)trans-134.6149.5-178.700000112.1M210 V211 L213 L233 V234 I235 F264M210-A220 CarbonylContact C-O 3.53Å; M210-A220 WeakPolarHBondContact CA-O 3.31Å; V211-A220 HydrophobicContact CG1-CB 3.91Å; V211-A220 PolarHBondContact N-O 3.39Å; V211-A220 PolarHBondContact O-N 3.45Å; L213-A220 HydrophobicContact CD1-CB 3.81Å; A220-L233 HydrophobicContact CB-CD1 4.17Å; A220-V234 CarbonylContact C-O 3.57Å; A220-V234 WeakPolarHBondContact CA-O 3.45Å; A220-V234 WeakPolarHBondContact CB-O 3.39Å; A220-I235 HydrophobicContact CB-CB 4.35Å; A220-I235 HydrophobicContact CB-CG1 3.93Å; A220-I235 HydrophobicContact CB-CG2 4.32Å; A220-F264 HydrophobicContact CB-CE1 4.26Å
221I97.3Very high94.5Very high0 Ų038.2 Ų38.20%020%0.198CC..EExtended strand (participates in β ladder)trans-130.9150.4175.657.2171000110.4N209 M210 L223 L233 V234 L269 L271 F357N209-I221 CarbonylContact O-C 3.14Å; N209-I221 VanDerWaalsContact O-CA 3.3Å; N209-I221 WeakPolarHBondContact O-CA 3.46Å; M210-I221 HydrophobicContact CB-CG2 4.06Å; M210-I221 HydrophobicContact CG-CG2 3.92Å; I221-L223 HydrophobicContact CD1-CD1 4.05Å; I221-L223 HydrophobicContact CD1-CD2 4.19Å; I221-L223 HydrophobicContact CD1-CG 4.13Å; I221-L233 WeakPolarHBondContact O-CA 3.45Å; I221-V234 HydrophobicContact CD1-CB 4.37Å; I221-V234 HydrophobicContact CG1-CB 3.87Å; I221-V234 PolarHBondContact N-O 3.11Å; I221-V234 PolarHBondContact O-N 3.2Å; I221-L269 HydrophobicContact CG2-CD1 3.73Å; I221-L271 HydrophobicContact CD1-CD1 3.44Å; I221-L271 VanDerWaalsContact CD1-CD1 3.44Å; I221-L271 HydrophobicContact CD1-CD2 4.41Å; I221-F357 HydrophobicContact CB-CE2 4.44Å; I221-F357 HydrophobicContact CB-CZ 4.38Å; I221-F357 HydrophobicContact CD1-CD1 3.63Å; I221-F357 HydrophobicContact CD1-CE1 3.55Å; I221-F357 HydrophobicContact CD1-CG 4.26Å; I221-F357 HydrophobicContact CD1-CZ 4.14Å; I221-F357 HydrophobicContact CG1-CD1 4.23Å; I221-F357 HydrophobicContact CG1-CE1 3.74Å; I221-F357 HydrophobicContact CG1-CE2 4.35Å; I221-F357 HydrophobicContact CG1-CZ 3.82Å; I221-F357 HydrophobicContact CG2-CD1 4.31Å; I221-F357 HydrophobicContact CG2-CD2 3.56Å; I221-F357 HydrophobicContact CG2-CE1 4.27Å; I221-F357 HydrophobicContact CG2-CE2 3.51Å; I221-F357 HydrophobicContact CG2-CG 3.98Å; I221-F357 HydrophobicContact CG2-CZ 3.9Å
222K96Very high94.5Very high17 Ų1737.5 Ų37.57%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-109.8126.9168.2-67178177.7-179.40109.4N209 M231 L232 L233 F264N209-K222 HydrophobicContact CB-CB 4.21Å; N209-K222 PolarHBondContact O-N 2.95Å; K222-M231 HydrophobicContact CB-SD 4.49Å; K222-M231 HydrophobicContact CD-SD 4.21Å; K222-L232 CarbonylContact C-O 3.55Å; K222-L232 WeakPolarHBondContact CA-O 3.41Å; K222-L233 HydrophobicContact CG-CD1 4.18Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CD2 4.39Å; K222-F264 HydrophobicContact CD-CE1 4.22Å; K222-F264 HydrophobicContact CD-CE2 4.43Å; K222-F264 HydrophobicContact CD-CG 4.31Å; K222-F264 HydrophobicContact CD-CZ 4.33Å; K222-F264 HydrophobicContact CG-CD1 4.07Å; K222-F264 HydrophobicContact CG-CE1 3.82Å; K222-F264 HydrophobicContact CG-CZ 4.22Å
223L94.9Very high94.5Very high3 Ų332 Ų322%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-112.1110.9177.3-59.9165.4000108.7W175 F208 I221 M231 L232 V234 L271 L273W175-L223 HydrophobicContact CE3-CB 4.19Å; W175-L223 HydrophobicContact CH2-CB 4.49Å; W175-L223 HydrophobicContact CZ3-CB 3.72Å; F208-L223 HydrophobicContact CD1-CD2 3.48Å; F208-L223 VanDerWaalsContact CD1-CD2 3.48Å; F208-L223 HydrophobicContact CE1-CD2 3.52Å; F208-L223 HydrophobicContact CG-CD2 4.17Å; F208-L223 HydrophobicContact CZ-CD2 4.23Å; I221-L223 HydrophobicContact CD1-CD1 4.05Å; I221-L223 HydrophobicContact CD1-CD2 4.19Å; I221-L223 HydrophobicContact CD1-CG 4.13Å; L223-M231 CarbonylContact O-C 3.55Å; L223-M231 VanDerWaalsContact O-CA 3.26Å; L223-M231 WeakPolarHBondContact O-CA 3.41Å; L223-L232 HydrophobicContact CB-CB 4.17Å; L223-L232 HydrophobicContact CD1-CD2 4.09Å; L223-L232 PolarHBondContact N-O 2.56Å; L223-L232 PolarHBondContact O-N 3.5Å; L223-V234 HydrophobicContact CD1-CG2 4.37Å; L223-L271 HydrophobicContact CD1-CD2 4.28Å; L223-L271 HydrophobicContact CD2-CD2 3.39Å; L223-L271 HydrophobicContact CG-CD2 4.46Å; L223-L273 HydrophobicContact CD1-CD2 3.81Å
224P94.1Very high94.6Very high39 Ų3931.8 Ų31.825%0.25317%0.165SC..EExtended strand (participates in β ladder)trans-72.4139.7178.827.9-30.9000111.8D176 M231D176-P224 HydrophobicContact CB-CB 4.13Å; D176-P224 HydrophobicContact CB-CG 4.04Å; D176-P224 WeakPolarHBondContact CB-O 3.22Å; D176-P224 PolarHBondContact N-O 2.85Å; P224-M231 HydrophobicContact CB-CG 4.34Å
225F93Very high94.7Very high2 Ų227.7 Ų27.71%0.00914%0.138CC..BIsolated β-bridgetrans-86167.7163.4-64.2-79.3000109.7V88 F171 G173 L174 W175 D227 Y230 L232 I367V88-F225 HydrophobicContact CG2-CB 4.3Å; F171-F225 HydrophobicContact CE1-CD2 4.46Å; F171-F225 HydrophobicContact CE1-CE1 4.05Å; F171-F225 AromaticContact CE1-CE2 3.9Å; F171-F225 HydrophobicContact CE1-CE2 3.9Å; F171-F225 AromaticContact CE1-CZ 3.67Å; F171-F225 HydrophobicContact CE1-CZ 3.67Å; F171-F225 HydrophobicContact CZ-CD2 4.14Å; F171-F225 AromaticContact CZ-CE2 3.94Å; F171-F225 HydrophobicContact CZ-CE2 3.94Å; F171-F225 HydrophobicContact CZ-CZ 4.17Å; G173-F225 VanDerWaalsContact C-CD1 3.47Å; G173-F225 WeakPolarHBondContact O-CD1 3.4Å; G173-F225 WeakPolarHBondContact O-CE1 3.45Å; L174-F225 CarbonylContact O-C 3.58Å; L174-F225 VanDerWaalsContact O-CA 3.26Å; L174-F225 WeakPolarHBondContact O-CA 3.26Å; L174-F225 WeakPolarHBondContact O-CB 3.22Å; L174-F225 WeakPolarHBondContact O-CD1 3.44Å; W175-F225 HydrophobicContact CD2-CD1 4.37Å; W175-F225 HydrophobicContact CD2-CE1 4.2Å; W175-F225 AromaticContact CE3-CD1 3.78Å; W175-F225 HydrophobicContact CE3-CD1 3.78Å; W175-F225 AromaticContact CE3-CE1 3.66Å; W175-F225 HydrophobicContact CE3-CE1 3.66Å; W175-F225 HydrophobicContact CE3-CG 4.47Å; W175-F225 HydrophobicContact CE3-CZ 4.24Å; 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 3.61Å; W175-F225 HydrophobicContact CH2-CZ 3.61Å; W175-F225 HydrophobicContact CZ2-CE1 4.12Å; W175-F225 AromaticContact CZ3-CD1 3.84Å; W175-F225 HydrophobicContact CZ3-CD1 3.84Å; W175-F225 AromaticContact CZ3-CE1 3.3Å; W175-F225 HydrophobicContact CZ3-CE1 3.3Å; W175-F225 HydrophobicContact CZ3-CE2 4.09Å; W175-F225 HydrophobicContact CZ3-CG 4.44Å; W175-F225 AromaticContact CZ3-CZ 3.45Å; W175-F225 HydrophobicContact CZ3-CZ 3.45Å; W175-F225 VanDerWaalsContact CZ3-CZ 3.45Å; F225-D227 CarbonylContact O-C 3.37Å; F225-D227 PolarHBondContact O-N 3.3Å; F225-Y230 PolarHBondContact N-O 2.75Å; F225-L232 HydrophobicContact CE2-CB 3.99Å; F225-L232 HydrophobicContact CZ-CB 4.05Å; F225-I367 HydrophobicContact CE2-CD1 3.67Å; F225-I367 HydrophobicContact CZ-CD1 3.81Å
226I91Very high94.9Very high50 Ų5021.3 Ų21.326%0.25611%0.108SC..SBendtrans-49.9-43.9176.9-66.9-169.2000111.4E86 L174 W175 P228 V333E86-I226 WeakPolarHBondContact O-CG2 3.43Å; L174-I226 HydrophobicContact CB-CD1 3.45Å; L174-I226 VanDerWaalsContact CB-CD1 3.45Å; L174-I226 HydrophobicContact CB-CG1 3.78Å; L174-I226 HydrophobicContact CD1-CD1 3.82Å; L174-I226 HydrophobicContact CG-CD1 4.29Å; L174-I226 WeakPolarHBondContact O-CG1 3.44Å; L174-I226 PolarHBondContact O-N 3.26Å; W175-I226 WeakPolarHBondContact O-CG1 3.35Å; I226-P228 VanDerWaalsContact O-CD 3.27Å; I226-P228 WeakPolarHBondContact O-CD 3.37Å; I226-V333 HydrophobicContact CD1-CG2 3.38Å; I226-V333 HydrophobicContact CG1-CG2 3.64Å
227D90Very high95.1Very high8 Ų821.2 Ų21.24%0.04311%0.108CC..SBendtrans-79.6111.5170.4-179.5-11.3000109.1V88 F225 K229 Y230V88-D227 HydrophobicContact CG2-CB 3.84Å; F225-D227 CarbonylContact O-C 3.37Å; F225-D227 PolarHBondContact O-N 3.3Å; D227-K229 PolarHBondContact O-N 3.23Å; D227-K229 VanDerWaalsContact OD1-CB 3.29Å; D227-K229 WeakPolarHBondContact OD1-CB 3.28Å; D227-K229 WeakPolarHBondContact OD1-CE 3.29Å; D227-K229 WeakPolarHBondContact OD1-CG 3.49Å; D227-K229 PolarHBondContact OD1-N 3.22Å; D227-K229 IonicContact OD1-NZ 2.98Å; D227-K229 WeakPolarHBondContact OD2-CE 3.36Å; D227-K229 IonicContact OD2-NZ 3.88Å; D227-K229 PolarHBondContact OD2-NZ 3.3Å; D227-Y230 HydrophobicContact CB-CD2 3.93Å; D227-Y230 HydrophobicContact CB-CE2 4.39Å; D227-Y230 PolarHBondContact O-N 3.49Å; D227-Y230 VanDerWaalsContact OD2-CE2 3.22Å; D227-Y230 WeakPolarHBondContact OD2-CE2 3.42Å
228P89.8Confident95.1Very high99 Ų9920.7 Ų20.764%0.64311%0.111SC*.THydrogen-bonded Turntrans-68.1-8-174.730.7-37.7000113.3I226 Y230I226-P228 VanDerWaalsContact O-CD 3.27Å; I226-P228 WeakPolarHBondContact O-CD 3.37Å; P228-Y230 PolarHBondContact O-N 3.37Å
229K91.7Very high95Very high39 Ų3923.2 Ų23.217%0.1713%0.128CC..THydrogen-bonded Turntrans-66-27.1169.7-66173.6-69.4-177.70111D85 D227 W369 N370D85-K229 IonicContact OD2-NZ 3.41Å; D85-K229 PolarHBondContact OD2-NZ 2.85Å; D227-K229 PolarHBondContact O-N 3.23Å; D227-K229 VanDerWaalsContact OD1-CB 3.29Å; D227-K229 WeakPolarHBondContact OD1-CB 3.28Å; D227-K229 WeakPolarHBondContact OD1-CE 3.29Å; D227-K229 WeakPolarHBondContact OD1-CG 3.49Å; D227-K229 PolarHBondContact OD1-N 3.22Å; D227-K229 IonicContact OD1-NZ 2.98Å; D227-K229 WeakPolarHBondContact OD2-CE 3.36Å; D227-K229 IonicContact OD2-NZ 3.88Å; D227-K229 PolarHBondContact OD2-NZ 3.3Å; K229-W369 CarbonylContact O-C 3.55Å; K229-W369 VanDerWaalsContact O-CA 3.24Å; K229-W369 WeakPolarHBondContact O-CA 3.5Å; K229-N370 WeakPolarHBondContact CG-OD1 3.46Å; K229-N370 PolarHBondContact O-N 2.92Å
230Y92.7Very high94.9Very high1 Ų123.6 Ų23.60%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-109.6136.5-176-55.6-70.9000111.8F81 V88 I90 F171 F225 D227 P228 I367 I368 W369F81-Y230 AromaticContact CD2-CE1 3.67Å; F81-Y230 HydrophobicContact CD2-CE1 3.67Å; F81-Y230 AromaticContact CD2-CZ 3.98Å; F81-Y230 WeakPolarHBondContact CD2-OH 3.37Å; F81-Y230 AromaticContact CE2-CE1 3.57Å; F81-Y230 HydrophobicContact CE2-CE1 3.57Å; F81-Y230 PolarHBondContact O-OH 3.09Å; V88-Y230 HydrophobicContact CB-CD2 4.35Å; V88-Y230 HydrophobicContact CB-CE2 4.43Å; V88-Y230 HydrophobicContact CG1-CD2 4.01Å; V88-Y230 HydrophobicContact CG1-CE2 4Å; V88-Y230 HydrophobicContact CG2-CD2 4Å; I90-Y230 HydrophobicContact CD1-CE1 3.92Å; I90-Y230 HydrophobicContact CD1-CE2 3.93Å; I90-Y230 VanDerWaalsContact CD1-CZ 3.45Å; I90-Y230 VanDerWaalsContact CD1-OH 3.31Å; I90-Y230 WeakPolarHBondContact CD1-OH 3.3Å; F171-Y230 HydrophobicContact CE2-CD1 4.06Å; F171-Y230 HydrophobicContact CE2-CG 4.15Å; F171-Y230 HydrophobicContact CZ-CG 4.35Å; F225-Y230 PolarHBondContact N-O 2.75Å; D227-Y230 HydrophobicContact CB-CD2 3.93Å; D227-Y230 HydrophobicContact CB-CE2 4.39Å; D227-Y230 PolarHBondContact O-N 3.49Å; D227-Y230 VanDerWaalsContact OD2-CE2 3.22Å; D227-Y230 WeakPolarHBondContact OD2-CE2 3.42Å; P228-Y230 PolarHBondContact O-N 3.37Å; Y230-I367 HydrophobicContact CD1-CG2 4.42Å; Y230-I368 WeakPolarHBondContact CA-O 3.48Å; Y230-W369 HydrophobicContact CD1-CB 4.45Å; Y230-W369 AromaticContact CD1-CD1 3.73Å; Y230-W369 HydrophobicContact CD1-CG 4.45Å; Y230-W369 HydrophobicContact CE1-CB 4.42Å; Y230-W369 AromaticContact CE1-CD1 3.25Å; Y230-W369 HydrophobicContact CE1-CG 4.06Å; Y230-W369 AromaticContact CE1-NE1 3.85Å; Y230-W369 AromaticContact CZ-CD1 3.84Å
231M94.8Very high94.6Very high13 Ų1328.9 Ų28.96%0.06416%0.163CC..EExtended strand (participates in β ladder)trans-139.5145.3169.1-64.1159.6-72.900110.5K222 L223 P224 I367 I368 N371K222-M231 HydrophobicContact CB-SD 4.49Å; K222-M231 HydrophobicContact CD-SD 4.21Å; L223-M231 CarbonylContact O-C 3.55Å; L223-M231 VanDerWaalsContact O-CA 3.26Å; L223-M231 WeakPolarHBondContact O-CA 3.41Å; P224-M231 HydrophobicContact CB-CG 4.34Å; M231-I367 WeakPolarHBondContact O-CA 3.25Å; M231-I368 HydrophobicContact CE-CG2 4.47Å; M231-I368 PolarHBondContact N-O 2.9Å; M231-I368 PolarHBondContact O-N 3.03Å; M231-N371 HydrophobicContact CE-CB 4.09Å; M231-N371 WeakPolarHBondContact CE-OD1 3.5Å; M231-N371 PolarHBondContact SD-OD1 3.24Å; M231-N371 VanDerWaalsContact SD-OD1 3.39Å
232L95.7Very high94.5Very high0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans-83.8120.1165.2-171.574.7000108.9W175 K222 L223 F225 V234 L273 L326 I328 V365 I367W175-L232 HydrophobicContact CH2-CB 3.9Å; W175-L232 HydrophobicContact CH2-CD2 3.6Å; W175-L232 HydrophobicContact CH2-CG 4.32Å; W175-L232 HydrophobicContact CZ2-CD2 4.48Å; W175-L232 HydrophobicContact CZ3-CB 3.91Å; W175-L232 HydrophobicContact CZ3-CD2 4.39Å; K222-L232 CarbonylContact C-O 3.55Å; K222-L232 WeakPolarHBondContact CA-O 3.41Å; L223-L232 HydrophobicContact CB-CB 4.17Å; L223-L232 HydrophobicContact CD1-CD2 4.09Å; L223-L232 PolarHBondContact N-O 2.56Å; L223-L232 PolarHBondContact O-N 3.5Å; F225-L232 HydrophobicContact CE2-CB 3.99Å; F225-L232 HydrophobicContact CZ-CB 4.05Å; L232-V234 HydrophobicContact CD2-CG2 3.69Å; L232-V234 HydrophobicContact CG-CG2 3.97Å; L232-L273 HydrophobicContact CD2-CD2 4.33Å; L232-L326 HydrophobicContact CD1-CD2 4.39Å; L232-I328 HydrophobicContact CD1-CD1 4.41Å; L232-I328 HydrophobicContact CD2-CD1 4.24Å; L232-V365 HydrophobicContact CD1-CG2 3.3Å; L232-V365 HydrophobicContact CD2-CG2 4.33Å; L232-V365 HydrophobicContact CG-CG2 4.01Å; L232-I367 HydrophobicContact CB-CD1 4.37Å; L232-I367 HydrophobicContact CD1-CD1 3.43Å; L232-I367 VanDerWaalsContact CD1-CD1 3.43Å; L232-I367 HydrophobicContact CD1-CG1 4.36Å
233L96.7Very high94.4Very high0 Ų028.3 Ų28.30%016%0.162CC..EExtended strand (participates in β ladder)trans-92.4120.8165.3176.468.1000108.3A220 I221 K222 I235 I256 L260 F264 V365 S366 I368A220-L233 HydrophobicContact CB-CD1 4.17Å; I221-L233 WeakPolarHBondContact O-CA 3.45Å; K222-L233 HydrophobicContact CG-CD1 4.18Å; L233-I235 HydrophobicContact CD1-CG1 4.4Å; L233-I235 HydrophobicContact CD2-CD1 4.17Å; L233-I235 HydrophobicContact CD2-CG1 4.29Å; L233-I235 HydrophobicContact CG-CG1 4.09Å; L233-I256 HydrophobicContact CD2-CG2 4.14Å; L233-L260 HydrophobicContact CD2-CD2 4.13Å; L233-F264 HydrophobicContact CD1-CE1 4.24Å; L233-F264 HydrophobicContact CD1-CZ 4.08Å; L233-V365 WeakPolarHBondContact O-CA 3.32Å; L233-S366 PolarHBondContact N-O 3.24Å; L233-S366 PolarHBondContact O-N 3.03Å; L233-I368 HydrophobicContact CB-CD1 4.36Å; L233-I368 HydrophobicContact CB-CG1 3.83Å; L233-I368 HydrophobicContact CD2-CD1 4.36Å; L233-I368 HydrophobicContact CD2-CG1 4.48Å
234V97.3Very high94.3Very high0 Ų030.3 Ų30.30%018%0.175CC..EExtended strand (participates in β ladder)trans-110.9127.8171178.70000108.1A220 I221 L223 L232 L273 F357 V359 F363A220-V234 CarbonylContact C-O 3.57Å; A220-V234 WeakPolarHBondContact CA-O 3.45Å; A220-V234 WeakPolarHBondContact CB-O 3.39Å; I221-V234 HydrophobicContact CD1-CB 4.37Å; I221-V234 HydrophobicContact CG1-CB 3.87Å; I221-V234 PolarHBondContact N-O 3.11Å; I221-V234 PolarHBondContact O-N 3.2Å; L223-V234 HydrophobicContact CD1-CG2 4.37Å; L232-V234 HydrophobicContact CD2-CG2 3.69Å; L232-V234 HydrophobicContact CG-CG2 3.97Å; V234-L273 HydrophobicContact CG2-CD1 4.12Å; V234-F357 HydrophobicContact CG1-CE1 4.26Å; V234-V359 HydrophobicContact CG1-CG2 4.07Å; V234-F363 HydrophobicContact CG1-CD2 3.86Å; V234-F363 HydrophobicContact CG1-CE2 4.42Å; V234-F363 HydrophobicContact CG1-CG 4.48Å
235I97.7Very high94.3Very high0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-117.4116.4173.3-47.6172.5000107.9L213 A220 L233 L246 M250 I259 F364L213-I235 HydrophobicContact CD1-CG2 4.23Å; A220-I235 HydrophobicContact CB-CB 4.35Å; A220-I235 HydrophobicContact CB-CG1 3.93Å; A220-I235 HydrophobicContact CB-CG2 4.32Å; L233-I235 HydrophobicContact CD1-CG1 4.4Å; L233-I235 HydrophobicContact CD2-CD1 4.17Å; L233-I235 HydrophobicContact CD2-CG1 4.29Å; L233-I235 HydrophobicContact CG-CG1 4.09Å; I235-L246 HydrophobicContact CB-CD2 4.17Å; I235-L246 HydrophobicContact CG2-CD1 3.82Å; I235-L246 HydrophobicContact CG2-CD2 3.72Å; I235-L246 HydrophobicContact CG2-CG 4.44Å; I235-M250 HydrophobicContact CD1-SD 4.23Å; I235-I259 HydrophobicContact CD1-CD1 3.51Å; I235-I259 HydrophobicContact CD1-CG2 4.5Å; I235-F364 HydrophobicContact CB-CB 4.23Å; I235-F364 HydrophobicContact CB-CD1 4.31Å; I235-F364 HydrophobicContact CD1-CD1 3.58Å; I235-F364 HydrophobicContact CD1-CE1 4.1Å; I235-F364 HydrophobicContact CD1-CG 4.42Å; I235-F364 HydrophobicContact CG1-CD1 3.96Å; I235-F364 PolarHBondContact N-O 2.81Å; I235-F364 PolarHBondContact O-N 3.41Å
236L98.1Very high94.4Very high0 Ų032.1 Ų32.10%018%0.183CC..EExtended strand (participates in β ladder)trans-110.2119.6-175.9-172.568.9000109.6S218 R219 F357 R358 V359 H361 F363S218-L236 CarbonylContact C-O 3.57Å; S218-L236 VanDerWaalsContact CA-O 3.29Å; S218-L236 WeakPolarHBondContact CA-O 3.4Å; S218-L236 VanDerWaalsContact CB-O 3.31Å; S218-L236 WeakPolarHBondContact CB-O 3.46Å; R219-L236 HydrophobicContact CG-CB 4.29Å; R219-L236 PolarHBondContact N-O 3.02Å; R219-L236 PolarHBondContact O-N 3.46Å; L236-F357 HydrophobicContact CB-CE1 4.09Å; L236-F357 HydrophobicContact CB-CZ 3.72Å; L236-F357 HydrophobicContact CD2-CE1 4.13Å; L236-F357 HydrophobicContact CD2-CZ 4.32Å; L236-R358 WeakPolarHBondContact CD2-O 3.39Å; L236-V359 HydrophobicContact CD1-CG1 4.21Å; L236-V359 HydrophobicContact CD2-CG2 4.4Å; L236-H361 VanDerWaalsContact CD1-CE1 3.48Å; L236-H361 WeakPolarHBondContact CD1-CE1 3.35Å; L236-H361 WeakPolarHBondContact CD1-NE2 3.37Å; L236-F363 HydrophobicContact CD1-CB 3.86Å
237P97.7Very high94.5Very high3 Ų329.9 Ų29.92%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-57.3157.3168.6-21.232.5000112.5S218 S239 L243 L246 H361 S362S218-P237 WeakPolarHBondContact OG-CA 3.34Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-L243 HydrophobicContact CG-CB 4.43Å; P237-L246 HydrophobicContact CG-CB 4.14Å; P237-L246 HydrophobicContact CG-CD2 3.78Å; P237-H361 PolarHBondContact O-CE1 3.41Å; P237-H361 PolarHBondContact O-NE2 3.3Å; P237-S362 WeakPolarHBondContact CD-O 3.36Å
238N96.7Very high94.6Very high106 Ų10634.2 Ų34.257%0.56719%0.194SC*.SBendtrans-78.6-19.3174.4-67-17.7000112.6K217K217-N238 WeakPolarHBondContact O-CB 3.31Å; K217-N238 PolarHBondContact O-N 3.15Å; K217-N238 PolarHBondContact O-ND2 3.06Å
239S95.7Very high94.7Very high53 Ų5332.2 Ų32.237%0.37118%0.178SC..SBendtrans-116.8147.3177.870.20000111.1P237 D241 G242P237-S239 VanDerWaalsContact C-N 3.32Å; S239-D241 VanDerWaalsContact CB-OD1 3.28Å; S239-D241 WeakPolarHBondContact CB-OD1 3.32Å; S239-D241 PolarHBondContact O-N 2.87Å; S239-D241 VanDerWaalsContact O-N 3.16Å; S239-D241 PolarHBondContact OG-OD1 2.92Å; S239-G242 PolarHBondContact O-N 3.32Å; S239-G242 WeakPolarHBondContact OG-CA 3.42Å; S239-G242 PolarHBondContact OG-N 3.32Å
240N93.8Very high94.7Very high63 Ų6330.6 Ų30.634%0.33717%0.171SC..THydrogen-bonded Turntrans-60.8-28.9-175.7-62.44.2000113.5F190 H361F190-N240 HydrophobicContact CB-CB 4Å; F190-N240 WeakPolarHBondContact CD2-ND2 3.17Å; F190-N240 WeakPolarHBondContact CG-ND2 3.4Å; N240-H361 HydrophobicContact CB-CB 4.03Å
241D92.2Very high94.4Very high110 Ų11031.3 Ų31.359%0.58818%0.176SC*.THydrogen-bonded Turntrans-96.97.8177.164.4-12.9000113.1S239 L243 P244S239-D241 VanDerWaalsContact CB-OD1 3.28Å; S239-D241 WeakPolarHBondContact CB-OD1 3.32Å; S239-D241 PolarHBondContact O-N 2.87Å; S239-D241 VanDerWaalsContact O-N 3.16Å; S239-D241 PolarHBondContact OG-OD1 2.92Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.35Å; D241-P244 WeakPolarHBondContact O-CD 3.34Å
242G94.5Very high94Very high6 Ų636.8 Ų36.86%0.06221%0.205CC..  trans-80.7-5.6-16900000115.3S239 D245 L246S239-G242 PolarHBondContact O-N 3.32Å; S239-G242 WeakPolarHBondContact OG-CA 3.42Å; S239-G242 PolarHBondContact OG-N 3.32Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 3.15Å; G242-L246 WeakPolarHBondContact O-CB 3.32Å; G242-L246 PolarHBondContact O-N 3.09Å
243L94.9Very high93.5Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-59.2-46.3-177.9-179.765.9000113.3L26 L192 P237 D241 D245 L246 L247 F364 H379 T381L26-L243 HydrophobicContact CD1-CD2 4.12Å; L26-L243 HydrophobicContact CD1-CG 4.16Å; L192-L243 HydrophobicContact CD1-CD2 4.45Å; L192-L243 HydrophobicContact CD2-CB 4.05Å; P237-L243 HydrophobicContact CG-CB 4.43Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.35Å; L243-D245 VanDerWaalsContact C-N 3.32Å; L243-D245 PolarHBondContact O-N 2.99Å; L243-L246 HydrophobicContact CD1-CD2 4.3Å; L243-L246 WeakPolarHBondContact O-CB 3.2Å; L243-L246 PolarHBondContact O-N 3.11Å; L243-L247 HydrophobicContact CD1-CD1 4.09Å; L243-L247 HydrophobicContact CD1-CD2 4.3Å; L243-L247 HydrophobicContact CD1-CG 3.96Å; L243-L247 HydrophobicContact CD2-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 3.92Å; L243-L247 HydrophobicContact CG-CG 4.23Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 2.91Å; L243-L247 PolarHBondContact O-N 2.88Å; L243-F364 HydrophobicContact CD1-CB 4.43Å; L243-H379 HydrophobicContact CD1-CB 4.15Å; L243-H379 HydrophobicContact CD2-CB 3.94Å; L243-T381 HydrophobicContact CD2-CG2 4.02Å
244P93.3Very high92.8Very high45 Ų4542.1 Ų42.129%0.29224%0.244SC..Hα-helixtrans-59-42.4176.6-20.832.4000112.7L26 D241 L247 N248L26-P244 HydrophobicContact CD1-CB 4.21Å; L26-P244 HydrophobicContact CD1-CG 3.8Å; D241-P244 WeakPolarHBondContact O-CD 3.34Å; P244-L247 PolarHBondContact O-N 3.44Å; P244-N248 WeakPolarHBondContact O-CB 3.37Å; P244-N248 VanDerWaalsContact O-CG 3.3Å; P244-N248 PolarHBondContact O-N 2.85Å; P244-N248 PolarHBondContact O-ND2 3.44Å; P244-N248 VanDerWaalsContact O-ND2 3.15Å
245D93.2Very high92.4Very high79 Ų7942.4 Ų42.442%0.42225%0.247SC..Hα-helixtrans-61.2-47.8175.7-9615.9000110.8K217 G242 L243 L247 N248 L249K217-D245 IonicContact NZ-OD2 3.08Å; K217-D245 PolarHBondContact NZ-OD2 3.27Å; K217-D245 VanDerWaalsContact NZ-OD2 3.08Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 3.15Å; L243-D245 VanDerWaalsContact C-N 3.32Å; L243-D245 PolarHBondContact O-N 2.99Å; D245-L247 PolarHBondContact O-N 2.78Å; D245-N248 PolarHBondContact O-N 2.92Å; D245-L249 WeakPolarHBondContact O-CB 3.33Å; D245-L249 WeakPolarHBondContact O-CG 3.43Å; D245-L249 PolarHBondContact O-N 3.16Å
246L95Very high92Very high0 Ų042.7 Ų42.70%025%0.248CC..Hα-helixtrans-56.8-50.4176.3165.560.4000111.3L216 I235 P237 G242 L243 N248 L249 M250 F364L216-L246 HydrophobicContact CB-CD1 4.13Å; L216-L246 HydrophobicContact CD1-CD1 4.3Å; I235-L246 HydrophobicContact CB-CD2 4.17Å; I235-L246 HydrophobicContact CG2-CD1 3.82Å; I235-L246 HydrophobicContact CG2-CD2 3.72Å; I235-L246 HydrophobicContact CG2-CG 4.44Å; P237-L246 HydrophobicContact CG-CB 4.14Å; P237-L246 HydrophobicContact CG-CD2 3.78Å; G242-L246 WeakPolarHBondContact O-CB 3.32Å; G242-L246 PolarHBondContact O-N 3.09Å; L243-L246 HydrophobicContact CD1-CD2 4.3Å; L243-L246 WeakPolarHBondContact O-CB 3.2Å; L243-L246 PolarHBondContact O-N 3.11Å; L246-N248 VanDerWaalsContact C-N 3.35Å; L246-N248 PolarHBondContact O-N 2.93Å; L246-L249 PolarHBondContact O-N 2.68Å; L246-M250 WeakPolarHBondContact O-CB 3.48Å; L246-M250 PolarHBondContact O-N 2.77Å; L246-F364 HydrophobicContact CD2-CB 4.1Å
247L93.8Very high91.5Very high3 Ų345.1 Ų45.12%0.01627%0.266CS..Hα-helixtrans-63.1-41.4-177.3-67.6175000111.9Y15 L19 L26 L243 P244 D245 M250 C251 F364 H379Y15-L247 HydrophobicContact CE1-CD2 4.06Å; Y15-L247 WeakPolarHBondContact OH-CD2 3.34Å; L19-L247 HydrophobicContact CD1-CB 4Å; L19-L247 HydrophobicContact CD1-CD2 4.44Å; L19-L247 HydrophobicContact CD2-CD1 3.84Å; L26-L247 HydrophobicContact CD1-CD1 3.76Å; L26-L247 HydrophobicContact CD2-CD1 4.08Å; L243-L247 HydrophobicContact CD1-CD1 4.09Å; L243-L247 HydrophobicContact CD1-CD2 4.3Å; L243-L247 HydrophobicContact CD1-CG 3.96Å; L243-L247 HydrophobicContact CD2-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 3.92Å; L243-L247 HydrophobicContact CG-CG 4.23Å; L243-L247 VanDerWaalsContact O-CG 3.27Å; L243-L247 WeakPolarHBondContact O-CG 2.91Å; L243-L247 PolarHBondContact O-N 2.88Å; P244-L247 PolarHBondContact O-N 3.44Å; D245-L247 PolarHBondContact O-N 2.78Å; L247-M250 HydrophobicContact CD2-CE 4.04Å; L247-C251 WeakPolarHBondContact O-CB 3.43Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 VanDerWaalsContact O-N 3.08Å; L247-C251 PolarHBondContact O-SG 3Å; L247-F364 HydrophobicContact CD2-CD2 3.78Å; L247-H379 HydrophobicContact CD1-CB 4.48Å
248N91.5Very high91.2Very high98 Ų9846.2 Ų46.252%0.52428%0.275SS..Hα-helixtrans-65.2-46.2176.1-76.3-32.1000112P244 D245 L246 C251 N252P244-N248 WeakPolarHBondContact O-CB 3.37Å; P244-N248 VanDerWaalsContact O-CG 3.3Å; P244-N248 PolarHBondContact O-N 2.85Å; P244-N248 PolarHBondContact O-ND2 3.44Å; P244-N248 VanDerWaalsContact O-ND2 3.15Å; D245-N248 PolarHBondContact O-N 2.92Å; L246-N248 VanDerWaalsContact C-N 3.35Å; L246-N248 PolarHBondContact O-N 2.93Å; N248-C251 PolarHBondContact O-N 3.03Å; N248-N252 PolarHBondContact O-N 2.84Å; N248-N252 PolarHBondContact O-ND2 3.41Å; N248-N252 VanDerWaalsContact O-ND2 3.1Å
249L92.6Very high91Very high57 Ų5741.3 Ų41.330%0.29825%0.249SC..Hα-helixtrans-66.8-43.9179.2-70.4168.9000111.4L216 D245 L246 C251 N252 D253L216-L249 HydrophobicContact CD2-CB 3.57Å; D245-L249 WeakPolarHBondContact O-CB 3.33Å; D245-L249 WeakPolarHBondContact O-CG 3.43Å; D245-L249 PolarHBondContact O-N 3.16Å; L246-L249 PolarHBondContact O-N 2.68Å; L249-C251 VanDerWaalsContact C-N 3.3Å; L249-C251 PolarHBondContact O-N 3.23Å; L249-N252 CarbonylContact O-C 3.57Å; L249-N252 WeakPolarHBondContact O-CA 3.42Å; L249-N252 PolarHBondContact O-N 3.45Å; L249-D253 WeakPolarHBondContact O-CB 3.07Å; L249-D253 PolarHBondContact O-N 2.85Å
250M91Very high90.8Very high5 Ų539.7 Ų39.73%0.02524%0.236CC..Hα-helixtrans-58.8-41.1176.3-176.6179.767.900111.4Y15 I235 L246 L247 N252 D253 G255 I256 I259 F364Y15-M250 HydrophobicContact CD1-CE 4.3Å; Y15-M250 HydrophobicContact CE1-CE 3.82Å; I235-M250 HydrophobicContact CD1-SD 4.23Å; L246-M250 WeakPolarHBondContact O-CB 3.48Å; L246-M250 PolarHBondContact O-N 2.77Å; L247-M250 HydrophobicContact CD2-CE 4.04Å; M250-N252 PolarHBondContact O-N 3.5Å; M250-D253 PolarHBondContact O-N 3.21Å; M250-G255 WeakPolarHBondContact O-CA 3.14Å; M250-G255 PolarHBondContact O-N 3.32Å; M250-I256 HydrophobicContact SD-CG1 4.11Å; M250-I259 HydrophobicContact CG-CD1 4.14Å; M250-I259 HydrophobicContact SD-CD1 4.21Å; M250-F364 HydrophobicContact CE-CD2 3.87Å; M250-F364 HydrophobicContact CE-CE2 3.73Å; M250-F364 HydrophobicContact CE-CG 4.43Å; M250-F364 HydrophobicContact CE-CZ 4.14Å; M250-F364 HydrophobicContact SD-CE1 4.41Å; M250-F364 HydrophobicContact SD-CE2 4.49Å; M250-F364 HydrophobicContact SD-CZ 4.42Å
251C87.2Confident90.7Very high16 Ų1641.4 Ų41.411%0.10825%0.252CS..Hα-helixtrans-63.8-24.9174.9-72.80000113.4R16 L247 N248 L249R16-C251 HydrophobicContact CG-CB 4.35Å; R16-C251 PolarHBondContact NH1-O 3.28Å; R16-C251 PolarHBondContact NH2-O 2.89Å; L247-C251 WeakPolarHBondContact O-CB 3.43Å; L247-C251 PolarHBondContact O-N 2.94Å; L247-C251 VanDerWaalsContact O-N 3.08Å; L247-C251 PolarHBondContact O-SG 3Å; N248-C251 PolarHBondContact O-N 3.03Å; L249-C251 VanDerWaalsContact C-N 3.3Å; L249-C251 PolarHBondContact O-N 3.23Å
252N85.6Confident90.7Very high128 Ų12840.9 Ų40.968%0.68424%0.242SC*.Hα-helixtrans-96.3-22.2-178.4-67.1-32.5000113.4N248 L249 M250N248-N252 PolarHBondContact O-N 2.84Å; N248-N252 PolarHBondContact O-ND2 3.41Å; N248-N252 VanDerWaalsContact O-ND2 3.1Å; L249-N252 CarbonylContact O-C 3.57Å; L249-N252 WeakPolarHBondContact O-CA 3.42Å; L249-N252 PolarHBondContact O-N 3.45Å; M250-N252 PolarHBondContact O-N 3.5Å
253D84.3Confident90.7Very high71 Ų7145.7 Ų45.738%0.3828%0.275SS..THydrogen-bonded Turntrans-100.638.2-176.1-165.340.7000113L216 L249 M250 G255 A258L216-D253 HydrophobicContact CD2-CB 4.19Å; L249-D253 WeakPolarHBondContact O-CB 3.07Å; L249-D253 PolarHBondContact O-N 2.85Å; M250-D253 PolarHBondContact O-N 3.21Å; D253-G255 VanDerWaalsContact C-N 3.3Å; D253-G255 PolarHBondContact O-N 3.13Å; D253-A258 WeakPolarHBondContact O-CB 3.5Å
254G82.9Confident90.7Very high41 Ų4147 Ų4742%0.42328%0.281SS..THydrogen-bonded Turntrans72.816177.100000115.6A258G254-A258 PolarHBondContact O-N 3.16Å
255G87.8Confident90.8Very high7 Ų751.7 Ų51.77%0.07230%0.299CS..Hα-helixtrans70.8-157.5167.900000115.1M250 D253 S257 A258M250-G255 WeakPolarHBondContact O-CA 3.14Å; M250-G255 PolarHBondContact O-N 3.32Å; D253-G255 VanDerWaalsContact C-N 3.3Å; D253-G255 PolarHBondContact O-N 3.13Å; G255-S257 VanDerWaalsContact C-N 3.26Å; G255-S257 PolarHBondContact O-N 3.1Å; G255-A258 PolarHBondContact O-N 2.86Å
256I90.1Very high90.9Very high5 Ų552.8 Ų52.83%0.02631%0.305CS..Hα-helixtrans-65-35.3179.7-60.3168.2000110.1L233 M250 A258 I259 L260 F364 I368 P374 L377L233-I256 HydrophobicContact CD2-CG2 4.14Å; M250-I256 HydrophobicContact SD-CG1 4.11Å; I256-A258 VanDerWaalsContact C-N 3.32Å; I256-A258 PolarHBondContact O-N 3.46Å; I256-I259 PolarHBondContact O-N 2.88Å; I256-I259 VanDerWaalsContact O-N 3.09Å; I256-L260 HydrophobicContact CG2-CD1 3.84Å; I256-L260 HydrophobicContact CG2-CG 3.97Å; I256-L260 WeakPolarHBondContact O-CG 3.34Å; I256-L260 PolarHBondContact O-N 2.63Å; I256-F364 HydrophobicContact CD1-CE1 4.13Å; I256-F364 HydrophobicContact CD1-CZ 3.6Å; I256-F364 HydrophobicContact CG1-CE1 4.25Å; I256-F364 HydrophobicContact CG1-CZ 4.04Å; I256-I368 HydrophobicContact CG2-CD1 4.11Å; I256-P374 HydrophobicContact CD1-CB 3.92Å; I256-P374 HydrophobicContact CD1-CG 4.18Å; I256-P374 HydrophobicContact CG2-CB 4.31Å; I256-P374 HydrophobicContact CG2-CG 4.42Å; I256-L377 HydrophobicContact CD1-CB 4.14Å; I256-L377 HydrophobicContact CD1-CD2 4.02Å
257S88.6Confident90.9Very high52 Ų5254.4 Ų54.436%0.36431%0.314SS..Hα-helixtrans-58.7-42.7-179.3-52.30000112E12 G255 I259 L260 S261E12-S257 VanDerWaalsContact OE1-CB 3.31Å; E12-S257 WeakPolarHBondContact OE1-CB 3.22Å; E12-S257 PolarHBondContact OE1-N 3.05Å; E12-S257 PolarHBondContact OE1-OG 3.47Å; G255-S257 VanDerWaalsContact C-N 3.26Å; G255-S257 PolarHBondContact O-N 3.1Å; S257-I259 VanDerWaalsContact C-N 3.33Å; S257-I259 PolarHBondContact O-N 3Å; S257-L260 PolarHBondContact O-N 2.92Å; S257-S261 WeakPolarHBondContact O-CB 3.14Å; S257-S261 PolarHBondContact O-N 3.38Å
258A90.5Very high90.9Very high26 Ų2656.6 Ų56.622%0.21533%0.326CS..Hα-helixtrans-63-39.9176.500000112D253 G254 G255 I256 S261 R262D253-A258 WeakPolarHBondContact O-CB 3.5Å; G254-A258 PolarHBondContact O-N 3.16Å; G255-A258 PolarHBondContact O-N 2.86Å; I256-A258 VanDerWaalsContact C-N 3.32Å; I256-A258 PolarHBondContact O-N 3.46Å; A258-S261 PolarHBondContact O-N 2.93Å; A258-S261 PolarHBondContact O-OG 3.33Å; A258-R262 WeakPolarHBondContact O-CG 3.32Å
259I92.9Very high91.1Very high3 Ų352 Ų522%0.01530%0.301CS..Hα-helixtrans-67.2-45.5178.1-59.8176.5000110.6L213 L216 I235 M250 I256 S257 S261 R262 F264L213-I259 HydrophobicContact CD1-CD1 4.47Å; L213-I259 HydrophobicContact CD1-CG2 4.06Å; L216-I259 HydrophobicContact CD1-CD1 3.58Å; L216-I259 HydrophobicContact CD1-CG1 4.03Å; I235-I259 HydrophobicContact CD1-CD1 3.51Å; I235-I259 HydrophobicContact CD1-CG2 4.5Å; M250-I259 HydrophobicContact CG-CD1 4.14Å; M250-I259 HydrophobicContact SD-CD1 4.21Å; I256-I259 PolarHBondContact O-N 2.88Å; I256-I259 VanDerWaalsContact O-N 3.09Å; S257-I259 VanDerWaalsContact C-N 3.33Å; S257-I259 PolarHBondContact O-N 3Å; I259-S261 PolarHBondContact O-N 2.74Å; I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.95Å; I259-R262 VanDerWaalsContact O-N 3.16Å; I259-F264 HydrophobicContact CG2-CZ 4.32Å; I259-F264 WeakPolarHBondContact O-CE2 3.29Å
260L91.5Very high91.2Very high19 Ų1949.9 Ų49.910%0.09929%0.29CS..Hα-helixtrans-63.1-29.4178.3-68.1177.3000113.2L233 I256 S257 R262 I368L233-L260 HydrophobicContact CD2-CD2 4.13Å; I256-L260 HydrophobicContact CG2-CD1 3.84Å; I256-L260 HydrophobicContact CG2-CG 3.97Å; I256-L260 WeakPolarHBondContact O-CG 3.34Å; I256-L260 PolarHBondContact O-N 2.63Å; S257-L260 PolarHBondContact O-N 2.92Å; L260-R262 PolarHBondContact O-N 2.87Å; L260-I368 HydrophobicContact CD1-CD1 4.01Å; L260-I368 HydrophobicContact CD1-CG1 4.46Å; L260-I368 HydrophobicContact CD1-CG2 3.94Å; L260-I368 HydrophobicContact CD2-CD1 4.25Å; L260-I368 HydrophobicContact CD2-CG1 4.01Å; L260-I368 HydrophobicContact CD2-CG2 4.17Å
261S91.5Very high91.5Very high98 Ų9849.7 Ų49.769%0.68529%0.289SS*.THydrogen-bonded Turntrans-71.8-14.2177.977.30000114.3S257 A258 I259S257-S261 WeakPolarHBondContact O-CB 3.14Å; S257-S261 PolarHBondContact O-N 3.38Å; A258-S261 PolarHBondContact O-N 2.93Å; A258-S261 PolarHBondContact O-OG 3.33Å; I259-S261 PolarHBondContact O-N 2.74Å
262R92.7Very high91.9Very high99 Ų9950.5 Ų50.537%0.37429%0.29SS..SBendtrans-75.2154.3178.3-54.7-169.9101.1102.40.3111V211 L213 A258 I259 L260 F264V211-R262 HydrophobicContact CG2-CB 4.36Å; L213-R262 VanDerWaalsContact CD2-CD 3.5Å; A258-R262 WeakPolarHBondContact O-CG 3.32Å; I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.95Å; I259-R262 VanDerWaalsContact O-N 3.16Å; L260-R262 PolarHBondContact O-N 2.87Å; R262-F264 WeakPolarHBondContact O-CD2 3.47Å; R262-F264 PolarHBondContact O-N 3.17Å
263S93.4Very high92.4Very high107 Ų10744.4 Ų44.475%0.74826%0.258SS*.PPolyproline II helixtrans-74.3117.6170.4-57.10000109.5
264F95.8Very high92.9Very high29 Ų2941 Ų4113%0.12724%0.24CC..PPolyproline II helixtrans-87.9137.9168.3-73-114.4000108N209 M210 V211 A220 K222 L233 I259 R262N209-F264 HydrophobicContact CB-CB 3.85Å; N209-F264 HydrophobicContact CB-CD1 4.4Å; N209-F264 HydrophobicContact CB-CG 4.49Å; N209-F264 WeakPolarHBondContact O-CD1 3.41Å; M210-F264 CarbonylContact O-C 3.56Å; M210-F264 WeakPolarHBondContact O-CA 3.33Å; V211-F264 HydrophobicContact CB-CD1 3.94Å; V211-F264 HydrophobicContact CB-CD2 4.42Å; V211-F264 HydrophobicContact CB-CE1 4.08Å; V211-F264 HydrophobicContact CB-CG 4.13Å; V211-F264 HydrophobicContact CB-CZ 4.35Å; V211-F264 HydrophobicContact CG1-CD1 3.78Å; V211-F264 HydrophobicContact CG1-CD2 4.34Å; V211-F264 HydrophobicContact CG1-CE1 3.38Å; V211-F264 HydrophobicContact CG1-CE2 3.96Å; V211-F264 HydrophobicContact CG1-CG 4.26Å; V211-F264 HydrophobicContact CG1-CZ 3.47Å; V211-F264 VanDerWaalsContact CG1-CZ 3.47Å; A220-F264 HydrophobicContact CB-CE1 4.26Å; K222-F264 HydrophobicContact CD-CD1 4.22Å; K222-F264 HydrophobicContact CD-CD2 4.39Å; K222-F264 HydrophobicContact CD-CE1 4.22Å; K222-F264 HydrophobicContact CD-CE2 4.43Å; K222-F264 HydrophobicContact CD-CG 4.31Å; K222-F264 HydrophobicContact CD-CZ 4.33Å; K222-F264 HydrophobicContact CG-CD1 4.07Å; K222-F264 HydrophobicContact CG-CE1 3.82Å; K222-F264 HydrophobicContact CG-CZ 4.22Å; L233-F264 HydrophobicContact CD1-CE1 4.24Å; L233-F264 HydrophobicContact CD1-CZ 4.08Å; I259-F264 HydrophobicContact CG2-CZ 4.32Å; I259-F264 WeakPolarHBondContact O-CE2 3.29Å; R262-F264 WeakPolarHBondContact O-CD2 3.47Å; R262-F264 PolarHBondContact O-N 3.17Å
265E95.2Very high93.2Very high142 Ų14241.1 Ų41.166%0.66423%0.229SC*.EExtended strand (participates in β ladder)trans-99.1132.5-180-65.7-179.1-178.500109.3M210 T267M210-E265 PolarHBondContact N-O 2.77Å; M210-E265 PolarHBondContact O-N 3.14Å; E265-T267 PolarHBondContact O-N 3.5Å; E265-T267 VanDerWaalsContact O-N 3.12Å; E265-T267 PolarHBondContact O-OG1 2.99Å
266N94.9Very high93.2Very high103 Ų10340.8 Ų40.855%0.55123%0.225SC*.EExtended strand (participates in β ladder)trans-71.6107.3175.5-169.645.2000109.1Y207Y207-N266 WeakPolarHBondContact CB-OD1 3.48Å
267T94.5Very high92.9Very high33 Ų3343.4 Ų43.420%0.20224%0.236CC..EExtended strand (participates in β ladder)trans-124.5135.9-168.3-50.50000109.5Y207 F208 E265 L269 V355Y207-T267 WeakPolarHBondContact CA-O 3.39Å; F208-T267 PolarHBondContact N-O 2.7Å; F208-T267 PolarHBondContact O-N 3.46Å; E265-T267 PolarHBondContact O-N 3.5Å; E265-T267 VanDerWaalsContact O-N 3.12Å; E265-T267 PolarHBondContact O-OG1 2.99Å; T267-L269 HydrophobicContact CG2-CD2 3.61Å; T267-L269 HydrophobicContact CG2-CG 4.49Å; T267-L269 PolarHBondContact O-N 3.46Å; T267-V355 HydrophobicContact CG2-CB 4.48Å; T267-V355 HydrophobicContact CG2-CG2 4.34Å
268L95.2Very high92.4Very high50 Ų5041 Ų4126%0.26222%0.22SC..EExtended strand (participates in β ladder)trans-70.9114.9170.9-177.364.8000109.1V205 Y207V205-L268 HydrophobicContact CG1-CD1 4.15Å; Y207-L268 HydrophobicContact CD1-CB 4.15Å; Y207-L268 HydrophobicContact CD2-CD1 4.21Å; Y207-L268 HydrophobicContact CE1-CB 3.79Å; Y207-L268 HydrophobicContact CE2-CD1 4.05Å
269L94.6Very high91.3Very high1 Ų144.4 Ų44.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-120.3142.5-177-53.7-178.2000112.4V205 S206 F208 M210 I221 T267 L271 V355 F357V205-L269 WeakPolarHBondContact CA-O 3.39Å; S206-L269 PolarHBondContact N-O 3.21Å; S206-L269 PolarHBondContact O-N 3.12Å; F208-L269 HydrophobicContact CB-CD1 3.92Å; F208-L269 HydrophobicContact CB-CG 4.47Å; F208-L269 HydrophobicContact CD2-CB 4.17Å; F208-L269 HydrophobicContact CD2-CD1 4.35Å; F208-L269 HydrophobicContact CD2-CG 4.49Å; M210-L269 HydrophobicContact CB-CD1 4.23Å; M210-L269 HydrophobicContact SD-CD1 4.08Å; M210-L269 HydrophobicContact SD-CD2 3.59Å; M210-L269 VanDerWaalsContact SD-CD2 3.59Å; M210-L269 HydrophobicContact SD-CG 4.5Å; I221-L269 HydrophobicContact CG2-CD1 3.73Å; T267-L269 HydrophobicContact CG2-CD2 3.61Å; T267-L269 HydrophobicContact CG2-CG 4.49Å; T267-L269 PolarHBondContact O-N 3.46Å; L269-L271 PolarHBondContact O-N 3.34Å; L269-V355 VanDerWaalsContact CA-O 3.28Å; L269-V355 WeakPolarHBondContact CA-O 3.48Å; L269-V355 HydrophobicContact CD2-CB 3.72Å; L269-V355 HydrophobicContact CD2-CG1 3.75Å; L269-F357 HydrophobicContact CD1-CB 4.14Å
270N95.5Very high89.7Confident13 Ų1345.3 Ų45.37%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-83.695.5156.3-69.8-34.8000107.9Y203 V205 Y272 E354 V355 F357Y203-N270 HydrophobicContact CE2-CB 4.18Å; Y203-N270 PolarHBondContact OH-OD1 3.33Å; V205-N270 WeakPolarHBondContact CG2-OD1 3.37Å; N270-Y272 HydrophobicContact CB-CE2 4.14Å; N270-E354 VanDerWaalsContact ND2-CB 3.31Å; N270-E354 WeakPolarHBondContact ND2-CB 3.23Å; N270-E354 PolarHBondContact ND2-OE2 2.71Å; N270-V355 PolarHBondContact N-O 3.37Å; N270-F357 PolarHBondContact O-N 2.86Å
271L96.4Very high88.1Confident0 Ų047.2 Ų47.20%026%0.258CS..EExtended strand (participates in β ladder)trans-92.1124.7-176.1175.562.1000110.7F179 Y203 N204 F208 I221 L223 L269 F357F179-L271 HydrophobicContact CE1-CD2 3.83Å; F179-L271 HydrophobicContact CE1-CG 4.15Å; F179-L271 HydrophobicContact CZ-CD2 3.72Å; F179-L271 HydrophobicContact CZ-CG 4.44Å; Y203-L271 WeakPolarHBondContact CA-O 3.47Å; Y203-L271 WeakPolarHBondContact CD2-O 3.42Å; N204-L271 PolarHBondContact N-O 3.41Å; N204-L271 VanDerWaalsContact N-O 3.08Å; N204-L271 PolarHBondContact O-N 3.24Å; F208-L271 HydrophobicContact CD2-CB 4.43Å; F208-L271 HydrophobicContact CD2-CD2 4.31Å; F208-L271 HydrophobicContact CE1-CD2 4.29Å; F208-L271 HydrophobicContact CE2-CB 3.98Å; F208-L271 HydrophobicContact CE2-CD2 3.83Å; F208-L271 HydrophobicContact CZ-CD2 3.81Å; I221-L271 HydrophobicContact CD1-CD1 3.44Å; I221-L271 VanDerWaalsContact CD1-CD1 3.44Å; I221-L271 HydrophobicContact CD1-CD2 4.41Å; L223-L271 HydrophobicContact CD1-CD2 4.28Å; L223-L271 HydrophobicContact CD2-CD2 3.39Å; L223-L271 HydrophobicContact CG-CD2 4.46Å; L269-L271 PolarHBondContact O-N 3.34Å; L271-F357 HydrophobicContact CD1-CB 4.33Å; L271-F357 HydrophobicContact CD1-CD1 3.91Å; L271-F357 HydrophobicContact CD1-CG 4.49Å
272Y96.6Very high87Confident34 Ų3451 Ų5113%0.13326%0.258CS..EExtended strand (participates in β ladder)trans-117.5117.9167.2-53.3-104.3000108.9H185 M202 Y203 N270 E356 F357 R358 V359H185-Y272 AromaticContact CE1-CD1 3.93Å; H185-Y272 AromaticContact CE1-CE1 3.84Å; M202-Y272 WeakPolarHBondContact O-CA 3.5Å; Y203-Y272 AromaticContact CD2-CD1 3.57Å; Y203-Y272 HydrophobicContact CD2-CD1 3.57Å; Y203-Y272 HydrophobicContact CD2-CD2 4.13Å; Y203-Y272 AromaticContact CD2-CE1 3.27Å; Y203-Y272 HydrophobicContact CD2-CE1 3.27Å; Y203-Y272 AromaticContact CD2-CE2 3.86Å; Y203-Y272 HydrophobicContact CD2-CE2 3.86Å; Y203-Y272 AromaticContact CD2-CG 3.99Å; Y203-Y272 HydrophobicContact CD2-CG 3.99Å; Y203-Y272 AromaticContact CD2-CZ 3.42Å; Y203-Y272 VanDerWaalsContact CD2-CZ 3.42Å; Y203-Y272 HydrophobicContact CE2-CD1 4.33Å; Y203-Y272 HydrophobicContact CE2-CD2 4.35Å; Y203-Y272 AromaticContact CE2-CE1 3.68Å; Y203-Y272 HydrophobicContact CE2-CE1 3.68Å; Y203-Y272 AromaticContact CE2-CE2 3.7Å; Y203-Y272 HydrophobicContact CE2-CE2 3.7Å; Y203-Y272 AromaticContact CE2-CZ 3.31Å; Y203-Y272 WeakPolarHBondContact CE2-OH 3.22Å; Y203-Y272 HydrophobicContact CG-CD1 4.25Å; Y203-Y272 AromaticContact CG-CE1 3.98Å; Y203-Y272 HydrophobicContact CG-CE1 3.98Å; N270-Y272 HydrophobicContact CB-CE2 4.14Å; Y272-E356 HydrophobicContact CD2-CG 4.2Å; Y272-E356 HydrophobicContact CE2-CG 3.92Å; Y272-F357 PolarHBondContact N-O 3Å; Y272-R358 HydrophobicContact CD2-CB 4.08Å; Y272-R358 HydrophobicContact CD2-CG 4.22Å; Y272-R358 HydrophobicContact CG-CB 4.48Å; Y272-R358 HydrophobicContact CG-CG 4.19Å; Y272-V359 WeakPolarHBondContact O-CB 3.4Å; Y272-V359 PolarHBondContact O-N 2.87Å
273L95.8Very high86.4Confident0 Ų047 Ų470%025%0.246CC..EExtended strand (participates in β ladder)trans-125.7128.4-178.1-174.172.6000109.2W175 F179 M202 L223 L232 V234 I328 V359W175-L273 HydrophobicContact CZ2-CD2 4.31Å; F179-L273 HydrophobicContact CE1-CB 4.44Å; F179-L273 HydrophobicContact CZ-CB 4.32Å; F179-L273 HydrophobicContact CZ-CD2 4.2Å; M202-L273 WeakPolarHBondContact CB-O 3.39Å; M202-L273 HydrophobicContact CE-CB 4.11Å; M202-L273 HydrophobicContact CE-CD2 3.74Å; M202-L273 HydrophobicContact CE-CG 4.01Å; M202-L273 PolarHBondContact N-O 3.01Å; M202-L273 PolarHBondContact O-N 2.77Å; L223-L273 HydrophobicContact CD1-CD2 3.81Å; L232-L273 HydrophobicContact CD2-CD2 4.33Å; V234-L273 HydrophobicContact CG2-CD1 4.12Å; L273-I328 HydrophobicContact CD2-CG2 4.26Å; L273-V359 HydrophobicContact CD1-CB 4.35Å; L273-V359 HydrophobicContact CD1-CG1 4.48Å; L273-V359 HydrophobicContact CD1-CG2 4.04Å
274P94Very high86.1Confident0 Ų043.1 Ų43.10%022%0.216CC..EExtended strand (participates in β ladder)trans-65.2142.2176.425.4-32.1000110.4V199 E200 L201 F276 V359 F363 P383V199-P274 HydrophobicContact CG2-CB 4.41Å; E200-P274 WeakPolarHBondContact O-CA 3.25Å; L201-P274 HydrophobicContact CD2-CB 3.97Å; P274-F276 HydrophobicContact CB-CD1 4.27Å; P274-F276 HydrophobicContact CG-CD1 4.02Å; P274-F276 HydrophobicContact CG-CE1 4.27Å; P274-F276 WeakPolarHBondContact O-CD1 3.4Å; P274-F276 WeakPolarHBondContact O-CE1 3.32Å; P274-V359 WeakPolarHBondContact CD-O 3.3Å; P274-V359 HydrophobicContact CG-CG1 4.12Å; P274-F363 HydrophobicContact CG-CE1 3.83Å; P274-F363 HydrophobicContact CG-CZ 3.97Å; P274-P383 HydrophobicContact CB-CB 4.12Å; P274-P383 HydrophobicContact CB-CG 4.19Å
275K89.6Confident85.9Confident43 Ų4343.6 Ų43.619%0.18722%0.223CC..  trans-76130162.7-177.5173.1-173163.60109.2E200 M202 I328 E330E200-K275 PolarHBondContact O-N 2.86Å; M202-K275 HydrophobicContact CG-CB 4.15Å; M202-K275 HydrophobicContact SD-CB 4.27Å; K275-I328 WeakPolarHBondContact CG-O 3.17Å; K275-E330 VanDerWaalsContact CE-OE2 3.28Å; K275-E330 WeakPolarHBondContact CE-OE2 3.36Å; K275-E330 IonicContact NZ-OE1 3.8Å; K275-E330 PolarHBondContact NZ-OE1 3.38Å; K275-E330 IonicContact NZ-OE2 2.75Å; K275-E330 PolarHBondContact NZ-OE2 3.28Å
276F87.9Confident85.8Confident0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-159.8153.9179.862-92.9000113.1P274 L278 L326 I328 F363 V380 P383P274-F276 HydrophobicContact CB-CD1 4.27Å; P274-F276 HydrophobicContact CG-CD1 4.02Å; P274-F276 HydrophobicContact CG-CE1 4.27Å; P274-F276 WeakPolarHBondContact O-CD1 3.4Å; P274-F276 WeakPolarHBondContact O-CE1 3.32Å; F276-L278 HydrophobicContact CD2-CD1 4.3Å; F276-L278 HydrophobicContact CD2-CD2 4.26Å; F276-L278 HydrophobicContact CD2-CG 3.68Å; F276-L278 HydrophobicContact CE2-CD1 3.77Å; F276-L278 HydrophobicContact CE2-CG 3.68Å; F276-L326 HydrophobicContact CE2-CD2 4.21Å; F276-I328 HydrophobicContact CD1-CB 4.47Å; F276-I328 HydrophobicContact CD2-CG1 4.47Å; F276-I328 HydrophobicContact CE1-CB 4.25Å; F276-I328 HydrophobicContact CE1-CG1 4.21Å; F276-I328 HydrophobicContact CE1-CG2 4.26Å; F276-I328 HydrophobicContact CE2-CB 4.37Å; F276-I328 HydrophobicContact CE2-CG1 3.86Å; F276-I328 HydrophobicContact CZ-CB 4.22Å; F276-I328 HydrophobicContact CZ-CG1 3.72Å; F276-I328 PolarHBondContact N-O 3.45Å; F276-I328 PolarHBondContact O-N 3.4Å; F276-F363 HydrophobicContact CD1-CZ 4.25Å; F276-F363 HydrophobicContact CE1-CE2 4.16Å; F276-F363 AromaticContact CE1-CZ 3.58Å; F276-F363 HydrophobicContact CE1-CZ 3.58Å; F276-F363 HydrophobicContact CZ-CE2 4.16Å; F276-F363 AromaticContact CZ-CZ 3.94Å; F276-F363 HydrophobicContact CZ-CZ 3.94Å; F276-V380 HydrophobicContact CE2-CG2 4.08Å; F276-V380 HydrophobicContact CZ-CG2 4.19Å; F276-P383 HydrophobicContact CB-CB 3.69Å; F276-P383 HydrophobicContact CD1-CB 4.36Å; F276-P383 HydrophobicContact CG-CB 4.26Å
277K83.3Confident85.8Confident59 Ų5934.7 Ų34.726%0.25718%0.177SC..EExtended strand (participates in β ladder)trans-113.6112.4166.6-55.6-160.9-172.3-151.60109.1K279 L326 D327 V384K277-K279 HydrophobicContact CB-CG 4.46Å; K277-K279 PolarHBondContact O-N 3.42Å; K277-L326 CarbonylContact C-O 3.44Å; K277-L326 WeakPolarHBondContact CA-O 2.76Å; K277-D327 WeakPolarHBondContact CD-OD1 3.19Å; K277-D327 WeakPolarHBondContact CE-OD1 3.39Å; K277-D327 VanDerWaalsContact CE-OD2 3.29Å; K277-D327 WeakPolarHBondContact CE-OD2 3.5Å; K277-D327 WeakPolarHBondContact CG-OD1 3.49Å; K277-D327 IonicContact NZ-OD1 3.9Å; K277-D327 PolarHBondContact NZ-OD1 3.15Å; K277-D327 IonicContact NZ-OD2 2.86Å; K277-D327 PolarHBondContact NZ-OD2 3.03Å; K277-V384 PolarHBondContact N-O 2.86Å
278L78.5Confident85.7Confident3 Ų335.8 Ų35.82%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-80.181.9168.7-69.4176.3000108.7N28 F30 F276 I325 L326 V365 V380N28-L278 HydrophobicContact CB-CD2 4.09Å; F30-L278 HydrophobicContact CB-CB 3.82Å; F30-L278 HydrophobicContact CB-CD1 3.81Å; F30-L278 HydrophobicContact CB-CG 4.39Å; F30-L278 HydrophobicContact CD1-CB 4.5Å; F30-L278 HydrophobicContact CD2-CD1 3.73Å; F30-L278 HydrophobicContact CG-CB 4.11Å; F30-L278 HydrophobicContact CG-CD1 3.91Å; F276-L278 HydrophobicContact CD2-CD1 4.3Å; F276-L278 HydrophobicContact CD2-CD2 4.26Å; F276-L278 HydrophobicContact CD2-CG 3.68Å; F276-L278 HydrophobicContact CE2-CD1 3.77Å; F276-L278 HydrophobicContact CE2-CG 3.68Å; L278-I325 WeakPolarHBondContact O-CA 3.15Å; L278-L326 HydrophobicContact CB-CB 4.39Å; L278-L326 HydrophobicContact CD1-CD2 4.46Å; L278-L326 PolarHBondContact N-O 3.4Å; L278-L326 PolarHBondContact O-N 3.44Å; L278-V365 HydrophobicContact CD1-CG1 3.99Å; L278-V380 HydrophobicContact CD1-CG2 3.67Å; L278-V380 HydrophobicContact CD2-CG2 3.87Å; L278-V380 HydrophobicContact CG-CG2 4.17Å
279K68.5Low85.7Confident96 Ų9634.3 Ų34.342%0.41718%0.176SC..EExtended strand (participates in β ladder)trans-82.5108.7157.9-58.8176.1-167.4166.80104.9K277 G281 I325 D386K277-K279 HydrophobicContact CB-CG 4.46Å; K277-K279 PolarHBondContact O-N 3.42Å; K279-G281 PolarHBondContact O-N 3.16Å; K279-I325 HydrophobicContact CG-CD1 4.36Å; K279-I325 HydrophobicContact CG-CG2 4.5Å; K279-D386 VanDerWaalsContact CE-O 3.25Å; K279-D386 WeakPolarHBondContact CE-O 3.46Å; K279-D386 VanDerWaalsContact NZ-C 3.28Å; K279-D386 PolarHBondContact NZ-O 2.73Å; K279-D386 PolarHBondContact NZ-OXT 3.25Å
280Q57.5Low85.7Confident22 Ų2234.3 Ų34.310%0.10318%0.176CC..  trans-52.8116.2168.5-163.9-175.215.100107.1Y282 K323Q280-Y282 VanDerWaalsContact CG-O 3.23Å; Q280-Y282 WeakPolarHBondContact CG-O 3.45Å; Q280-Y282 PolarHBondContact O-N 2.91Å; Q280-Y282 PolarHBondContact OE1-O 3.08Å; Q280-K323 WeakPolarHBondContact O-CE 3.39Å
281G59.3Low85.8Confident60 Ų6037.1 Ų37.162%0.61919%0.187SC*.SBendtrans-57-26.8-171.500000112.3K279K279-G281 PolarHBondContact O-N 3.16Å
282Y67.7Low85.7Confident176 Ų17642.3 Ų42.369%0.6921%0.211SC*.SBendtrans-131.9137.8174.9-60.9-77.7000111.2Q280Q280-Y282 VanDerWaalsContact CG-O 3.23Å; Q280-Y282 WeakPolarHBondContact CG-O 3.45Å; Q280-Y282 PolarHBondContact O-N 2.91Å; Q280-Y282 PolarHBondContact OE1-O 3.08Å
283P79.6Confident85.6Confident17 Ų1740.9 Ų40.911%0.1121%0.206CC..PPolyproline II helixtrans-55.3139.7167.6-22.333.2000111.9E150 L151 K323E150-P283 WeakPolarHBondContact O-CG 3.5Å; L151-P283 HydrophobicContact CD1-CB 4.32Å; L151-P283 WeakPolarHBondContact O-CB 3.44Å; L151-P283 WeakPolarHBondContact O-CG 3.22Å; P283-K323 HydrophobicContact CB-CD 4.43Å; P283-K323 HydrophobicContact CG-CD 4.14Å
284L86.7Confident85.6Confident24 Ų2442.3 Ų42.313%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-88116.4-179.1-170.363000110.9I18 L286 F321 H322I18-L284 HydrophobicContact CD1-CD2 3.77Å; L284-L286 HydrophobicContact CB-CD2 4.48Å; L284-L286 HydrophobicContact CD2-CD2 3.37Å; L284-L286 HydrophobicContact CG-CD2 3.68Å; L284-L286 HydrophobicContact CG-CG 4.45Å; L284-F321 WeakPolarHBondContact O-CA 3.27Å; L284-H322 WeakPolarHBondContact CB-O 3.38Å; L284-H322 PolarHBondContact N-O 3.21Å; L284-H322 PolarHBondContact O-N 2.89Å
285S92.1Very high85.7Confident39 Ų3942.4 Ų42.427%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-74.7118.5161161.60000109.1H289 D319S285-H289 PolarHBondContact O-ND1 2.76Å; S285-H289 VanDerWaalsContact O-ND1 3.09Å; S285-D319 WeakPolarHBondContact CB-OD2 3.49Å; S285-D319 VanDerWaalsContact OG-CG 3.23Å; S285-D319 PolarHBondContact OG-OD1 3.42Å; S285-D319 PolarHBondContact OG-OD2 2.88Å
286L93.6Very high86Confident0 Ų043.8 Ų43.80%023%0.231CC..  trans-93.8-14.6-175.6-64.5-179.2000113.4F14 I36 L284 T288 H289 L290 D319 V320 H322F14-L286 HydrophobicContact CE2-CD2 4.06Å; F14-L286 HydrophobicContact CZ-CD2 3.5Å; I36-L286 HydrophobicContact CB-CD1 4.44Å; I36-L286 HydrophobicContact CD1-CD1 3.99Å; I36-L286 HydrophobicContact CD1-CD2 4.2Å; I36-L286 HydrophobicContact CG1-CD1 3.88Å; I36-L286 HydrophobicContact CG2-CD1 3.8Å; L284-L286 HydrophobicContact CB-CD2 4.48Å; L284-L286 HydrophobicContact CD2-CD2 3.37Å; L284-L286 HydrophobicContact CG-CD2 3.68Å; L284-L286 HydrophobicContact CG-CG 4.45Å; L286-T288 VanDerWaalsContact C-N 3.25Å; L286-T288 PolarHBondContact O-N 3.43Å; L286-T288 VanDerWaalsContact O-N 3.12Å; L286-H289 PolarHBondContact O-N 2.95Å; L286-L290 HydrophobicContact CB-CD1 3.71Å; L286-L290 HydrophobicContact CB-CG 4Å; L286-L290 WeakPolarHBondContact O-CB 3.23Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.41Å; L286-D319 PolarHBondContact N-OD1 3.34Å; L286-V320 HydrophobicContact CB-CB 4.09Å; L286-V320 VanDerWaalsContact CB-O 3.25Å; L286-V320 WeakPolarHBondContact CB-O 3.38Å; L286-V320 HydrophobicContact CD1-CB 4.25Å; L286-V320 HydrophobicContact CD1-CG1 3.92Å; L286-V320 WeakPolarHBondContact CG-O 3.18Å; L286-V320 PolarHBondContact N-O 2.96Å; L286-H322 HydrophobicContact CD1-CB 3.73Å; L286-H322 HydrophobicContact CG-CB 4.15Å
287K94.5Very high86.4Confident59 Ų5945 Ų4526%0.25724%0.237SC..Hα-helixtrans-44.6-51.2-177.9175-177.5-160.2154.70112.7L290 K291 F299 T318 D319K287-L290 PolarHBondContact O-N 3.1Å; K287-K291 WeakPolarHBondContact O-CG 3.31Å; K287-K291 PolarHBondContact O-N 3.23Å; K287-F299 HydrophobicContact CB-CD1 4.15Å; K287-F299 HydrophobicContact CB-CE1 4.13Å; K287-F299 HydrophobicContact CD-CD1 4.47Å; K287-F299 HydrophobicContact CG-CB 4.31Å; K287-F299 HydrophobicContact CG-CD1 3.76Å; K287-F299 HydrophobicContact CG-CE1 4.23Å; K287-F299 HydrophobicContact CG-CG 3.98Å; K287-T318 WeakPolarHBondContact CD-O 3.5Å; K287-T318 WeakPolarHBondContact CE-O 3.49Å; K287-T318 PolarHBondContact NZ-O 3.05Å; K287-D319 HydrophobicContact CB-CB 4.48Å; K287-D319 WeakPolarHBondContact CB-OD1 3.35Å; K287-D319 PolarHBondContact N-OD1 3.26Å
288T93.7Very high86.9Confident56 Ų5642.2 Ų42.234%0.34423%0.226SC..Hα-helixtrans-71.2-40.6-175.2-32.60000111.7L286 L290 K291 E292L286-T288 VanDerWaalsContact C-N 3.25Å; L286-T288 PolarHBondContact O-N 3.43Å; L286-T288 VanDerWaalsContact O-N 3.12Å; T288-L290 PolarHBondContact O-N 2.8Å; T288-K291 PolarHBondContact O-N 3.26Å; T288-E292 WeakPolarHBondContact O-CG 3.29Å; T288-E292 PolarHBondContact O-N 2.92Å
289H93.7Very high87.7Confident19 Ų1942.4 Ų42.49%0.08823%0.226CC..Hα-helixtrans-61.8-41.9175.1-57.995000112.2F14 I18 R21 S285 L286 E292 L293F14-H289 HydrophobicContact CE2-CB 4.1Å; I18-H289 VanDerWaalsContact CD1-CD2 3.46Å; I18-H289 WeakPolarHBondContact CD1-CD2 3.37Å; R21-H289 VanDerWaalsContact CD-CD2 3.41Å; R21-H289 WeakPolarHBondContact CD-CD2 3.39Å; R21-H289 WeakPolarHBondContact CD-NE2 3.44Å; S285-H289 PolarHBondContact O-ND1 2.76Å; S285-H289 VanDerWaalsContact O-ND1 3.09Å; L286-H289 PolarHBondContact O-N 2.95Å; H289-E292 PolarHBondContact O-N 2.94Å; H289-L293 PolarHBondContact O-N 2.86Å
290L96.1Very high88.8Confident0 Ų040.8 Ų40.80%022%0.222CC..Hα-helixtrans-71.6-32.5-179.1-66.6173.8000112.3F14 L40 L286 K287 T288 L293 G294 I295 F299 V320F14-L290 HydrophobicContact CE2-CD2 4.3Å; L40-L290 HydrophobicContact CD1-CD2 4.08Å; L40-L290 HydrophobicContact CD2-CD1 3.94Å; L40-L290 HydrophobicContact CD2-CD2 3.99Å; L286-L290 HydrophobicContact CB-CD1 3.71Å; L286-L290 HydrophobicContact CB-CG 4Å; L286-L290 WeakPolarHBondContact O-CB 3.23Å; L286-L290 VanDerWaalsContact O-CG 3.28Å; L286-L290 WeakPolarHBondContact O-CG 3.49Å; L286-L290 PolarHBondContact O-N 3.41Å; K287-L290 PolarHBondContact O-N 3.1Å; T288-L290 PolarHBondContact O-N 2.8Å; L290-L293 HydrophobicContact CD2-CD1 4.45Å; L290-L293 WeakPolarHBondContact O-CB 3.4Å; L290-L293 PolarHBondContact O-N 3.31Å; L290-G294 PolarHBondContact O-N 3.39Å; L290-I295 HydrophobicContact CB-CB 4.48Å; L290-I295 HydrophobicContact CB-CD1 4.15Å; L290-I295 HydrophobicContact CD2-CD1 4.04Å; L290-I295 WeakPolarHBondContact O-CB 3.46Å; L290-I295 PolarHBondContact O-N 2.91Å; L290-F299 HydrophobicContact CB-CE2 3.72Å; L290-F299 HydrophobicContact CB-CZ 3.92Å; L290-F299 HydrophobicContact CD1-CE2 4.32Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.45Å; L290-V320 HydrophobicContact CD1-CB 4.25Å; L290-V320 HydrophobicContact CD1-CG2 3.99Å
291K96.2Very high90.3Very high72 Ų7243.6 Ų43.631%0.31324%0.242SC..Hα-helixtrans-62.4-42.4171.2-78.2-177.1173.9-166.40112.7K287 T288 L293 G294 I295 F299K287-K291 WeakPolarHBondContact O-CG 3.31Å; K287-K291 PolarHBondContact O-N 3.23Å; T288-K291 PolarHBondContact O-N 3.26Å; K291-L293 PolarHBondContact O-N 2.8Å; K291-G294 WeakPolarHBondContact O-CA 3.26Å; K291-G294 PolarHBondContact O-N 2.96Å; K291-I295 WeakPolarHBondContact CA-O 3.42Å; K291-I295 WeakPolarHBondContact CG-O 3.34Å; K291-F299 HydrophobicContact CG-CD2 4.03Å
292E94.5Very high91.7Very high109 Ų10949 Ų4951%0.50925%0.251SS..Hα-helixtrans-64.2-27.6175.4-61.5-64.5168.100112.2E17 R21 T288 H289 G294E17-E292 VanDerWaalsContact CD-CB 3.5Å; E17-E292 HydrophobicContact CG-CB 4.03Å; E17-E292 VanDerWaalsContact OE1-CB 3.27Å; E17-E292 WeakPolarHBondContact OE1-CB 3.37Å; E17-E292 WeakPolarHBondContact OE1-CG 3.34Å; R21-E292 IonicContact NH2-OE1 2.75Å; R21-E292 PolarHBondContact NH2-OE1 3.08Å; R21-E292 VanDerWaalsContact NH2-OE1 3.17Å; T288-E292 WeakPolarHBondContact O-CG 3.29Å; T288-E292 PolarHBondContact O-N 2.92Å; H289-E292 PolarHBondContact O-N 2.94Å; E292-G294 PolarHBondContact O-N 2.83Å
293L94.9Very high92.8Very high5 Ų542.5 Ų42.53%0.02623%0.232CC..THydrogen-bonded Turntrans-76.1-4.7171.2-65.5-173.7000114.3F10 R13 F14 E17 A58 H289 L290 K291F10-L293 HydrophobicContact CE2-CD1 3.98Å; R13-L293 HydrophobicContact CG-CD2 3.81Å; R13-L293 PolarHBondContact NH2-O 2.78Å; F14-L293 HydrophobicContact CB-CD1 4.29Å; F14-L293 HydrophobicContact CD2-CD1 3.68Å; F14-L293 HydrophobicContact CG-CD1 4.48Å; E17-L293 HydrophobicContact CB-CD2 4.23Å; E17-L293 HydrophobicContact CG-CD2 4.42Å; A58-L293 HydrophobicContact CB-CB 4.39Å; H289-L293 PolarHBondContact O-N 2.86Å; L290-L293 HydrophobicContact CD2-CD1 4.45Å; L290-L293 WeakPolarHBondContact O-CB 3.4Å; L290-L293 PolarHBondContact O-N 3.31Å; K291-L293 PolarHBondContact O-N 2.8Å
294G96Very high93.5Very high30 Ų3042.4 Ų42.431%0.30923%0.233SC..THydrogen-bonded Turntrans103.31.6177.100000114.6E54 L290 K291 E292 N296E54-G294 VanDerWaalsContact CD-O 3.32Å; E54-G294 WeakPolarHBondContact CG-O 3.48Å; L290-G294 PolarHBondContact O-N 3.39Å; K291-G294 WeakPolarHBondContact O-CA 3.26Å; K291-G294 PolarHBondContact O-N 2.96Å; E292-G294 PolarHBondContact O-N 2.83Å; G294-N296 PolarHBondContact O-N 2.99Å; G294-N296 PolarHBondContact O-ND2 2.8Å
295I96.5Very high93.8Very high1 Ų143 Ų431%0.00524%0.236CC..  trans-86.786.8178.3-51.8164.4000108.2L40 L55 A58 L290 K291 A298 F299L40-I295 HydrophobicContact CD1-CD1 4.28Å; L40-I295 HydrophobicContact CD2-CD1 3.96Å; L55-I295 HydrophobicContact CD2-CD1 3.89Å; L55-I295 HydrophobicContact CD2-CG1 4.23Å; L55-I295 HydrophobicContact CD2-CG2 3.92Å; L55-I295 HydrophobicContact CG-CG2 4.31Å; A58-I295 HydrophobicContact CB-CD1 3.58Å; A58-I295 HydrophobicContact CB-CG1 3.41Å; A58-I295 VanDerWaalsContact CB-CG1 3.41Å; L290-I295 HydrophobicContact CB-CB 4.48Å; L290-I295 HydrophobicContact CB-CD1 4.15Å; L290-I295 HydrophobicContact CD2-CD1 4.04Å; L290-I295 WeakPolarHBondContact O-CB 3.46Å; L290-I295 PolarHBondContact O-N 2.91Å; K291-I295 WeakPolarHBondContact CA-O 3.42Å; K291-I295 WeakPolarHBondContact CG-O 3.34Å; I295-A298 HydrophobicContact CG2-CB 3.59Å; I295-F299 HydrophobicContact CB-CE2 4.27Å; I295-F299 HydrophobicContact CG2-CD2 4.35Å; I295-F299 HydrophobicContact CG2-CE2 3.86Å; I295-F299 WeakPolarHBondContact O-CD2 3.46Å; I295-F299 WeakPolarHBondContact O-CE2 3.24Å
296N96.2Very high93.8Very high72 Ų7241.5 Ų41.539%0.38522%0.224SC..  trans-101.5-45.4-175.1-71-69.3000112E54 G294 A298 F299 N300E54-N296 PolarHBondContact OE2-N 2.83Å; G294-N296 PolarHBondContact O-N 2.99Å; G294-N296 PolarHBondContact O-ND2 2.8Å; N296-A298 VanDerWaalsContact C-N 3.33Å; N296-A298 PolarHBondContact O-N 3.13Å; N296-F299 PolarHBondContact O-N 3.18Å; N296-N300 PolarHBondContact O-N 3.04Å
297D95.3Very high93.6Very high26 Ų2644 Ų4414%0.13924%0.242CC..G310 helixtrans-65.7-37.6-173.4-79.3-7.5000111.8N50 T51 E54 F299 N300 S303 A304N50-D297 WeakPolarHBondContact CB-OD2 3.37Å; N50-D297 PolarHBondContact ND2-OD2 3.09Å; T51-D297 WeakPolarHBondContact OG1-CB 3.33Å; E54-D297 WeakPolarHBondContact OE2-CB 3.26Å; E54-D297 PolarHBondContact OE2-N 3Å; D297-F299 PolarHBondContact O-N 3.18Å; D297-N300 PolarHBondContact O-N 3.46Å; D297-S303 VanDerWaalsContact CG-OG 3.29Å; D297-S303 WeakPolarHBondContact OD1-CB 3.25Å; D297-S303 PolarHBondContact OD1-OG 3.34Å; D297-A304 WeakPolarHBondContact O-CA 3.31Å; D297-A304 WeakPolarHBondContact O-CB 3.44Å; D297-A304 PolarHBondContact O-N 2.85Å
298A94.3Very high93.4Very high1 Ų144.3 Ų44.31%0.00825%0.246CC..G310 helixtrans-54.4-28.7178.600000113.2T51 I295 N296 F306 C316 V317T51-A298 HydrophobicContact CG2-CB 3.94Å; I295-A298 HydrophobicContact CG2-CB 3.59Å; N296-A298 VanDerWaalsContact C-N 3.33Å; N296-A298 PolarHBondContact O-N 3.13Å; A298-F306 HydrophobicContact CB-CE2 4.42Å; A298-F306 HydrophobicContact CB-CZ 3.84Å; A298-F306 WeakPolarHBondContact O-CE2 3.26Å; A298-C316 WeakPolarHBondContact O-CB 3.47Å; A298-V317 PolarHBondContact O-N 2.9Å
299F94.5Very high92.9Very high7 Ų742.1 Ų42.13%0.03123%0.232CC..G310 helixtrans-106.26.5-176.8-57.5-77.1000114K287 L290 K291 I295 N296 D297 V317 V320K287-F299 HydrophobicContact CB-CD1 4.15Å; K287-F299 HydrophobicContact CB-CE1 4.13Å; K287-F299 HydrophobicContact CD-CD1 4.47Å; K287-F299 HydrophobicContact CG-CB 4.31Å; K287-F299 HydrophobicContact CG-CD1 3.76Å; K287-F299 HydrophobicContact CG-CE1 4.23Å; K287-F299 HydrophobicContact CG-CG 3.98Å; L290-F299 HydrophobicContact CB-CE2 3.72Å; L290-F299 HydrophobicContact CB-CZ 3.92Å; L290-F299 HydrophobicContact CD1-CE2 4.32Å; L290-F299 HydrophobicContact CD1-CZ 3.68Å; L290-F299 HydrophobicContact CG-CZ 4.45Å; K291-F299 HydrophobicContact CG-CD2 4.03Å; I295-F299 HydrophobicContact CB-CE2 4.27Å; I295-F299 HydrophobicContact CG2-CD2 4.35Å; I295-F299 HydrophobicContact CG2-CE2 3.86Å; I295-F299 WeakPolarHBondContact O-CD2 3.46Å; I295-F299 WeakPolarHBondContact O-CE2 3.24Å; N296-F299 PolarHBondContact O-N 3.18Å; D297-F299 PolarHBondContact O-N 3.18Å; F299-V317 WeakPolarHBondContact CA-O 3.48Å; F299-V317 HydrophobicContact CD1-CB 4.29Å; F299-V317 HydrophobicContact CD1-CG1 4.21Å; F299-V317 WeakPolarHBondContact CD1-O 3.2Å; F299-V317 HydrophobicContact CE1-CB 4.27Å; F299-V317 HydrophobicContact CE1-CG1 3.82Å; F299-V320 HydrophobicContact CE1-CG2 4.14Å; F299-V320 HydrophobicContact CZ-CG2 4.22Å
300N92.3Very high92.3Very high61 Ų6141.7 Ų41.733%0.32623%0.23SC..  trans-113.1115.4-179.4-177.2-11.3000110.1N296 D297 Q302 S303 A304N296-N300 PolarHBondContact O-N 3.04Å; D297-N300 PolarHBondContact O-N 3.46Å; N300-Q302 PolarHBondContact O-N 3.23Å; N300-Q302 PolarHBondContact OD1-N 3.18Å; N300-S303 WeakPolarHBondContact CB-OG 3.48Å; N300-S303 PolarHBondContact ND2-OG 2.91Å; N300-S303 PolarHBondContact O-N 2.96Å; N300-A304 WeakPolarHBondContact O-CB 3.48Å; N300-A304 PolarHBondContact O-N 2.79Å
301P87.9Confident91.3Very high81 Ų8146.8 Ų46.853%0.52626%0.256SS..THydrogen-bonded Turntrans-54.5-25.2179.2-24.431000115.2
302Q89Confident89.8Confident173 Ų17347.6 Ų47.681%0.80827%0.271SS*.THydrogen-bonded Turntrans-85.9-32.4-176.3-63.4-175.1-6.500113.5N300N300-Q302 PolarHBondContact O-N 3.23Å; N300-Q302 PolarHBondContact OD1-N 3.18Å
303S92.3Very high88.5Confident41 Ų4145.2 Ų45.229%0.28726%0.262SS..THydrogen-bonded Turntrans-112.1-14.7-175.4590000114.4D297 N300 D305D297-S303 VanDerWaalsContact CG-OG 3.29Å; D297-S303 WeakPolarHBondContact OD1-CB 3.25Å; D297-S303 PolarHBondContact OD1-OG 3.34Å; N300-S303 WeakPolarHBondContact CB-OG 3.48Å; N300-S303 PolarHBondContact ND2-OG 2.91Å; N300-S303 PolarHBondContact O-N 2.96Å; S303-D305 PolarHBondContact O-N 2.9Å
304A92.9Very high87.4Confident15 Ų1553.8 Ų53.812%0.12430%0.299CS..  trans-56.1122.8175.900000112D297 N300 F306 L315 C316D297-A304 WeakPolarHBondContact O-CA 3.31Å; D297-A304 WeakPolarHBondContact O-CB 3.44Å; D297-A304 PolarHBondContact O-N 2.85Å; N300-A304 WeakPolarHBondContact O-CB 3.48Å; N300-A304 PolarHBondContact O-N 2.79Å; A304-F306 HydrophobicContact CB-CD2 4.01Å; A304-F306 HydrophobicContact CB-CE2 3.92Å; A304-L315 WeakPolarHBondContact CB-O 3.28Å; A304-C316 HydrophobicContact CB-CB 3.59Å
305D92.9Very high86.8Confident36 Ų3652.8 Ų52.819%0.19329%0.286CS..  trans-114.495171.9-168.7-14.8000111S47 A48 N49 T51 S303 S307S47-D305 CarbonylContact C-O 3.42Å; S47-D305 WeakPolarHBondContact CA-O 3.11Å; A48-D305 PolarHBondContact N-O 3.2Å; N49-D305 PolarHBondContact ND2-OD2 2.74Å; T51-D305 PolarHBondContact OG1-N 2.87Å; S303-D305 PolarHBondContact O-N 2.9Å; D305-S307 WeakPolarHBondContact OD1-CB 3.37Å; D305-S307 PolarHBondContact OD1-N 2.96Å; D305-S307 PolarHBondContact OD1-OG 3.02Å
306F92.7Very high86.5Confident8 Ų853.1 Ų53.14%0.03529%0.289CS..  trans-109.436.7171.7-66.9-67.7000112.1I43 G46 T51 A298 A304 N308 I309 F310 L315 V317I43-F306 HydrophobicContact CG2-CE1 3.55Å; I43-F306 HydrophobicContact CG2-CZ 3.84Å; G46-F306 CarbonylContact O-C 3.59Å; G46-F306 VanDerWaalsContact O-CA 3.29Å; G46-F306 WeakPolarHBondContact O-CA 3.27Å; T51-F306 HydrophobicContact CG2-CE1 4.22Å; T51-F306 HydrophobicContact CG2-CZ 4Å; A298-F306 HydrophobicContact CB-CE2 4.42Å; A298-F306 HydrophobicContact CB-CZ 3.84Å; A298-F306 WeakPolarHBondContact O-CE2 3.26Å; A304-F306 HydrophobicContact CB-CD2 4.01Å; A304-F306 HydrophobicContact CB-CE2 3.92Å; F306-N308 PolarHBondContact O-N 2.98Å; F306-N308 VanDerWaalsContact O-N 3.08Å; F306-I309 HydrophobicContact CB-CB 4.26Å; F306-I309 HydrophobicContact CB-CD1 3.97Å; F306-I309 HydrophobicContact CB-CG1 4.02Å; F306-I309 HydrophobicContact CD1-CD1 3.57Å; F306-I309 HydrophobicContact CD1-CG1 4.21Å; F306-I309 HydrophobicContact CE1-CD1 4.39Å; F306-I309 HydrophobicContact CG-CD1 3.98Å; F306-I309 PolarHBondContact O-N 2.75Å; F306-F310 HydrophobicContact CB-CD2 3.67Å; F306-F310 HydrophobicContact CB-CE2 3.65Å; F306-F310 HydrophobicContact CG-CE2 4.33Å; F306-F310 PolarHBondContact O-N 2.9Å; F306-F310 VanDerWaalsContact O-N 3.08Å; F306-L315 WeakPolarHBondContact CD2-O 3.35Å; F306-V317 HydrophobicContact CE1-CG2 4.37Å; F306-V317 HydrophobicContact CE2-CG2 3.95Å; F306-V317 HydrophobicContact CZ-CG2 3.67Å
307S90Very high86.3Confident52 Ų5250 Ų5036%0.36427%0.272SS..THydrogen-bonded Turntrans-59.2-18.5178.953.90000113.5A48 K105 D305A48-S307 WeakPolarHBondContact CB-OG 3.45Å; K105-S307 VanDerWaalsContact CE-O 3.24Å; K105-S307 WeakPolarHBondContact CE-O 3.47Å; K105-S307 PolarHBondContact NZ-O 2.65Å; D305-S307 WeakPolarHBondContact OD1-CB 3.37Å; D305-S307 PolarHBondContact OD1-N 2.96Å; D305-S307 PolarHBondContact OD1-OG 3.02Å
308N88.9Confident86.2Confident66 Ų6649.9 Ų49.935%0.35327%0.273SS..THydrogen-bonded Turntrans-84.1-15.1172.9-63.4-39.3000113.5G46 S47 K105 F306G46-N308 WeakPolarHBondContact O-CB 2.89Å; G46-N308 PolarHBondContact O-N 2.88Å; S47-N308 PolarHBondContact O-ND2 3.49Å; K105-N308 WeakPolarHBondContact CD-O 2.85Å; F306-N308 PolarHBondContact O-N 2.98Å; F306-N308 VanDerWaalsContact O-N 3.08Å
309I84Confident86.2Confident9 Ų950.8 Ų50.85%0.04628%0.277CS..THydrogen-bonded Turntrans-89.8-51173.2-49.4-172.5000110.8I104 K105 F108 F306I104-I309 CarbonylContact C-O 3.44Å; I104-I309 WeakPolarHBondContact CA-O 3.39Å; I104-I309 HydrophobicContact CG2-CG2 4.12Å; K105-I309 PolarHBondContact N-O 3.28Å; F108-I309 HydrophobicContact CD1-CB 4.42Å; F108-I309 HydrophobicContact CD1-CG1 4.44Å; F108-I309 HydrophobicContact CD1-CG2 3.71Å; F108-I309 HydrophobicContact CD2-CB 4.47Å; F108-I309 HydrophobicContact CD2-CG1 3.84Å; F108-I309 HydrophobicContact CE1-CB 4.48Å; F108-I309 HydrophobicContact CE1-CD1 4.29Å; F108-I309 HydrophobicContact CE1-CG1 4.24Å; F108-I309 HydrophobicContact CE1-CG2 3.65Å; F108-I309 HydrophobicContact CE2-CD1 3.82Å; F108-I309 HydrophobicContact CE2-CG1 3.62Å; F108-I309 HydrophobicContact CG-CB 4.4Å; F108-I309 HydrophobicContact CG-CG1 4.24Å; F108-I309 HydrophobicContact CG-CG2 4.17Å; F108-I309 HydrophobicContact CZ-CD1 3.68Å; F108-I309 HydrophobicContact CZ-CG1 3.83Å; F108-I309 HydrophobicContact CZ-CG2 4.09Å; F306-I309 HydrophobicContact CB-CB 4.26Å; F306-I309 HydrophobicContact CB-CD1 3.97Å; F306-I309 HydrophobicContact CB-CG1 4.02Å; F306-I309 HydrophobicContact CD1-CD1 3.57Å; F306-I309 HydrophobicContact CD1-CG1 4.21Å; F306-I309 HydrophobicContact CE1-CD1 4.39Å; F306-I309 HydrophobicContact CG-CD1 3.98Å; F306-I309 PolarHBondContact O-N 2.75Å
310F81.3Confident86.3Confident10 Ų1050.4 Ų50.44%0.04428%0.276CS..BIsolated β-bridgetrans-107.8147.7-163.3-52.3-60.9000112.7V98 V102 K103 I104 K105 F306 L315V98-F310 HydrophobicContact CG1-CE1 4.09Å; V98-F310 HydrophobicContact CG1-CZ 4.33Å; V102-F310 HydrophobicContact CG1-CD1 3.19Å; V102-F310 HydrophobicContact CG1-CE1 3.31Å; V102-F310 HydrophobicContact CG1-CG 4.2Å; V102-F310 HydrophobicContact CG1-CZ 4.38Å; K103-F310 WeakPolarHBondContact O-CA 3.29Å; I104-F310 HydrophobicContact CG1-CD1 4.44Å; I104-F310 HydrophobicContact CG1-CE1 4.31Å; K105-F310 WeakPolarHBondContact CE-O 3.36Å; F306-F310 HydrophobicContact CB-CD2 3.67Å; F306-F310 HydrophobicContact CB-CE2 3.65Å; F306-F310 HydrophobicContact CG-CE2 4.33Å; F306-F310 PolarHBondContact O-N 2.9Å; F306-F310 VanDerWaalsContact O-N 3.08Å; F310-L315 HydrophobicContact CD1-CD1 3.62Å; F310-L315 HydrophobicContact CD2-CB 3.84Å; F310-L315 HydrophobicContact CD2-CD1 3.73Å; F310-L315 HydrophobicContact CD2-CG 4.24Å; F310-L315 HydrophobicContact CE1-CD1 3.58Å; F310-L315 HydrophobicContact CE2-CB 3.55Å; F310-L315 HydrophobicContact CE2-CD1 3.7Å; F310-L315 HydrophobicContact CE2-CG 4.23Å; F310-L315 HydrophobicContact CG-CD1 3.68Å; F310-L315 HydrophobicContact CZ-CB 4.1Å; F310-L315 HydrophobicContact CZ-CD1 3.61Å
311I73.8Confident86.4Confident107 Ų10747.7 Ų47.755%0.54926%0.261SS..SBendtrans-84.2-36.7-176.8-61.5179.4000112.2K103 K105K103-I311 HydrophobicContact CB-CB 4.22Å; K103-I311 HydrophobicContact CB-CD1 4.11Å; K103-I311 HydrophobicContact CB-CG1 4.33Å; K103-I311 PolarHBondContact O-N 3.24Å; K103-I311 VanDerWaalsContact O-N 3.08Å; K105-I311 HydrophobicContact CG-CG1 3.7Å
312S65.4Low86.7Confident90 Ų9043.9 Ų43.963%0.62924%0.236SC*.SBendtrans-144.3-8.7-172.253.10000115.5
313D66.7Low86.9Confident59 Ų5936.8 Ų36.832%0.31620%0.203SC..  trans-105.5129.9-166.8-51.6-44.5000110.5L315D313-L315 HydrophobicContact CB-CD1 3.84Å; D313-L315 HydrophobicContact CB-CD2 4.36Å; D313-L315 HydrophobicContact CB-CG 3.81Å; D313-L315 PolarHBondContact O-N 3.08Å
314K71.8Confident86.8Confident185 Ų18534.8 Ų34.880%0.80419%0.189SC*.  trans-76.3105165.7-71-169.5177.6-169.50107.8
315L83.6Confident86.6Confident8 Ų834.4 Ų34.44%0.04218%0.184CC..  trans-125.7154179.9-62.4168000108.8V102 A304 F306 F310 D313V102-L315 HydrophobicContact CB-CD1 3.98Å; V102-L315 HydrophobicContact CG1-CD1 3.27Å; V102-L315 HydrophobicContact CG2-CD1 3.43Å; V102-L315 VanDerWaalsContact CG2-CD1 3.43Å; V102-L315 HydrophobicContact CG2-CD2 4.16Å; V102-L315 HydrophobicContact CG2-CG 4.45Å; A304-L315 WeakPolarHBondContact CB-O 3.28Å; F306-L315 WeakPolarHBondContact CD2-O 3.35Å; F310-L315 HydrophobicContact CD1-CD1 3.62Å; F310-L315 HydrophobicContact CD2-CB 3.84Å; F310-L315 HydrophobicContact CD2-CD1 3.73Å; F310-L315 HydrophobicContact CD2-CG 4.24Å; F310-L315 HydrophobicContact CE1-CD1 3.58Å; F310-L315 HydrophobicContact CE2-CB 3.55Å; F310-L315 HydrophobicContact CE2-CD1 3.7Å; F310-L315 HydrophobicContact CE2-CG 4.23Å; F310-L315 HydrophobicContact CG-CD1 3.68Å; F310-L315 HydrophobicContact CZ-CB 4.1Å; F310-L315 HydrophobicContact CZ-CD1 3.61Å; D313-L315 HydrophobicContact CB-CD1 3.84Å; D313-L315 HydrophobicContact CB-CD2 4.36Å; D313-L315 HydrophobicContact CB-CG 3.81Å; D313-L315 PolarHBondContact O-N 3.08Å
316C90.1Very high86.4Confident9 Ų932.7 Ų32.76%0.06118%0.175CC..  trans-121.9162.8169.367.50000109.6A298 A304 T318A298-C316 WeakPolarHBondContact O-CB 3.47Å; A304-C316 HydrophobicContact CB-CB 3.59Å; C316-T318 PolarHBondContact O-N 3.48Å
317V91.8Very high86.2Confident6 Ų632.7 Ų32.74%0.03618%0.176CC..  trans-71.2123.1164.6176.90000107I43 V165 A298 F299 F306 D319 V320I43-V317 HydrophobicContact CD1-CG2 4.4Å; I43-V317 HydrophobicContact CG1-CG2 4.38Å; I43-V317 HydrophobicContact CG2-CG2 4.34Å; V165-V317 HydrophobicContact CG2-CG1 4.19Å; V165-V317 HydrophobicContact CG2-CG2 4.45Å; A298-V317 PolarHBondContact O-N 2.9Å; F299-V317 WeakPolarHBondContact CA-O 3.48Å; F299-V317 HydrophobicContact CD1-CB 4.29Å; F299-V317 HydrophobicContact CD1-CG1 4.21Å; F299-V317 WeakPolarHBondContact CD1-O 3.2Å; F299-V317 HydrophobicContact CE1-CB 4.27Å; F299-V317 HydrophobicContact CE1-CG1 3.82Å; F306-V317 HydrophobicContact CE1-CG2 4.37Å; F306-V317 HydrophobicContact CE2-CG2 3.95Å; F306-V317 HydrophobicContact CZ-CG2 3.67Å; V317-D319 WeakPolarHBondContact CG1-O 3.43Å; V317-V320 HydrophobicContact CG1-CG2 3.99Å
318T93.6Very high86.1Confident24 Ų2430.3 Ų30.315%0.14716%0.159CC..  trans-72.9-47.7178.2-62.10000110.2T161 S162 A163 K287 C316T161-T318 WeakPolarHBondContact CA-OG1 3.49Å; T161-T318 HydrophobicContact CG2-CG2 4.11Å; S162-T318 PolarHBondContact N-OG1 3.1Å; A163-T318 VanDerWaalsContact O-CB 3.3Å; A163-T318 WeakPolarHBondContact O-CB 3.33Å; A163-T318 PolarHBondContact O-N 3.34Å; K287-T318 WeakPolarHBondContact CD-O 3.5Å; K287-T318 WeakPolarHBondContact CE-O 3.49Å; K287-T318 PolarHBondContact NZ-O 3.05Å; C316-T318 PolarHBondContact O-N 3.48Å
319D94.9Very high85.9Confident19 Ų1927.9 Ų27.910%0.10215%0.146CC..EExtended strand (participates in β ladder)trans-159.9164.6176.3-146.6-30.1000111.1V165 S285 L286 K287 V317 F321V165-D319 PolarHBondContact N-O 2.95Å; S285-D319 WeakPolarHBondContact CB-OD2 3.49Å; S285-D319 VanDerWaalsContact OG-CG 3.23Å; S285-D319 PolarHBondContact OG-OD1 3.42Å; S285-D319 PolarHBondContact OG-OD2 2.88Å; L286-D319 PolarHBondContact N-OD1 3.34Å; K287-D319 HydrophobicContact CB-CB 4.48Å; K287-D319 WeakPolarHBondContact CB-OD1 3.35Å; K287-D319 PolarHBondContact N-OD1 3.26Å; V317-D319 WeakPolarHBondContact CG1-O 3.43Å; D319-F321 HydrophobicContact CB-CD2 4.24Å; D319-F321 HydrophobicContact CB-CE2 3.65Å; D319-F321 HydrophobicContact CB-CZ 4.02Å
320V96.1Very high85.9Confident0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-118.6119.7167.9-173.40000107.4A39 I43 V165 L286 L290 F299 V317A39-V320 HydrophobicContact CB-CG1 4.22Å; I43-V320 HydrophobicContact CD1-CG2 3.69Å; V165-V320 HydrophobicContact CB-CB 4.43Å; V165-V320 HydrophobicContact CB-CG1 4.08Å; V165-V320 HydrophobicContact CB-CG2 4.11Å; V165-V320 HydrophobicContact CG1-CG1 4.19Å; V165-V320 CarbonylContact O-C 3.45Å; V165-V320 VanDerWaalsContact O-CA 3.3Å; V165-V320 WeakPolarHBondContact O-CA 3.41Å; L286-V320 HydrophobicContact CB-CB 4.09Å; L286-V320 VanDerWaalsContact CB-O 3.25Å; L286-V320 WeakPolarHBondContact CB-O 3.38Å; L286-V320 HydrophobicContact CD1-CB 4.25Å; L286-V320 HydrophobicContact CD1-CG1 3.92Å; L286-V320 WeakPolarHBondContact CG-O 3.18Å; L286-V320 PolarHBondContact N-O 2.96Å; L290-V320 HydrophobicContact CD1-CB 4.25Å; L290-V320 HydrophobicContact CD1-CG2 3.99Å; F299-V320 HydrophobicContact CE1-CG2 4.14Å; F299-V320 HydrophobicContact CZ-CG2 4.22Å; V317-V320 HydrophobicContact CG1-CG2 3.99Å
321F95.3Very high85.6Confident4 Ų432.3 Ų32.32%0.01817%0.167CC..EExtended strand (participates in β ladder)trans-101.2130.3178.6-67.9-88.1000110.5L151 I152 L157 V164 V165 L166 S167 L284 D319L151-F321 HydrophobicContact CD1-CB 4.14Å; L151-F321 HydrophobicContact CD2-CB 4.38Å; L151-F321 HydrophobicContact CG-CB 4.01Å; I152-F321 HydrophobicContact CD1-CB 3.84Å; I152-F321 HydrophobicContact CD1-CD1 4.05Å; I152-F321 HydrophobicContact CD1-CD2 3.25Å; I152-F321 HydrophobicContact CD1-CE1 4.44Å; I152-F321 HydrophobicContact CD1-CE2 3.71Å; I152-F321 HydrophobicContact CD1-CG 3.44Å; I152-F321 VanDerWaalsContact CD1-CG 3.44Å; I152-F321 HydrophobicContact CD1-CZ 4.29Å; L157-F321 HydrophobicContact CD2-CE2 4.43Å; V164-F321 HydrophobicContact CG1-CD2 3.49Å; V164-F321 VanDerWaalsContact CG1-CD2 3.49Å; V164-F321 HydrophobicContact CG1-CE2 3.77Å; V165-F321 PolarHBondContact O-N 3.36Å; L166-F321 HydrophobicContact CD2-CB 4.28Å; S167-F321 PolarHBondContact N-O 3.43Å; L284-F321 WeakPolarHBondContact O-CA 3.27Å; D319-F321 HydrophobicContact CB-CD2 4.24Å; D319-F321 HydrophobicContact CB-CE2 3.65Å; D319-F321 HydrophobicContact CB-CZ 4.02Å
322H93.9Very high85.1Confident0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-126.3138.8178.4179.169.7000111.7S32 I36 S167 L284 L286 S324S32-H322 PolarHBondContact N-NE2 2.99Å; I36-H322 HydrophobicContact CD1-CB 4.42Å; I36-H322 HydrophobicContact CG1-CB 4.16Å; S167-H322 VanDerWaalsContact O-CA 3.26Å; S167-H322 WeakPolarHBondContact O-CA 3.22Å; S167-H322 PolarHBondContact O-ND1 2.73Å; S167-H322 PolarHBondContact OG-ND1 2.8Å; L284-H322 WeakPolarHBondContact CB-O 3.38Å; L284-H322 PolarHBondContact N-O 3.21Å; L284-H322 PolarHBondContact O-N 2.89Å; L286-H322 HydrophobicContact CD1-CB 3.73Å; L286-H322 HydrophobicContact CG-CB 4.15Å; H322-S324 PolarHBondContact CE1-OG 3.46Å; H322-S324 PolarHBondContact NE2-OG 3.33Å
323K92Very high84.5Confident24 Ų2426.9 Ų26.910%0.10414%0.138CC..EExtended strand (participates in β ladder)trans-148.2129.4170.7-172.3156.5174.11730110.1I148 E150 L151 S167 T168 T169 Q280 P283I148-K323 HydrophobicContact CD1-CB 4.44Å; I148-K323 HydrophobicContact CD1-CG 4.33Å; I148-K323 HydrophobicContact CG2-CD 3.89Å; I148-K323 HydrophobicContact CG2-CG 4.33Å; E150-K323 PolarHBondContact O-NZ 3.49Å; L151-K323 HydrophobicContact CD1-CB 3.51Å; S167-K323 PolarHBondContact O-N 2.98Å; S167-K323 VanDerWaalsContact O-N 3.15Å; T168-K323 WeakPolarHBondContact CA-O 3.42Å; T169-K323 PolarHBondContact N-O 3.41Å; T169-K323 VanDerWaalsContact N-O 3.11Å; Q280-K323 WeakPolarHBondContact O-CE 3.39Å; P283-K323 HydrophobicContact CB-CD 4.43Å; P283-K323 HydrophobicContact CG-CD 4.14Å
324S90.2Very high83.2Confident0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-118.2145.7173.3-66.50000110.7S32 T169 H322S32-S324 PolarHBondContact N-OG 2.87Å; T169-S324 CarbonylContact O-C 3.52Å; T169-S324 VanDerWaalsContact O-CA 3.22Å; T169-S324 WeakPolarHBondContact O-CA 3.48Å; T169-S324 PolarHBondContact OG1-OG 2.82Å; H322-S324 PolarHBondContact CE1-OG 3.46Å; H322-S324 PolarHBondContact NE2-OG 3.33Å
325I88.9Confident81.5Confident6 Ų623 Ų233%0.03114%0.136CC..EExtended strand (participates in β ladder)trans-122.6134.5171.2-62.5-178.6000109A147 I148 T169 Y170 F171 L278 K279A147-I325 HydrophobicContact CB-CD1 4.17Å; A147-I325 WeakPolarHBondContact O-CD1 3.42Å; I148-I325 HydrophobicContact CD1-CD1 4.33Å; I148-I325 HydrophobicContact CD1-CG1 4.37Å; I148-I325 HydrophobicContact CG1-CD1 3.44Å; I148-I325 VanDerWaalsContact CG1-CD1 3.44Å; I148-I325 HydrophobicContact CG1-CG1 3.97Å; T169-I325 PolarHBondContact O-N 3.09Å; Y170-I325 HydrophobicContact CD2-CB 3.9Å; Y170-I325 HydrophobicContact CD2-CG2 3.73Å; Y170-I325 HydrophobicContact CE2-CG2 4.08Å; F171-I325 PolarHBondContact N-O 2.9Å; L278-I325 WeakPolarHBondContact O-CA 3.15Å; K279-I325 HydrophobicContact CG-CD1 4.36Å; K279-I325 HydrophobicContact CG-CG2 4.5Å
326L88.6Confident78.7Confident0 Ų027.8 Ų27.80%018%0.176CC..EExtended strand (participates in β ladder)trans-119.5126.2166.4172.565.9000109F30 F171 L232 F276 K277 L278 I328 V365 I367F30-L326 HydrophobicContact CD1-CB 3.82Å; F30-L326 HydrophobicContact CD2-CB 4.42Å; F30-L326 HydrophobicContact CD2-CD2 4.31Å; F30-L326 HydrophobicContact CE1-CB 3.31Å; F30-L326 HydrophobicContact CE1-CD2 4.49Å; F30-L326 HydrophobicContact CE1-CG 4.41Å; F30-L326 HydrophobicContact CE2-CB 3.97Å; F30-L326 HydrophobicContact CE2-CD2 3.61Å; F30-L326 HydrophobicContact CE2-CG 4.38Å; F30-L326 HydrophobicContact CG-CB 4.34Å; F30-L326 HydrophobicContact CZ-CB 3.37Å; F30-L326 HydrophobicContact CZ-CD1 4.36Å; F30-L326 HydrophobicContact CZ-CD2 3.71Å; F30-L326 HydrophobicContact CZ-CG 4Å; F171-L326 HydrophobicContact CB-CD1 4.46Å; F171-L326 HydrophobicContact CD1-CD1 3.62Å; F171-L326 HydrophobicContact CE1-CD1 4.37Å; F171-L326 HydrophobicContact CG-CD1 4.42Å; L232-L326 HydrophobicContact CD1-CD2 4.39Å; F276-L326 HydrophobicContact CE2-CD2 4.21Å; K277-L326 CarbonylContact C-O 3.44Å; K277-L326 WeakPolarHBondContact CA-O 2.76Å; L278-L326 HydrophobicContact CB-CB 4.39Å; L278-L326 HydrophobicContact CD1-CD2 4.46Å; L278-L326 PolarHBondContact N-O 3.4Å; L278-L326 PolarHBondContact O-N 3.44Å; L326-I328 HydrophobicContact CD1-CD1 3.76Å; L326-I328 HydrophobicContact CD1-CG1 4.22Å; L326-I328 HydrophobicContact CD2-CD1 4.15Å; L326-I328 HydrophobicContact CD2-CG1 4.01Å; L326-I328 HydrophobicContact CG-CD1 3.98Å; L326-I328 HydrophobicContact CG-CG1 3.87Å; L326-V365 HydrophobicContact CD2-CG2 4.38Å; L326-I367 HydrophobicContact CD1-CD1 4Å; L326-I367 HydrophobicContact CD1-CG1 4.22Å
327D88.7Confident75.6Confident9 Ų929 Ų295%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-109.1117.1174.9-159-15.6000108.8Y170 F171 K172 K277Y170-D327 HydrophobicContact CE2-CB 4.41Å; F171-D327 PolarHBondContact O-N 3.36Å; F171-D327 VanDerWaalsContact O-N 3.16Å; K172-D327 HydrophobicContact CB-CB 4.25Å; K172-D327 HydrophobicContact CD-CB 4.43Å; K172-D327 HydrophobicContact CG-CB 4.25Å; K277-D327 WeakPolarHBondContact CD-OD1 3.19Å; K277-D327 WeakPolarHBondContact CE-OD1 3.39Å; K277-D327 VanDerWaalsContact CE-OD2 3.29Å; K277-D327 WeakPolarHBondContact CE-OD2 3.5Å; K277-D327 WeakPolarHBondContact CG-OD1 3.49Å; K277-D327 IonicContact NZ-OD1 3.9Å; K277-D327 PolarHBondContact NZ-OD1 3.15Å; K277-D327 IonicContact NZ-OD2 2.86Å; K277-D327 PolarHBondContact NZ-OD2 3.03Å
328I87.6Confident72.5Confident2 Ų234.9 Ų34.91%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-117.2112.4177.3-63.4-58.2000108.1W175 M202 L232 L273 K275 F276 L326W175-I328 HydrophobicContact CH2-CD1 3.9Å; W175-I328 HydrophobicContact CZ2-CD1 3.85Å; W175-I328 HydrophobicContact CZ2-CG2 3.85Å; M202-I328 HydrophobicContact CE-CG2 3.66Å; L232-I328 HydrophobicContact CD1-CD1 4.41Å; L232-I328 HydrophobicContact CD2-CD1 4.24Å; L273-I328 HydrophobicContact CD2-CG2 4.26Å; K275-I328 WeakPolarHBondContact CG-O 3.17Å; F276-I328 HydrophobicContact CD1-CB 4.47Å; F276-I328 HydrophobicContact CD2-CG1 4.47Å; F276-I328 HydrophobicContact CE1-CB 4.25Å; F276-I328 HydrophobicContact CE1-CG1 4.21Å; F276-I328 HydrophobicContact CE1-CG2 4.26Å; F276-I328 HydrophobicContact CE2-CB 4.37Å; F276-I328 HydrophobicContact CE2-CG1 3.86Å; F276-I328 HydrophobicContact CZ-CB 4.22Å; F276-I328 HydrophobicContact CZ-CG1 3.72Å; F276-I328 PolarHBondContact N-O 3.45Å; F276-I328 PolarHBondContact O-N 3.4Å; L326-I328 HydrophobicContact CD1-CD1 3.76Å; L326-I328 HydrophobicContact CD1-CG1 4.22Å; L326-I328 HydrophobicContact CD2-CD1 4.15Å; L326-I328 HydrophobicContact CD2-CG1 4.01Å; L326-I328 HydrophobicContact CG-CD1 3.98Å; L326-I328 HydrophobicContact CG-CG1 3.87Å
329D86.2Confident69.6Low15 Ų1539.2 Ų39.28%0.0825%0.253CS..  trans-133-176.7174.761.819.2000111.2K172 W175 E331K172-D329 WeakPolarHBondContact CE-OD2 3.31Å; K172-D329 IonicContact NZ-OD2 2.87Å; K172-D329 PolarHBondContact NZ-OD2 3.45Å; W175-D329 PolarHBondContact NE1-O 3.43Å; D329-E331 PolarHBondContact O-N 3.37Å; D329-E331 WeakPolarHBondContact OD1-CB 3.05Å; D329-E331 PolarHBondContact OD1-N 2.65Å
330E82.6Confident66.5Low9 Ų941 Ų414%0.04227%0.27CS..SBendtrans-72.9-14.5-176.7-65.486.716900113.5F179 N181 S184 M202 K275 G332F179-E330 HydrophobicContact CB-CB 4.19Å; F179-E330 HydrophobicContact CB-CG 4.15Å; F179-E330 PolarHBondContact N-O 2.96Å; N181-E330 WeakPolarHBondContact OD1-CB 3.21Å; N181-E330 VanDerWaalsContact OD1-CG 3.23Å; N181-E330 WeakPolarHBondContact OD1-CG 3.29Å; S184-E330 WeakPolarHBondContact OG-CG 3.38Å; S184-E330 PolarHBondContact OG-OE1 2.94Å; M202-E330 HydrophobicContact CB-CG 4.47Å; M202-E330 HydrophobicContact CG-CG 3.83Å; M202-E330 HydrophobicContact SD-CB 4.32Å; M202-E330 HydrophobicContact SD-CG 3.73Å; M202-E330 PolarHBondContact SD-N 2.89Å; K275-E330 VanDerWaalsContact CE-OE2 3.28Å; K275-E330 WeakPolarHBondContact CE-OE2 3.36Å; K275-E330 IonicContact NZ-OE1 3.8Å; K275-E330 PolarHBondContact NZ-OE1 3.38Å; K275-E330 IonicContact NZ-OE2 2.75Å; K275-E330 PolarHBondContact NZ-OE2 3.28Å; E330-G332 PolarHBondContact O-N 3.02Å
331E76.5Confident63.5Low103 Ų10345 Ų4548%0.48130%0.297SS..  trans-66131.1-166.9-58.7-173.9155.900110.8K172 L174 W175 D329K172-E331 WeakPolarHBondContact CE-OE2 3.15Å; K172-E331 IonicContact NZ-OE2 3.98Å; K172-E331 PolarHBondContact NZ-OE2 2.83Å; L174-E331 WeakPolarHBondContact CA-O 3.31Å; L174-E331 HydrophobicContact CD2-CB 3.43Å; L174-E331 VanDerWaalsContact CD2-CB 3.43Å; W175-E331 VanDerWaalsContact CD1-O 3.23Å; W175-E331 PolarHBondContact N-O 3.08Å; D329-E331 PolarHBondContact O-N 3.37Å; D329-E331 WeakPolarHBondContact OD1-CB 3.05Å; D329-E331 PolarHBondContact OD1-N 2.65Å
332G63.5Low60.4Low16 Ų1649.7 Ų49.717%0.16533%0.326CS..BIsolated β-bridgetrans-168.4-173.8-176.700000111.2W175 E330 V334W175-G332 CarbonylContact O-C 3.54Å; W175-G332 WeakPolarHBondContact O-CA 3.45Å; E330-G332 PolarHBondContact O-N 3.02Å; G332-V334 PolarHBondContact O-N 3.02Å
333V51.1Low57.7Low67 Ų6756.8 Ų56.841%0.40636%0.357SS..  trans-60.9112.6162.2-178.50000106.3W175 S178 I226 A335W175-V333 PolarHBondContact O-N 3.44Å; S178-V333 VanDerWaalsContact CB-O 3.25Å; S178-V333 WeakPolarHBondContact CB-O 3.46Å; S178-V333 PolarHBondContact N-O 3.16Å; S178-V333 PolarHBondContact OG-O 2.91Å; I226-V333 HydrophobicContact CD1-CG2 3.38Å; I226-V333 HydrophobicContact CG1-CG2 3.64Å; V333-A335 PolarHBondContact O-N 3.39Å
334V40.5Very low54.9Low118 Ų11861.6 Ų61.672%0.71538%0.384SS*.  trans-54.4108.4167.3178.70000105S178 G332 A336S178-V334 WeakPolarHBondContact OG-CA 3.46Å; G332-V334 PolarHBondContact O-N 3.02Å; V334-A336 VanDerWaalsContact C-N 3.27Å; V334-A336 PolarHBondContact O-N 3.48Å
335A35Very low52.4Low44 Ų4469.1 Ų69.136%0.36442%0.424SS..  trans-59.1101.2175.400000105.8S178 V333 G337 V338S178-A335 PolarHBondContact OG-N 3.25Å; V333-A335 PolarHBondContact O-N 3.39Å; A335-G337 WeakPolarHBondContact CB-O 3.4Å; A335-G337 CarbonylContact O-C 3.51Å; A335-G337 PolarHBondContact O-N 3.06Å; A335-V338 PolarHBondContact O-N 3.34Å
336A25.7Very low49.8Very low108 Ų10873.9 Ų73.989%0.89346%0.457SS*.SBendtrans-67.38.5177.700000112.2V334V334-A336 VanDerWaalsContact C-N 3.27Å; V334-A336 PolarHBondContact O-N 3.48Å
337G25.8Very low47.4Very low34 Ų3481.9 Ų81.935%0.35150%0.5SS..  trans-123.2121.1144.600000106.1A335 T339A335-G337 WeakPolarHBondContact CB-O 3.4Å; A335-G337 CarbonylContact O-C 3.51Å; A335-G337 PolarHBondContact O-N 3.06Å; G337-T339 PolarHBondContact O-N 2.93Å
338V26.1Very low45Very low130 Ų13086.2 Ų86.279%0.78853%0.53SS*.  21.643.558.8-156.30000111.9A335 A340A335-V338 PolarHBondContact O-N 3.34Å; V338-A340 HydrophobicContact CG1-CB 3.5Å; V338-A340 VanDerWaalsContact CG1-CB 3.5Å
339T31.8Very low42.8Very low115 Ų11595.9 Ų95.971%0.70658%0.576SS**  trans-82.358.8130.3-26.90000104.4G337 C341G337-T339 PolarHBondContact O-N 2.93Å; T339-C341 PolarHBondContact O-N 2.88Å
340A30.8Very low40.7Very low57 Ų5799.9 Ų99.947%0.47160%0.604SS.*  -23.381.710200000110.7V338 V342V338-A340 HydrophobicContact CG1-CB 3.5Å; V338-A340 VanDerWaalsContact CG1-CB 3.5Å; A340-V342 HydrophobicContact CB-CG2 3.79Å; A340-V342 PolarHBondContact O-N 3.16Å
341C33.4Very low39.1Very low84 Ų84104.9 Ų104.957%0.56864%0.641SS**  trans-55.173.7133.4-67.20000105.5T339 F343T339-C341 PolarHBondContact O-N 2.88Å; C341-F343 HydrophobicContact CB-CD2 4.23Å; C341-F343 HydrophobicContact CB-CE2 4.06Å; C341-F343 HydrophobicContact CB-CZ 4.46Å; C341-F343 PolarHBondContact O-N 3.13Å
342V29.2Very low37.9Very low103 Ų103107 Ų10762%0.62465%0.651SS**  trans-56.596.2141.3-174.20000100.9A340 D344A340-V342 HydrophobicContact CB-CG2 3.79Å; A340-V342 PolarHBondContact O-N 3.16Å; V342-D344 PolarHBondContact O-N 3.12Å
343F38.6Very low37.4Very low149 Ų149110.4 Ų110.465%0.65468%0.677SS**  trans-59.984.1153.2-68.5-83.7000103.9C341 N345C341-F343 HydrophobicContact CB-CD2 4.23Å; C341-F343 HydrophobicContact CB-CE2 4.06Å; C341-F343 HydrophobicContact CB-CZ 4.46Å; C341-F343 PolarHBondContact O-N 3.13Å; F343-N345 PolarHBondContact O-N 3.02Å; F343-N345 VanDerWaalsContact O-N 3.11Å
344D32.7Very low38.3Very low125 Ų125111.8 Ų111.867%0.66868%0.679SS**  trans-52.4117.2147.8-92.8-21.4000103V342 C346V342-D344 PolarHBondContact O-N 3.12Å; D344-C346 PolarHBondContact O-N 3.08Å
345N36.5Very low40.8Very low158 Ų158108.9 Ų108.985%0.84566%0.662SS**  trans-51.985.2174.2-82.6-22.2000108.5F343F343-N345 PolarHBondContact O-N 3.02Å; F343-N345 VanDerWaalsContact O-N 3.11Å
346C34.3Very low43.6Very low106 Ų106111 Ų11172%0.71666%0.664SS**  trans-104.393.8170.5-82.80000104.3D344 S348D344-C346 PolarHBondContact O-N 3.08Å; C346-S348 PolarHBondContact O-N 3.34Å
347D38.3Very low47Very low168 Ų168105.9 Ų105.990%0.89862%0.621SS**  trans-32.999.5166.1-69.5-44.5000111.3
348S39.2Very low50.4Low99 Ų99107.2 Ų107.269%0.69262%0.616SS**  trans-155116.8154.556.70000109C346 S350C346-S348 PolarHBondContact O-N 3.34Å; S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 3.23Å
349E41.2Very low53.7Low206 Ų206101 Ų10196%0.96358%0.578SS**SBendtrans-61.588.9177.2-63.8173.8146.900110.2
350S42Very low56.8Low98 Ų9896.9 Ų96.969%0.68555%0.552SS**  trans-177.477.7150.344.70000108S348 E352S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 3.23Å; S350-E352 VanDerWaalsContact C-N 3.28Å; S350-E352 PolarHBondContact O-N 2.82Å
351S48.9Very low59.9Low115 Ų11594.6 Ų94.680%0.80453%0.531SS*.  trans-60.4102.8158.361.10000105.8A353S351-A353 PolarHBondContact O-N 3.47Å
352E51.7Low62.9Low148 Ų14890.6 Ų90.669%0.69250%0.504SS*.  trans-49117.2156.7-76.2-177163.800105S350 E354S350-E352 VanDerWaalsContact C-N 3.28Å; S350-E352 PolarHBondContact O-N 2.82Å; E352-E354 PolarHBondContact O-N 3.41Å
353A52.2Low66.1Low87 Ų8785.7 Ų85.772%0.71948%0.475SS*.  trans-57.9109.1-177.800000107.2S351 V355S351-A353 PolarHBondContact O-N 3.47Å; A353-V355 PolarHBondContact O-N 2.7Å; A353-V355 VanDerWaalsContact O-N 3.13Å
354E71.6Confident68.8Low96 Ų9678.6 Ų78.645%0.44944%0.444SS..  trans-57.5120.1-177-62.6177.2171.200108.6N270 E352 E356N270-E354 VanDerWaalsContact ND2-CB 3.31Å; N270-E354 WeakPolarHBondContact ND2-CB 3.23Å; N270-E354 PolarHBondContact ND2-OE2 2.71Å; E352-E354 PolarHBondContact O-N 3.41Å; E354-E356 PolarHBondContact O-N 3.42Å
355V91.3Very high71.8Confident57 Ų5772.6 Ų72.635%0.34541%0.412SS..EExtended strand (participates in β ladder)trans-80.8112.8-177.8178.80000108.1M210 T267 L269 N270 A353M210-V355 HydrophobicContact CE-CG1 4.38Å; M210-V355 HydrophobicContact SD-CG1 4.13Å; T267-V355 HydrophobicContact CG2-CB 4.48Å; T267-V355 HydrophobicContact CG2-CG2 4.34Å; L269-V355 VanDerWaalsContact CA-O 3.28Å; L269-V355 WeakPolarHBondContact CA-O 3.48Å; L269-V355 HydrophobicContact CD2-CB 3.72Å; L269-V355 HydrophobicContact CD2-CG1 3.75Å; N270-V355 PolarHBondContact N-O 3.37Å; A353-V355 PolarHBondContact O-N 2.7Å; A353-V355 VanDerWaalsContact O-N 3.13Å
356E94.7Very high74.5Confident88 Ų8865.1 Ų65.141%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-79126.8176.4-176.6178.7102.100111.1R219 Y272 E354 R358R219-E356 PolarHBondContact NH1-O 2.65Å; R219-E356 PolarHBondContact NH2-O 2.85Å; Y272-E356 HydrophobicContact CD2-CG 4.2Å; Y272-E356 HydrophobicContact CE2-CG 3.92Å; E354-E356 PolarHBondContact O-N 3.42Å; E356-R358 HydrophobicContact CG-CB 4.12Å
357F96.4Very high77.4Confident0 Ų060 Ų600%034%0.337CS..EExtended strand (participates in β ladder)trans-116.787.9168.8-162.2-77.4000109.8M210 R219 I221 V234 L236 L269 N270 L271 Y272 V359M210-F357 HydrophobicContact CE-CD2 3.89Å; M210-F357 HydrophobicContact CE-CE2 4.26Å; M210-F357 HydrophobicContact SD-CD2 4.27Å; R219-F357 HydrophobicContact CB-CE2 3.95Å; R219-F357 HydrophobicContact CG-CD2 4.14Å; R219-F357 HydrophobicContact CG-CE2 3.45Å; R219-F357 VanDerWaalsContact CG-CE2 3.45Å; R219-F357 HydrophobicContact CG-CZ 4.1Å; I221-F357 HydrophobicContact CB-CE2 4.44Å; I221-F357 HydrophobicContact CB-CZ 4.38Å; I221-F357 HydrophobicContact CD1-CD1 3.63Å; I221-F357 HydrophobicContact CD1-CE1 3.55Å; I221-F357 HydrophobicContact CD1-CG 4.26Å; I221-F357 HydrophobicContact CD1-CZ 4.14Å; I221-F357 HydrophobicContact CG1-CD1 4.23Å; I221-F357 HydrophobicContact CG1-CE1 3.74Å; I221-F357 HydrophobicContact CG1-CE2 4.35Å; I221-F357 HydrophobicContact CG1-CZ 3.82Å; I221-F357 HydrophobicContact CG2-CD1 4.31Å; I221-F357 HydrophobicContact CG2-CD2 3.56Å; I221-F357 HydrophobicContact CG2-CE1 4.27Å; I221-F357 HydrophobicContact CG2-CE2 3.51Å; I221-F357 HydrophobicContact CG2-CG 3.98Å; I221-F357 HydrophobicContact CG2-CZ 3.9Å; V234-F357 HydrophobicContact CG1-CE1 4.26Å; L236-F357 HydrophobicContact CB-CE1 4.09Å; L236-F357 HydrophobicContact CB-CZ 3.72Å; L236-F357 HydrophobicContact CD2-CE1 4.13Å; L236-F357 HydrophobicContact CD2-CZ 4.32Å; L269-F357 HydrophobicContact CD1-CB 4.14Å; N270-F357 PolarHBondContact O-N 2.86Å; L271-F357 HydrophobicContact CD1-CB 4.33Å; L271-F357 HydrophobicContact CD1-CD1 3.91Å; L271-F357 HydrophobicContact CD1-CG 4.49Å; Y272-F357 PolarHBondContact N-O 3Å; F357-V359 HydrophobicContact CD1-CG2 3.82Å; F357-V359 HydrophobicContact CE1-CG2 3.56Å
358R96.6Very high80Confident62 Ų6252.1 Ų52.123%0.23430%0.295CS..EExtended strand (participates in β ladder)trans-100.4115.7-178.3-171.5-175.5-171.5126.63.5111.3S187 L236 Y272 E356 D360S187-R358 PolarHBondContact OG-NH2 3.39Å; L236-R358 WeakPolarHBondContact CD2-O 3.39Å; Y272-R358 HydrophobicContact CD2-CB 4.08Å; Y272-R358 HydrophobicContact CD2-CG 4.22Å; Y272-R358 HydrophobicContact CG-CB 4.48Å; Y272-R358 HydrophobicContact CG-CG 4.19Å; E356-R358 HydrophobicContact CG-CB 4.12Å; R358-D360 VanDerWaalsContact C-N 3.34Å; R358-D360 WeakPolarHBondContact CD-OD2 2.88Å; R358-D360 HydrophobicContact CG-CB 3.91Å; R358-D360 IonicContact NE-OD2 3.61Å; R358-D360 PolarHBondContact O-N 3.39Å
359V97.2Very high82.5Confident0 Ų048 Ų480%026%0.264CS..  trans-91.370177.4-174.80000109.1V234 L236 Y272 L273 P274 F357 F363V234-V359 HydrophobicContact CG1-CG2 4.07Å; L236-V359 HydrophobicContact CD1-CG1 4.21Å; L236-V359 HydrophobicContact CD2-CG2 4.4Å; Y272-V359 WeakPolarHBondContact O-CB 3.4Å; Y272-V359 PolarHBondContact O-N 2.87Å; L273-V359 HydrophobicContact CD1-CB 4.35Å; L273-V359 HydrophobicContact CD1-CG1 4.48Å; L273-V359 HydrophobicContact CD1-CG2 4.04Å; P274-V359 WeakPolarHBondContact CD-O 3.3Å; P274-V359 HydrophobicContact CG-CG1 4.12Å; F357-V359 HydrophobicContact CD1-CG2 3.82Å; F357-V359 HydrophobicContact CE1-CG2 3.56Å; V359-F363 HydrophobicContact CG1-CB 4.23Å; V359-F363 HydrophobicContact CG1-CD1 3.26Å; V359-F363 HydrophobicContact CG1-CD2 4.09Å; V359-F363 HydrophobicContact CG1-CE1 3.43Å; V359-F363 VanDerWaalsContact CG1-CE1 3.43Å; V359-F363 HydrophobicContact CG1-CE2 4.22Å; V359-F363 HydrophobicContact CG1-CG 3.61Å; V359-F363 HydrophobicContact CG1-CZ 3.91Å
360D96.3Very high84.8Confident29 Ų2941.4 Ų41.416%0.15524%0.236CC..  trans-102.710.2-176.861.4-2.7000113.6F189 F190 R358F189-D360 CarbonylContact C-O 3.58Å; F189-D360 VanDerWaalsContact CA-O 3.23Å; F189-D360 WeakPolarHBondContact CA-O 3.39Å; F189-D360 VanDerWaalsContact CD2-C 3.41Å; F190-D360 WeakPolarHBondContact CD2-O 3.45Å; F190-D360 PolarHBondContact N-O 3.16Å; R358-D360 VanDerWaalsContact C-N 3.34Å; R358-D360 WeakPolarHBondContact CD-OD2 2.88Å; R358-D360 HydrophobicContact CG-CB 3.91Å; R358-D360 IonicContact NE-OD2 3.61Å; R358-D360 PolarHBondContact O-N 3.39Å
361H96.4Very high86.9Confident8 Ų840.6 Ų40.64%0.03722%0.224CC..BIsolated β-bridgetrans-153173.6177.862.5-87.4000110.5F189 F190 L236 P237 N240 F363F189-H361 WeakPolarHBondContact CE2-O 3.47Å; F189-H361 WeakPolarHBondContact CZ-O 2.91Å; F190-H361 HydrophobicContact CB-CB 3.99Å; F190-H361 WeakPolarHBondContact O-CA 3.39Å; L236-H361 VanDerWaalsContact CD1-CE1 3.48Å; L236-H361 WeakPolarHBondContact CD1-CE1 3.35Å; L236-H361 WeakPolarHBondContact CD1-NE2 3.37Å; P237-H361 PolarHBondContact O-CE1 3.41Å; P237-H361 PolarHBondContact O-NE2 3.3Å; N240-H361 HydrophobicContact CB-CB 4.03Å; H361-F363 VanDerWaalsContact O-CD1 3.31Å; H361-F363 WeakPolarHBondContact O-CD1 3.47Å; H361-F363 PolarHBondContact O-N 2.91Å
362S95.8Very high88.7Confident0 Ų040.8 Ų40.80%022%0.215CC..  trans-53.9131.6-171.2-60.80000113.4L192 P237 V380 T381L192-S362 WeakPolarHBondContact CG-OG 3.47Å; P237-S362 WeakPolarHBondContact CD-O 3.36Å; S362-V380 CarbonylContact C-O 3.48Å; S362-V380 WeakPolarHBondContact CA-O 3.39Å; S362-V380 WeakPolarHBondContact CB-O 3.33Å; S362-T381 WeakPolarHBondContact OG-CA 3.12Å; S362-T381 PolarHBondContact OG-O 3.05Å
363F96Very high90.4Very high0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-142161.2-169.263.1-84.2000112.8F189 V234 L236 P274 F276 V359 H361 V365 H379 V380F189-F363 HydrophobicContact CE2-CD1 4.32Å; F189-F363 HydrophobicContact CE2-CE1 4.15Å; F189-F363 HydrophobicContact CZ-CD1 4.31Å; F189-F363 HydrophobicContact CZ-CE1 4.33Å; V234-F363 HydrophobicContact CG1-CD2 3.86Å; V234-F363 HydrophobicContact CG1-CE2 4.42Å; V234-F363 HydrophobicContact CG1-CG 4.48Å; L236-F363 HydrophobicContact CD1-CB 3.86Å; P274-F363 HydrophobicContact CG-CE1 3.83Å; P274-F363 HydrophobicContact CG-CZ 3.97Å; F276-F363 HydrophobicContact CD1-CZ 4.25Å; F276-F363 HydrophobicContact CE1-CE2 4.16Å; F276-F363 AromaticContact CE1-CZ 3.58Å; F276-F363 HydrophobicContact CE1-CZ 3.58Å; F276-F363 HydrophobicContact CZ-CE2 4.16Å; F276-F363 AromaticContact CZ-CZ 3.94Å; F276-F363 HydrophobicContact CZ-CZ 3.94Å; V359-F363 HydrophobicContact CG1-CB 4.23Å; V359-F363 HydrophobicContact CG1-CD1 3.26Å; V359-F363 HydrophobicContact CG1-CD2 4.09Å; V359-F363 HydrophobicContact CG1-CE1 3.43Å; V359-F363 VanDerWaalsContact CG1-CE1 3.43Å; V359-F363 HydrophobicContact CG1-CE2 4.22Å; V359-F363 HydrophobicContact CG1-CG 3.61Å; V359-F363 HydrophobicContact CG1-CZ 3.91Å; H361-F363 VanDerWaalsContact O-CD1 3.31Å; H361-F363 WeakPolarHBondContact O-CD1 3.47Å; H361-F363 PolarHBondContact O-N 2.91Å; F363-V365 HydrophobicContact CD2-CB 4.33Å; F363-V365 HydrophobicContact CE2-CB 4.14Å; F363-H379 CarbonylContact O-C 3.52Å; F363-H379 VanDerWaalsContact O-CA 3.32Å; F363-H379 WeakPolarHBondContact O-CA 3.35Å; F363-V380 HydrophobicContact CD1-CB 4.01Å; F363-V380 HydrophobicContact CD1-CG1 4.43Å; F363-V380 HydrophobicContact CD2-CB 4.47Å; F363-V380 HydrophobicContact CD2-CG2 4.44Å; F363-V380 HydrophobicContact CE1-CB 3.59Å; F363-V380 HydrophobicContact CE1-CG1 3.71Å; F363-V380 HydrophobicContact CE1-CG2 4.09Å; F363-V380 HydrophobicContact CE2-CB 4.09Å; F363-V380 HydrophobicContact CE2-CG2 3.77Å; F363-V380 HydrophobicContact CG-CB 4.45Å; F363-V380 HydrophobicContact CZ-CB 3.65Å; F363-V380 HydrophobicContact CZ-CG1 3.96Å; F363-V380 HydrophobicContact CZ-CG2 3.58Å; F363-V380 PolarHBondContact N-O 2.86Å; F363-V380 PolarHBondContact O-N 2.73Å
364F95.4Very high92.3Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-94.8143.9171.8174.6-86.1000110.4Y15 I235 L243 L246 L247 M250 I256 L377 G378Y15-F364 HydrophobicContact CE1-CD2 4.23Å; Y15-F364 AromaticContact CE1-CE2 3.65Å; Y15-F364 HydrophobicContact CE1-CE2 3.65Å; Y15-F364 AromaticContact CZ-CE2 3.83Å; I235-F364 HydrophobicContact CB-CB 4.23Å; I235-F364 HydrophobicContact CB-CD1 4.31Å; I235-F364 HydrophobicContact CD1-CD1 3.58Å; I235-F364 HydrophobicContact CD1-CE1 4.1Å; I235-F364 HydrophobicContact CD1-CG 4.42Å; I235-F364 HydrophobicContact CG1-CD1 3.96Å; I235-F364 PolarHBondContact N-O 2.81Å; I235-F364 PolarHBondContact O-N 3.41Å; L243-F364 HydrophobicContact CD1-CB 4.43Å; L246-F364 HydrophobicContact CD2-CB 4.1Å; L247-F364 HydrophobicContact CD2-CD2 3.78Å; M250-F364 HydrophobicContact CE-CD2 3.87Å; M250-F364 HydrophobicContact CE-CE2 3.73Å; M250-F364 HydrophobicContact CE-CG 4.43Å; M250-F364 HydrophobicContact CE-CZ 4.14Å; M250-F364 HydrophobicContact SD-CE1 4.41Å; M250-F364 HydrophobicContact SD-CE2 4.49Å; M250-F364 HydrophobicContact SD-CZ 4.42Å; I256-F364 HydrophobicContact CD1-CE1 4.13Å; I256-F364 HydrophobicContact CD1-CZ 3.6Å; I256-F364 HydrophobicContact CG1-CE1 4.25Å; I256-F364 HydrophobicContact CG1-CZ 4.04Å; F364-L377 HydrophobicContact CE2-CB 4.38Å; F364-L377 HydrophobicContact CZ-CB 3.99Å; F364-G378 WeakPolarHBondContact CD2-O 3.38Å; F364-G378 WeakPolarHBondContact CE2-O 3.37Å; F364-G378 WeakPolarHBondContact CG-O 3.19Å
365V94.9Very high93.2Very high0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-137.1141-178.168.40000111.4F30 L232 L233 L278 L326 F363 L377 G378 V380F30-V365 HydrophobicContact CD2-CG1 4.37Å; L232-V365 HydrophobicContact CD1-CG2 3.3Å; L232-V365 HydrophobicContact CD2-CG2 4.33Å; L232-V365 HydrophobicContact CG-CG2 4.01Å; L233-V365 WeakPolarHBondContact O-CA 3.32Å; L278-V365 HydrophobicContact CD1-CG1 3.99Å; L326-V365 HydrophobicContact CD2-CG2 4.38Å; F363-V365 HydrophobicContact CD2-CB 4.33Å; F363-V365 HydrophobicContact CE2-CB 4.14Å; V365-L377 CarbonylContact O-C 3.56Å; V365-G378 PolarHBondContact N-O 2.88Å; V365-G378 PolarHBondContact O-N 3.32Å; V365-G378 VanDerWaalsContact O-O 3.08Å; V365-V380 HydrophobicContact CG1-CG2 4.13Å
366S94.9Very high93.2Very high0 Ų022.9 Ų22.90%011%0.112CC..EExtended strand (participates in β ladder)trans-149140.2175.3-1770000111.2L233 I368 P374 F376L233-S366 PolarHBondContact N-O 3.24Å; L233-S366 PolarHBondContact O-N 3.03Å; S366-I368 VanDerWaalsContact OG-CD1 3.26Å; S366-I368 WeakPolarHBondContact OG-CD1 3.34Å; S366-P374 WeakPolarHBondContact OG-CB 3.31Å; S366-F376 CarbonylContact C-O 3.52Å; S366-F376 WeakPolarHBondContact CA-O 3.46Å; S366-F376 WeakPolarHBondContact CB-O 3.09Å; S366-F376 PolarHBondContact OG-O 3Å
367I93.6Very high93Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-92.9117.7169.1-58.7-70.3000107.6F171 F225 Y230 M231 L232 L326 I375 F376F171-I367 HydrophobicContact CD1-CD1 4.14Å; F171-I367 HydrophobicContact CD1-CG1 4.37Å; F171-I367 HydrophobicContact CD2-CG2 4.33Å; F171-I367 HydrophobicContact CE1-CD1 3.82Å; F171-I367 HydrophobicContact CE1-CG1 4.42Å; F171-I367 HydrophobicContact CE2-CG2 3.9Å; F171-I367 HydrophobicContact CZ-CD1 4.26Å; F171-I367 HydrophobicContact CZ-CG2 4Å; F225-I367 HydrophobicContact CE2-CD1 3.67Å; F225-I367 HydrophobicContact CZ-CD1 3.81Å; Y230-I367 HydrophobicContact CD1-CG2 4.42Å; M231-I367 WeakPolarHBondContact O-CA 3.25Å; L232-I367 HydrophobicContact CB-CD1 4.37Å; L232-I367 HydrophobicContact CD1-CD1 3.43Å; L232-I367 VanDerWaalsContact CD1-CD1 3.43Å; L232-I367 HydrophobicContact CD1-CG1 4.36Å; L326-I367 HydrophobicContact CD1-CD1 4Å; L326-I367 HydrophobicContact CD1-CG1 4.22Å; I367-I375 PolarHBondContact O-N 3.38Å; I367-F376 HydrophobicContact CB-CB 4.09Å; I367-F376 HydrophobicContact CB-CD2 3.81Å; I367-F376 HydrophobicContact CB-CG 4.39Å; I367-F376 HydrophobicContact CG1-CB 4.18Å; I367-F376 HydrophobicContact CG1-CD2 4.1Å; I367-F376 HydrophobicContact CG1-CG 4.44Å; I367-F376 HydrophobicContact CG2-CD2 4.2Å; I367-F376 PolarHBondContact N-O 3.12Å; I367-F376 PolarHBondContact O-N 3.13Å
368I94Very high92.8Very high1 Ų118.7 Ų18.71%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-101.4131.7-177.5-50.8-56000109.2Y230 M231 L233 I256 L260 S366 L373 P374Y230-I368 WeakPolarHBondContact CA-O 3.48Å; M231-I368 HydrophobicContact CE-CG2 4.47Å; M231-I368 PolarHBondContact N-O 2.9Å; M231-I368 PolarHBondContact O-N 3.03Å; L233-I368 HydrophobicContact CB-CD1 4.36Å; L233-I368 HydrophobicContact CB-CG1 3.83Å; L233-I368 HydrophobicContact CD2-CD1 4.36Å; L233-I368 HydrophobicContact CD2-CG1 4.48Å; I256-I368 HydrophobicContact CG2-CD1 4.11Å; L260-I368 HydrophobicContact CD1-CD1 4.01Å; L260-I368 HydrophobicContact CD1-CG1 4.46Å; L260-I368 HydrophobicContact CD1-CG2 3.94Å; L260-I368 HydrophobicContact CD2-CD1 4.25Å; L260-I368 HydrophobicContact CD2-CG1 4.01Å; L260-I368 HydrophobicContact CD2-CG2 4.17Å; S366-I368 VanDerWaalsContact OG-CD1 3.26Å; S366-I368 WeakPolarHBondContact OG-CD1 3.34Å; I368-L373 WeakPolarHBondContact CA-O 3.35Å; I368-P374 HydrophobicContact CD1-CB 3.93Å
369W91.8Very high92.6Very high12 Ų1215.8 Ų15.85%0.0458%0.082CC..EExtended strand (participates in β ladder)trans-107.9134.4176-175.859.4000111.6L77 D80 K229 Y230 N371 I372 L373 I375L77-W369 HydrophobicContact CD2-CH2 3.93Å; L77-W369 HydrophobicContact CD2-CZ3 3.74Å; D80-W369 HydrophobicContact CB-CH2 4.37Å; D80-W369 HydrophobicContact CB-CZ2 4.12Å; D80-W369 VanDerWaalsContact OD2-CZ2 3.25Å; D80-W369 WeakPolarHBondContact OD2-CZ2 3.4Å; K229-W369 CarbonylContact O-C 3.55Å; K229-W369 VanDerWaalsContact O-CA 3.24Å; K229-W369 WeakPolarHBondContact O-CA 3.5Å; Y230-W369 HydrophobicContact CD1-CB 4.45Å; Y230-W369 AromaticContact CD1-CD1 3.73Å; Y230-W369 HydrophobicContact CD1-CG 4.45Å; Y230-W369 HydrophobicContact CE1-CB 4.42Å; Y230-W369 AromaticContact CE1-CD1 3.25Å; Y230-W369 HydrophobicContact CE1-CG 4.06Å; Y230-W369 AromaticContact CE1-NE1 3.85Å; Y230-W369 AromaticContact CZ-CD1 3.84Å; W369-N371 PolarHBondContact O-N 2.89Å; W369-N371 VanDerWaalsContact O-N 3.13Å; W369-I372 PolarHBondContact O-N 3.4Å; W369-I372 VanDerWaalsContact O-N 3.09Å; W369-L373 HydrophobicContact CE3-CB 4.38Å; W369-L373 HydrophobicContact CE3-CD2 3.8Å; W369-L373 HydrophobicContact CZ3-CD2 4.22Å; W369-L373 PolarHBondContact N-O 2.89Å; W369-L373 PolarHBondContact O-N 2.9Å; W369-I375 HydrophobicContact CB-CD1 3.26Å; W369-I375 HydrophobicContact CB-CG1 3.6Å; W369-I375 HydrophobicContact CD2-CD1 3.85Å; W369-I375 HydrophobicContact CE3-CD1 4.13Å; W369-I375 HydrophobicContact CG-CD1 3.54Å; W369-I375 HydrophobicContact CG-CG1 4.37Å
370N88.9Confident92.4Very high69 Ų6915.8 Ų15.837%0.3698%0.082SC..THydrogen-bonded Turntrans50.335.3-178.5-71.3-38.1000113.3K229 I372K229-N370 WeakPolarHBondContact CG-OD1 3.46Å; K229-N370 PolarHBondContact O-N 2.92Å; N370-I372 WeakPolarHBondContact O-CG1 3.4Å; N370-I372 PolarHBondContact O-N 2.87Å
371N86.1Confident92.2Very high81 Ų8114.9 Ų14.943%0.4338%0.078SC..THydrogen-bonded Turntrans61.80.8-176.5-81.4-67.1000116.9M231 W369M231-N371 HydrophobicContact CE-CB 4.09Å; M231-N371 WeakPolarHBondContact CE-OD1 3.5Å; M231-N371 PolarHBondContact SD-OD1 3.24Å; M231-N371 VanDerWaalsContact SD-OD1 3.39Å; W369-N371 PolarHBondContact O-N 2.89Å; W369-N371 VanDerWaalsContact O-N 3.13Å
372I86.6Confident91.8Very high119 Ų11916.5 Ų16.561%0.619%0.088SC*.THydrogen-bonded Turntrans-124.4-39.4-167.1-62.1162.8000111.7W369 N370W369-I372 PolarHBondContact O-N 3.4Å; W369-I372 VanDerWaalsContact O-N 3.09Å; N370-I372 WeakPolarHBondContact O-CG1 3.4Å; N370-I372 PolarHBondContact O-N 2.87Å
373L88.7Confident91.2Very high7 Ų716.8 Ų16.84%0.0379%0.09CC..EExtended strand (participates in β ladder)trans-110.1118.2-165.3-172.271.4000112.2L7 I368 W369 I375L7-L373 HydrophobicContact CD2-CD1 3.71Å; L7-L373 HydrophobicContact CD2-CD2 3.6Å; L7-L373 HydrophobicContact CD2-CG 4.16Å; L7-L373 HydrophobicContact CG-CD1 3.94Å; I368-L373 WeakPolarHBondContact CA-O 3.35Å; W369-L373 HydrophobicContact CE3-CB 4.38Å; W369-L373 HydrophobicContact CE3-CD2 3.8Å; W369-L373 HydrophobicContact CZ3-CD2 4.22Å; W369-L373 PolarHBondContact N-O 2.89Å; W369-L373 PolarHBondContact O-N 2.9Å; L373-I375 HydrophobicContact CD2-CG1 4.26Å; L373-I375 HydrophobicContact CG-CG1 4.48Å; L373-I375 PolarHBondContact O-N 3.31Å; L373-I375 VanDerWaalsContact O-N 3.16Å
374P90.7Very high90.4Very high3 Ų319.4 Ų19.42%0.01911%0.106CC..EExtended strand (participates in β ladder)trans-73.8103.9170.229.5-32.4000110.1I256 S366 I368I256-P374 HydrophobicContact CD1-CB 3.92Å; I256-P374 HydrophobicContact CD1-CG 4.18Å; I256-P374 HydrophobicContact CG2-CB 4.31Å; I256-P374 HydrophobicContact CG2-CG 4.42Å; S366-P374 WeakPolarHBondContact OG-CB 3.31Å; I368-P374 HydrophobicContact CD1-CB 3.93Å
375I90.7Very high89.1Confident1 Ų122.7 Ų22.71%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-80.2-34.8178-63.2-167.5000111S32 P33 F34 F81 I367 W369 L373S32-I375 VanDerWaalsContact CA-O 3.23Å; S32-I375 WeakPolarHBondContact CA-O 3.42Å; S32-I375 WeakPolarHBondContact CB-O 3.24Å; S32-I375 PolarHBondContact OG-O 2.94Å; P33-I375 WeakPolarHBondContact CD-O 3.28Å; F34-I375 HydrophobicContact CB-CG2 3.96Å; F34-I375 HydrophobicContact CD1-CG2 4.12Å; F34-I375 HydrophobicContact CG-CG2 4.31Å; F81-I375 HydrophobicContact CD2-CD1 3.22Å; F81-I375 HydrophobicContact CD2-CG2 4.42Å; F81-I375 HydrophobicContact CE1-CG2 3.9Å; F81-I375 HydrophobicContact CE2-CB 4.47Å; F81-I375 HydrophobicContact CE2-CD1 3.37Å; F81-I375 HydrophobicContact CE2-CG1 4.5Å; F81-I375 HydrophobicContact CE2-CG2 3.79Å; F81-I375 HydrophobicContact CG-CD1 3.89Å; F81-I375 HydrophobicContact CZ-CD1 4.15Å; F81-I375 HydrophobicContact CZ-CG2 3.54Å; I367-I375 PolarHBondContact O-N 3.38Å; W369-I375 HydrophobicContact CB-CD1 3.26Å; W369-I375 HydrophobicContact CB-CG1 3.6Å; W369-I375 HydrophobicContact CD2-CD1 3.85Å; W369-I375 HydrophobicContact CE3-CD1 4.13Å; W369-I375 HydrophobicContact CG-CD1 3.54Å; W369-I375 HydrophobicContact CG-CG1 4.37Å; L373-I375 HydrophobicContact CD2-CG1 4.26Å; L373-I375 HydrophobicContact CG-CG1 4.48Å; L373-I375 PolarHBondContact O-N 3.31Å; L373-I375 VanDerWaalsContact O-N 3.16Å
376F91.6Very high87.3Confident0 Ų030.3 Ų30.30%016%0.164CC..EExtended strand (participates in β ladder)trans-127.4146.7172.3-57.9-99.5000109.8F30 L31 F81 T169 F171 S366 I367F30-F376 HydrophobicContact CD1-CD1 4.33Å; F30-F376 HydrophobicContact CE1-CB 3.95Å; F30-F376 AromaticContact CE1-CD1 3.32Å; F30-F376 HydrophobicContact CE1-CD1 3.32Å; F30-F376 HydrophobicContact CE1-CE1 4Å; F30-F376 AromaticContact CE1-CG 3.9Å; F30-F376 HydrophobicContact CE1-CG 3.9Å; F30-F376 HydrophobicContact CE2-CB 3.64Å; F30-F376 HydrophobicContact CE2-CG 4.44Å; F30-F376 HydrophobicContact CZ-CB 3.2Å; F30-F376 AromaticContact CZ-CD1 3.49Å; F30-F376 HydrophobicContact CZ-CD1 3.49Å; F30-F376 VanDerWaalsContact CZ-CD1 3.49Å; F30-F376 HydrophobicContact CZ-CE1 4.44Å; F30-F376 AromaticContact CZ-CG 3.53Å; F30-F376 HydrophobicContact CZ-CG 3.53Å; L31-F376 WeakPolarHBondContact O-CA 3.29Å; F81-F376 HydrophobicContact CE2-CE2 4.49Å; F81-F376 AromaticContact CZ-CE2 3.75Å; F81-F376 HydrophobicContact CZ-CE2 3.75Å; F81-F376 HydrophobicContact CZ-CZ 4.2Å; T169-F376 HydrophobicContact CG2-CE1 4.39Å; T169-F376 HydrophobicContact CG2-CZ 4.27Å; T169-F376 WeakPolarHBondContact OG1-CE1 3.45Å; F171-F376 HydrophobicContact CB-CE1 4.41Å; F171-F376 HydrophobicContact CB-CE2 3.84Å; F171-F376 HydrophobicContact CB-CZ 3.73Å; F171-F376 AromaticContact CD2-CE2 3.87Å; F171-F376 HydrophobicContact CD2-CE2 3.87Å; F171-F376 HydrophobicContact CG-CE2 4.14Å; S366-F376 CarbonylContact C-O 3.52Å; S366-F376 WeakPolarHBondContact CA-O 3.46Å; S366-F376 WeakPolarHBondContact CB-O 3.09Å; S366-F376 PolarHBondContact OG-O 3Å; I367-F376 HydrophobicContact CB-CB 4.09Å; I367-F376 HydrophobicContact CB-CD2 3.81Å; I367-F376 HydrophobicContact CB-CG 4.39Å; I367-F376 HydrophobicContact CG1-CB 4.18Å; I367-F376 HydrophobicContact CG1-CD2 4.1Å; I367-F376 HydrophobicContact CG1-CG 4.44Å; I367-F376 HydrophobicContact CG2-CD2 4.2Å; I367-F376 PolarHBondContact N-O 3.12Å; I367-F376 PolarHBondContact O-N 3.13Å
377L91.6Very high86.9Confident1 Ų131.9 Ų31.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-147.1155.6175.557.475.4000110.4Y15 L31 P33 I256 F364 V365Y15-L377 HydrophobicContact CD1-CD1 4.16Å; Y15-L377 HydrophobicContact CD2-CD1 3.08Å; Y15-L377 HydrophobicContact CD2-CG 4.45Å; Y15-L377 HydrophobicContact CE2-CD1 3.52Å; Y15-L377 HydrophobicContact CG-CD1 3.42Å; Y15-L377 VanDerWaalsContact CG-CD1 3.42Å; Y15-L377 HydrophobicContact CG-CD2 4.24Å; Y15-L377 HydrophobicContact CG-CG 4.47Å; L31-L377 HydrophobicContact CD1-CD1 3.65Å; L31-L377 HydrophobicContact CD1-CG 4.21Å; L31-L377 HydrophobicContact CD2-CD1 4.45Å; L31-L377 HydrophobicContact CG-CD1 3.91Å; L31-L377 PolarHBondContact N-O 2.81Å; L31-L377 PolarHBondContact O-N 3.39Å; P33-L377 HydrophobicContact CG-CD1 4.24Å; P33-L377 HydrophobicContact CG-CD2 3.43Å; P33-L377 VanDerWaalsContact CG-CD2 3.43Å; P33-L377 HydrophobicContact CG-CG 3.56Å; I256-L377 HydrophobicContact CD1-CB 4.14Å; I256-L377 HydrophobicContact CD1-CD2 4.02Å; F364-L377 HydrophobicContact CE2-CB 4.38Å; F364-L377 HydrophobicContact CZ-CB 3.99Å; V365-L377 CarbonylContact O-C 3.56Å
378G91.3Very high86.6Confident0 Ų033.5 Ų33.50%018%0.182CC..EExtended strand (participates in β ladder)trans173.4-179.6-174.100000113.6T29 F364 V365T29-G378 CarbonylContact O-C 3.56Å; T29-G378 WeakPolarHBondContact O-CA 3.45Å; F364-G378 WeakPolarHBondContact CD2-O 3.38Å; F364-G378 WeakPolarHBondContact CE2-O 3.37Å; F364-G378 WeakPolarHBondContact CG-O 3.19Å; V365-G378 PolarHBondContact N-O 2.88Å; V365-G378 PolarHBondContact O-N 3.32Å; V365-G378 VanDerWaalsContact O-O 3.08Å
379H92.6Very high86.2Confident0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-140.6146.8173.455.3-86.4000110.1Y15 E27 N28 T29 L243 L247 F363Y15-H379 AromaticContact CZ-ND1 3.96Å; Y15-H379 PolarHBondContact OH-ND1 2.74Å; E27-H379 PolarHBondContact O-CD2 3.01Å; E27-H379 PolarHBondContact O-NE2 2.79Å; N28-H379 WeakPolarHBondContact CA-O 3.22Å; T29-H379 WeakPolarHBondContact CB-CE1 3.33Å; T29-H379 PolarHBondContact N-O 3.44Å; T29-H379 PolarHBondContact O-N 3.25Å; T29-H379 PolarHBondContact OG1-CE1 2.87Å; T29-H379 PolarHBondContact OG1-NE2 2.85Å; L243-H379 HydrophobicContact CD1-CB 4.15Å; L243-H379 HydrophobicContact CD2-CB 3.94Å; L247-H379 HydrophobicContact CD1-CB 4.48Å; F363-H379 CarbonylContact O-C 3.52Å; F363-H379 VanDerWaalsContact O-CA 3.32Å; F363-H379 WeakPolarHBondContact O-CA 3.35Å
380V92.2Very high85.9Confident0 Ų036.7 Ų36.70%020%0.2CC..EExtended strand (participates in β ladder)trans-110.8117.2-179.7-178.90000107.1F276 L278 S362 F363 V365 P383F276-V380 HydrophobicContact CE2-CG2 4.08Å; F276-V380 HydrophobicContact CZ-CG2 4.19Å; L278-V380 HydrophobicContact CD1-CG2 3.67Å; L278-V380 HydrophobicContact CD2-CG2 3.87Å; L278-V380 HydrophobicContact CG-CG2 4.17Å; S362-V380 CarbonylContact C-O 3.48Å; S362-V380 WeakPolarHBondContact CA-O 3.39Å; S362-V380 WeakPolarHBondContact CB-O 3.33Å; F363-V380 HydrophobicContact CD1-CB 4.01Å; F363-V380 HydrophobicContact CD1-CG1 4.43Å; F363-V380 HydrophobicContact CD2-CB 4.47Å; F363-V380 HydrophobicContact CD2-CG2 4.44Å; F363-V380 HydrophobicContact CE1-CB 3.59Å; F363-V380 HydrophobicContact CE1-CG1 3.71Å; F363-V380 HydrophobicContact CE1-CG2 4.09Å; F363-V380 HydrophobicContact CE2-CB 4.09Å; F363-V380 HydrophobicContact CE2-CG2 3.77Å; F363-V380 HydrophobicContact CG-CB 4.45Å; F363-V380 HydrophobicContact CZ-CB 3.65Å; F363-V380 HydrophobicContact CZ-CG1 3.96Å; F363-V380 HydrophobicContact CZ-CG2 3.58Å; F363-V380 PolarHBondContact N-O 2.86Å; F363-V380 PolarHBondContact O-N 2.73Å; V365-V380 HydrophobicContact CG1-CG2 4.13Å; V380-P383 HydrophobicContact CG1-CB 4.09Å
381T92Very high85.7Confident11 Ų1134.7 Ų34.77%0.06719%0.189CC..SBendtrans-100.2-32.1173.660.80000111.8L26 N28 F189 L192 L243 S362L26-T381 HydrophobicContact CB-CG2 3.95Å; N28-T381 PolarHBondContact N-OG1 2.99Å; N28-T381 PolarHBondContact OD1-N 3.04Å; N28-T381 PolarHBondContact OD1-OG1 3.11Å; F189-T381 WeakPolarHBondContact CE1-O 3.34Å; L192-T381 HydrophobicContact CD1-CG2 3.79Å; L243-T381 HydrophobicContact CD2-CG2 4.02Å; S362-T381 WeakPolarHBondContact OG-CA 3.12Å; S362-T381 PolarHBondContact OG-O 3.05Å
382T87.7Confident85.6Confident42 Ų4231.6 Ų31.626%0.25817%0.173SC..SBendtrans-143.7103.9176.354.60000109.5N28 K191 M197 V384N28-T382 PolarHBondContact ND2-O 2.61Å; N28-T382 PolarHBondContact OD1-N 3.16Å; N28-T382 PolarHBondContact OD1-O 2.88Å; K191-T382 HydrophobicContact CD-CG2 3.48Å; K191-T382 VanDerWaalsContact CD-CG2 3.48Å; K191-T382 HydrophobicContact CG-CG2 3.9Å; M197-T382 HydrophobicContact SD-CG2 4.16Å; T382-V384 PolarHBondContact O-N 2.9Å
383P83.2Confident85.6Confident5 Ų525.4 Ų25.43%0.03214%0.142CC..  trans-66.3123.7175.328.6-34.5000109.5F189 M197 V199 P274 F276 V380F189-P383 HydrophobicContact CD1-CG 4.27Å; F189-P383 HydrophobicContact CD2-CG 3.89Å; F189-P383 VanDerWaalsContact CE1-CD 3.47Å; F189-P383 HydrophobicContact CE1-CG 4.35Å; F189-P383 HydrophobicContact CE2-CG 3.96Å; F189-P383 HydrophobicContact CG-CG 4.05Å; F189-P383 HydrophobicContact CZ-CG 4.18Å; M197-P383 WeakPolarHBondContact CE-O 3.36Å; V199-P383 HydrophobicContact CB-CG 4.25Å; V199-P383 HydrophobicContact CG1-CG 3.55Å; P274-P383 HydrophobicContact CB-CB 4.12Å; P274-P383 HydrophobicContact CB-CG 4.19Å; F276-P383 HydrophobicContact CB-CB 3.69Å; F276-P383 HydrophobicContact CD1-CB 4.36Å; F276-P383 HydrophobicContact CG-CB 4.26Å; V380-P383 HydrophobicContact CG1-CB 4.09Å
384V80.6Confident85.3Confident56 Ų5626.8 Ų26.834%0.33915%0.15SC..  trans-115.3134.2176.2-174.90000107.9K277 T382 D386K277-V384 PolarHBondContact N-O 2.86Å; T382-V384 PolarHBondContact O-N 2.9Å; V384-D386 HydrophobicContact CG1-CB 4.14Å
385N67.4Low84.9Confident69 Ų6928.8 Ų28.837%0.36916%0.161SC..  trans-116.967.5179.9-17222.5000109.3
386D57.9Low84.4Confident160 Ų16031.3 Ų31.386%0.85618%0.175SC*.  trans-111.40176.9-74.2-17.6000112K279 V384K279-D386 VanDerWaalsContact CE-O 3.25Å; K279-D386 WeakPolarHBondContact CE-O 3.46Å; K279-D386 VanDerWaalsContact NZ-C 3.28Å; K279-D386 PolarHBondContact NZ-O 2.73Å; K279-D386 PolarHBondContact NZ-OXT 3.25Å; V384-D386 HydrophobicContact CG1-CB 4.14Å

Retrieved 386 of 386 residues in 850.6 ms (Link to these results)

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