A0A077Z6E9_TRITR Loading...

Histone binding protein Caf1

AlphaFold DB , UniProt , Accession A0A077Z6E9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 404 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
1M68.8Low85.2Confident217 Ų217118.2 Ų118.2100%1.06956%0.557SS**  0-52.60-78.6-179.2-173.400111F3 Y4 K5M1-F3 PolarHBondContact O-N 3.13Å; M1-Y4 PolarHBondContact O-N 2.94Å; M1-Y4 VanDerWaalsContact O-N 3.11Å; M1-K5 PolarHBondContact O-N 2.92Å
2A80Confident85.9Confident68 Ų68116.8 Ų116.856%0.56255%0.552SS**Hα-helixtrans-51.6-55176.100000113.6Y4 K5 E6A2-Y4 PolarHBondContact O-N 3.46Å; A2-Y4 VanDerWaalsContact O-N 3.13Å; A2-K5 WeakPolarHBondContact O-CA 3.12Å; A2-K5 VanDerWaalsContact O-CB 3.3Å; A2-K5 WeakPolarHBondContact O-CB 3.37Å; A2-K5 PolarHBondContact O-N 3.11Å; A2-E6 PolarHBondContact O-N 3.04Å
3F82.8Confident86.4Confident142 Ų142109 Ų10962%0.62352%0.517SS*.Hα-helixtrans-54.3-36.2176.3-178.2-106.2000114.4M1 L7M1-F3 PolarHBondContact O-N 3.13Å; F3-L7 HydrophobicContact CD1-CD1 3.85Å; F3-L7 HydrophobicContact CE1-CD1 3.32Å; F3-L7 HydrophobicContact CE1-CG 4.17Å; F3-L7 HydrophobicContact CE2-CD1 4.4Å; F3-L7 HydrophobicContact CE2-CG 4.44Å; F3-L7 HydrophobicContact CZ-CD1 3.65Å; F3-L7 HydrophobicContact CZ-CD2 4.41Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 WeakPolarHBondContact O-CG 3.34Å; F3-L7 PolarHBondContact O-N 3.27Å; F3-L7 VanDerWaalsContact O-N 3.11Å
4Y85.2Confident86.8Confident166 Ų166105.9 Ų105.965%0.65151%0.505SS*.Hα-helixtrans-72.1-36.6177.1-174.6-95.2000111.4M1 A2 V8M1-Y4 PolarHBondContact O-N 2.94Å; M1-Y4 VanDerWaalsContact O-N 3.11Å; A2-Y4 PolarHBondContact O-N 3.46Å; A2-Y4 VanDerWaalsContact O-N 3.13Å; Y4-V8 HydrophobicContact CD1-CG2 4.08Å; Y4-V8 HydrophobicContact CE1-CG2 3.69Å; Y4-V8 VanDerWaalsContact O-CG2 3.27Å; Y4-V8 WeakPolarHBondContact O-CG2 3.3Å; Y4-V8 PolarHBondContact O-N 3.44Å; Y4-V8 VanDerWaalsContact O-N 3.07Å
5K85Confident87.3Confident129 Ų129107 Ų10756%0.56151%0.509SS*.Hα-helixtrans-63.7-47.6175.4-165.1-170.4-178.7-113.80110.7M1 A2 L7 V8 E9M1-K5 PolarHBondContact O-N 2.92Å; A2-K5 WeakPolarHBondContact O-CA 3.12Å; A2-K5 VanDerWaalsContact O-CB 3.3Å; A2-K5 WeakPolarHBondContact O-CB 3.37Å; A2-K5 PolarHBondContact O-N 3.11Å; K5-L7 PolarHBondContact O-N 3.03Å; K5-V8 PolarHBondContact O-N 3.11Å; K5-V8 VanDerWaalsContact O-N 3.15Å; K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 IonicContact NZ-OE1 3.71Å; K5-E9 PolarHBondContact NZ-OE1 3.18Å; K5-E9 WeakPolarHBondContact O-CG 3.44Å; K5-E9 PolarHBondContact O-N 2.88Å
6E84.2Confident87.7Confident111 Ų111104.8 Ų104.852%0.51950%0.498SS..Hα-helixtrans-57.2-47176.2-72.2164.1-16700111.7A2 V8 E9 E10A2-E6 PolarHBondContact O-N 3.04Å; E6-V8 VanDerWaalsContact C-N 3.31Å; E6-V8 PolarHBondContact O-N 3.19Å; E6-E9 PolarHBondContact O-N 3.15Å; E6-E10 WeakPolarHBondContact O-CB 3.27Å; E6-E10 PolarHBondContact O-N 3.07Å
7L87.3Confident88Confident53 Ų53100.7 Ų100.728%0.27748%0.477SS..Hα-helixtrans-63.6-34.3177.1-76.8175.8000113.7F3 K5 R11F3-L7 HydrophobicContact CD1-CD1 3.85Å; F3-L7 HydrophobicContact CE1-CD1 3.32Å; F3-L7 HydrophobicContact CE1-CG 4.17Å; F3-L7 HydrophobicContact CE2-CD1 4.4Å; F3-L7 HydrophobicContact CE2-CG 4.44Å; F3-L7 HydrophobicContact CZ-CD1 3.65Å; F3-L7 HydrophobicContact CZ-CD2 4.41Å; F3-L7 HydrophobicContact CZ-CG 4.11Å; F3-L7 WeakPolarHBondContact O-CG 3.34Å; F3-L7 PolarHBondContact O-N 3.27Å; F3-L7 VanDerWaalsContact O-N 3.11Å; K5-L7 PolarHBondContact O-N 3.03Å; L7-R11 VanDerWaalsContact O-CG 3.26Å; L7-R11 WeakPolarHBondContact O-CG 3.26Å; L7-R11 PolarHBondContact O-N 3.37Å
8V91.8Very high88.2Confident54 Ų54102.3 Ų102.333%0.32748%0.482SS..Hα-helixtrans-71.5-45.2176.6169.20000109.9Y4 K5 E6 R11 M12Y4-V8 HydrophobicContact CD1-CG2 4.08Å; Y4-V8 HydrophobicContact CE1-CG2 3.69Å; Y4-V8 VanDerWaalsContact O-CG2 3.27Å; Y4-V8 WeakPolarHBondContact O-CG2 3.3Å; Y4-V8 PolarHBondContact O-N 3.44Å; Y4-V8 VanDerWaalsContact O-N 3.07Å; K5-V8 PolarHBondContact O-N 3.11Å; K5-V8 VanDerWaalsContact O-N 3.15Å; E6-V8 VanDerWaalsContact C-N 3.31Å; E6-V8 PolarHBondContact O-N 3.19Å; V8-R11 PolarHBondContact O-N 3.35Å; V8-M12 HydrophobicContact CG1-SD 4.18Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.42Å
9E89.3Confident88.4Confident85 Ų85101.4 Ų101.440%0.39748%0.48SS..Hα-helixtrans-57.5-51175.4-73.5169.4-179.600110.4K5 E6 R11 M12 V13K5-E9 WeakPolarHBondContact CE-OE1 3.42Å; K5-E9 IonicContact NZ-OE1 3.71Å; K5-E9 PolarHBondContact NZ-OE1 3.18Å; K5-E9 WeakPolarHBondContact O-CG 3.44Å; K5-E9 PolarHBondContact O-N 2.88Å; E6-E9 PolarHBondContact O-N 3.15Å; E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 3.38Å; E9-M12 WeakPolarHBondContact O-CB 3.44Å; E9-M12 PolarHBondContact O-N 2.66Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.37Å
10E90.3Very high88.6Confident111 Ų11197.1 Ų97.152%0.51946%0.458SS..Hα-helixtrans-56.2-40.5177.8-171.8-172.5175.400112.6E6 V13 N14E6-E10 WeakPolarHBondContact O-CB 3.27Å; E6-E10 PolarHBondContact O-N 3.07Å; E10-V13 PolarHBondContact O-N 3.06Å; E10-N14 WeakPolarHBondContact O-CB 3.36Å; E10-N14 PolarHBondContact O-N 3.06Å; E10-N14 PolarHBondContact O-ND2 2.91Å
11R92.3Very high88.7Confident164 Ų16495.2 Ų95.262%0.61945%0.449SS*.Hα-helixtrans-65.5-43.4175.9-76.3174.8-172.7-172.22.2112.1L7 V8 E9 V13 N14 E15L7-R11 VanDerWaalsContact O-CG 3.26Å; L7-R11 WeakPolarHBondContact O-CG 3.26Å; L7-R11 PolarHBondContact O-N 3.37Å; V8-R11 PolarHBondContact O-N 3.35Å; E9-R11 VanDerWaalsContact C-N 3.29Å; E9-R11 PolarHBondContact O-N 3.38Å; R11-V13 VanDerWaalsContact C-N 3.35Å; R11-N14 PolarHBondContact O-N 3.47Å; R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.85Å
12M93.3Very high89.7Confident102 Ų10292 Ų9250%0.50243%0.425SS..Hα-helixtrans-61.7-44.3176.9-68.4176.363.800110.9V8 E9 N14 E15 E16V8-M12 HydrophobicContact CG1-SD 4.18Å; V8-M12 WeakPolarHBondContact O-CG 3.38Å; V8-M12 PolarHBondContact O-N 3.42Å; E9-M12 WeakPolarHBondContact O-CB 3.44Å; E9-M12 PolarHBondContact O-N 2.66Å; M12-N14 VanDerWaalsContact C-N 3.31Å; M12-N14 PolarHBondContact O-N 3.31Å; M12-E15 PolarHBondContact O-N 3.28Å; M12-E16 WeakPolarHBondContact O-CG 3.09Å; M12-E16 PolarHBondContact O-N 2.93Å
13V93Very high90.1Very high15 Ų1593.7 Ų93.79%0.09142%0.421CS..Hα-helixtrans-55.6-48.9175.1-170.90000111E9 E10 R11 E15 E16 Y17 R326 T360E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.37Å; E10-V13 PolarHBondContact O-N 3.06Å; R11-V13 VanDerWaalsContact C-N 3.35Å; V13-E15 VanDerWaalsContact C-N 3.29Å; V13-E15 PolarHBondContact O-N 2.92Å; V13-E16 PolarHBondContact O-N 3.4Å; V13-Y17 VanDerWaalsContact O-CB 3.28Å; V13-Y17 WeakPolarHBondContact O-CB 3.48Å; V13-Y17 PolarHBondContact O-N 3.29Å; V13-R326 VanDerWaalsContact CG2-CZ 3.43Å; V13-T360 HydrophobicContact CG1-CG2 3.97Å
14N92.5Very high90.2Very high65 Ų6587.1 Ų87.135%0.34839%0.392SS..Hα-helixtrans-66.2-32.7-178-77.9-48.6000112.4E10 R11 M12 K18E10-N14 WeakPolarHBondContact O-CB 3.36Å; E10-N14 PolarHBondContact O-N 3.06Å; E10-N14 PolarHBondContact O-ND2 2.91Å; R11-N14 PolarHBondContact O-N 3.47Å; M12-N14 VanDerWaalsContact C-N 3.31Å; M12-N14 PolarHBondContact O-N 3.31Å; N14-K18 WeakPolarHBondContact O-CB 3.2Å; N14-K18 WeakPolarHBondContact O-CD 3.36Å; N14-K18 WeakPolarHBondContact O-CG 3.48Å; N14-K18 PolarHBondContact O-N 2.96Å; N14-K18 VanDerWaalsContact O-N 3.1Å
15E94.2Very high90.1Very high123 Ų12381.3 Ų81.358%0.57537%0.374SS*.Hα-helixtrans-70.9-46.6174.7-75.1178.5-177.200111.9R11 M12 V13 Y17 K18 I19R11-E15 WeakPolarHBondContact O-CG 3.39Å; R11-E15 PolarHBondContact O-N 2.85Å; M12-E15 PolarHBondContact O-N 3.28Å; V13-E15 VanDerWaalsContact C-N 3.29Å; V13-E15 PolarHBondContact O-N 2.92Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 3.22Å; E15-K18 PolarHBondContact O-N 3.43Å; E15-I19 WeakPolarHBondContact O-CG1 3.49Å; E15-I19 PolarHBondContact O-N 3Å
16E93.2Very high90.2Very high71 Ų7182.6 Ų82.633%0.33238%0.38SS..Hα-helixtrans-55.4-47.9172.7-72.8172.1-172.700110.9M12 V13 K18 I19 W20 R326 R327M12-E16 WeakPolarHBondContact O-CG 3.09Å; M12-E16 PolarHBondContact O-N 2.93Å; V13-E16 PolarHBondContact O-N 3.4Å; E16-K18 VanDerWaalsContact C-N 3.32Å; E16-K18 PolarHBondContact O-N 3.1Å; E16-I19 WeakPolarHBondContact O-CB 3.37Å; E16-I19 PolarHBondContact O-N 3.08Å; E16-I19 VanDerWaalsContact O-N 3.09Å; E16-W20 WeakPolarHBondContact O-CB 3.43Å; E16-W20 PolarHBondContact O-N 3.05Å; E16-R326 IonicContact OE2-NH2 2.66Å; E16-R326 PolarHBondContact OE2-NH2 3.04Å; E16-R327 IonicContact OE2-CZ 3.05Å; E16-R327 IonicContact OE2-NH2 3.92Å; E16-R327 PolarHBondContact OE2-NH2 3.24Å
17Y92.5Very high90.4Very high36 Ų3679.1 Ų79.114%0.14136%0.364CS..Hα-helixtrans-62.5-37.7179.7-175.3-118.7000112.5V13 E15 W20 K21 G358 T360V13-Y17 VanDerWaalsContact O-CB 3.28Å; V13-Y17 WeakPolarHBondContact O-CB 3.48Å; V13-Y17 PolarHBondContact O-N 3.29Å; E15-Y17 VanDerWaalsContact C-N 3.31Å; E15-Y17 PolarHBondContact O-N 3.22Å; Y17-W20 AromaticContact CD2-CE3 3.69Å; Y17-W20 HydrophobicContact CD2-CE3 3.69Å; Y17-W20 HydrophobicContact CD2-CZ3 4.14Å; Y17-W20 AromaticContact CE2-CE3 3.54Å; Y17-W20 HydrophobicContact CE2-CE3 3.54Å; Y17-W20 AromaticContact CE2-CZ3 3.49Å; Y17-W20 HydrophobicContact CE2-CZ3 3.49Å; Y17-W20 VanDerWaalsContact CE2-CZ3 3.49Å; Y17-W20 PolarHBondContact O-N 3.4Å; Y17-K21 HydrophobicContact CD1-CD 4.27Å; Y17-K21 HydrophobicContact CE1-CD 3.86Å; Y17-K21 HydrophobicContact CE1-CG 4.39Å; Y17-K21 VanDerWaalsContact CE1-NZ 3.32Å; Y17-K21 HydrophobicContact CE2-CG 4.46Å; Y17-K21 WeakPolarHBondContact O-CB 3.4Å; Y17-K21 WeakPolarHBondContact O-CG 3.46Å; Y17-K21 PolarHBondContact O-N 3.48Å; Y17-K21 WeakPolarHBondContact OH-CE 3.29Å; Y17-G358 WeakPolarHBondContact CE2-O 3.48Å; Y17-T360 HydrophobicContact CD1-CG2 4Å; Y17-T360 HydrophobicContact CD2-CG2 3.89Å; Y17-T360 HydrophobicContact CE1-CG2 4.43Å; Y17-T360 HydrophobicContact CE2-CG2 4.38Å; Y17-T360 HydrophobicContact CG-CG2 3.68Å
18K92.3Very high90.5Very high129 Ų12976.7 Ų76.756%0.56135%0.351SS*.Hα-helixtrans-68.1-33.1173.5-76.2170.3-174.7177.40113N14 E15 E16 R22N14-K18 WeakPolarHBondContact O-CB 3.2Å; N14-K18 WeakPolarHBondContact O-CD 3.36Å; N14-K18 WeakPolarHBondContact O-CG 3.48Å; N14-K18 PolarHBondContact O-N 2.96Å; N14-K18 VanDerWaalsContact O-N 3.1Å; E15-K18 PolarHBondContact O-N 3.43Å; E16-K18 VanDerWaalsContact C-N 3.32Å; E16-K18 PolarHBondContact O-N 3.1Å; K18-R22 WeakPolarHBondContact O-CG 3.48Å; K18-R22 PolarHBondContact O-N 2.83Å; K18-R22 PolarHBondContact O-NE 3.05Å; K18-R22 VanDerWaalsContact O-NE 3.08Å
19I91.6Very high90.4Very high86 Ų8675.8 Ų75.844%0.44134%0.344SS..Hα-helixtrans-69.2-50.2173.6-66.5163.5000108.9E15 E16 K21 R22 H23E15-I19 WeakPolarHBondContact O-CG1 3.49Å; E15-I19 PolarHBondContact O-N 3Å; E16-I19 WeakPolarHBondContact O-CB 3.37Å; E16-I19 PolarHBondContact O-N 3.08Å; E16-I19 VanDerWaalsContact O-N 3.09Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 2.61Å; I19-R22 VanDerWaalsContact CG1-NH2 3.31Å; I19-R22 WeakPolarHBondContact O-CB 3.36Å; I19-R22 PolarHBondContact O-N 3.41Å; I19-H23 PolarHBondContact O-N 3.16Å
20W92.6Very high90.3Very high14 Ų1471.9 Ų71.95%0.05333%0.326CS..Hα-helixtrans-54.3-47.8177.3172.880.1000112.3E16 Y17 R22 H23 L24 M27 Y28 F31 A357E16-W20 WeakPolarHBondContact O-CB 3.43Å; E16-W20 PolarHBondContact O-N 3.05Å; Y17-W20 AromaticContact CD2-CE3 3.69Å; Y17-W20 HydrophobicContact CD2-CE3 3.69Å; Y17-W20 HydrophobicContact CD2-CZ3 4.14Å; Y17-W20 AromaticContact CE2-CE3 3.54Å; Y17-W20 HydrophobicContact CE2-CE3 3.54Å; Y17-W20 AromaticContact CE2-CZ3 3.49Å; Y17-W20 HydrophobicContact CE2-CZ3 3.49Å; Y17-W20 VanDerWaalsContact CE2-CZ3 3.49Å; Y17-W20 PolarHBondContact O-N 3.4Å; W20-R22 PolarHBondContact O-N 2.96Å; W20-H23 PolarHBondContact O-N 2.78Å; W20-L24 HydrophobicContact CH2-CD1 3.81Å; W20-L24 HydrophobicContact CZ2-CD1 4.36Å; W20-L24 HydrophobicContact CZ3-CD1 4.25Å; W20-L24 PolarHBondContact O-N 3.13Å; W20-M27 HydrophobicContact CG-CE 4.35Å; W20-Y28 AromaticContact CE2-CE2 3.8Å; W20-Y28 HydrophobicContact CZ2-CD2 4.44Å; W20-Y28 AromaticContact CZ2-CE2 3.52Å; W20-Y28 HydrophobicContact CZ2-CE2 3.52Å; W20-Y28 AromaticContact CZ2-CZ 3.98Å; W20-Y28 AromaticContact NE1-CE2 3.59Å; W20-Y28 AromaticContact NE1-CZ 3.84Å; W20-Y28 PolarHBondContact NE1-OH 3.26Å; W20-Y28 VanDerWaalsContact NE1-OH 3.15Å; W20-F31 HydrophobicContact CH2-CD2 4.32Å; W20-F31 AromaticContact CH2-CE1 3.95Å; W20-F31 HydrophobicContact CH2-CE1 3.95Å; W20-F31 AromaticContact CH2-CE2 3.66Å; W20-F31 HydrophobicContact CH2-CE2 3.66Å; W20-F31 AromaticContact CH2-CZ 3.44Å; W20-F31 HydrophobicContact CH2-CZ 3.44Å; W20-F31 VanDerWaalsContact CH2-CZ 3.44Å; W20-F31 HydrophobicContact CZ2-CD2 4.35Å; W20-F31 AromaticContact CZ2-CE2 3.79Å; W20-F31 HydrophobicContact CZ2-CE2 3.79Å; W20-F31 HydrophobicContact CZ2-CZ 4.07Å; W20-F31 HydrophobicContact CZ3-CZ 4.48Å; W20-A357 HydrophobicContact CG-CB 4.4Å
21K89.9Confident90.3Very high59 Ų5966.6 Ų66.626%0.25730%0.301SS..Hα-helixtrans-55.2-36.2176.1-86.7-174.2166174.50113.3Y17 I19 H23 L24Y17-K21 HydrophobicContact CD1-CD 4.27Å; Y17-K21 HydrophobicContact CE1-CD 3.86Å; Y17-K21 HydrophobicContact CE1-CG 4.39Å; Y17-K21 VanDerWaalsContact CE1-NZ 3.32Å; Y17-K21 HydrophobicContact CE2-CG 4.46Å; Y17-K21 WeakPolarHBondContact O-CB 3.4Å; Y17-K21 WeakPolarHBondContact O-CG 3.46Å; Y17-K21 PolarHBondContact O-N 3.48Å; Y17-K21 WeakPolarHBondContact OH-CE 3.29Å; I19-K21 VanDerWaalsContact C-N 3.35Å; I19-K21 PolarHBondContact O-N 2.61Å; K21-H23 PolarHBondContact O-N 3.37Å; K21-L24 WeakPolarHBondContact O-CB 3.35Å; K21-L24 PolarHBondContact O-N 3.09Å
22R89.7Confident90.3Very high150 Ų15059 Ų5957%0.56627%0.273SS*.Hα-helixtrans-70.4-22.3178.8-76179.9-83.8169.9-6.5112.9K18 I19 W20 M90K18-R22 WeakPolarHBondContact O-CG 3.48Å; K18-R22 PolarHBondContact O-N 2.83Å; K18-R22 PolarHBondContact O-NE 3.05Å; K18-R22 VanDerWaalsContact O-NE 3.08Å; I19-R22 VanDerWaalsContact CG1-NH2 3.31Å; I19-R22 WeakPolarHBondContact O-CB 3.36Å; I19-R22 PolarHBondContact O-N 3.41Å; W20-R22 PolarHBondContact O-N 2.96Å; R22-M90 HydrophobicContact CG-CE 4.46Å
23H88.6Confident90.2Very high102 Ų10255 Ų5547%0.47225%0.254SS..Hα-helixtrans-100.9-2.8-178.1-69.8-155.4000112.4I19 W20 K21 T25 F26 M27I19-H23 PolarHBondContact O-N 3.16Å; W20-H23 PolarHBondContact O-N 2.78Å; K21-H23 PolarHBondContact O-N 3.37Å; H23-T25 VanDerWaalsContact C-N 3.28Å; H23-T25 PolarHBondContact O-N 2.84Å; H23-F26 PolarHBondContact O-N 3.46Å; H23-M27 HydrophobicContact CB-CE 3.66Å; H23-M27 HydrophobicContact CB-SD 4.42Å
24L86.1Confident90.3Very high4 Ų457 Ų572%0.02126%0.263CS..Hα-helixtrans-50.6-44.7-172.7-172.3159.3000112.7W20 K21 F26 M27 Y28 F31 F98W20-L24 HydrophobicContact CH2-CD1 3.81Å; W20-L24 HydrophobicContact CZ2-CD1 4.36Å; W20-L24 HydrophobicContact CZ3-CD1 4.25Å; W20-L24 PolarHBondContact O-N 3.13Å; K21-L24 WeakPolarHBondContact O-CB 3.35Å; K21-L24 PolarHBondContact O-N 3.09Å; L24-F26 PolarHBondContact O-N 3.03Å; L24-F26 VanDerWaalsContact O-N 3.16Å; L24-M27 PolarHBondContact O-N 3.36Å; L24-M27 VanDerWaalsContact O-N 3.15Å; L24-Y28 HydrophobicContact CD2-CD2 4.43Å; L24-Y28 HydrophobicContact CG-CD2 3.95Å; L24-Y28 HydrophobicContact CG-CE2 4.49Å; L24-Y28 WeakPolarHBondContact O-CD2 3.45Å; L24-Y28 PolarHBondContact O-N 3.41Å; L24-Y28 VanDerWaalsContact O-N 3.15Å; L24-F31 HydrophobicContact CD1-CB 4.49Å; L24-F31 HydrophobicContact CD1-CD1 3.96Å; L24-F31 HydrophobicContact CD1-CE1 4.4Å; L24-F31 HydrophobicContact CD1-CG 4.09Å; L24-F31 HydrophobicContact CD2-CB 4.07Å; L24-F31 HydrophobicContact CG-CG 4.48Å; L24-F98 HydrophobicContact CD1-CB 4.37Å; L24-F98 HydrophobicContact CD1-CD1 4.13Å; L24-F98 HydrophobicContact CD1-CD2 4.4Å; L24-F98 HydrophobicContact CD1-CG 4.03Å
25T82.1Confident90.4Very high44 Ų4456.8 Ų56.827%0.2727%0.266SS..Hα-helixtrans-60.1-23.9179.746.60000115.2H23 Y88H23-T25 VanDerWaalsContact C-N 3.28Å; H23-T25 PolarHBondContact O-N 2.84Å; T25-Y88 HydrophobicContact CG2-CE1 4.38Å; T25-Y88 HydrophobicContact CG2-CE2 3.46Å; T25-Y88 VanDerWaalsContact CG2-CE2 3.46Å; T25-Y88 WeakPolarHBondContact CG2-OH 3.45Å
26F87Confident90.4Very high156 Ų15651.9 Ų51.968%0.68424%0.243SC*.Hα-helixtrans-93.3-16.8-178-57.9-77.5000112.4H23 L24H23-F26 PolarHBondContact O-N 3.46Å; L24-F26 PolarHBondContact O-N 3.03Å; L24-F26 VanDerWaalsContact O-N 3.16Å
27M88.2Confident90.5Very high38 Ų3854.9 Ų54.919%0.18726%0.257CS..Hα-helixtrans-106-24.5-172-65.9-175.1-66.600113.2W20 H23 L24 F354 T391W20-M27 HydrophobicContact CG-CE 4.35Å; H23-M27 HydrophobicContact CB-CE 3.66Å; H23-M27 HydrophobicContact CB-SD 4.42Å; L24-M27 PolarHBondContact O-N 3.36Å; L24-M27 VanDerWaalsContact O-N 3.15Å; M27-F354 HydrophobicContact CB-CE2 4.14Å; M27-F354 HydrophobicContact CB-CZ 4.18Å; M27-F354 HydrophobicContact CG-CE2 4.34Å; M27-F354 HydrophobicContact SD-CE2 4.37Å; M27-T391 VanDerWaalsContact C-OG1 3.29Å; M27-T391 PolarHBondContact O-N 3.42Å; M27-T391 PolarHBondContact O-OG1 2.95Å
28Y90.8Very high90.6Very high2 Ų257.1 Ų57.11%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-133.4132-172.4-51.8-77.4000112.6W20 L24 M30 F31 F354 H356 W388 Q389 T391W20-Y28 AromaticContact CE2-CE2 3.8Å; W20-Y28 HydrophobicContact CZ2-CD2 4.44Å; W20-Y28 AromaticContact CZ2-CE2 3.52Å; W20-Y28 HydrophobicContact CZ2-CE2 3.52Å; W20-Y28 AromaticContact CZ2-CZ 3.98Å; W20-Y28 AromaticContact NE1-CE2 3.59Å; W20-Y28 AromaticContact NE1-CZ 3.84Å; W20-Y28 PolarHBondContact NE1-OH 3.26Å; W20-Y28 VanDerWaalsContact NE1-OH 3.15Å; L24-Y28 HydrophobicContact CD2-CD2 4.43Å; L24-Y28 HydrophobicContact CG-CD2 3.95Å; L24-Y28 HydrophobicContact CG-CE2 4.49Å; L24-Y28 WeakPolarHBondContact O-CD2 3.45Å; L24-Y28 PolarHBondContact O-N 3.41Å; L24-Y28 VanDerWaalsContact O-N 3.15Å; Y28-M30 VanDerWaalsContact C-N 3.34Å; Y28-F31 HydrophobicContact CD2-CD2 4.34Å; Y28-F31 HydrophobicContact CG-CD2 4.38Å; Y28-F354 HydrophobicContact CD1-CZ 4.49Å; Y28-F354 AromaticContact CE1-CE1 3.79Å; Y28-F354 HydrophobicContact CE1-CE1 3.79Å; Y28-F354 AromaticContact CE1-CZ 3.64Å; Y28-F354 HydrophobicContact CE1-CZ 3.64Å; Y28-F354 AromaticContact CZ-CZ 3.74Å; Y28-H356 AromaticContact CE1-ND1 3.75Å; Y28-H356 AromaticContact CZ-ND1 3.53Å; Y28-H356 PolarHBondContact OH-ND1 3.11Å; Y28-W388 HydrophobicContact CD1-CB 4.22Å; Y28-W388 HydrophobicContact CD1-CD2 4.33Å; Y28-W388 AromaticContact CD1-CE3 3.71Å; Y28-W388 HydrophobicContact CD1-CE3 3.71Å; Y28-W388 HydrophobicContact CD1-CZ3 4.41Å; Y28-W388 AromaticContact CE1-CD2 3.98Å; Y28-W388 HydrophobicContact CE1-CD2 3.98Å; Y28-W388 AromaticContact CE1-CE3 3.48Å; Y28-W388 HydrophobicContact CE1-CE3 3.48Å; Y28-W388 VanDerWaalsContact CE1-CE3 3.48Å; Y28-W388 HydrophobicContact CE1-CG 4.42Å; Y28-W388 AromaticContact CE1-CZ3 3.93Å; Y28-W388 HydrophobicContact CE1-CZ3 3.93Å; Y28-Q389 WeakPolarHBondContact CA-O 3.4Å; Y28-Q389 WeakPolarHBondContact CB-O 3.28Å; Y28-T391 VanDerWaalsContact C-OG1 3.27Å; Y28-T391 WeakPolarHBondContact CA-OG1 3.37Å; Y28-T391 PolarHBondContact N-OG1 2.92Å
29D88.4Confident90.8Very high35 Ų3551.8 Ų51.819%0.18724%0.244CC..EExtended strand (participates in β ladder)trans-79.1-25.4170.9-62.7-18.8000111.2M79 F83 Q389 T391 E392D29-M79 HydrophobicContact CB-CE 3.61Å; D29-F83 WeakPolarHBondContact O-CE2 3.41Å; D29-Q389 PolarHBondContact N-O 3.25Å; D29-T391 PolarHBondContact N-OG1 2.93Å; D29-T391 WeakPolarHBondContact OD1-CA 3.4Å; D29-T391 WeakPolarHBondContact OD1-CB 3.45Å; D29-T391 WeakPolarHBondContact OD1-CG2 3.33Å; D29-T391 PolarHBondContact OD1-OG1 3.44Å; D29-T391 WeakPolarHBondContact OD2-CA 3.45Å; D29-E392 PolarHBondContact OD2-N 3.24Å
30M87.4Confident91.2Very high3 Ų347.8 Ų47.82%0.01522%0.223CC..EExtended strand (participates in β ladder)trans-143.6137177.2-174.9-165.369.400110.3Y28 I32 L76 P77 M79 M375 V387 W388 Q389Y28-M30 VanDerWaalsContact C-N 3.34Å; M30-I32 HydrophobicContact SD-CD1 4.27Å; M30-L76 HydrophobicContact CE-CD2 4.07Å; M30-L76 HydrophobicContact SD-CD2 3.93Å; M30-P77 HydrophobicContact CG-CG 3.74Å; M30-P77 WeakPolarHBondContact SD-CD 3.44Å; M30-P77 HydrophobicContact SD-CG 3.68Å; M30-M79 HydrophobicContact CB-CE 4.19Å; M30-M375 HydrophobicContact CE-CE 3.48Å; M30-M375 VanDerWaalsContact CE-CE 3.48Å; M30-M375 HydrophobicContact CE-CG 3.9Å; M30-M375 HydrophobicContact CE-SD 3.74Å; M30-M375 HydrophobicContact SD-CE 3.87Å; M30-V387 HydrophobicContact CE-CG1 3.74Å; M30-W388 CarbonylContact O-C 3.54Å; M30-W388 WeakPolarHBondContact O-CA 3.5Å; M30-W388 WeakPolarHBondContact O-CB 3.49Å; M30-Q389 HydrophobicContact CB-CB 4.07Å; M30-Q389 HydrophobicContact CE-CB 4.41Å; M30-Q389 PolarHBondContact O-N 3.49Å
31F90.8Very high91.4Very high0 Ų049.1 Ų49.10%023%0.232CC..EExtended strand (participates in β ladder)trans-147119.9173.4-167.1-88.7000112.2W20 L24 Y28 F98 H356 Q386 W388W20-F31 HydrophobicContact CH2-CD2 4.32Å; W20-F31 AromaticContact CH2-CE1 3.95Å; W20-F31 HydrophobicContact CH2-CE1 3.95Å; W20-F31 AromaticContact CH2-CE2 3.66Å; W20-F31 HydrophobicContact CH2-CE2 3.66Å; W20-F31 AromaticContact CH2-CZ 3.44Å; W20-F31 HydrophobicContact CH2-CZ 3.44Å; W20-F31 VanDerWaalsContact CH2-CZ 3.44Å; W20-F31 HydrophobicContact CZ2-CD2 4.35Å; W20-F31 AromaticContact CZ2-CE2 3.79Å; W20-F31 HydrophobicContact CZ2-CE2 3.79Å; W20-F31 HydrophobicContact CZ2-CZ 4.07Å; W20-F31 HydrophobicContact CZ3-CZ 4.48Å; L24-F31 HydrophobicContact CD1-CB 4.49Å; L24-F31 HydrophobicContact CD1-CD1 3.96Å; L24-F31 HydrophobicContact CD1-CE1 4.4Å; L24-F31 HydrophobicContact CD1-CG 4.09Å; L24-F31 HydrophobicContact CD2-CB 4.07Å; L24-F31 HydrophobicContact CG-CG 4.48Å; Y28-F31 HydrophobicContact CD2-CD2 4.34Å; Y28-F31 HydrophobicContact CG-CD2 4.38Å; F31-F98 HydrophobicContact CD1-CB 4.36Å; F31-F98 AromaticContact CD1-CD2 3.8Å; F31-F98 HydrophobicContact CD1-CD2 3.8Å; F31-F98 HydrophobicContact CD1-CG 4.36Å; F31-F98 HydrophobicContact CE1-CD2 4.06Å; F31-F98 HydrophobicContact CE1-CE2 4.43Å; F31-H356 AromaticContact CE2-CE1 3.99Å; F31-Q386 HydrophobicContact CE2-CB 4.48Å; F31-Q386 HydrophobicContact CZ-CB 4.28Å; F31-Q386 HydrophobicContact CZ-CG 4.13Å; F31-Q386 VanDerWaalsContact CZ-OE1 3.29Å; F31-W388 HydrophobicContact CD2-CB 3.47Å; F31-W388 VanDerWaalsContact CD2-CB 3.47Å; F31-W388 HydrophobicContact CD2-CG 4.2Å; F31-W388 HydrophobicContact CE2-CB 3.92Å; F31-W388 HydrophobicContact CE2-CG 4.2Å; F31-W388 HydrophobicContact CG-CB 4.38Å
32I91.6Very high91.8Very high5 Ų546.3 Ų46.33%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-120.9131.7175.9-58.9165.8000107.6M30 V74 L76 V105 Q386 V387M30-I32 HydrophobicContact SD-CD1 4.27Å; I32-V74 HydrophobicContact CD1-CG1 4.38Å; I32-L76 HydrophobicContact CD1-CD2 4.04Å; I32-V105 HydrophobicContact CG2-CG2 4.16Å; I32-Q386 CarbonylContact O-C 3.55Å; I32-Q386 WeakPolarHBondContact O-CA 3.08Å; I32-V387 HydrophobicContact CB-CB 4.23Å; I32-V387 PolarHBondContact N-O 3.08Å; I32-V387 PolarHBondContact O-N 2.98Å
33T92.1Very high92.3Very high17 Ų1739.2 Ų39.210%0.10419%0.193CC..EExtended strand (participates in β ladder)trans-118.6136.9170.3-172.80000109.4F98T33-F98 HydrophobicContact CG2-CD2 4.19Å; T33-F98 HydrophobicContact CG2-CE2 3.97Å
34H93.9Very high92.7Very high59 Ų5936.2 Ų36.227%0.27318%0.179SC..EExtended strand (participates in β ladder)trans-137.4129.4178.2-177.5-86000110.5V105 L385H34-V105 HydrophobicContact CB-CB 4.15Å; H34-V105 HydrophobicContact CB-CG1 4.37Å; H34-V105 HydrophobicContact CB-CG2 4.13Å; H34-L385 HydrophobicContact CB-CB 4.43Å; H34-L385 PolarHBondContact N-O 2.78Å; H34-L385 PolarHBondContact O-N 3.16Å
35C94.9Very high93.3Very high60 Ų6036.2 Ų36.241%0.40518%0.178SC..EExtended strand (participates in β ladder)trans-85.3113.8175.5-59.60000109.3F95C35-F95 WeakPolarHBondContact SG-CD1 3.38Å
36L95.7Very high94Very high19 Ų1934.2 Ų34.210%0.09917%0.166CC..  trans-75.2153.9170.8-58.8173.4000110W38 I58 L72 V379 N383 L385L36-W38 VanDerWaalsContact C-N 3.27Å; L36-W38 WeakPolarHBondContact CB-O 3.34Å; L36-W38 PolarHBondContact O-N 2.88Å; L36-I58 HydrophobicContact CD1-CD1 4.17Å; L36-I58 HydrophobicContact CD2-CD1 3.79Å; L36-L72 HydrophobicContact CD2-CD1 4.16Å; L36-V379 HydrophobicContact CD1-CG1 4.49Å; L36-N383 HydrophobicContact CB-CB 4.43Å; L36-N383 WeakPolarHBondContact CB-O 3.29Å; L36-N383 PolarHBondContact N-O 2.72Å; L36-N383 WeakPolarHBondContact O-CB 3.36Å; L36-L385 HydrophobicContact CD1-CB 4.14Å; L36-L385 HydrophobicContact CD2-CB 4.37Å; L36-L385 HydrophobicContact CD2-CD2 4.45Å; L36-L385 HydrophobicContact CG-CB 4.11Å
37E94.3Very high94.4Very high135 Ų13529 Ų2963%0.63115%0.148SC*.SBendtrans-64.7-37.7173.6-169-176.4158.400111.3N383E37-N383 PolarHBondContact O-ND2 3.06Å
38W95.4Very high94.5Very high82 Ų8229.4 Ų29.431%0.31115%0.151SC..SBendtrans-132.9153178.8-61106000109.5L36 T60 T62 E65 N383L36-W38 VanDerWaalsContact C-N 3.27Å; L36-W38 WeakPolarHBondContact CB-O 3.34Å; L36-W38 PolarHBondContact O-N 2.88Å; W38-T60 HydrophobicContact CB-CG2 4.28Å; W38-T62 HydrophobicContact CD2-CG2 4.26Å; W38-T62 HydrophobicContact CG-CG2 4.31Å; W38-E65 HydrophobicContact CH2-CG 4.17Å; W38-E65 HydrophobicContact CZ2-CB 4.23Å; W38-E65 HydrophobicContact CZ2-CG 3.73Å; W38-N383 WeakPolarHBondContact CA-ND2 3.46Å
39P96.8Very high94.3Very high18 Ų1834.2 Ų34.212%0.11717%0.169CC..  trans-63.6157.6175.728.1-31.9000110.7H61 N383P39-H61 WeakPolarHBondContact CD-O 3.16Å; P39-H61 HydrophobicContact CG-CB 4.26Å; P39-H61 WeakPolarHBondContact CG-O 3.34Å; P39-H61 PolarHBondContact O-N 3.37Å; P39-N383 VanDerWaalsContact CD-OD1 3.29Å; P39-N383 WeakPolarHBondContact CD-OD1 3.41Å
40S98.2Very high93.9Very high1 Ų136.2 Ų36.21%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-118.3133.5175.2-170.50000109.7T42 G59 S364 V379S40-T42 PolarHBondContact OG-N 3.1Å; S40-T42 PolarHBondContact OG-O 3.17Å; S40-G59 VanDerWaalsContact CA-O 3.27Å; S40-G59 WeakPolarHBondContact CA-O 3.31Å; S40-G59 WeakPolarHBondContact CB-O 3.36Å; S40-G59 PolarHBondContact OG-N 2.88Å; S40-G59 PolarHBondContact OG-O 3.49Å; S40-S364 WeakPolarHBondContact O-CB 3.29Å; S40-S364 PolarHBondContact O-OG 2.87Å; S40-V379 WeakPolarHBondContact O-CG2 3.29Å
41L98.1Very high93.6Very high43 Ų4343.3 Ų43.323%0.22522%0.217CC..EExtended strand (participates in β ladder)trans-89.4-8.2172.6-65.1174000112.5H61 D365L41-H61 HydrophobicContact CD1-CB 4.02Å; L41-H61 HydrophobicContact CG-CB 3.84Å; L41-D365 WeakPolarHBondContact O-CB 3.37Å
42T98.6Very high93.1Very high0 Ų048 Ų480%024%0.242CC..EExtended strand (participates in β ladder)trans-140.9143.2-173.8-176.20000111.2S40 V117 A120 R121 D365S40-T42 PolarHBondContact OG-N 3.1Å; S40-T42 PolarHBondContact OG-O 3.17Å; T42-V117 HydrophobicContact CG2-CB 4.46Å; T42-V117 HydrophobicContact CG2-CG1 3.92Å; T42-A120 HydrophobicContact CG2-CB 3.89Å; T42-A120 PolarHBondContact OG1-N 3.15Å; T42-A120 PolarHBondContact OG1-O 3.37Å; T42-R121 PolarHBondContact OG1-NH1 2.85Å; T42-D365 WeakPolarHBondContact CA-OD2 3.39Å
43V98.6Very high93Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-146.6138.2168.467.10000110.3M56 I57 I58 D365 C377 V379 L385V43-M56 HydrophobicContact CG2-SD 4.09Å; V43-I57 WeakPolarHBondContact CA-O 3.38Å; V43-I58 HydrophobicContact CB-CG2 4.32Å; V43-I58 HydrophobicContact CG2-CG2 3.92Å; V43-D365 HydrophobicContact CG1-CB 4.19Å; V43-D365 PolarHBondContact N-OD2 3.33Å; V43-C377 HydrophobicContact CG2-CB 4.45Å; V43-C377 WeakPolarHBondContact CG2-SG 3.38Å; V43-V379 HydrophobicContact CB-CG1 4Å; V43-V379 HydrophobicContact CB-CG2 4.03Å; V43-V379 HydrophobicContact CG1-CG1 4.38Å; V43-V379 HydrophobicContact CG1-CG2 3.97Å; V43-V379 HydrophobicContact CG2-CG1 4.34Å; V43-L385 HydrophobicContact CG2-CD1 4.5Å
44Q98.5Very high93.1Very high39 Ų3947.8 Ų47.818%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-150.1130.3173.6-166.2-176.333.400111M56 I57 R121 Y122Q44-M56 CarbonylContact O-C 3.55Å; Q44-M56 VanDerWaalsContact O-CA 3.22Å; Q44-M56 WeakPolarHBondContact O-CA 3.43Å; Q44-M56 WeakPolarHBondContact O-CB 3.12Å; Q44-I57 PolarHBondContact N-O 3.27Å; Q44-I57 PolarHBondContact O-N 3.05Å; Q44-R121 VanDerWaalsContact OE1-CA 3.26Å; Q44-Y122 VanDerWaalsContact CD-CE1 3.45Å; Q44-Y122 HydrophobicContact CG-CD1 4.15Å; Q44-Y122 HydrophobicContact CG-CE1 4.02Å
45W98Very high93.2Very high4 Ų447 Ų472%0.01524%0.236CC..EExtended strand (participates in β ladder)trans-64.7137.9169.5-70.7104.8000111.5D54 M56 V74 Y122 A367 W368 H369 L370 C377 V387W45-D54 HydrophobicContact CE3-CB 4.31Å; W45-D54 HydrophobicContact CZ3-CB 3.74Å; W45-M56 HydrophobicContact CD2-CB 4.45Å; W45-M56 HydrophobicContact CD2-CE 4.07Å; W45-M56 HydrophobicContact CE3-CB 4.07Å; W45-M56 HydrophobicContact CE3-CE 3.79Å; W45-M56 HydrophobicContact CH2-CE 3.11Å; W45-M56 HydrophobicContact CZ2-CE 3.42Å; W45-M56 VanDerWaalsContact CZ2-CE 3.42Å; W45-M56 HydrophobicContact CZ3-CB 4.48Å; W45-M56 HydrophobicContact CZ3-CE 3.3Å; W45-V74 HydrophobicContact CH2-CB 4.35Å; W45-V74 HydrophobicContact CH2-CG1 4.34Å; W45-V74 HydrophobicContact CH2-CG2 4.47Å; W45-V74 HydrophobicContact CZ3-CB 4.33Å; W45-V74 HydrophobicContact CZ3-CG2 4.44Å; W45-Y122 WeakPolarHBondContact O-CE1 3.39Å; W45-A367 PolarHBondContact NE1-O 2.99Å; W45-W368 VanDerWaalsContact CD1-O 3.26Å; W45-H369 AromaticContact CD2-CD2 3.63Å; W45-H369 AromaticContact CE2-CD2 3.7Å; W45-H369 AromaticContact CE3-CD2 3.82Å; W45-H369 AromaticContact CZ2-CD2 3.94Å; W45-L370 HydrophobicContact CB-CD1 4.39Å; W45-L370 HydrophobicContact CB-CG 4.26Å; W45-C377 HydrophobicContact CZ2-CB 3.77Å; W45-C377 PolarHBondContact NE1-SG 3.09Å; W45-V387 HydrophobicContact CH2-CG1 3.95Å; W45-V387 HydrophobicContact CH2-CG2 4.25Å; W45-V387 HydrophobicContact CZ2-CG1 3.71Å; W45-V387 HydrophobicContact CZ2-CG2 4.15Å
46L97.2Very high93.3Very high2 Ų244.2 Ų44.21%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-87146.8169.2-76169000110.1D48 R55 I57 I71 Y122L46-D48 WeakPolarHBondContact CB-OD1 3.41Å; L46-D48 PolarHBondContact O-N 3.39Å; L46-R55 HydrophobicContact CB-CB 4.11Å; L46-R55 WeakPolarHBondContact CB-O 3.28Å; L46-R55 HydrophobicContact CD1-CB 3.94Å; L46-R55 PolarHBondContact N-O 2.99Å; L46-I57 HydrophobicContact CD1-CG1 4.03Å; L46-I57 HydrophobicContact CD2-CD1 3.59Å; L46-I57 HydrophobicContact CD2-CG1 3.96Å; L46-I57 HydrophobicContact CG-CD1 4.08Å; L46-I57 HydrophobicContact CG-CG1 3.9Å; L46-I71 HydrophobicContact CD1-CD1 4.01Å; L46-I71 HydrophobicContact CD1-CG1 4.22Å; L46-I71 HydrophobicContact CD1-CG2 3.81Å; L46-Y122 HydrophobicContact CD2-CD1 3.95Å; L46-Y122 HydrophobicContact CD2-CG 4.12Å
47P95.6Very high93.4Very high46 Ų4643.3 Ų43.330%0.29921%0.212SC..EExtended strand (participates in β ladder)trans-71-19.4-176.627.2-33.7000113.5Y122 P127 L370 R371P47-Y122 HydrophobicContact CG-CE2 4.13Å; P47-P127 HydrophobicContact CG-CB 3.62Å; P47-P127 HydrophobicContact CG-CG 3.41Å; P47-P127 VanDerWaalsContact CG-CG 3.41Å; P47-L370 HydrophobicContact CB-CD1 3.95Å; P47-R371 PolarHBondContact O-NH1 2.87Å
48D89.6Confident93.6Very high48 Ų4837.1 Ų37.126%0.25718%0.183SC..EExtended strand (participates in β ladder)trans-91.8146.9-175.473.1-67.4000112.9L46 R55L46-D48 WeakPolarHBondContact CB-OD1 3.41Å; L46-D48 PolarHBondContact O-N 3.39Å; D48-R55 IonicContact OD1-CZ 3.46Å; D48-R55 IonicContact OD1-NE 3.35Å; D48-R55 PolarHBondContact OD1-NE 3.19Å; D48-R55 IonicContact OD1-NH2 2.76Å; D48-R55 PolarHBondContact OD1-NH2 2.93Å; D48-R55 IonicContact OD2-CZ 2.92Å; D48-R55 IonicContact OD2-NE 2.76Å; D48-R55 PolarHBondContact OD2-NE 3.23Å; D48-R55 IonicContact OD2-NH2 2.66Å; D48-R55 PolarHBondContact OD2-NH2 3.23Å
49R85.8Confident93.7Very high102 Ų10233.3 Ų33.339%0.38517%0.169SC..EExtended strand (participates in β ladder)trans-121.3125176.2-168.7176.6-172.9-166.7-4.4108.4N52 T53 D54R49-N52 PolarHBondContact NE-O 3.14Å; R49-N52 PolarHBondContact NH2-O 3.44Å; R49-T53 WeakPolarHBondContact CG-O 3.02Å; R49-D54 IonicContact CZ-OD2 3.74Å; R49-D54 IonicContact NE-OD1 2.77Å; R49-D54 IonicContact NE-OD2 3.8Å; R49-D54 PolarHBondContact NE-OD2 3.36Å; R49-D54 IonicContact NH2-OD2 3.74Å
50I80.6Confident93.7Very high78 Ų7832.8 Ų32.840%0.417%0.165SC..EExtended strand (participates in β ladder)trans-118.9122.4-177.1-57179.2000108N52 T53I50-N52 VanDerWaalsContact C-N 3.29Å; I50-N52 PolarHBondContact O-N 3.13Å; I50-T53 PolarHBondContact N-O 3.41Å; I50-T53 VanDerWaalsContact O-CB 3.24Å; I50-T53 WeakPolarHBondContact O-CB 3.18Å; I50-T53 PolarHBondContact O-N 2.75Å
51N80.7Confident93.6Very high152 Ų15235.9 Ų35.981%0.81318%0.179SC*.THydrogen-bonded Turntrans52.641.3177.8-59.8-23.9000114.3T53N51-T53 PolarHBondContact O-N 3.28Å
52N79.9Confident93.4Very high99 Ų9934.4 Ų34.453%0.52917%0.172SC..THydrogen-bonded Turntrans67.45.7-174.3-63.5-16.1000116.1R49 I50R49-N52 PolarHBondContact NE-O 3.14Å; R49-N52 PolarHBondContact NH2-O 3.44Å; I50-N52 VanDerWaalsContact C-N 3.29Å; I50-N52 PolarHBondContact O-N 3.13Å
53T90.2Very high92.7Very high15 Ų1539.4 Ų39.49%0.09221%0.207CC..EExtended strand (participates in β ladder)trans-97.7128176.4-50.50000110R49 I50 N51 N73 V74 D75R49-T53 WeakPolarHBondContact CG-O 3.02Å; I50-T53 PolarHBondContact N-O 3.41Å; I50-T53 VanDerWaalsContact O-CB 3.24Å; I50-T53 WeakPolarHBondContact O-CB 3.18Å; I50-T53 PolarHBondContact O-N 2.75Å; N51-T53 PolarHBondContact O-N 3.28Å; T53-N73 HydrophobicContact CG2-CB 3.49Å; T53-N73 VanDerWaalsContact CG2-CB 3.49Å; T53-V74 VanDerWaalsContact CG2-N 3.34Å; T53-D75 WeakPolarHBondContact CB-OD1 3.22Å; T53-D75 VanDerWaalsContact CG2-OD1 3.23Å; T53-D75 WeakPolarHBondContact CG2-OD1 3.14Å; T53-D75 PolarHBondContact OG1-OD1 3.1Å
54D94.4Very high92.1Very high1 Ų146.2 Ų46.21%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-87.1149176-63.5-81.4000108.9W45 R49 V74 L76 H369 R371W45-D54 HydrophobicContact CE3-CB 4.31Å; W45-D54 HydrophobicContact CZ3-CB 3.74Å; R49-D54 IonicContact CZ-OD2 3.74Å; R49-D54 IonicContact NE-OD1 2.77Å; R49-D54 IonicContact NE-OD2 3.8Å; R49-D54 PolarHBondContact NE-OD2 3.36Å; R49-D54 IonicContact NH2-OD2 3.74Å; D54-V74 PolarHBondContact N-O 3.06Å; D54-V74 PolarHBondContact O-N 3.28Å; D54-L76 HydrophobicContact CB-CD1 4.1Å; D54-L76 HydrophobicContact CB-CG 4.4Å; D54-L76 VanDerWaalsContact OD2-CD1 3.29Å; D54-L76 WeakPolarHBondContact OD2-CD1 3.31Å; D54-H369 IonicContact OD1-NE2 3.04Å; D54-R371 IonicContact OD1-CZ 2.71Å; D54-R371 IonicContact OD1-NE 2.86Å; D54-R371 IonicContact OD1-NH2 3.19Å; D54-R371 PolarHBondContact OD1-NH2 2.86Å
55R96Very high91.8Very high44 Ų4450 Ų5017%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-120.3147.6-173.4-54.8-164-58.415211.4111L46 D48 I71 L72 N73L46-R55 HydrophobicContact CB-CB 4.11Å; L46-R55 WeakPolarHBondContact CB-O 3.28Å; L46-R55 HydrophobicContact CD1-CB 3.94Å; L46-R55 PolarHBondContact N-O 2.99Å; D48-R55 IonicContact OD1-CZ 3.46Å; D48-R55 IonicContact OD1-NE 3.35Å; D48-R55 PolarHBondContact OD1-NE 3.19Å; D48-R55 IonicContact OD1-NH2 2.76Å; D48-R55 PolarHBondContact OD1-NH2 2.93Å; D48-R55 IonicContact OD2-CZ 2.92Å; D48-R55 IonicContact OD2-NE 2.76Å; D48-R55 PolarHBondContact OD2-NE 3.23Å; D48-R55 IonicContact OD2-NH2 2.66Å; D48-R55 PolarHBondContact OD2-NH2 3.23Å; R55-I71 HydrophobicContact CB-CG2 4.05Å; R55-L72 CarbonylContact C-O 3.59Å; R55-L72 VanDerWaalsContact CA-O 3.22Å; R55-L72 WeakPolarHBondContact CA-O 3.32Å; R55-N73 WeakPolarHBondContact CD-OD1 3.38Å; R55-N73 WeakPolarHBondContact CG-OD1 3.3Å
56M97.1Very high91.6Very high0 Ų053.6 Ų53.60%028%0.279CS..EExtended strand (participates in β ladder)trans-141.1148.9175.662.7178.86100111.6V43 Q44 W45 I71 L72 V74 C377 L385 V387V43-M56 HydrophobicContact CG2-SD 4.09Å; Q44-M56 CarbonylContact O-C 3.55Å; Q44-M56 VanDerWaalsContact O-CA 3.22Å; Q44-M56 WeakPolarHBondContact O-CA 3.43Å; Q44-M56 WeakPolarHBondContact O-CB 3.12Å; W45-M56 HydrophobicContact CD2-CB 4.45Å; W45-M56 HydrophobicContact CD2-CE 4.07Å; W45-M56 HydrophobicContact CE3-CB 4.07Å; W45-M56 HydrophobicContact CE3-CE 3.79Å; W45-M56 HydrophobicContact CH2-CE 3.11Å; W45-M56 HydrophobicContact CZ2-CE 3.42Å; W45-M56 VanDerWaalsContact CZ2-CE 3.42Å; W45-M56 HydrophobicContact CZ3-CB 4.48Å; W45-M56 HydrophobicContact CZ3-CE 3.3Å; M56-I71 CarbonylContact O-C 3.56Å; M56-I71 VanDerWaalsContact O-CA 3.26Å; M56-I71 WeakPolarHBondContact O-CA 3.22Å; M56-L72 HydrophobicContact CG-CB 3.82Å; M56-L72 HydrophobicContact CG-CD1 4.39Å; M56-L72 HydrophobicContact CG-CG 4.38Å; M56-L72 PolarHBondContact N-O 3.37Å; M56-L72 PolarHBondContact O-N 3.16Å; M56-L72 HydrophobicContact SD-CD1 4.24Å; M56-V74 HydrophobicContact CE-CG2 3.56Å; M56-V74 HydrophobicContact CG-CG2 4.37Å; M56-V74 HydrophobicContact SD-CG2 4.17Å; M56-C377 HydrophobicContact CE-CB 4.01Å; M56-L385 HydrophobicContact SD-CD1 4.04Å; M56-L385 HydrophobicContact SD-CD2 3.87Å; M56-V387 HydrophobicContact CE-CG2 3.89Å
57I98.2Very high91.5Very high1 Ų153.9 Ų53.91%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-90.4134.6172-60.8159.3000108.4V43 Q44 L46 L69 M70 I71 A120 Y122 V130V43-I57 WeakPolarHBondContact CA-O 3.38Å; Q44-I57 PolarHBondContact N-O 3.27Å; Q44-I57 PolarHBondContact O-N 3.05Å; L46-I57 HydrophobicContact CD1-CG1 4.03Å; L46-I57 HydrophobicContact CD2-CD1 3.59Å; L46-I57 HydrophobicContact CD2-CG1 3.96Å; L46-I57 HydrophobicContact CG-CD1 4.08Å; L46-I57 HydrophobicContact CG-CG1 3.9Å; I57-L69 HydrophobicContact CG2-CD1 3.66Å; I57-M70 WeakPolarHBondContact CA-O 3.39Å; I57-I71 HydrophobicContact CG1-CG1 4.38Å; I57-A120 HydrophobicContact CG2-CB 3.69Å; I57-Y122 HydrophobicContact CD1-CD1 4.38Å; I57-V130 HydrophobicContact CD1-CG1 4.13Å; I57-V130 HydrophobicContact CD1-CG2 3.62Å; I57-V130 HydrophobicContact CG1-CG2 4.47Å; I57-V130 HydrophobicContact CG2-CG1 4.45Å
58I98.3Very high91.6Very high5 Ų554.6 Ų54.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-135.5168.5165.963.7161.3000109.2L36 V43 M70 L72L36-I58 HydrophobicContact CD1-CD1 4.17Å; L36-I58 HydrophobicContact CD2-CD1 3.79Å; V43-I58 HydrophobicContact CB-CG2 4.32Å; V43-I58 HydrophobicContact CG2-CG2 3.92Å; I58-M70 HydrophobicContact CG1-CB 3.97Å; I58-M70 PolarHBondContact N-O 2.97Å; I58-M70 PolarHBondContact O-N 3.19Å; I58-M70 VanDerWaalsContact O-O 3.08Å; I58-L72 HydrophobicContact CD1-CD1 3.67Å; I58-L72 HydrophobicContact CD1-CD2 4.09Å; I58-L72 HydrophobicContact CD1-CG 3.94Å; I58-L72 HydrophobicContact CG1-CD1 4.13Å; I58-L72 HydrophobicContact CG1-CD2 4.43Å; I58-L72 HydrophobicContact CG1-CG 4.02Å; I58-L72 HydrophobicContact CG2-CD1 4.3Å
59G97.9Very high92Very high1 Ų152.3 Ų52.31%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-143.3151.6170.100000111S40 Y68S40-G59 VanDerWaalsContact CA-O 3.27Å; S40-G59 WeakPolarHBondContact CA-O 3.31Å; S40-G59 WeakPolarHBondContact CB-O 3.36Å; S40-G59 PolarHBondContact OG-N 2.88Å; S40-G59 PolarHBondContact OG-O 3.49Å; G59-Y68 WeakPolarHBondContact CA-O 2.96Å
60T97.2Very high92.5Very high7 Ų748 Ų484%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-81153.8-175.558.50000111.8W38 N67 Y68 M70 E116 V117W38-T60 HydrophobicContact CB-CG2 4.28Å; T60-N67 VanDerWaalsContact C-OD1 3.31Å; T60-N67 PolarHBondContact O-OD1 3.09Å; T60-N67 WeakPolarHBondContact OG1-CA 3.43Å; T60-N67 VanDerWaalsContact OG1-CB 3.31Å; T60-N67 WeakPolarHBondContact OG1-CB 3.39Å; T60-N67 PolarHBondContact OG1-OD1 3.32Å; T60-Y68 PolarHBondContact N-O 2.93Å; T60-Y68 PolarHBondContact OG1-N 3.23Å; T60-M70 HydrophobicContact CG2-CE 3.57Å; T60-E116 WeakPolarHBondContact O-CA 3.26Å; T60-E116 WeakPolarHBondContact O-CB 3.24Å; T60-V117 PolarHBondContact O-N 3.42Å; T60-V117 VanDerWaalsContact O-N 3.08Å
61H95.5Very high93.3Very high66 Ų6644.3 Ų44.331%0.30623%0.231SC..  trans-126.198.9169.5174.9-148.6000110.1P39 L41 E116P39-H61 WeakPolarHBondContact CD-O 3.16Å; P39-H61 HydrophobicContact CG-CB 4.26Å; P39-H61 WeakPolarHBondContact CG-O 3.34Å; P39-H61 PolarHBondContact O-N 3.37Å; L41-H61 HydrophobicContact CD1-CB 4.02Å; L41-H61 HydrophobicContact CG-CB 3.84Å; H61-E116 HydrophobicContact CB-CB 4.22Å
62T93Very high94.1Very high12 Ų1237.2 Ų37.27%0.07419%0.192CC..  trans-148.7143.7175.6179.70000110.6W38 E65 N67W38-T62 HydrophobicContact CD2-CG2 4.26Å; W38-T62 HydrophobicContact CG-CG2 4.31Å; T62-E65 HydrophobicContact CG2-CB 3.86Å; T62-N67 WeakPolarHBondContact CG2-OD1 3.47Å; T62-N67 PolarHBondContact N-OD1 3.37Å; T62-N67 PolarHBondContact O-ND2 3.46Å
63S85.2Confident94.8Very high105 Ų10533.9 Ų33.973%0.73418%0.175SC*.SBendtrans-96.1-19.1-177.251.20000114.1
64N84.9Confident95Very high144 Ų14433.1 Ų33.177%0.7717%0.17SC*.SBendtrans-113.7-8.5-170.7-63.6-49.7000113.8
65E91.4Very high94.8Very high119 Ų11935.7 Ų35.756%0.55618%0.184SC*.SBendtrans-125.4166.2-174.5-68.5-69169.700110.8W38 T62 N67W38-E65 HydrophobicContact CH2-CG 4.17Å; W38-E65 HydrophobicContact CZ2-CB 4.23Å; W38-E65 HydrophobicContact CZ2-CG 3.73Å; T62-E65 HydrophobicContact CG2-CB 3.86Å; E65-N67 PolarHBondContact O-N 3.08Å
66Q94.3Very high94.3Very high79 Ų7934.4 Ų34.437%0.36918%0.18SC..  trans-65.2122.3176.4177.559.869.500110Y68 P112 H113Q66-Y68 HydrophobicContact CB-CE2 4.05Å; Q66-Y68 HydrophobicContact CG-CE1 4.01Å; Q66-Y68 HydrophobicContact CG-CE2 3.88Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.33Å; Q66-Y68 WeakPolarHBondContact O-CE2 3.31Å; Q66-P112 HydrophobicContact CG-CB 4.34Å; Q66-H113 PolarHBondContact NE2-O 2.95Å
67N96.3Very high93.3Very high8 Ų835.3 Ų35.34%0.04319%0.186CC..EExtended strand (participates in β ladder)trans-78.7155.2172.8-77.8-72.5000112T60 T62 E65 H113 G115 E116T60-N67 VanDerWaalsContact C-OD1 3.31Å; T60-N67 PolarHBondContact O-OD1 3.09Å; T60-N67 WeakPolarHBondContact OG1-CA 3.43Å; T60-N67 VanDerWaalsContact OG1-CB 3.31Å; T60-N67 WeakPolarHBondContact OG1-CB 3.39Å; T60-N67 PolarHBondContact OG1-OD1 3.32Å; T62-N67 WeakPolarHBondContact CG2-OD1 3.47Å; T62-N67 PolarHBondContact N-OD1 3.37Å; T62-N67 PolarHBondContact O-ND2 3.46Å; E65-N67 PolarHBondContact O-N 3.08Å; N67-H113 HydrophobicContact CB-CB 4.43Å; N67-H113 PolarHBondContact O-N 2.83Å; N67-G115 WeakPolarHBondContact CB-O 3.38Å; N67-E116 PolarHBondContact ND2-N 2.72Å
68Y96.8Very high91.8Very high60 Ų6040 Ų4024%0.23521%0.21CC..EExtended strand (participates in β ladder)trans-138.9143.1179.7-60.8-88.8000111.5G59 T60 Q66 M70 R110 I111 P112G59-Y68 WeakPolarHBondContact CA-O 2.96Å; T60-Y68 PolarHBondContact N-O 2.93Å; T60-Y68 PolarHBondContact OG1-N 3.23Å; Q66-Y68 HydrophobicContact CB-CE2 4.05Å; Q66-Y68 HydrophobicContact CG-CE1 4.01Å; Q66-Y68 HydrophobicContact CG-CE2 3.88Å; Q66-Y68 WeakPolarHBondContact O-CD2 3.33Å; Q66-Y68 WeakPolarHBondContact O-CE2 3.31Å; Y68-M70 HydrophobicContact CD2-CE 3.81Å; Y68-M70 HydrophobicContact CG-CE 3.85Å; Y68-R110 HydrophobicContact CD1-CB 4.47Å; Y68-R110 HydrophobicContact CD1-CG 4.44Å; Y68-I111 VanDerWaalsContact CA-O 3.26Å; Y68-I111 WeakPolarHBondContact CA-O 3.25Å; Y68-P112 HydrophobicContact CD1-CG 4.5Å; Y68-P112 HydrophobicContact CE1-CB 4.45Å; Y68-P112 HydrophobicContact CE1-CG 4.13Å
69L97.6Very high89.9Confident1 Ų144.4 Ų44.41%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-87.1129.9155.6177.668.3000107.3I57 W109 R110 I111 V117 A120 V130 T132 F142I57-L69 HydrophobicContact CG2-CD1 3.66Å; L69-W109 HydrophobicContact CD2-CH2 4.25Å; L69-W109 HydrophobicContact CD2-CZ3 4.12Å; L69-W109 HydrophobicContact CG-CZ3 4.06Å; L69-R110 CarbonylContact O-C 3.57Å; L69-R110 VanDerWaalsContact O-CA 3.29Å; L69-R110 WeakPolarHBondContact O-CA 3.38Å; L69-I111 HydrophobicContact CB-CG2 4.01Å; L69-I111 PolarHBondContact N-O 3.15Å; L69-I111 VanDerWaalsContact N-O 3.08Å; L69-I111 PolarHBondContact O-N 3.2Å; L69-V117 HydrophobicContact CD1-CG1 4.47Å; L69-A120 HydrophobicContact CD1-CB 3.79Å; L69-V130 HydrophobicContact CD1-CG1 4.45Å; L69-V130 HydrophobicContact CD2-CB 4.46Å; L69-V130 HydrophobicContact CD2-CG1 4.06Å; L69-T132 HydrophobicContact CD1-CG2 3.77Å; L69-T132 HydrophobicContact CD2-CG2 3.8Å; L69-T132 HydrophobicContact CG-CG2 4.3Å; L69-F142 HydrophobicContact CD2-CB 4.08Å; L69-F142 HydrophobicContact CD2-CD2 3.69Å; L69-F142 HydrophobicContact CD2-CE2 4.32Å; L69-F142 HydrophobicContact CD2-CG 3.97Å
70M97.2Very high87.6Confident10 Ų1052.8 Ų52.85%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-130.9153.4-174.3-51.5-169.7-176.800112I57 I58 T60 Y68 I107 W109 R110I57-M70 WeakPolarHBondContact CA-O 3.39Å; I58-M70 HydrophobicContact CG1-CB 3.97Å; I58-M70 PolarHBondContact N-O 2.97Å; I58-M70 PolarHBondContact O-N 3.19Å; I58-M70 VanDerWaalsContact O-O 3.08Å; T60-M70 HydrophobicContact CG2-CE 3.57Å; Y68-M70 HydrophobicContact CD2-CE 3.81Å; Y68-M70 HydrophobicContact CG-CE 3.85Å; M70-I107 HydrophobicContact CE-CD1 4.46Å; M70-I107 HydrophobicContact SD-CD1 3.73Å; M70-I107 HydrophobicContact SD-CG1 4.1Å; M70-I107 HydrophobicContact SD-CG2 4.32Å; M70-W109 CarbonylContact C-O 3.53Å; M70-W109 WeakPolarHBondContact CA-O 2.86Å; M70-R110 HydrophobicContact CB-CB 4.31Å; M70-R110 HydrophobicContact CG-CB 3.8Å
71I97.3Very high85.1Confident2 Ų260.1 Ų60.11%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-115.6127.6163.9-59.9171.7000107.8L46 R55 M56 I57 S108 W109 T144L46-I71 HydrophobicContact CD1-CD1 4.01Å; L46-I71 HydrophobicContact CD1-CG1 4.22Å; L46-I71 HydrophobicContact CD1-CG2 3.81Å; R55-I71 HydrophobicContact CB-CG2 4.05Å; M56-I71 CarbonylContact O-C 3.56Å; M56-I71 VanDerWaalsContact O-CA 3.26Å; M56-I71 WeakPolarHBondContact O-CA 3.22Å; I57-I71 HydrophobicContact CG1-CG1 4.38Å; I71-S108 PolarHBondContact O-N 3.33Å; I71-S108 PolarHBondContact O-OG 3.17Å; I71-W109 HydrophobicContact CB-CB 4.14Å; I71-W109 HydrophobicContact CD1-CB 4.36Å; I71-W109 HydrophobicContact CD1-CD2 4.33Å; I71-W109 HydrophobicContact CD1-CE3 4.02Å; I71-W109 HydrophobicContact CG1-CE3 3.89Å; I71-W109 PolarHBondContact N-O 3.16Å; I71-W109 PolarHBondContact O-N 3.47Å; I71-T144 HydrophobicContact CD1-CG2 3.69Å
72L96.6Very high82.6Confident2 Ų263 Ų631%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-97.9143.8171.9-53.3-176.5000109.9L36 R55 M56 I58 V105 E106 I107 L385L36-L72 HydrophobicContact CD2-CD1 4.16Å; R55-L72 CarbonylContact C-O 3.59Å; R55-L72 VanDerWaalsContact CA-O 3.22Å; R55-L72 WeakPolarHBondContact CA-O 3.32Å; M56-L72 HydrophobicContact CG-CB 3.82Å; M56-L72 HydrophobicContact CG-CD1 4.39Å; M56-L72 HydrophobicContact CG-CG 4.38Å; M56-L72 PolarHBondContact N-O 3.37Å; M56-L72 PolarHBondContact O-N 3.16Å; M56-L72 HydrophobicContact SD-CD1 4.24Å; I58-L72 HydrophobicContact CD1-CD1 3.67Å; I58-L72 HydrophobicContact CD1-CD2 4.09Å; I58-L72 HydrophobicContact CD1-CG 3.94Å; I58-L72 HydrophobicContact CG1-CD1 4.13Å; I58-L72 HydrophobicContact CG1-CD2 4.43Å; I58-L72 HydrophobicContact CG1-CG 4.02Å; I58-L72 HydrophobicContact CG2-CD1 4.3Å; L72-V105 HydrophobicContact CB-CG1 4.26Å; L72-V105 HydrophobicContact CD1-CG1 3.85Å; L72-E106 CarbonylContact C-O 3.54Å; L72-E106 WeakPolarHBondContact CA-O 3.48Å; L72-I107 HydrophobicContact CD2-CB 4.21Å; L72-I107 HydrophobicContact CD2-CG1 3.54Å; L72-L385 HydrophobicContact CD1-CD2 3.61Å
73N95.3Very high80.4Confident29 Ų2966.9 Ų66.916%0.15534%0.342CS..EExtended strand (participates in β ladder)trans-97.8129.7165.5-88.515.6000107.8T53 R55 V105 E106 S108T53-N73 HydrophobicContact CG2-CB 3.49Å; T53-N73 VanDerWaalsContact CG2-CB 3.49Å; R55-N73 WeakPolarHBondContact CD-OD1 3.38Å; R55-N73 WeakPolarHBondContact CG-OD1 3.3Å; N73-V105 VanDerWaalsContact O-CA 3.29Å; N73-V105 WeakPolarHBondContact O-CA 3.46Å; N73-E106 HydrophobicContact CB-CG 3.88Å; N73-E106 PolarHBondContact N-O 2.66Å; N73-E106 PolarHBondContact O-N 2.79Å; N73-S108 WeakPolarHBondContact ND2-CB 3.41Å; N73-S108 VanDerWaalsContact OD1-CB 3.24Å; N73-S108 WeakPolarHBondContact OD1-CB 3.35Å; N73-S108 PolarHBondContact OD1-OG 3.32Å
74V94Very high78.5Confident0 Ų066.4 Ų66.40%033%0.331CS..EExtended strand (participates in β ladder)trans-124.3111.9-179.2-177.30000109.4I32 W45 T53 D54 M56 L76 V105I32-V74 HydrophobicContact CD1-CG1 4.38Å; W45-V74 HydrophobicContact CH2-CB 4.35Å; W45-V74 HydrophobicContact CH2-CG1 4.34Å; W45-V74 HydrophobicContact CH2-CG2 4.47Å; W45-V74 HydrophobicContact CZ3-CB 4.33Å; W45-V74 HydrophobicContact CZ3-CG2 4.44Å; T53-V74 VanDerWaalsContact CG2-N 3.34Å; D54-V74 PolarHBondContact N-O 3.06Å; D54-V74 PolarHBondContact O-N 3.28Å; M56-V74 HydrophobicContact CE-CG2 3.56Å; M56-V74 HydrophobicContact CG-CG2 4.37Å; M56-V74 HydrophobicContact SD-CG2 4.17Å; V74-L76 HydrophobicContact CG1-CD2 3.77Å; V74-L76 HydrophobicContact CG1-CG 4.4Å; V74-L76 PolarHBondContact O-N 3.1Å; V74-V105 HydrophobicContact CG1-CG2 4.16Å; V74-V105 HydrophobicContact CG2-CG1 4.26Å; V74-V105 HydrophobicContact CG2-CG2 4.11Å
75D90.2Very high76.7Confident54 Ų5464.9 Ų64.929%0.28932%0.324SS..EExtended strand (participates in β ladder)trans-80100.4174.5-68.6-22.6000109.5T53 S103 K104T53-D75 WeakPolarHBondContact CB-OD1 3.22Å; T53-D75 VanDerWaalsContact CG2-OD1 3.23Å; T53-D75 WeakPolarHBondContact CG2-OD1 3.14Å; T53-D75 PolarHBondContact OG1-OD1 3.1Å; D75-S103 WeakPolarHBondContact O-CA 3.13Å; D75-S103 WeakPolarHBondContact O-CB 3.37Å; D75-S103 PolarHBondContact O-OG 3.33Å; D75-K104 HydrophobicContact CB-CB 4.49Å; D75-K104 PolarHBondContact N-O 3.11Å
76L86.2Confident74.5Confident18 Ų1864.7 Ų64.79%0.09433%0.33CS..  trans-78.5140.4175.1-60.8-179.2000110.9M30 I32 D54 V74 M375 V387M30-L76 HydrophobicContact CE-CD2 4.07Å; M30-L76 HydrophobicContact SD-CD2 3.93Å; I32-L76 HydrophobicContact CD1-CD2 4.04Å; D54-L76 HydrophobicContact CB-CD1 4.1Å; D54-L76 HydrophobicContact CB-CG 4.4Å; D54-L76 VanDerWaalsContact OD2-CD1 3.29Å; D54-L76 WeakPolarHBondContact OD2-CD1 3.31Å; V74-L76 HydrophobicContact CG1-CD2 3.77Å; V74-L76 HydrophobicContact CG1-CG 4.4Å; V74-L76 PolarHBondContact O-N 3.1Å; L76-M375 HydrophobicContact CD1-CE 4.2Å; L76-M375 HydrophobicContact CD1-SD 3.56Å; L76-M375 VanDerWaalsContact CD1-SD 3.56Å; L76-M375 HydrophobicContact CD2-SD 4.19Å; L76-V387 HydrophobicContact CD2-CG1 4.03Å
77P76.3Confident72.1Confident18 Ų1865 Ų6512%0.11734%0.338CS..  trans-64.4138.7174.228.9-33.6000111.1M30 M79 F101M30-P77 HydrophobicContact CG-CG 3.74Å; M30-P77 WeakPolarHBondContact SD-CD 3.44Å; M30-P77 HydrophobicContact SD-CG 3.68Å; P77-M79 PolarHBondContact O-N 3.44Å; P77-F101 HydrophobicContact CB-CB 3.92Å; P77-F101 HydrophobicContact CB-CD1 3.44Å; P77-F101 VanDerWaalsContact CB-CD1 3.44Å; P77-F101 HydrophobicContact CB-CD2 3.53Å; P77-F101 HydrophobicContact CB-CE1 3.72Å; P77-F101 HydrophobicContact CB-CE2 3.83Å; P77-F101 HydrophobicContact CB-CG 3.35Å; P77-F101 HydrophobicContact CB-CZ 3.91Å; P77-F101 HydrophobicContact CG-CD2 4.07Å; P77-F101 HydrophobicContact CG-CE2 4.39Å; P77-F101 HydrophobicContact CG-CG 4.27Å
78I65.8Low69.8Low101 Ų10168.6 Ų68.652%0.51835%0.351SS..  trans-79.5112.9172.4-56.7170.3000107E80I78-E80 HydrophobicContact CG2-CB 4.38Å; I78-E80 HydrophobicContact CG2-CG 4.24Å; I78-E80 PolarHBondContact O-N 3.35Å
79M58.1Low67.1Low97 Ų9772.4 Ų72.448%0.47838%0.376SS..THydrogen-bonded Turntrans-65.212-174.2-69.7-65.6-133.900115.7D29 M30 P77 K81D29-M79 HydrophobicContact CB-CE 3.61Å; M30-M79 HydrophobicContact CB-CE 4.19Å; P77-M79 PolarHBondContact O-N 3.44Å; M79-K81 VanDerWaalsContact C-N 3.31Å; M79-K81 PolarHBondContact O-N 3.46Å
80E50.6Low64.4Low177 Ų17779.8 Ų79.883%0.82741%0.412SS*.THydrogen-bonded Turntrans-80.9-5.2177.6-69.4-173.5171.600114I78I78-E80 HydrophobicContact CG2-CB 4.38Å; I78-E80 HydrophobicContact CG2-CG 4.24Å; I78-E80 PolarHBondContact O-N 3.35Å
81K45.6Very low61.9Low160 Ų16087 Ų8770%0.69645%0.451SS*.SBendtrans-96.9121.1176-76.2-173.6179.8177.40110.9M79 F83M79-K81 VanDerWaalsContact C-N 3.31Å; M79-K81 PolarHBondContact O-N 3.46Å; K81-F83 PolarHBondContact O-N 3.47Å
82P41.9Very low59.3Low126 Ų12689.5 Ų89.582%0.81848%0.477SS*.PPolyproline II helixtrans-60.9139.5174.322.5-30000111.1
83F46.8Very low56.5Low95 Ų9593.3 Ų93.342%0.41750%0.504SS..PPolyproline II helixtrans-50.6131.8-178.3-126.8-99.9000112.5D29 K81 N85 L99D29-F83 WeakPolarHBondContact O-CE2 3.41Å; K81-F83 PolarHBondContact O-N 3.47Å; F83-N85 WeakPolarHBondContact CD1-OD1 3.23Å; F83-L99 HydrophobicContact CE1-CD2 3.84Å; F83-L99 HydrophobicContact CE2-CD2 4.37Å; F83-L99 HydrophobicContact CZ-CD1 4.42Å; F83-L99 HydrophobicContact CZ-CD2 3.57Å
84D45.1Very low54Low94 Ų9498.1 Ų98.150%0.50353%0.53SS..  trans-110.3100.4169.9-170.6-7.9000109.9T86 V87D84-T86 VanDerWaalsContact CG-OG1 3.27Å; D84-T86 PolarHBondContact O-N 2.79Å; D84-T86 VanDerWaalsContact O-N 3.07Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 2.94Å; D84-T86 PolarHBondContact OD1-OG1 2.75Å; D84-T86 PolarHBondContact OD2-OG1 3.27Å; D84-V87 HydrophobicContact CB-CG2 4.12Å
85N46.9Very low51.4Low113 Ų113104.7 Ų104.760%0.60456%0.558SS**THydrogen-bonded Turntrans-64.8-5.5177.3-72.7-13.6000113.5F83 Y88F83-N85 WeakPolarHBondContact CD1-OD1 3.23Å; N85-Y88 WeakPolarHBondContact O-CD2 3.35Å
86T46.3Very low49.1Very low114 Ų114103.4 Ų103.470%0.69956%0.558SS**THydrogen-bonded Turntrans-93.2-5.3-174.869.90000114.8D84 Y88D84-T86 VanDerWaalsContact CG-OG1 3.27Å; D84-T86 PolarHBondContact O-N 2.79Å; D84-T86 VanDerWaalsContact O-N 3.07Å; D84-T86 WeakPolarHBondContact OD1-CB 3.48Å; D84-T86 PolarHBondContact OD1-N 2.94Å; D84-T86 PolarHBondContact OD1-OG1 2.75Å; D84-T86 PolarHBondContact OD2-OG1 3.27Å; T86-Y88 PolarHBondContact O-N 3.34Å
87V43.6Very low46.9Very low87 Ų87104.5 Ų104.553%0.52757%0.567SS.*  trans-83.88.9-176.6-167.60000113.1D84 D89D84-V87 HydrophobicContact CB-CG2 4.12Å; V87-D89 PolarHBondContact O-N 3.27Å; V87-D89 VanDerWaalsContact O-N 3.11Å
88Y46.9Very low45.7Very low82 Ų82106 Ų10632%0.32257%0.572SS.*  trans-76.896.8174.6-74.4-79.3000111.9T25 N85 T86 M90T25-Y88 HydrophobicContact CG2-CE1 4.38Å; T25-Y88 HydrophobicContact CG2-CE2 3.46Å; T25-Y88 VanDerWaalsContact CG2-CE2 3.46Å; T25-Y88 WeakPolarHBondContact CG2-OH 3.45Å; N85-Y88 WeakPolarHBondContact O-CD2 3.35Å; T86-Y88 PolarHBondContact O-N 3.34Å; Y88-M90 PolarHBondContact O-N 3.34Å
89D40.4Very low44.8Very low140 Ų140102 Ų10275%0.74955%0.551SS**  trans-79.595.9152.3-106-19.2000107.7V87 D91V87-D89 PolarHBondContact O-N 3.27Å; V87-D89 VanDerWaalsContact O-N 3.11Å; D89-D91 PolarHBondContact O-N 2.88Å; D89-D91 VanDerWaalsContact O-N 3.1Å
90M41.6Very low44.1Very low156 Ų156100.5 Ų100.577%0.76856%0.561SS**THydrogen-bonded Turntrans-59.2-16.8173.2-91.5-145.6160.500113.2R22 Y88R22-M90 HydrophobicContact CG-CE 4.46Å; Y88-M90 PolarHBondContact O-N 3.34Å
91D45.1Very low44Very low162 Ų16294.7 Ų94.787%0.86653%0.533SS*.THydrogen-bonded Turntrans-113.47.9-169.7-66.4-23.1000114.2D89D89-D91 PolarHBondContact O-N 2.88Å; D89-D91 VanDerWaalsContact O-N 3.1Å
92G42.3Very low44.6Very low55 Ų5595 Ų9557%0.56754%0.542SS*.SBendtrans-100.7-40.9-160.200000119
93S38.2Very low45.9Very low82 Ų8290 Ų9057%0.57351%0.51SS*.  trans-158.3117.8-179.659.20000111.5F95S93-F95 PolarHBondContact O-N 2.6Å
94D42.1Very low47.7Very low130 Ų13090.7 Ų90.770%0.69551%0.513SS*.SBendtrans-61.7-13.3178-81.5-39.4000114.4
95F39.3Very low49.9Very low137 Ų13787 Ų8760%0.60149%0.493SS*.SBendtrans-148.288.2-177.9-65.7-83.5000110.7C35 S93 I384C35-F95 WeakPolarHBondContact SG-CD1 3.38Å; S93-F95 PolarHBondContact O-N 2.6Å; F95-I384 HydrophobicContact CE1-CD1 4.04Å
96G42.3Very low52.1Low27 Ų2785.2 Ų85.228%0.27848%0.482SS..SBendtrans-170.8137177.100000110.8F98G96-F98 PolarHBondContact O-N 3.42Å
97C41Very low54.4Low41 Ų4183.7 Ų83.728%0.27747%0.468SS..  trans-22117.2176.8-155.60000114.6L99 F101C97-L99 PolarHBondContact O-N 3.33Å; C97-F101 PolarHBondContact SG-O 3.04Å
98F49.2Very low56.8Low51 Ų5182.1 Ų82.122%0.22446%0.461CS..SBendtrans-77.6-6.8-170.2-85.5-86.3000114.6L24 F31 T33 G96L24-F98 HydrophobicContact CD1-CB 4.37Å; L24-F98 HydrophobicContact CD1-CD1 4.13Å; L24-F98 HydrophobicContact CD1-CD2 4.4Å; L24-F98 HydrophobicContact CD1-CG 4.03Å; F31-F98 HydrophobicContact CD1-CB 4.36Å; F31-F98 AromaticContact CD1-CD2 3.8Å; F31-F98 HydrophobicContact CD1-CD2 3.8Å; F31-F98 HydrophobicContact CD1-CG 4.36Å; F31-F98 HydrophobicContact CE1-CD2 4.06Å; F31-F98 HydrophobicContact CE1-CE2 4.43Å; T33-F98 HydrophobicContact CG2-CD2 4.19Å; T33-F98 HydrophobicContact CG2-CE2 3.97Å; G96-F98 PolarHBondContact O-N 3.42Å
99L47.1Very low59.1Low16 Ų1679.8 Ų79.88%0.08445%0.452CS..SBendtrans-120.5143.9177.9-59.7172.7000106.8F83 C97 F101F83-L99 HydrophobicContact CE1-CD2 3.84Å; F83-L99 HydrophobicContact CE2-CD2 4.37Å; F83-L99 HydrophobicContact CZ-CD1 4.42Å; F83-L99 HydrophobicContact CZ-CD2 3.57Å; C97-L99 PolarHBondContact O-N 3.33Å; L99-F101 HydrophobicContact CB-CD2 3.6Å; L99-F101 HydrophobicContact CB-CE2 4.1Å; L99-F101 HydrophobicContact CD1-CD2 4.5Å; L99-F101 PolarHBondContact O-N 2.93Å
100G43.1Very low61.7Low66 Ų6679 Ų7968%0.6844%0.439SS*.SBendtrans-59.118.5-177.900000116.5
101F50.2Low64.2Low55 Ų5572.1 Ų72.124%0.24140%0.404CS..SBendtrans-84.6128.7165.5-56.2-74.8000109.8P77 C97 L99 S103P77-F101 HydrophobicContact CB-CB 3.92Å; P77-F101 HydrophobicContact CB-CD1 3.44Å; P77-F101 VanDerWaalsContact CB-CD1 3.44Å; P77-F101 HydrophobicContact CB-CD2 3.53Å; P77-F101 HydrophobicContact CB-CE1 3.72Å; P77-F101 HydrophobicContact CB-CE2 3.83Å; P77-F101 HydrophobicContact CB-CG 3.35Å; P77-F101 HydrophobicContact CB-CZ 3.91Å; P77-F101 HydrophobicContact CG-CD2 4.07Å; P77-F101 HydrophobicContact CG-CE2 4.39Å; P77-F101 HydrophobicContact CG-CG 4.27Å; C97-F101 PolarHBondContact SG-O 3.04Å; L99-F101 HydrophobicContact CB-CD2 3.6Å; L99-F101 HydrophobicContact CB-CE2 4.1Å; L99-F101 HydrophobicContact CD1-CD2 4.5Å; L99-F101 PolarHBondContact O-N 2.93Å; F101-S103 PolarHBondContact O-N 2.61Å
102N58.3Low66.7Low167 Ų16765 Ų6589%0.89337%0.367SS*.  trans-71.966.7162.5-76.5-17.5000108.9K104N102-K104 PolarHBondContact O-N 3.49Å
103S67.5Low69.2Low21 Ų2162.4 Ų62.415%0.14734%0.34CS..  trans-71.8123.7168.6-71.80000108.3D75 F101D75-S103 WeakPolarHBondContact O-CA 3.13Å; D75-S103 WeakPolarHBondContact O-CB 3.37Å; D75-S103 PolarHBondContact O-OG 3.33Å; F101-S103 PolarHBondContact O-N 2.61Å
104K84.8Confident71.8Confident109 Ų10962 Ų6247%0.47433%0.33SS..  trans-111.3129-178.3-166.3-174.3-174.7-164.40108.5D75 N102 E106D75-K104 HydrophobicContact CB-CB 4.49Å; D75-K104 PolarHBondContact N-O 3.11Å; N102-K104 PolarHBondContact O-N 3.49Å; K104-E106 WeakPolarHBondContact CE-OE2 3.12Å; K104-E106 IonicContact NZ-OE2 3.02Å; K104-E106 PolarHBondContact NZ-OE2 3.25Å
105V92.2Very high74.3Confident15 Ų1557.2 Ų57.29%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-108.3122.2166.7178.80000106.8I32 H34 L72 N73 V74 L385I32-V105 HydrophobicContact CG2-CG2 4.16Å; H34-V105 HydrophobicContact CB-CB 4.15Å; H34-V105 HydrophobicContact CB-CG1 4.37Å; H34-V105 HydrophobicContact CB-CG2 4.13Å; L72-V105 HydrophobicContact CB-CG1 4.26Å; L72-V105 HydrophobicContact CD1-CG1 3.85Å; N73-V105 VanDerWaalsContact O-CA 3.29Å; N73-V105 WeakPolarHBondContact O-CA 3.46Å; V74-V105 HydrophobicContact CG1-CG2 4.16Å; V74-V105 HydrophobicContact CG2-CG1 4.26Å; V74-V105 HydrophobicContact CG2-CG2 4.11Å; V105-L385 HydrophobicContact CG1-CD2 4.19Å
106E93.9Very high77Confident77 Ų7752.7 Ų52.736%0.3629%0.291SS..EExtended strand (participates in β ladder)trans-139148.6-18067178-171.300111.9L72 N73 K104 S108L72-E106 CarbonylContact C-O 3.54Å; L72-E106 WeakPolarHBondContact CA-O 3.48Å; N73-E106 HydrophobicContact CB-CG 3.88Å; N73-E106 PolarHBondContact N-O 2.66Å; N73-E106 PolarHBondContact O-N 2.79Å; K104-E106 WeakPolarHBondContact CE-OE2 3.12Å; K104-E106 IonicContact NZ-OE2 3.02Å; K104-E106 PolarHBondContact NZ-OE2 3.25Å; E106-S108 PolarHBondContact O-N 3.13Å
107I94.3Very high79.7Confident81 Ų8151.4 Ų51.442%0.41528%0.278SS..EExtended strand (participates in β ladder)trans-74.7113.3174.4-58.6165.4000108.3M70 L72 R110M70-I107 HydrophobicContact CE-CD1 4.46Å; M70-I107 HydrophobicContact SD-CD1 3.73Å; M70-I107 HydrophobicContact SD-CG1 4.1Å; M70-I107 HydrophobicContact SD-CG2 4.32Å; L72-I107 HydrophobicContact CD2-CB 4.21Å; L72-I107 HydrophobicContact CD2-CG1 3.54Å; I107-R110 HydrophobicContact CG2-CB 4.15Å; I107-R110 HydrophobicContact CG2-CG 4.4Å
108S93.6Very high82.4Confident54 Ų5450.4 Ų50.438%0.37827%0.27SS..EExtended strand (participates in β ladder)trans-94.5-25.617864.80000112.8I71 N73 E106I71-S108 PolarHBondContact O-N 3.33Å; I71-S108 PolarHBondContact O-OG 3.17Å; N73-S108 WeakPolarHBondContact ND2-CB 3.41Å; N73-S108 VanDerWaalsContact OD1-CB 3.24Å; N73-S108 WeakPolarHBondContact OD1-CB 3.35Å; N73-S108 PolarHBondContact OD1-OG 3.32Å; E106-S108 PolarHBondContact O-N 3.13Å
109W94.5Very high84.8Confident33 Ų3349.4 Ų49.413%0.12526%0.264CS..EExtended strand (participates in β ladder)trans-150.2144.4177.3-179.596.5000110.4L69 M70 I71 I111 T144 K146L69-W109 HydrophobicContact CD2-CH2 4.25Å; L69-W109 HydrophobicContact CD2-CZ3 4.12Å; L69-W109 HydrophobicContact CG-CZ3 4.06Å; M70-W109 CarbonylContact C-O 3.53Å; M70-W109 WeakPolarHBondContact CA-O 2.86Å; I71-W109 HydrophobicContact CB-CB 4.14Å; I71-W109 HydrophobicContact CD1-CB 4.36Å; I71-W109 HydrophobicContact CD1-CD2 4.33Å; I71-W109 HydrophobicContact CD1-CE3 4.02Å; I71-W109 HydrophobicContact CG1-CE3 3.89Å; I71-W109 PolarHBondContact N-O 3.16Å; I71-W109 PolarHBondContact O-N 3.47Å; W109-I111 HydrophobicContact CH2-CB 3.77Å; W109-I111 HydrophobicContact CH2-CG2 3.35Å; W109-I111 HydrophobicContact CZ2-CB 3.93Å; W109-I111 HydrophobicContact CZ2-CG2 4.01Å; W109-I111 HydrophobicContact CZ3-CB 4.38Å; W109-I111 HydrophobicContact CZ3-CG2 3.9Å; W109-T144 HydrophobicContact CH2-CG2 4.38Å; W109-T144 HydrophobicContact CZ3-CG2 4.46Å; W109-T144 PolarHBondContact NE1-O 2.82Å; W109-T144 VanDerWaalsContact NE1-O 3.16Å; W109-K146 PolarHBondContact NE1-O 3.29Å
110R95.1Very high87.2Confident125 Ų12548.7 Ų48.747%0.47226%0.26SS..EExtended strand (participates in β ladder)trans-153.1148.517165.8179.1-176.4-178.22.7111.4Y68 L69 M70 I107Y68-R110 HydrophobicContact CD1-CB 4.47Å; Y68-R110 HydrophobicContact CD1-CG 4.44Å; L69-R110 CarbonylContact O-C 3.57Å; L69-R110 VanDerWaalsContact O-CA 3.29Å; L69-R110 WeakPolarHBondContact O-CA 3.38Å; M70-R110 HydrophobicContact CB-CB 4.31Å; M70-R110 HydrophobicContact CG-CB 3.8Å; I107-R110 HydrophobicContact CG2-CB 4.15Å; I107-R110 HydrophobicContact CG2-CG 4.4Å
111I95.6Very high89.9Confident10 Ų1046.9 Ų46.95%0.05123%0.233CC..EExtended strand (participates in β ladder)trans-133142.1172.1-163.9165.7000109.9Y68 L69 W109 H113 F142 A148Y68-I111 VanDerWaalsContact CA-O 3.26Å; Y68-I111 WeakPolarHBondContact CA-O 3.25Å; L69-I111 HydrophobicContact CB-CG2 4.01Å; L69-I111 PolarHBondContact N-O 3.15Å; L69-I111 VanDerWaalsContact N-O 3.08Å; L69-I111 PolarHBondContact O-N 3.2Å; W109-I111 HydrophobicContact CH2-CB 3.77Å; W109-I111 HydrophobicContact CH2-CG2 3.35Å; W109-I111 HydrophobicContact CZ2-CB 3.93Å; W109-I111 HydrophobicContact CZ2-CG2 4.01Å; W109-I111 HydrophobicContact CZ3-CB 4.38Å; W109-I111 HydrophobicContact CZ3-CG2 3.9Å; I111-H113 PolarHBondContact O-N 2.8Å; I111-F142 HydrophobicContact CD1-CD1 4.02Å; I111-F142 HydrophobicContact CD1-CE1 4.17Å; I111-F142 HydrophobicContact CG2-CD1 3.96Å; I111-F142 HydrophobicContact CG2-CE1 4Å; I111-A148 HydrophobicContact CG1-CB 4.19Å
112P95.6Very high92.1Very high13 Ų1345.5 Ų45.58%0.08423%0.226CC..EExtended strand (participates in β ladder)trans-56.1134.3171.6-23.934.1000110.8Q66 Y68 C154Q66-P112 HydrophobicContact CG-CB 4.34Å; Y68-P112 HydrophobicContact CD1-CG 4.5Å; Y68-P112 HydrophobicContact CE1-CB 4.45Å; Y68-P112 HydrophobicContact CE1-CG 4.13Å; P112-C154 WeakPolarHBondContact O-CA 3.38Å
113H95.5Very high94.1Very high1 Ų138.2 Ų38.21%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-114.5147.9178.5-166.2-82.3000110.3Q66 N67 I111 G115 V117 T132 F140 F142Q66-H113 PolarHBondContact NE2-O 2.95Å; N67-H113 HydrophobicContact CB-CB 4.43Å; N67-H113 PolarHBondContact O-N 2.83Å; I111-H113 PolarHBondContact O-N 2.8Å; H113-G115 PolarHBondContact ND1-O 3.02Å; H113-G115 PolarHBondContact O-N 3.45Å; H113-V117 HydrophobicContact CB-CG2 4.11Å; H113-T132 PolarHBondContact NE2-OG1 3.14Å; H113-F140 AromaticContact CE1-CD2 3.69Å; H113-F140 AromaticContact CE1-CE2 3.91Å; H113-F140 AromaticContact NE2-CD2 3.47Å; H113-F140 WeakPolarHBondContact NE2-CD2 3.44Å; H113-F142 AromaticContact CD2-CE2 3.64Å; H113-F142 AromaticContact CD2-CZ 3.81Å; H113-F142 AromaticContact NE2-CE2 3.88Å
114E93.5Very high95.5Very high74 Ų7439.3 Ų39.335%0.34619%0.194SC..SBendtrans-85.8107.7176-173.2-177.113900108.7S134 S136 F140 C154 R159E114-S134 PolarHBondContact O-OG 2.76Å; E114-S136 PolarHBondContact OE1-OG 3.15Å; E114-S136 VanDerWaalsContact OE1-OG 3.11Å; E114-F140 HydrophobicContact CB-CE2 3.98Å; E114-F140 HydrophobicContact CB-CZ 4.03Å; E114-F140 HydrophobicContact CG-CZ 4.47Å; E114-C154 HydrophobicContact CB-CB 4.05Å; E114-R159 IonicContact OE2-CZ 3.69Å; E114-R159 IonicContact OE2-NH1 3.33Å; E114-R159 PolarHBondContact OE2-NH1 2.96Å; E114-R159 IonicContact OE2-NH2 2.78Å; E114-R159 PolarHBondContact OE2-NH2 3.18Å
115G94.2Very high96.1Very high28 Ų2837.6 Ų37.629%0.28919%0.188SC..SBendtrans71.5174.3-170.400000113.2N67 H113N67-G115 WeakPolarHBondContact CB-O 3.38Å; H113-G115 PolarHBondContact ND1-O 3.02Å; H113-G115 PolarHBondContact O-N 3.45Å
116E96.5Very high96.3Very high43 Ų4339.4 Ų39.420%0.20120%0.197CC..  trans-61.1153.3172.758.4-89.4-146.600112T60 H61 N67 S134 P135T60-E116 WeakPolarHBondContact O-CA 3.26Å; T60-E116 WeakPolarHBondContact O-CB 3.24Å; H61-E116 HydrophobicContact CB-CB 4.22Å; N67-E116 PolarHBondContact ND2-N 2.72Å; E116-S134 WeakPolarHBondContact O-CA 3.49Å; E116-S134 WeakPolarHBondContact O-CB 3.45Å; E116-P135 HydrophobicContact CG-CG 3.77Å; E116-P135 WeakPolarHBondContact O-CD 3.22Å; E116-P135 VanDerWaalsContact OE1-CG 3.26Å; E116-P135 WeakPolarHBondContact OE1-CG 3.22Å
117V97.9Very high96.5Very high0 Ų037.6 Ų37.60%019%0.192CC..  trans-98.295.2-178.4-173.10000108.9T42 T60 L69 H113 R119 A120 T132T42-V117 HydrophobicContact CG2-CB 4.46Å; T42-V117 HydrophobicContact CG2-CG1 3.92Å; T60-V117 PolarHBondContact O-N 3.42Å; T60-V117 VanDerWaalsContact O-N 3.08Å; L69-V117 HydrophobicContact CD1-CG1 4.47Å; H113-V117 HydrophobicContact CB-CG2 4.11Å; V117-R119 VanDerWaalsContact C-N 3.35Å; V117-R119 PolarHBondContact O-N 2.88Å; V117-A120 HydrophobicContact CG1-CB 3.95Å; V117-T132 HydrophobicContact CG1-CG2 4.06Å
118N98.1Very high96.5Very high19 Ų1939 Ų3910%0.10220%0.195CC..SBendtrans-63.9-41.5179.5-66.5-10.5000111.8I133 E166 G167N118-I133 HydrophobicContact CB-CG2 4.07Å; N118-I133 PolarHBondContact N-O 2.81Å; N118-E166 PolarHBondContact ND2-OE1 2.97Å; N118-G167 PolarHBondContact ND2-O 2.92Å
119R98.6Very high96.7Very high31 Ų3138.2 Ų38.212%0.11719%0.186CC..EExtended strand (participates in β ladder)trans-151.3137.5176-160.7169.3-72.6-159.12.4110.7V117 R121 T132 I133 Y168 L170 D219V117-R119 VanDerWaalsContact C-N 3.35Å; V117-R119 PolarHBondContact O-N 2.88Å; R119-R121 HydrophobicContact CG-CG 4.28Å; R119-T132 VanDerWaalsContact O-CA 3.25Å; R119-T132 WeakPolarHBondContact O-CA 3.33Å; R119-I133 HydrophobicContact CB-CG2 3.76Å; R119-I133 PolarHBondContact N-O 2.86Å; R119-I133 PolarHBondContact O-N 2.98Å; R119-Y168 WeakPolarHBondContact CD-O 3.25Å; R119-Y168 PolarHBondContact NE-O 3.22Å; R119-L170 HydrophobicContact CB-CB 4.26Å; R119-L170 HydrophobicContact CG-CB 4.14Å; R119-D219 IonicContact CZ-OD1 3.04Å; R119-D219 IonicContact CZ-OD2 3.83Å; R119-D219 IonicContact NH1-OD1 3.6Å; R119-D219 PolarHBondContact NH1-OD1 3.32Å; R119-D219 IonicContact NH1-OD2 3.55Å; R119-D219 PolarHBondContact NH1-OD2 3.34Å; R119-D219 IonicContact NH2-OD2 3.18Å
120A98.6Very high96.9Very high0 Ų036.7 Ų36.70%018%0.18CC..EExtended strand (participates in β ladder)trans-128.2129.5172.900000109.9T42 I57 L69 V117 V130 A131 T132T42-A120 HydrophobicContact CG2-CB 3.89Å; T42-A120 PolarHBondContact OG1-N 3.15Å; T42-A120 PolarHBondContact OG1-O 3.37Å; I57-A120 HydrophobicContact CG2-CB 3.69Å; L69-A120 HydrophobicContact CD1-CB 3.79Å; V117-A120 HydrophobicContact CG1-CB 3.95Å; A120-V130 HydrophobicContact CB-CG1 4.29Å; A120-A131 WeakPolarHBondContact CA-O 3.37Å; A120-T132 HydrophobicContact CB-CG2 3.86Å
121R98.7Very high97.1Very high29 Ų2930.7 Ų30.711%0.10916%0.157CC..EExtended strand (participates in β ladder)trans-137.8134.8178.4-62.3-66179.9-102.611111T42 Q44 R119 A131 L170 W172 D365T42-R121 PolarHBondContact OG1-NH1 2.85Å; Q44-R121 VanDerWaalsContact OE1-CA 3.26Å; R119-R121 HydrophobicContact CG-CG 4.28Å; R121-A131 PolarHBondContact N-O 3.02Å; R121-A131 PolarHBondContact O-N 3.05Å; R121-L170 HydrophobicContact CB-CD2 4.29Å; R121-L170 HydrophobicContact CG-CD2 4.39Å; R121-W172 PolarHBondContact O-NE1 3.48Å; R121-D365 IonicContact CZ-OD2 3.86Å; R121-D365 IonicContact NH1-OD2 3.3Å; R121-D365 PolarHBondContact NH1-OD2 2.75Å; R121-D365 IonicContact NH2-OD1 3.96Å; R121-D365 PolarHBondContact NH2-OD1 3.15Å; R121-D365 IonicContact NH2-OD2 3.79Å; R121-D365 PolarHBondContact NH2-OD2 2.98Å
122Y98.4Very high97.2Very high25 Ų2530.2 Ų30.210%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-80.2150.1173.273.8-95.9000111.7Q44 W45 L46 P47 I57 P124 P127 M129 W172Q44-Y122 VanDerWaalsContact CD-CE1 3.45Å; Q44-Y122 HydrophobicContact CG-CD1 4.15Å; Q44-Y122 HydrophobicContact CG-CE1 4.02Å; W45-Y122 WeakPolarHBondContact O-CE1 3.39Å; L46-Y122 HydrophobicContact CD2-CD1 3.95Å; L46-Y122 HydrophobicContact CD2-CG 4.12Å; P47-Y122 HydrophobicContact CG-CE2 4.13Å; I57-Y122 HydrophobicContact CD1-CD1 4.38Å; Y122-P124 WeakPolarHBondContact O-CD 3.47Å; Y122-P127 HydrophobicContact CD2-CB 3.73Å; Y122-P127 HydrophobicContact CD2-CG 4.05Å; Y122-P127 HydrophobicContact CE2-CB 4.29Å; Y122-P127 HydrophobicContact CE2-CG 4.23Å; Y122-P127 HydrophobicContact CG-CB 4.28Å; Y122-M129 WeakPolarHBondContact CA-O 3.48Å; Y122-W172 VanDerWaalsContact C-CD1 3.44Å; Y122-W172 PolarHBondContact O-NE1 3.43Å
123M98.3Very high97.3Very high15 Ų1529.7 Ų29.77%0.07415%0.151CC..EExtended strand (participates in β ladder)trans-74.5121.2174177.7173.8154.600110.3Q125 D126 P127 M129 W172 P177 I194M123-Q125 HydrophobicContact CE-CB 3.9Å; M123-Q125 VanDerWaalsContact CG-OE1 3.32Å; M123-Q125 PolarHBondContact O-N 2.81Å; M123-Q125 VanDerWaalsContact O-N 3.09Å; M123-D126 CarbonylContact O-C 3.05Å; M123-D126 PolarHBondContact O-N 2.82Å; M123-D126 VanDerWaalsContact O-N 3.08Å; M123-P127 WeakPolarHBondContact O-CA 3.28Å; M123-P127 VanDerWaalsContact O-N 3.17Å; M123-M129 HydrophobicContact CB-CB 4.24Å; M123-M129 PolarHBondContact N-O 3.08Å; M123-W172 HydrophobicContact CB-CD2 3.83Å; M123-W172 HydrophobicContact CB-CE3 4.04Å; M123-W172 HydrophobicContact CB-CG 4.36Å; M123-W172 HydrophobicContact CB-CH2 4.24Å; M123-W172 HydrophobicContact CB-CZ2 4Å; M123-W172 HydrophobicContact CB-CZ3 4.26Å; M123-W172 HydrophobicContact CG-CD2 4.19Å; M123-W172 HydrophobicContact CG-CE3 3.97Å; M123-W172 HydrophobicContact CG-CZ3 4.24Å; M123-W172 HydrophobicContact SD-CE3 4.3Å; M123-W172 HydrophobicContact SD-CH2 4.45Å; M123-W172 HydrophobicContact SD-CZ3 4.04Å; M123-P177 HydrophobicContact CE-CB 3.48Å; M123-P177 VanDerWaalsContact CE-CB 3.48Å; M123-I194 HydrophobicContact SD-CD1 3.95Å
124P97.3Very high97.4Very high44 Ų4429.7 Ų29.729%0.28615%0.151SC..THydrogen-bonded Turntrans-54-35.8-174.5-29.635.9000115Y122 W172 R174Y122-P124 WeakPolarHBondContact O-CD 3.47Å; P124-W172 VanDerWaalsContact CD-CB 3.49Å; P124-W172 HydrophobicContact CG-CB 4.27Å; P124-R174 HydrophobicContact CG-CG 4.33Å
125Q97.4Very high97.5Very high72 Ų7228.2 Ų28.234%0.33615%0.148SC..THydrogen-bonded Turntrans-87-20.3-176.3-49.386.8-11.900113.2M123 N173 R174 P177M123-Q125 HydrophobicContact CE-CB 3.9Å; M123-Q125 VanDerWaalsContact CG-OE1 3.32Å; M123-Q125 PolarHBondContact O-N 2.81Å; M123-Q125 VanDerWaalsContact O-N 3.09Å; Q125-N173 PolarHBondContact NE2-O 3.17Å; Q125-R174 PolarHBondContact NE2-O 3.42Å; Q125-P177 HydrophobicContact CB-CB 4.36Å; Q125-P177 HydrophobicContact CB-CG 4.4Å; Q125-P177 HydrophobicContact CG-CB 4.35Å; Q125-P177 HydrophobicContact CG-CG 4.08Å
126D97.2Very high97.5Very high53 Ų5327.9 Ų27.928%0.28314%0.141SC..EExtended strand (participates in β ladder)trans-143.486.3170.5-174.29000110.1M123 K128 M129M123-D126 CarbonylContact O-C 3.05Å; M123-D126 PolarHBondContact O-N 2.82Å; M123-D126 VanDerWaalsContact O-N 3.08Å; D126-K128 PolarHBondContact O-N 3.01Å; D126-K128 WeakPolarHBondContact OD1-CB 3.23Å; D126-K128 PolarHBondContact OD1-N 2.75Å; D126-M129 HydrophobicContact CB-CG 4.44Å; D126-M129 PolarHBondContact O-N 3.46Å
127P97.1Very high97.5Very high39 Ų3928.6 Ų28.625%0.25315%0.149SC..EExtended strand (participates in β ladder)trans-62.3-7.8-174.5-25.334.8000115.2P47 Y122 M123 M129P47-P127 HydrophobicContact CG-CB 3.62Å; P47-P127 HydrophobicContact CG-CG 3.41Å; P47-P127 VanDerWaalsContact CG-CG 3.41Å; Y122-P127 HydrophobicContact CD2-CB 3.73Å; Y122-P127 HydrophobicContact CD2-CG 4.05Å; Y122-P127 HydrophobicContact CE2-CB 4.29Å; Y122-P127 HydrophobicContact CE2-CG 4.23Å; Y122-P127 HydrophobicContact CG-CB 4.28Å; M123-P127 WeakPolarHBondContact O-CA 3.28Å; M123-P127 VanDerWaalsContact O-N 3.17Å; P127-M129 VanDerWaalsContact C-N 3.27Å
128K96.1Very high97.4Very high110 Ų11029.5 Ų29.548%0.47815%0.153SC..EExtended strand (participates in β ladder)trans-71.7-27.8173.3-62.7166-176.2169.70111.9D126 T144 T145D126-K128 PolarHBondContact O-N 3.01Å; D126-K128 WeakPolarHBondContact OD1-CB 3.23Å; D126-K128 PolarHBondContact OD1-N 2.75Å; K128-T144 VanDerWaalsContact CA-OG1 3.29Å; K128-T144 WeakPolarHBondContact CA-OG1 3.36Å; K128-T144 WeakPolarHBondContact O-CG2 3.46Å; K128-T144 PolarHBondContact O-N 3.35Å; K128-T144 PolarHBondContact O-OG1 3.21Å; K128-T145 HydrophobicContact CB-CG2 4.23Å; K128-T145 HydrophobicContact CD-CG2 3.67Å; K128-T145 HydrophobicContact CG-CG2 3.87Å
129M97.5Very high97.4Very high39 Ų3928.6 Ų28.619%0.19215%0.149CC..EExtended strand (participates in β ladder)trans-87.2119.5178.6-60.6-62.2151.800109.2Y122 M123 D126 P127 F142 D143Y122-M129 WeakPolarHBondContact CA-O 3.48Å; M123-M129 HydrophobicContact CB-CB 4.24Å; M123-M129 PolarHBondContact N-O 3.08Å; D126-M129 HydrophobicContact CB-CG 4.44Å; D126-M129 PolarHBondContact O-N 3.46Å; P127-M129 VanDerWaalsContact C-N 3.27Å; M129-F142 WeakPolarHBondContact CA-O 3.43Å; M129-D143 HydrophobicContact CE-CB 3.85Å; M129-D143 HydrophobicContact SD-CB 4.02Å
130V98.4Very high97.3Very high0 Ų027.1 Ų27.10%014%0.143CC..EExtended strand (participates in β ladder)trans-119.3124.4-179.6177.50000108.8I57 L69 A120 T132 I141 F142 T144I57-V130 HydrophobicContact CD1-CG1 4.13Å; I57-V130 HydrophobicContact CD1-CG2 3.62Å; I57-V130 HydrophobicContact CG1-CG2 4.47Å; I57-V130 HydrophobicContact CG2-CG1 4.45Å; L69-V130 HydrophobicContact CD1-CG1 4.45Å; L69-V130 HydrophobicContact CD2-CB 4.46Å; L69-V130 HydrophobicContact CD2-CG1 4.06Å; A120-V130 HydrophobicContact CB-CG1 4.29Å; V130-T132 HydrophobicContact CG1-CG2 4.24Å; V130-I141 CarbonylContact O-C 3.58Å; V130-I141 WeakPolarHBondContact O-CA 3.42Å; V130-F142 PolarHBondContact N-O 3.49Å; V130-F142 PolarHBondContact O-N 2.87Å; V130-T144 HydrophobicContact CB-CG2 4.36Å; V130-T144 HydrophobicContact CG2-CG2 3.55Å
131A98.6Very high97.3Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-88144.1168.600000109.8A120 R121 F140 I141 L170 W172 L180A120-A131 WeakPolarHBondContact CA-O 3.37Å; R121-A131 PolarHBondContact N-O 3.02Å; R121-A131 PolarHBondContact O-N 3.05Å; A131-F140 CarbonylContact C-O 3.59Å; A131-F140 VanDerWaalsContact CA-O 3.25Å; A131-F140 WeakPolarHBondContact CA-O 3.3Å; A131-I141 HydrophobicContact CB-CD1 3.57Å; A131-L170 HydrophobicContact CB-CD1 4.22Å; A131-L170 HydrophobicContact CB-CD2 3.83Å; A131-L170 HydrophobicContact CB-CG 4.33Å; A131-L170 WeakPolarHBondContact O-CD2 3.34Å; A131-W172 HydrophobicContact CB-CH2 4.26Å; A131-W172 HydrophobicContact CB-CZ2 3.36Å; A131-L180 HydrophobicContact CB-CD1 3.96Å; A131-L180 HydrophobicContact CB-CD2 3.66Å; A131-L180 HydrophobicContact CB-CG 4.5Å
132T98.6Very high97.2Very high0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-134.3145.8172630000111.5L69 H113 V117 R119 A120 V130 V139 F140 F142L69-T132 HydrophobicContact CD1-CG2 3.77Å; L69-T132 HydrophobicContact CD2-CG2 3.8Å; L69-T132 HydrophobicContact CG-CG2 4.3Å; H113-T132 PolarHBondContact NE2-OG1 3.14Å; V117-T132 HydrophobicContact CG1-CG2 4.06Å; R119-T132 VanDerWaalsContact O-CA 3.25Å; R119-T132 WeakPolarHBondContact O-CA 3.33Å; A120-T132 HydrophobicContact CB-CG2 3.86Å; V130-T132 HydrophobicContact CG1-CG2 4.24Å; T132-V139 VanDerWaalsContact O-CG1 3.3Å; T132-V139 WeakPolarHBondContact O-CG1 3.3Å; T132-F140 PolarHBondContact N-O 3.11Å; T132-F140 PolarHBondContact O-N 3.24Å; T132-F142 HydrophobicContact CG2-CD2 4.21Å; T132-F142 HydrophobicContact CG2-CE2 4.31Å; T132-F142 WeakPolarHBondContact OG1-CE2 3.5Å
133I97.9Very high97Very high2 Ų226 Ų261%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-119.3152.7168.8-158.3160.1000109.8N118 R119 V139 G167N118-I133 HydrophobicContact CB-CG2 4.07Å; N118-I133 PolarHBondContact N-O 2.81Å; R119-I133 HydrophobicContact CB-CG2 3.76Å; R119-I133 PolarHBondContact N-O 2.86Å; R119-I133 PolarHBondContact O-N 2.98Å; I133-V139 HydrophobicContact CD1-CG2 3.94Å; I133-V139 HydrophobicContact CG1-CG2 4.13Å; I133-G167 VanDerWaalsContact CD1-C 3.43Å; I133-G167 VanDerWaalsContact CD1-CA 3.44Å
134S96.2Very high96.9Very high0 Ų026 Ų260%014%0.142CC..  trans-157.7-179.4-16864.30000109.9E114 E116 S136E114-S134 PolarHBondContact O-OG 2.76Å; E116-S134 WeakPolarHBondContact O-CA 3.49Å; E116-S134 WeakPolarHBondContact O-CB 3.45Å; S134-S136 PolarHBondContact O-N 3.07Å; S134-S136 VanDerWaalsContact O-N 3.08Å; S134-S136 WeakPolarHBondContact OG-CB 3.46Å; S134-S136 PolarHBondContact OG-N 3.15Å
135P95.7Very high96.6Very high43 Ų4328 Ų2828%0.27915%0.153SC..SBendtrans-59.8-14.1169.5-23.931.5000115.5E116 E166E116-P135 HydrophobicContact CG-CG 3.77Å; E116-P135 WeakPolarHBondContact O-CD 3.22Å; E116-P135 VanDerWaalsContact OE1-CG 3.26Å; E116-P135 WeakPolarHBondContact OE1-CG 3.22Å; P135-E166 VanDerWaalsContact CA-CD 3.45Å; P135-E166 HydrophobicContact CB-CG 4.39Å; P135-E166 WeakPolarHBondContact CG-OE1 3.1Å
136S94.3Very high96.3Very high21 Ų2128.7 Ų28.715%0.14716%0.155CC..SBendtrans-66.6151.7170.7-162.50000111.1E114 S134 D138E114-S136 PolarHBondContact OE1-OG 3.15Å; E114-S136 VanDerWaalsContact OE1-OG 3.11Å; S134-S136 PolarHBondContact O-N 3.07Å; S134-S136 VanDerWaalsContact O-N 3.08Å; S134-S136 WeakPolarHBondContact OG-CB 3.46Å; S134-S136 PolarHBondContact OG-N 3.15Å; S136-D138 PolarHBondContact O-N 3.03Å
137T96.5Very high95.5Very high58 Ų5835.2 Ų35.236%0.35618%0.181SC..SBendtrans-72.1-18.817558.60000112.9H163T137-H163 WeakPolarHBondContact O-CB 3.31Å
138D96.4Very high94.5Very high19 Ų1935.7 Ų35.710%0.10219%0.188CC..SBendtrans-93.5141.2-178.2-66-8.2000110.4S136 F140 R159 L160S136-D138 PolarHBondContact O-N 3.03Å; D138-F140 HydrophobicContact CB-CD1 4.45Å; D138-F140 HydrophobicContact CB-CE1 3.83Å; D138-F140 HydrophobicContact CB-CZ 4.26Å; D138-R159 IonicContact OD2-NH1 3.38Å; D138-L160 WeakPolarHBondContact CA-O 3.5Å
139V97.9Very high93.5Very high1 Ų132.1 Ų32.11%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-88135.8165.2176.50000108.3T132 I133 L160 L170 L180 W192T132-V139 VanDerWaalsContact O-CG1 3.3Å; T132-V139 WeakPolarHBondContact O-CG1 3.3Å; I133-V139 HydrophobicContact CD1-CG2 3.94Å; I133-V139 HydrophobicContact CG1-CG2 4.13Å; V139-L160 HydrophobicContact CB-CB 4.05Å; V139-L160 HydrophobicContact CB-CD1 4.15Å; V139-L160 HydrophobicContact CB-CG 4.38Å; V139-L160 HydrophobicContact CG1-CD1 3.99Å; V139-L160 PolarHBondContact N-O 2.84Å; V139-L160 VanDerWaalsContact N-O 3.1Å; V139-L160 WeakPolarHBondContact O-CB 3.23Å; V139-L160 PolarHBondContact O-N 3.28Å; V139-L170 HydrophobicContact CG1-CD1 3.97Å; V139-L180 HydrophobicContact CG1-CD2 3.89Å; V139-W192 HydrophobicContact CG2-CH2 3.84Å; V139-W192 HydrophobicContact CG2-CZ2 4.47Å; V139-W192 HydrophobicContact CG2-CZ3 4.3Å
140F97.4Very high92.3Very high0 Ų036.9 Ų36.90%021%0.214CC..EExtended strand (participates in β ladder)trans-105140.1-176.2-56.5-56.7000111.7H113 E114 A131 T132 D138 F142 P156 R159H113-F140 AromaticContact CE1-CD2 3.69Å; H113-F140 AromaticContact CE1-CE2 3.91Å; H113-F140 AromaticContact NE2-CD2 3.47Å; H113-F140 WeakPolarHBondContact NE2-CD2 3.44Å; E114-F140 HydrophobicContact CB-CE2 3.98Å; E114-F140 HydrophobicContact CB-CZ 4.03Å; E114-F140 HydrophobicContact CG-CZ 4.47Å; A131-F140 CarbonylContact C-O 3.59Å; A131-F140 VanDerWaalsContact CA-O 3.25Å; A131-F140 WeakPolarHBondContact CA-O 3.3Å; T132-F140 PolarHBondContact N-O 3.11Å; T132-F140 PolarHBondContact O-N 3.24Å; D138-F140 HydrophobicContact CB-CD1 4.45Å; D138-F140 HydrophobicContact CB-CE1 3.83Å; D138-F140 HydrophobicContact CB-CZ 4.26Å; F140-F142 HydrophobicContact CB-CD2 4.15Å; F140-F142 HydrophobicContact CB-CE2 3.45Å; F140-F142 VanDerWaalsContact CB-CE2 3.45Å; F140-F142 HydrophobicContact CB-CZ 4Å; F140-F142 HydrophobicContact CG-CE2 4.29Å; F140-F142 HydrophobicContact CG-CZ 4.48Å; F140-P156 HydrophobicContact CB-CB 3.95Å; F140-P156 HydrophobicContact CB-CG 4.46Å; F140-P156 HydrophobicContact CD1-CB 4.17Å; F140-P156 HydrophobicContact CD1-CG 3.75Å; F140-P156 HydrophobicContact CE1-CG 4.42Å; F140-P156 HydrophobicContact CG-CB 4.38Å; F140-P156 HydrophobicContact CG-CG 4.37Å; F140-R159 HydrophobicContact CD1-CG 3.94Å; F140-R159 HydrophobicContact CE1-CG 4Å
141I97.4Very high90.9Very high3 Ų341.7 Ų41.72%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-110.3128.9169.5-53.8-56.6000108.9V130 A131 P156 E157 R158 L160 W172 L180 I194V130-I141 CarbonylContact O-C 3.58Å; V130-I141 WeakPolarHBondContact O-CA 3.42Å; A131-I141 HydrophobicContact CB-CD1 3.57Å; I141-P156 CarbonylContact O-C 3.51Å; I141-P156 WeakPolarHBondContact O-CB 3.42Å; I141-E157 WeakPolarHBondContact O-CA 3.25Å; I141-E157 WeakPolarHBondContact O-CB 3.18Å; I141-E157 PolarHBondContact O-N 2.94Å; I141-R158 HydrophobicContact CB-CB 3.97Å; I141-R158 HydrophobicContact CB-CG 4.46Å; I141-R158 HydrophobicContact CG1-CB 4Å; I141-R158 PolarHBondContact N-O 2.88Å; I141-R158 PolarHBondContact O-N 2.85Å; I141-L160 HydrophobicContact CD1-CD1 3.93Å; I141-L160 HydrophobicContact CG1-CD1 4.08Å; I141-L160 HydrophobicContact CG1-CD2 4.24Å; I141-L160 HydrophobicContact CG1-CG 4.17Å; I141-W172 HydrophobicContact CD1-CH2 3.77Å; I141-W172 HydrophobicContact CD1-CZ2 3.96Å; I141-L180 HydrophobicContact CD1-CD2 4.02Å; I141-I194 HydrophobicContact CD1-CG2 4.11Å; I141-I194 HydrophobicContact CG1-CG2 4.06Å
142F96.6Very high89.5Confident2 Ų244.1 Ų44.11%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-118.7141.2177.3-66.7-84.2000111.3L69 I111 H113 M129 V130 T132 F140 P156L69-F142 HydrophobicContact CD2-CB 4.08Å; L69-F142 HydrophobicContact CD2-CD2 3.69Å; L69-F142 HydrophobicContact CD2-CE2 4.32Å; L69-F142 HydrophobicContact CD2-CG 3.97Å; I111-F142 HydrophobicContact CD1-CD1 4.02Å; I111-F142 HydrophobicContact CD1-CE1 4.17Å; I111-F142 HydrophobicContact CG2-CD1 3.96Å; I111-F142 HydrophobicContact CG2-CE1 4Å; H113-F142 AromaticContact CD2-CE2 3.64Å; H113-F142 AromaticContact CD2-CZ 3.81Å; H113-F142 AromaticContact NE2-CE2 3.88Å; M129-F142 WeakPolarHBondContact CA-O 3.43Å; V130-F142 PolarHBondContact N-O 3.49Å; V130-F142 PolarHBondContact O-N 2.87Å; T132-F142 HydrophobicContact CG2-CD2 4.21Å; T132-F142 HydrophobicContact CG2-CE2 4.31Å; T132-F142 WeakPolarHBondContact OG1-CE2 3.5Å; F140-F142 HydrophobicContact CB-CD2 4.15Å; F140-F142 HydrophobicContact CB-CE2 3.45Å; F140-F142 VanDerWaalsContact CB-CE2 3.45Å; F140-F142 HydrophobicContact CB-CZ 4Å; F140-F142 HydrophobicContact CG-CE2 4.29Å; F140-F142 HydrophobicContact CG-CZ 4.48Å; F142-P156 HydrophobicContact CD1-CB 4.15Å; F142-P156 HydrophobicContact CE1-CB 3.77Å; F142-P156 HydrophobicContact CE2-CB 4.36Å; F142-P156 HydrophobicContact CZ-CB 3.89Å
143D95.5Very high88.8Confident24 Ų2445.7 Ų45.713%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-96.2110.4166177.6-6.1000109M129 T145 K146 E157M129-D143 HydrophobicContact CE-CB 3.85Å; M129-D143 HydrophobicContact SD-CB 4.02Å; D143-T145 VanDerWaalsContact CG-OG1 3.24Å; D143-T145 PolarHBondContact O-N 3.48Å; D143-T145 VanDerWaalsContact O-N 3.14Å; D143-T145 WeakPolarHBondContact OD1-CB 3.41Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.29Å; D143-T145 PolarHBondContact OD1-N 3.33Å; D143-T145 PolarHBondContact OD1-OG1 3.37Å; D143-T145 PolarHBondContact OD2-OG1 3.31Å; D143-K146 HydrophobicContact CB-CD 4.16Å; D143-K146 HydrophobicContact CB-CG 4.11Å; D143-K146 PolarHBondContact O-N 3.37Å; D143-K146 WeakPolarHBondContact OD2-CE 3.41Å; D143-E157 HydrophobicContact CB-CG 3.71Å
144T94.4Very high88.4Confident15 Ų1546.9 Ų46.99%0.09230%0.297CS..THydrogen-bonded Turntrans-67.6-9.2-177.658.10000113.9I71 W109 K128 V130I71-T144 HydrophobicContact CD1-CG2 3.69Å; W109-T144 HydrophobicContact CH2-CG2 4.38Å; W109-T144 HydrophobicContact CZ3-CG2 4.46Å; W109-T144 PolarHBondContact NE1-O 2.82Å; W109-T144 VanDerWaalsContact NE1-O 3.16Å; K128-T144 VanDerWaalsContact CA-OG1 3.29Å; K128-T144 WeakPolarHBondContact CA-OG1 3.36Å; K128-T144 WeakPolarHBondContact O-CG2 3.46Å; K128-T144 PolarHBondContact O-N 3.35Å; K128-T144 PolarHBondContact O-OG1 3.21Å; V130-T144 HydrophobicContact CB-CG2 4.36Å; V130-T144 HydrophobicContact CG2-CG2 3.55Å
145T92.3Very high88.1Confident86 Ų8651.3 Ų51.353%0.52832%0.321SS..THydrogen-bonded Turntrans-82.3-17.1172.971.30000112.8K128 D143K128-T145 HydrophobicContact CB-CG2 4.23Å; K128-T145 HydrophobicContact CD-CG2 3.67Å; K128-T145 HydrophobicContact CG-CG2 3.87Å; D143-T145 VanDerWaalsContact CG-OG1 3.24Å; D143-T145 PolarHBondContact O-N 3.48Å; D143-T145 VanDerWaalsContact O-N 3.14Å; D143-T145 WeakPolarHBondContact OD1-CB 3.41Å; D143-T145 WeakPolarHBondContact OD1-CG2 3.29Å; D143-T145 PolarHBondContact OD1-N 3.33Å; D143-T145 PolarHBondContact OD1-OG1 3.37Å; D143-T145 PolarHBondContact OD2-OG1 3.31Å
146K90.1Very high88Confident88 Ų8849.9 Ų49.938%0.38331%0.311SS..SBendtrans-84.6146.7179.5-63.2-172.3-173.7-172.10110.9W109 D143 E157W109-K146 PolarHBondContact NE1-O 3.29Å; D143-K146 HydrophobicContact CB-CD 4.16Å; D143-K146 HydrophobicContact CB-CG 4.11Å; D143-K146 PolarHBondContact O-N 3.37Å; D143-K146 WeakPolarHBondContact OD2-CE 3.41Å; K146-E157 WeakPolarHBondContact CD-OE1 3.29Å; K146-E157 VanDerWaalsContact CE-OE1 3.25Å; K146-E157 WeakPolarHBondContact CE-OE1 3.42Å; K146-E157 IonicContact NZ-OE1 2.66Å; K146-E157 PolarHBondContact NZ-OE1 2.99Å; K146-E157 IonicContact NZ-OE2 2.64Å; K146-E157 PolarHBondContact NZ-OE2 3.26Å
147K81.4Confident87.9Confident190 Ų19050.7 Ų50.783%0.82631%0.313SS*.PPolyproline II helixtrans-91.3150.5173.7-66.2-174177.1-175.80109.8S149K147-S149 PolarHBondContact O-N 3.07Å
148A76.5Confident87.8Confident48 Ų4851.5 Ų51.540%0.39731%0.31SS..PPolyproline II helixtrans-50133.5172.700000110.5I111I111-A148 HydrophobicContact CG1-CB 4.19Å
149S74.9Confident87.7Confident35 Ų3552.9 Ų52.925%0.24531%0.313CS..PPolyproline II helixtrans-65.8147.2178.851.10000110.8K147 S151 G152K147-S149 PolarHBondContact O-N 3.07Å; S149-S151 WeakPolarHBondContact CB-OG 3.4Å; S149-S151 PolarHBondContact O-N 3.31Å; S149-S151 PolarHBondContact OG-OG 2.93Å; S149-G152 PolarHBondContact O-N 2.61Å; S149-G152 VanDerWaalsContact O-N 3.08Å
150S71.5Confident87.7Confident139 Ų13952.8 Ų52.897%0.97231%0.313SS*.THydrogen-bonded Turntrans-59.4-15.9177.4-39.70000113.7G152S150-G152 VanDerWaalsContact C-N 3.25Å; S150-G152 PolarHBondContact O-N 3.03Å
151S69.8Low87.6Confident102 Ų10256.9 Ų56.971%0.71333%0.328SS*.THydrogen-bonded Turntrans-72.8-9.6176.852.60000114.3S149 G153S149-S151 WeakPolarHBondContact CB-OG 3.4Å; S149-S151 PolarHBondContact O-N 3.31Å; S149-S151 PolarHBondContact OG-OG 2.93Å; S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 3.35Å
152G69.5Low87.5Confident51 Ų5158 Ų5853%0.52634%0.34SS..  trans71.69.9170.800000116.2S149 S150S149-G152 PolarHBondContact O-N 2.61Å; S149-G152 VanDerWaalsContact O-N 3.08Å; S150-G152 VanDerWaalsContact C-N 3.25Å; S150-G152 PolarHBondContact O-N 3.03Å
153G83.9Confident87.6Confident32 Ų3258.5 Ų58.533%0.3334%0.342SS..SBendtrans-108.4170.1178.900000114S151 N155S151-G153 VanDerWaalsContact C-N 3.26Å; S151-G153 PolarHBondContact O-N 3.35Å; G153-N155 PolarHBondContact O-N 2.82Å
154C87.9Confident87.7Confident28 Ų2862.3 Ų62.319%0.18937%0.367CS..  trans-65.7113.9170.2-1780000109.9P112 E114 P156P112-C154 WeakPolarHBondContact O-CA 3.38Å; E114-C154 HydrophobicContact CB-CB 4.05Å; C154-P156 WeakPolarHBondContact O-CD 3.44Å
155N90.1Very high87.9Confident93 Ų9365.7 Ų65.750%0.49738%0.38SS..  trans-126.476.2-178.9-174.350.8000110.4G153G153-N155 PolarHBondContact O-N 2.82Å
156P93.4Very high88.1Confident12 Ų1264 Ų648%0.07837%0.366CS..  trans-70.4154.7177.131.9-35.6000111F140 I141 F142 C154 R158 R159F140-P156 HydrophobicContact CB-CB 3.95Å; F140-P156 HydrophobicContact CB-CG 4.46Å; F140-P156 HydrophobicContact CD1-CB 4.17Å; F140-P156 HydrophobicContact CD1-CG 3.75Å; F140-P156 HydrophobicContact CE1-CG 4.42Å; F140-P156 HydrophobicContact CG-CB 4.38Å; F140-P156 HydrophobicContact CG-CG 4.37Å; I141-P156 CarbonylContact O-C 3.51Å; I141-P156 WeakPolarHBondContact O-CB 3.42Å; F142-P156 HydrophobicContact CD1-CB 4.15Å; F142-P156 HydrophobicContact CE1-CB 3.77Å; F142-P156 HydrophobicContact CE2-CB 4.36Å; F142-P156 HydrophobicContact CZ-CB 3.89Å; C154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-R158 VanDerWaalsContact C-N 3.32Å; P156-R159 HydrophobicContact CG-CG 3.74Å
157E92.7Very high88.4Confident39 Ų3959.8 Ų59.818%0.18235%0.348CS..SBendtrans-64.3-39.6173.1-71.7-57.7116.500112.1I141 D143 K146I141-E157 WeakPolarHBondContact O-CA 3.25Å; I141-E157 WeakPolarHBondContact O-CB 3.18Å; I141-E157 PolarHBondContact O-N 2.94Å; D143-E157 HydrophobicContact CB-CG 3.71Å; K146-E157 WeakPolarHBondContact CD-OE1 3.29Å; K146-E157 VanDerWaalsContact CE-OE1 3.25Å; K146-E157 WeakPolarHBondContact CE-OE1 3.42Å; K146-E157 IonicContact NZ-OE1 2.66Å; K146-E157 PolarHBondContact NZ-OE1 2.99Å; K146-E157 IonicContact NZ-OE2 2.64Å; K146-E157 PolarHBondContact NZ-OE2 3.26Å
158R94.1Very high89.1Confident75 Ų7553.8 Ų53.828%0.28332%0.321SS..EExtended strand (participates in β ladder)trans-139.4145.8177.3-56.2-67.1-177-87.41.7110.3I141 P156 L160 C198 S202 I204I141-R158 HydrophobicContact CB-CB 3.97Å; I141-R158 HydrophobicContact CB-CG 4.46Å; I141-R158 HydrophobicContact CG1-CB 4Å; I141-R158 PolarHBondContact N-O 2.88Å; I141-R158 PolarHBondContact O-N 2.85Å; P156-R158 VanDerWaalsContact C-N 3.32Å; R158-L160 HydrophobicContact CB-CD2 4.13Å; R158-C198 VanDerWaalsContact CD-SG 3.51Å; R158-C198 PolarHBondContact NE-SG 2.64Å; R158-S202 WeakPolarHBondContact CA-O 3.21Å; R158-I204 HydrophobicContact CB-CD1 4.3Å; R158-I204 HydrophobicContact CG-CD1 3.97Å
159R95.6Very high90.1Very high47 Ų4751.5 Ų51.518%0.17730%0.302CS..EExtended strand (participates in β ladder)trans-111.9117.3166.7-68.9-174.5168.9-114.1-3.9108.3E114 D138 F140 P156 S202 Y203 I204E114-R159 IonicContact OE2-CZ 3.69Å; E114-R159 IonicContact OE2-NH1 3.33Å; E114-R159 PolarHBondContact OE2-NH1 2.96Å; E114-R159 IonicContact OE2-NH2 2.78Å; E114-R159 PolarHBondContact OE2-NH2 3.18Å; D138-R159 IonicContact OD2-NH1 3.38Å; F140-R159 HydrophobicContact CD1-CG 3.94Å; F140-R159 HydrophobicContact CE1-CG 4Å; P156-R159 HydrophobicContact CG-CG 3.74Å; R159-S202 PolarHBondContact N-O 3.31Å; R159-S202 VanDerWaalsContact N-O 3.09Å; R159-Y203 HydrophobicContact CB-CD1 3.43Å; R159-Y203 VanDerWaalsContact CB-CD1 3.43Å; R159-Y203 HydrophobicContact CB-CE1 3.45Å; R159-Y203 VanDerWaalsContact CB-CE1 3.45Å; R159-Y203 HydrophobicContact CB-CG 4.27Å; R159-Y203 VanDerWaalsContact CD-CE1 3.48Å; R159-Y203 WeakPolarHBondContact CD-OH 3.48Å; R159-Y203 HydrophobicContact CG-CD1 4.46Å; R159-Y203 HydrophobicContact CG-CE1 4.08Å; R159-Y203 VanDerWaalsContact O-CA 3.27Å; R159-Y203 WeakPolarHBondContact O-CA 3.5Å; R159-I204 PolarHBondContact O-N 3.12Å
160L97.1Very high91.3Very high0 Ų050.1 Ų50.10%029%0.292CS..EExtended strand (participates in β ladder)trans-95.9114.9-177.1-48.4-177000109.1D138 V139 I141 R158 L180 W192 I194 I204D138-L160 WeakPolarHBondContact CA-O 3.5Å; V139-L160 HydrophobicContact CB-CB 4.05Å; V139-L160 HydrophobicContact CB-CD1 4.15Å; V139-L160 HydrophobicContact CB-CG 4.38Å; V139-L160 HydrophobicContact CG1-CD1 3.99Å; V139-L160 PolarHBondContact N-O 2.84Å; V139-L160 VanDerWaalsContact N-O 3.1Å; V139-L160 WeakPolarHBondContact O-CB 3.23Å; V139-L160 PolarHBondContact O-N 3.28Å; I141-L160 HydrophobicContact CD1-CD1 3.93Å; I141-L160 HydrophobicContact CG1-CD1 4.08Å; I141-L160 HydrophobicContact CG1-CD2 4.24Å; I141-L160 HydrophobicContact CG1-CG 4.17Å; R158-L160 HydrophobicContact CB-CD2 4.13Å; L160-L180 HydrophobicContact CD1-CD2 3.59Å; L160-W192 HydrophobicContact CB-CD2 4.03Å; L160-W192 HydrophobicContact CB-CG 4.01Å; L160-W192 HydrophobicContact CB-CZ2 4.25Å; L160-W192 HydrophobicContact CD1-CB 4.05Å; L160-W192 HydrophobicContact CD1-CD2 3.99Å; L160-W192 HydrophobicContact CD1-CE3 4.27Å; L160-W192 HydrophobicContact CD1-CG 3.9Å; L160-W192 HydrophobicContact CD2-CG 4.47Å; L160-W192 HydrophobicContact CG-CG 4.36Å; L160-I194 HydrophobicContact CD1-CG2 4.3Å; L160-I194 HydrophobicContact CD2-CG2 4.35Å; L160-I204 CarbonylContact C-O 3.57Å; L160-I204 VanDerWaalsContact CA-O 3.3Å; L160-I204 WeakPolarHBondContact CA-O 3.47Å; L160-I204 HydrophobicContact CD2-CB 3.73Å; L160-I204 HydrophobicContact CD2-CD1 4.04Å; L160-I204 HydrophobicContact CD2-CG1 4.26Å; L160-I204 HydrophobicContact CD2-CG2 4.3Å
161R95.8Very high92.5Very high86 Ų8644.3 Ų44.333%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-98.2138.3-178.7-65.1-175.1-58.9-148.4-3.6110.5W192 Y203 I204 D205 A206R161-W192 PolarHBondContact O-NE1 2.89Å; R161-W192 VanDerWaalsContact O-NE1 3.12Å; R161-Y203 HydrophobicContact CG-CD1 3.69Å; R161-Y203 HydrophobicContact CG-CE1 4.25Å; R161-I204 PolarHBondContact N-O 2.9Å; R161-D205 IonicContact CZ-OD1 3.29Å; R161-D205 VanDerWaalsContact CZ-OD1 3.29Å; R161-D205 IonicContact NE-OD1 2.86Å; R161-D205 PolarHBondContact NE-OD1 3.14Å; R161-D205 IonicContact NH2-OD1 2.87Å; R161-D205 PolarHBondContact NH2-OD1 3.07Å; R161-D205 IonicContact NH2-OD2 3.57Å; R161-D205 CarbonylContact O-C 3.46Å; R161-D205 WeakPolarHBondContact O-CA 3.44Å; R161-A206 PolarHBondContact O-N 3.17Å
162G95.6Very high93.9Very high25 Ų2540 Ų4026%0.25822%0.219SC..  trans174.4-43.2176.300000111.2
163H97.9Very high95.3Very high13 Ų1337.5 Ų37.56%0.0619%0.194CC..  trans-76.2158.3176.2-69.8-59.3000112.8T137 S182 S184 D186 N188 C190 W192T137-H163 WeakPolarHBondContact O-CB 3.31Å; H163-S182 PolarHBondContact CD2-OG 3.16Å; H163-S182 VanDerWaalsContact CD2-OG 3.26Å; H163-S182 PolarHBondContact NE2-O 2.91Å; H163-S182 PolarHBondContact NE2-OG 2.91Å; H163-S184 WeakPolarHBondContact CE1-CB 3.35Å; H163-S184 WeakPolarHBondContact ND1-CB 3.46Å; H163-D186 WeakPolarHBondContact CA-OD2 3.37Å; H163-D186 WeakPolarHBondContact CB-OD2 3.26Å; H163-D186 IonicContact CE1-OD1 3.55Å; H163-D186 IonicContact CG-OD2 2.64Å; H163-D186 IonicContact ND1-OD1 2.6Å; H163-D186 PolarHBondContact ND1-OD1 3.32Å; H163-D186 IonicContact ND1-OD2 3.98Å; H163-D186 PolarHBondContact ND1-OD2 3.49Å; H163-N188 PolarHBondContact CE1-O 3.05Å; H163-N188 VanDerWaalsContact CE1-O 3.31Å; H163-C190 PolarHBondContact CE1-SG 2.66Å; H163-W192 AromaticContact CD2-CH2 3.68Å; H163-W192 AromaticContact NE2-CH2 3.74Å
164T97.7Very high96Very high105 Ų10542.1 Ų42.164%0.64420%0.201SC*.SBendtrans-116.9-3.2178.556.70000113.1D186T164-D186 PolarHBondContact N-OD2 2.86Å; T164-D186 WeakPolarHBondContact OG1-CB 3.44Å; T164-D186 PolarHBondContact OG1-OD2 3.04Å
165K97.9Very high96.4Very high85 Ų8544.1 Ų44.137%0.3721%0.213SC..SBendtrans-145176176.3-59.4-163.3-163.5162.80110.2S184 D185 D186K165-S184 PolarHBondContact O-OG 3.17Å; K165-D185 HydrophobicContact CB-CB 4.05Å; K165-D185 HydrophobicContact CD-CB 3.95Å; K165-D185 WeakPolarHBondContact CD-O 3.29Å; K165-D185 WeakPolarHBondContact CD-OD2 3.49Å; K165-D185 PolarHBondContact NZ-O 2.94Å; K165-D185 IonicContact NZ-OD1 3.94Å; K165-D185 PolarHBondContact NZ-OD1 2.87Å; K165-D185 IonicContact NZ-OD2 2.93Å; K165-D185 PolarHBondContact NZ-OD2 3.36Å; K165-D186 HydrophobicContact CB-CB 4.23Å; K165-D186 HydrophobicContact CG-CB 4.15Å
166E97Very high96.8Very high50 Ų5041.4 Ų41.423%0.23420%0.199CC..  trans-50.6153170.8175.1161.9-167.600112.7N118 P135 Y168 S184 D185N118-E166 PolarHBondContact ND2-OE1 2.97Å; P135-E166 VanDerWaalsContact CA-CD 3.45Å; P135-E166 HydrophobicContact CB-CG 4.39Å; P135-E166 WeakPolarHBondContact CG-OE1 3.1Å; E166-Y168 HydrophobicContact CG-CE1 3.87Å; E166-S184 WeakPolarHBondContact O-CA 3.48Å; E166-S184 WeakPolarHBondContact O-CB 3.18Å; E166-S184 PolarHBondContact O-OG 3.42Å; E166-D185 PolarHBondContact O-N 3.35Å
167G95.2Very high97Very high1 Ų144.3 Ų44.31%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-138.6173.9170.400000115.3N118 I133 A183N118-G167 PolarHBondContact ND2-O 2.92Å; I133-G167 VanDerWaalsContact CD1-C 3.43Å; I133-G167 VanDerWaalsContact CD1-CA 3.44Å; G167-A183 VanDerWaalsContact CA-O 3.22Å; G167-A183 WeakPolarHBondContact CA-O 3.36Å
168Y97.2Very high97.2Very high64 Ų6442.6 Ų42.625%0.25121%0.211SC..EExtended strand (participates in β ladder)trans-135-48.7-161.2-51.8-68.2000111.3R119 E166 A183 D185 V216 E218R119-Y168 WeakPolarHBondContact CD-O 3.25Å; R119-Y168 PolarHBondContact NE-O 3.22Å; E166-Y168 HydrophobicContact CG-CE1 3.87Å; Y168-A183 PolarHBondContact N-O 3.36Å; Y168-D185 HydrophobicContact CE2-CB 4.07Å; Y168-V216 HydrophobicContact CD2-CG1 3.9Å; Y168-V216 HydrophobicContact CE2-CG1 3.65Å; Y168-E218 CarbonylContact C-O 3.55Å; Y168-E218 WeakPolarHBondContact CB-O 3.37Å
169G97.9Very high97.4Very high0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-79.1139.6177.600000113.1S182 A183 E218 D219G169-S182 CarbonylContact O-C 3.56Å; G169-S182 WeakPolarHBondContact O-CA 3.23Å; G169-S182 WeakPolarHBondContact O-CB 3.44Å; G169-A183 PolarHBondContact O-N 3.16Å; G169-E218 WeakPolarHBondContact CA-O 3.46Å; G169-E218 PolarHBondContact N-O 2.86Å; G169-D219 WeakPolarHBondContact CA-OD1 3.45Å
170L98.5Very high97.5Very high5 Ų538.7 Ų38.73%0.02620%0.197CC..EExtended strand (participates in β ladder)trans-153.5120.8-179.8-168.270.7000110.6R119 R121 A131 V139 L180 L181R119-L170 HydrophobicContact CB-CB 4.26Å; R119-L170 HydrophobicContact CG-CB 4.14Å; R121-L170 HydrophobicContact CB-CD2 4.29Å; R121-L170 HydrophobicContact CG-CD2 4.39Å; A131-L170 HydrophobicContact CB-CD1 4.22Å; A131-L170 HydrophobicContact CB-CD2 3.83Å; A131-L170 HydrophobicContact CB-CG 4.33Å; A131-L170 WeakPolarHBondContact O-CD2 3.34Å; V139-L170 HydrophobicContact CG1-CD1 3.97Å; L170-L180 HydrophobicContact CD1-CD1 3.84Å; L170-L180 HydrophobicContact CD1-CD2 4.04Å; L170-L180 HydrophobicContact CD1-CG 4.15Å; L170-L180 HydrophobicContact CG-CD1 4.16Å; L170-L181 WeakPolarHBondContact CA-O 3.25Å
171S98.7Very high97.6Very high17 Ų1738.7 Ų38.712%0.11920%0.197CC..EExtended strand (participates in β ladder)trans-144.9125.2-177-1730000112.8L181 V220 W222S171-L181 PolarHBondContact N-O 2.79Å; S171-L181 PolarHBondContact O-N 2.83Å; S171-V220 WeakPolarHBondContact CB-O 3.12Å; S171-W222 PolarHBondContact O-NE1 2.96Å; S171-W222 PolarHBondContact OG-N 3.33Å; S171-W222 VanDerWaalsContact OG-N 3.07Å
172W98.8Very high97.8Very high11 Ų1134.6 Ų34.64%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-82.8138.8172.8-72101.9000111.3R121 Y122 M123 P124 A131 I141 R174 L180 I194R121-W172 PolarHBondContact O-NE1 3.48Å; Y122-W172 VanDerWaalsContact C-CD1 3.44Å; Y122-W172 PolarHBondContact O-NE1 3.43Å; M123-W172 HydrophobicContact CB-CD2 3.83Å; M123-W172 HydrophobicContact CB-CE3 4.04Å; M123-W172 HydrophobicContact CB-CG 4.36Å; M123-W172 HydrophobicContact CB-CH2 4.24Å; M123-W172 HydrophobicContact CB-CZ2 4Å; M123-W172 HydrophobicContact CB-CZ3 4.26Å; M123-W172 HydrophobicContact CG-CD2 4.19Å; M123-W172 HydrophobicContact CG-CE3 3.97Å; M123-W172 HydrophobicContact CG-CZ3 4.24Å; M123-W172 HydrophobicContact SD-CE3 4.3Å; M123-W172 HydrophobicContact SD-CH2 4.45Å; M123-W172 HydrophobicContact SD-CZ3 4.04Å; P124-W172 VanDerWaalsContact CD-CB 3.49Å; P124-W172 HydrophobicContact CG-CB 4.27Å; A131-W172 HydrophobicContact CB-CH2 4.26Å; A131-W172 HydrophobicContact CB-CZ2 3.36Å; I141-W172 HydrophobicContact CD1-CH2 3.77Å; I141-W172 HydrophobicContact CD1-CZ2 3.96Å; W172-R174 PolarHBondContact O-N 3.27Å; W172-L180 HydrophobicContact CD2-CB 4.49Å; W172-L180 HydrophobicContact CD2-CD1 3.56Å; W172-L180 HydrophobicContact CE3-CB 3.93Å; W172-L180 HydrophobicContact CE3-CD1 3.88Å; W172-L180 HydrophobicContact CE3-CG 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.89Å; W172-L180 HydrophobicContact CH2-CB 4.42Å; W172-L180 HydrophobicContact CH2-CD1 4.42Å; W172-L180 HydrophobicContact CH2-CD2 4.37Å; W172-L180 HydrophobicContact CZ2-CD1 4.18Å; W172-L180 HydrophobicContact CZ3-CB 3.86Å; W172-L180 HydrophobicContact CZ3-CD1 4.27Å; W172-L180 HydrophobicContact CZ3-CG 4.48Å; W172-I194 HydrophobicContact CH2-CD1 3.68Å; W172-I194 HydrophobicContact CH2-CG2 3.99Å; W172-I194 HydrophobicContact CZ3-CD1 3.81Å; W172-I194 HydrophobicContact CZ3-CG1 4.48Å; W172-I194 HydrophobicContact CZ3-CG2 4.04Å
173N98.5Very high97.9Very high0 Ų033.4 Ų33.40%017%0.17CC..  trans-69125.6171.9-166.3-56000109.4Q125 V175 V176 F179 W222 A227Q125-N173 PolarHBondContact NE2-O 3.17Å; N173-V175 VanDerWaalsContact C-N 3.35Å; N173-V175 WeakPolarHBondContact OD1-CA 3.37Å; N173-V175 PolarHBondContact OD1-N 3.26Å; N173-V176 PolarHBondContact OD1-N 2.82Å; N173-F179 HydrophobicContact CB-CB 3.55Å; N173-F179 WeakPolarHBondContact CB-O 3.36Å; N173-F179 PolarHBondContact N-O 2.82Å; N173-W222 HydrophobicContact CB-CD2 3.97Å; N173-W222 HydrophobicContact CB-CG 4.11Å; N173-W222 HydrophobicContact CB-CZ2 4.2Å; N173-W222 VanDerWaalsContact N-CD1 3.26Å; N173-W222 VanDerWaalsContact ND2-CE3 3.3Å; N173-W222 WeakPolarHBondContact ND2-CH2 3.17Å; N173-W222 WeakPolarHBondContact ND2-CZ2 3.42Å; N173-W222 VanDerWaalsContact ND2-CZ3 3.33Å; N173-W222 WeakPolarHBondContact ND2-CZ3 3.25Å; N173-A227 PolarHBondContact ND2-O 3.45Å
174R97.3Very high97.9Very high128 Ų12832.8 Ų32.848%0.48317%0.167SC..SBendtrans-78.1-20.9-179-60.4-168.2-174.4-944.7113.3P124 Q125 W172 N224P124-R174 HydrophobicContact CG-CG 4.33Å; Q125-R174 PolarHBondContact NE2-O 3.42Å; W172-R174 PolarHBondContact O-N 3.27Å; R174-N224 WeakPolarHBondContact CD-OD1 3.42Å; R174-N224 PolarHBondContact NE-OD1 3.33Å
175V97.8Very high98Very high70 Ų7029.9 Ų29.942%0.42415%0.147SC..SBendtrans-98.6-45.9-175.1-174.20000111.9N173 P177 T225 A227N173-V175 VanDerWaalsContact C-N 3.35Å; N173-V175 WeakPolarHBondContact OD1-CA 3.37Å; N173-V175 PolarHBondContact OD1-N 3.26Å; V175-P177 WeakPolarHBondContact O-CD 3.21Å; V175-T225 WeakPolarHBondContact CG2-O 3.28Å; V175-A227 HydrophobicContact CB-CB 3.96Å; V175-A227 HydrophobicContact CG1-CB 3.9Å
176V97.9Very high98Very high36 Ų3626.5 Ų26.522%0.21813%0.133CC..SBendtrans-101.4110.9-178.1-174.70000109.2N173 G178 F179 A227N173-V176 PolarHBondContact OD1-N 2.82Å; V176-G178 PolarHBondContact O-N 3.01Å; V176-F179 HydrophobicContact CB-CB 4.35Å; V176-F179 HydrophobicContact CB-CD1 4.45Å; V176-F179 HydrophobicContact CB-CD2 4.28Å; V176-F179 HydrophobicContact CB-CG 4.12Å; V176-F179 HydrophobicContact CG1-CB 4.43Å; V176-F179 HydrophobicContact CG1-CD1 4.23Å; V176-F179 HydrophobicContact CG1-CD2 3.47Å; V176-F179 VanDerWaalsContact CG1-CD2 3.47Å; V176-F179 HydrophobicContact CG1-CE1 4.39Å; V176-F179 HydrophobicContact CG1-CE2 3.66Å; V176-F179 HydrophobicContact CG1-CG 3.79Å; V176-F179 HydrophobicContact CG1-CZ 4.13Å; V176-F179 PolarHBondContact O-N 2.91Å; V176-A227 HydrophobicContact CG2-CB 3.69Å
177P97.6Very high98Very high74 Ų7427.1 Ų27.148%0.48114%0.136SC..THydrogen-bonded Turntrans-57.6137.3178.7-2332.5000111.8M123 Q125 V175 F179M123-P177 HydrophobicContact CE-CB 3.48Å; M123-P177 VanDerWaalsContact CE-CB 3.48Å; Q125-P177 HydrophobicContact CB-CB 4.36Å; Q125-P177 HydrophobicContact CB-CG 4.4Å; Q125-P177 HydrophobicContact CG-CB 4.35Å; Q125-P177 HydrophobicContact CG-CG 4.08Å; V175-P177 WeakPolarHBondContact O-CD 3.21Å; P177-F179 VanDerWaalsContact C-N 3.26Å; P177-F179 PolarHBondContact O-N 2.95Å
178G97Very high98.1Very high2 Ų228.3 Ų28.32%0.02114%0.142CC..THydrogen-bonded Turntrans82.3-4173.300000115.3V176 I194V176-G178 PolarHBondContact O-N 3.01Å; G178-I194 PolarHBondContact O-N 3.18Å
179F98.2Very high98.2Very high41 Ų4125.2 Ų25.218%0.1813%0.13CC..EExtended strand (participates in β ladder)trans-82126.7174.2-84.6-137.6000110N173 V176 P177 L191 W192 D193 L207 W222N173-F179 HydrophobicContact CB-CB 3.55Å; N173-F179 WeakPolarHBondContact CB-O 3.36Å; N173-F179 PolarHBondContact N-O 2.82Å; V176-F179 HydrophobicContact CB-CB 4.35Å; V176-F179 HydrophobicContact CB-CD1 4.45Å; V176-F179 HydrophobicContact CB-CD2 4.28Å; V176-F179 HydrophobicContact CB-CG 4.12Å; V176-F179 HydrophobicContact CG1-CB 4.43Å; V176-F179 HydrophobicContact CG1-CD1 4.23Å; V176-F179 HydrophobicContact CG1-CD2 3.47Å; V176-F179 VanDerWaalsContact CG1-CD2 3.47Å; V176-F179 HydrophobicContact CG1-CE1 4.39Å; V176-F179 HydrophobicContact CG1-CE2 3.66Å; V176-F179 HydrophobicContact CG1-CG 3.79Å; V176-F179 HydrophobicContact CG1-CZ 4.13Å; V176-F179 PolarHBondContact O-N 2.91Å; P177-F179 VanDerWaalsContact C-N 3.26Å; P177-F179 PolarHBondContact O-N 2.95Å; F179-L191 HydrophobicContact CB-CD1 4.41Å; F179-L191 HydrophobicContact CD1-CD1 4Å; F179-L191 HydrophobicContact CG-CD1 4.46Å; F179-W192 VanDerWaalsContact CA-O 3.31Å; F179-W192 WeakPolarHBondContact CA-O 3.37Å; F179-D193 HydrophobicContact CD2-CB 4.02Å; F179-D193 HydrophobicContact CE2-CB 3.71Å; F179-D193 HydrophobicContact CZ-CB 4.4Å; F179-L207 HydrophobicContact CE1-CD2 4.29Å; F179-L207 HydrophobicContact CZ-CD2 4.23Å; F179-W222 HydrophobicContact CB-CZ2 4.48Å
180L98.7Very high98.2Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-131.3137.7-176.7-178.971.4000110.1A131 V139 I141 L160 L170 W172 L191 W192A131-L180 HydrophobicContact CB-CD1 3.96Å; A131-L180 HydrophobicContact CB-CD2 3.66Å; A131-L180 HydrophobicContact CB-CG 4.5Å; V139-L180 HydrophobicContact CG1-CD2 3.89Å; I141-L180 HydrophobicContact CD1-CD2 4.02Å; L160-L180 HydrophobicContact CD1-CD2 3.59Å; L170-L180 HydrophobicContact CD1-CD1 3.84Å; L170-L180 HydrophobicContact CD1-CD2 4.04Å; L170-L180 HydrophobicContact CD1-CG 4.15Å; L170-L180 HydrophobicContact CG-CD1 4.16Å; W172-L180 HydrophobicContact CD2-CB 4.49Å; W172-L180 HydrophobicContact CD2-CD1 3.56Å; W172-L180 HydrophobicContact CE3-CB 3.93Å; W172-L180 HydrophobicContact CE3-CD1 3.88Å; W172-L180 HydrophobicContact CE3-CG 4.45Å; W172-L180 HydrophobicContact CG-CD1 3.89Å; W172-L180 HydrophobicContact CH2-CB 4.42Å; W172-L180 HydrophobicContact CH2-CD1 4.42Å; W172-L180 HydrophobicContact CH2-CD2 4.37Å; W172-L180 HydrophobicContact CZ2-CD1 4.18Å; W172-L180 HydrophobicContact CZ3-CB 3.86Å; W172-L180 HydrophobicContact CZ3-CD1 4.27Å; W172-L180 HydrophobicContact CZ3-CG 4.48Å; L180-L191 WeakPolarHBondContact O-CA 3.17Å; L180-L191 WeakPolarHBondContact O-CD1 3.27Å; L180-W192 PolarHBondContact N-O 2.91Å; L180-W192 PolarHBondContact O-N 3.39Å
181L98.7Very high98.2Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-109.2148.8168.3-70.6167.9000110.6L170 S171 I189 C190 L191 F210 V220 W222 F230L170-L181 WeakPolarHBondContact CA-O 3.25Å; S171-L181 PolarHBondContact N-O 2.79Å; S171-L181 PolarHBondContact O-N 2.83Å; L181-I189 HydrophobicContact CD2-CG2 3.88Å; L181-C190 VanDerWaalsContact CA-O 3.28Å; L181-C190 WeakPolarHBondContact CA-O 2.93Å; L181-L191 HydrophobicContact CD2-CB 3.86Å; L181-L191 HydrophobicContact CD2-CD1 4.09Å; L181-L191 HydrophobicContact CG-CD1 4.49Å; L181-F210 HydrophobicContact CD2-CE2 4.4Å; L181-V220 HydrophobicContact CB-CB 4.47Å; L181-V220 HydrophobicContact CB-CG1 3.83Å; L181-V220 HydrophobicContact CB-CG2 3.75Å; L181-V220 HydrophobicContact CD1-CG2 3.59Å; L181-V220 HydrophobicContact CG-CG2 4.19Å; L181-W222 HydrophobicContact CD1-CD2 3.53Å; L181-W222 HydrophobicContact CD1-CE3 4.17Å; L181-W222 HydrophobicContact CD1-CG 3.86Å; L181-W222 HydrophobicContact CD1-CH2 4.2Å; L181-W222 HydrophobicContact CD1-CZ2 3.61Å; L181-W222 HydrophobicContact CD1-CZ3 4.45Å; L181-W222 VanDerWaalsContact CD1-NE1 3.3Å; L181-W222 HydrophobicContact CD2-CZ2 4.06Å; L181-W222 HydrophobicContact CG-CD2 4.26Å; L181-W222 VanDerWaalsContact CG-CE2 3.41Å; L181-W222 HydrophobicContact CG-CH2 4.45Å; L181-W222 HydrophobicContact CG-CZ2 3.56Å; L181-W222 VanDerWaalsContact CG-NE1 3.27Å; L181-F230 HydrophobicContact CD1-CB 3.54Å; L181-F230 HydrophobicContact CD1-CD1 3.86Å; L181-F230 HydrophobicContact CD1-CD2 3.59Å; L181-F230 HydrophobicContact CD1-CE1 4.43Å; L181-F230 HydrophobicContact CD1-CE2 4.18Å; L181-F230 HydrophobicContact CD1-CG 3.39Å; L181-F230 HydrophobicContact CD2-CE1 4.4Å; L181-F230 HydrophobicContact CD2-CE2 4.33Å; L181-F230 HydrophobicContact CD2-CZ 4.26Å
182S98.7Very high98.1Very high0 Ų024.4 Ų24.40%012%0.124CC..EExtended strand (participates in β ladder)trans-142.6159.116169.10000112.7H163 G169 I189 C190 W192H163-S182 PolarHBondContact CD2-OG 3.16Å; H163-S182 VanDerWaalsContact CD2-OG 3.26Å; H163-S182 PolarHBondContact NE2-O 2.91Å; H163-S182 PolarHBondContact NE2-OG 2.91Å; G169-S182 CarbonylContact O-C 3.56Å; G169-S182 WeakPolarHBondContact O-CA 3.23Å; G169-S182 WeakPolarHBondContact O-CB 3.44Å; S182-I189 CarbonylContact O-C 3.48Å; S182-I189 VanDerWaalsContact O-CA 3.22Å; S182-I189 WeakPolarHBondContact O-CA 3.46Å; S182-I189 WeakPolarHBondContact O-CG2 3.37Å; S182-C190 PolarHBondContact N-O 2.81Å; S182-C190 VanDerWaalsContact N-O 3.08Å; S182-C190 PolarHBondContact O-N 3.01Å; S182-W192 WeakPolarHBondContact OG-CH2 3.35Å; S182-W192 WeakPolarHBondContact OG-CZ3 3.09Å
183A98.5Very high98Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-121.3147.1178.400000110.3G167 Y168 G169 I189 A217 V220G167-A183 VanDerWaalsContact CA-O 3.22Å; G167-A183 WeakPolarHBondContact CA-O 3.36Å; Y168-A183 PolarHBondContact N-O 3.36Å; G169-A183 PolarHBondContact O-N 3.16Å; A183-I189 HydrophobicContact CB-CG1 4.47Å; A183-A217 CarbonylContact C-O 3.57Å; A183-A217 HydrophobicContact CB-CB 3.85Å; A183-A217 VanDerWaalsContact CB-O 3.28Å; A183-A217 WeakPolarHBondContact CB-O 3.42Å; A183-V220 HydrophobicContact CB-CB 4.25Å; A183-V220 HydrophobicContact CB-CG1 4.2Å
184S98.5Very high97.9Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-143.3159.5-168.5171.90000114.5H163 K165 E166 D186 H187 N188 A217H163-S184 WeakPolarHBondContact CE1-CB 3.35Å; H163-S184 WeakPolarHBondContact ND1-CB 3.46Å; K165-S184 PolarHBondContact O-OG 3.17Å; E166-S184 WeakPolarHBondContact O-CA 3.48Å; E166-S184 WeakPolarHBondContact O-CB 3.18Å; E166-S184 PolarHBondContact O-OG 3.42Å; S184-D186 WeakPolarHBondContact CB-OD1 3.49Å; S184-D186 PolarHBondContact O-N 2.92Å; S184-D186 VanDerWaalsContact O-N 3.09Å; S184-D186 PolarHBondContact OG-N 3.17Å; S184-D186 VanDerWaalsContact OG-N 3.11Å; S184-H187 PolarHBondContact O-N 3Å; S184-N188 PolarHBondContact N-O 2.93Å; S184-A217 PolarHBondContact N-O 2.71Å; S184-A217 VanDerWaalsContact N-O 3.14Å; S184-A217 PolarHBondContact O-N 3.43Å
185D98.4Very high97.6Very high43 Ų4324.5 Ų24.523%0.2314%0.142CC..THydrogen-bonded Turntrans-59.1-8.5165.3-178.629.7000113.3K165 E166 Y168 H187 V216K165-D185 HydrophobicContact CB-CB 4.05Å; K165-D185 HydrophobicContact CD-CB 3.95Å; K165-D185 WeakPolarHBondContact CD-O 3.29Å; K165-D185 WeakPolarHBondContact CD-OD2 3.49Å; K165-D185 PolarHBondContact NZ-O 2.94Å; K165-D185 IonicContact NZ-OD1 3.94Å; K165-D185 PolarHBondContact NZ-OD1 2.87Å; K165-D185 IonicContact NZ-OD2 2.93Å; K165-D185 PolarHBondContact NZ-OD2 3.36Å; E166-D185 PolarHBondContact O-N 3.35Å; Y168-D185 HydrophobicContact CE2-CB 4.07Å; D185-H187 PolarHBondContact O-CD2 2.9Å; D185-H187 PolarHBondContact O-N 2.87Å; D185-V216 HydrophobicContact CB-CG1 4.38Å; D185-V216 HydrophobicContact CB-CG2 4.46Å; D185-V216 VanDerWaalsContact OD1-CG2 3.26Å; D185-V216 WeakPolarHBondContact OD1-CG2 2.92Å
186D98.1Very high97.1Very high15 Ų1523.4 Ų23.48%0.0814%0.137CC..THydrogen-bonded Turntrans-82.24168.273.620.5000114.6H163 T164 K165 S184 N188H163-D186 WeakPolarHBondContact CA-OD2 3.37Å; H163-D186 WeakPolarHBondContact CB-OD2 3.26Å; H163-D186 IonicContact CE1-OD1 3.55Å; H163-D186 IonicContact CG-OD2 2.64Å; H163-D186 IonicContact ND1-OD1 2.6Å; H163-D186 PolarHBondContact ND1-OD1 3.32Å; H163-D186 IonicContact ND1-OD2 3.98Å; H163-D186 PolarHBondContact ND1-OD2 3.49Å; T164-D186 PolarHBondContact N-OD2 2.86Å; T164-D186 WeakPolarHBondContact OG1-CB 3.44Å; T164-D186 PolarHBondContact OG1-OD2 3.04Å; K165-D186 HydrophobicContact CB-CB 4.23Å; K165-D186 HydrophobicContact CG-CB 4.15Å; S184-D186 WeakPolarHBondContact CB-OD1 3.49Å; S184-D186 PolarHBondContact O-N 2.92Å; S184-D186 VanDerWaalsContact O-N 3.09Å; S184-D186 PolarHBondContact OG-N 3.17Å; S184-D186 VanDerWaalsContact OG-N 3.11Å; D186-N188 PolarHBondContact O-N 3.17Å; D186-N188 PolarHBondContact O-ND2 3.44Å; D186-N188 VanDerWaalsContact OD1-CB 3.27Å; D186-N188 WeakPolarHBondContact OD1-CB 3.25Å; D186-N188 PolarHBondContact OD1-N 2.92Å; D186-N188 PolarHBondContact OD1-ND2 2.93Å
187H98Very high96.1Very high63 Ų6329.5 Ų29.529%0.29217%0.169SC..SBendtrans71.54.2178.1-40.6172.2000114.3S184 D185 S215 V216S184-H187 PolarHBondContact O-N 3Å; D185-H187 PolarHBondContact O-CD2 2.9Å; D185-H187 PolarHBondContact O-N 2.87Å; H187-S215 WeakPolarHBondContact CA-O 3.41Å; H187-S215 WeakPolarHBondContact CB-O 3.48Å; H187-S215 PolarHBondContact CD2-O 2.82Å; H187-S215 VanDerWaalsContact CG-C 3.47Å; H187-V216 PolarHBondContact CD2-N 3.29Å
188N97.9Very high94.6Very high25 Ų2528.3 Ų28.313%0.13416%0.161CC..EExtended strand (participates in β ladder)trans-103160-178.6-48.4-77000110.7H163 S184 D186 F210 K211H163-N188 PolarHBondContact CE1-O 3.05Å; H163-N188 VanDerWaalsContact CE1-O 3.31Å; S184-N188 PolarHBondContact N-O 2.93Å; D186-N188 PolarHBondContact O-N 3.17Å; D186-N188 PolarHBondContact O-ND2 3.44Å; D186-N188 VanDerWaalsContact OD1-CB 3.27Å; D186-N188 WeakPolarHBondContact OD1-CB 3.25Å; D186-N188 PolarHBondContact OD1-N 2.92Å; D186-N188 PolarHBondContact OD1-ND2 2.93Å; N188-F210 WeakPolarHBondContact CA-O 3.15Å; N188-K211 WeakPolarHBondContact OD1-CD 3.37Å; N188-K211 VanDerWaalsContact OD1-CG 3.32Å; N188-K211 WeakPolarHBondContact OD1-CG 3.37Å
189I98.4Very high93.2Very high0 Ų030.5 Ų30.50%018%0.176CC..EExtended strand (participates in β ladder)trans-112.1130.4164.6-57.5132.8000107.1L181 S182 A183 M209 F210 V220 F230 S232 W242L181-I189 HydrophobicContact CD2-CG2 3.88Å; S182-I189 CarbonylContact O-C 3.48Å; S182-I189 VanDerWaalsContact O-CA 3.22Å; S182-I189 WeakPolarHBondContact O-CA 3.46Å; S182-I189 WeakPolarHBondContact O-CG2 3.37Å; A183-I189 HydrophobicContact CB-CG1 4.47Å; I189-M209 CarbonylContact O-C 3.52Å; I189-M209 WeakPolarHBondContact O-CA 3.36Å; I189-F210 HydrophobicContact CB-CB 4.2Å; I189-F210 HydrophobicContact CB-CD2 4.38Å; I189-F210 HydrophobicContact CD1-CB 4.39Å; I189-F210 HydrophobicContact CG2-CD2 4.33Å; I189-F210 PolarHBondContact N-O 2.85Å; I189-F210 PolarHBondContact O-N 3.13Å; I189-V220 HydrophobicContact CG2-CB 4.44Å; I189-V220 HydrophobicContact CG2-CG2 3.9Å; I189-F230 HydrophobicContact CD1-CE2 4.45Å; I189-F230 HydrophobicContact CG2-CE2 4.02Å; I189-S232 WeakPolarHBondContact CD1-OG 3.2Å; I189-W242 HydrophobicContact CD1-CZ2 4.01Å
190C98.2Very high91.5Very high0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-107142.7177.2-74.20000110.3H163 L181 S182 W192 A206H163-C190 PolarHBondContact CE1-SG 2.66Å; L181-C190 VanDerWaalsContact CA-O 3.28Å; L181-C190 WeakPolarHBondContact CA-O 2.93Å; S182-C190 PolarHBondContact N-O 2.81Å; S182-C190 VanDerWaalsContact N-O 3.08Å; S182-C190 PolarHBondContact O-N 3.01Å; C190-W192 HydrophobicContact CB-CD2 4.33Å; C190-W192 HydrophobicContact CB-CE3 4.1Å; C190-W192 HydrophobicContact CB-CH2 3.07Å; C190-W192 HydrophobicContact CB-CZ2 3.28Å; C190-W192 HydrophobicContact CB-CZ3 3.48Å; C190-W192 VanDerWaalsContact CB-CZ3 3.48Å; C190-W192 WeakPolarHBondContact O-CZ3 3.46Å; C190-A206 HydrophobicContact CB-CB 4.27Å
191L98Very high90.3Very high4 Ų444 Ų442%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-113.2132.2171.1170.558.7000109.2F179 L180 L181 A206 L207 S208 F210 W222F179-L191 HydrophobicContact CB-CD1 4.41Å; F179-L191 HydrophobicContact CD1-CD1 4Å; F179-L191 HydrophobicContact CG-CD1 4.46Å; L180-L191 WeakPolarHBondContact O-CA 3.17Å; L180-L191 WeakPolarHBondContact O-CD1 3.27Å; L181-L191 HydrophobicContact CD2-CB 3.86Å; L181-L191 HydrophobicContact CD2-CD1 4.09Å; L181-L191 HydrophobicContact CG-CD1 4.49Å; L191-A206 CarbonylContact O-C 3.55Å; L191-L207 HydrophobicContact CD2-CD2 4.22Å; L191-L207 HydrophobicContact CG-CB 4.44Å; L191-L207 HydrophobicContact CG-CD2 4.32Å; L191-L207 WeakPolarHBondContact O-CA 3.27Å; L191-L207 WeakPolarHBondContact O-CB 3.5Å; L191-L207 PolarHBondContact O-N 2.93Å; L191-S208 PolarHBondContact N-O 2.98Å; L191-S208 PolarHBondContact O-N 2.79Å; L191-F210 HydrophobicContact CB-CE2 3.88Å; L191-F210 HydrophobicContact CD2-CE2 4.44Å; L191-F210 HydrophobicContact CD2-CZ 4.46Å; L191-W222 HydrophobicContact CD1-CH2 4.24Å; L191-W222 HydrophobicContact CD1-CZ2 3.63Å
192W97.6Very high89.8Confident1 Ų146.7 Ų46.70%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-124.1154171.5-60-93.1000111.6V139 L160 R161 H163 F179 L180 S182 C190 A206V139-W192 HydrophobicContact CG2-CH2 3.84Å; V139-W192 HydrophobicContact CG2-CZ2 4.47Å; V139-W192 HydrophobicContact CG2-CZ3 4.3Å; L160-W192 HydrophobicContact CB-CD2 4.03Å; L160-W192 HydrophobicContact CB-CG 4.01Å; L160-W192 HydrophobicContact CB-CZ2 4.25Å; L160-W192 HydrophobicContact CD1-CB 4.05Å; L160-W192 HydrophobicContact CD1-CD2 3.99Å; L160-W192 HydrophobicContact CD1-CE3 4.27Å; L160-W192 HydrophobicContact CD1-CG 3.9Å; L160-W192 HydrophobicContact CD2-CG 4.47Å; L160-W192 HydrophobicContact CG-CG 4.36Å; R161-W192 PolarHBondContact O-NE1 2.89Å; R161-W192 VanDerWaalsContact O-NE1 3.12Å; H163-W192 AromaticContact CD2-CH2 3.68Å; H163-W192 AromaticContact NE2-CH2 3.74Å; F179-W192 VanDerWaalsContact CA-O 3.31Å; F179-W192 WeakPolarHBondContact CA-O 3.37Å; L180-W192 PolarHBondContact N-O 2.91Å; L180-W192 PolarHBondContact O-N 3.39Å; S182-W192 WeakPolarHBondContact OG-CH2 3.35Å; S182-W192 WeakPolarHBondContact OG-CZ3 3.09Å; C190-W192 HydrophobicContact CB-CD2 4.33Å; C190-W192 HydrophobicContact CB-CE3 4.1Å; C190-W192 HydrophobicContact CB-CH2 3.07Å; C190-W192 HydrophobicContact CB-CZ2 3.28Å; C190-W192 HydrophobicContact CB-CZ3 3.48Å; C190-W192 VanDerWaalsContact CB-CZ3 3.48Å; C190-W192 WeakPolarHBondContact O-CZ3 3.46Å; W192-A206 VanDerWaalsContact CD1-CA 3.45Å
193D96.5Very high89.5Confident25 Ų2549.7 Ų49.713%0.13427%0.272CS..EExtended strand (participates in β ladder)trans-112.1108.6160.7167.520.7000107.7F179 S195 S196F179-D193 HydrophobicContact CD2-CB 4.02Å; F179-D193 HydrophobicContact CE2-CB 3.71Å; F179-D193 HydrophobicContact CZ-CB 4.4Å; D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 PolarHBondContact O-N 2.76Å; D193-S195 WeakPolarHBondContact OD1-CB 3.15Å; D193-S195 PolarHBondContact OD1-N 3.17Å; D193-S195 PolarHBondContact OD1-OG 2.9Å; D193-S195 PolarHBondContact OD2-OG 2.83Å; D193-S196 VanDerWaalsContact O-CB 3.32Å; D193-S196 WeakPolarHBondContact O-CB 3.38Å; D193-S196 PolarHBondContact O-N 3.49Å; D193-S196 PolarHBondContact OD2-N 2.91Å; D193-S196 PolarHBondContact OD2-OG 2.82Å
194I95.3Very high89.3Confident25 Ų2550.1 Ų50.113%0.12827%0.274CS..THydrogen-bonded Turntrans-69.5-14.9-177.775.2176.4000112.8M123 I141 L160 W172 G178 I204M123-I194 HydrophobicContact SD-CD1 3.95Å; I141-I194 HydrophobicContact CD1-CG2 4.11Å; I141-I194 HydrophobicContact CG1-CG2 4.06Å; L160-I194 HydrophobicContact CD1-CG2 4.3Å; L160-I194 HydrophobicContact CD2-CG2 4.35Å; W172-I194 HydrophobicContact CH2-CD1 3.68Å; W172-I194 HydrophobicContact CH2-CG2 3.99Å; W172-I194 HydrophobicContact CZ3-CD1 3.81Å; W172-I194 HydrophobicContact CZ3-CG1 4.48Å; W172-I194 HydrophobicContact CZ3-CG2 4.04Å; G178-I194 PolarHBondContact O-N 3.18Å; I194-I204 HydrophobicContact CB-CD1 4.47Å; I194-I204 WeakPolarHBondContact O-CD1 3.33Å
195S92Very high89.2Confident90 Ų9054.6 Ų54.663%0.62930%0.298SS*.THydrogen-bonded Turntrans-85.3-12.3179.177.10000112.9D193D193-S195 VanDerWaalsContact CG-OG 3.3Å; D193-S195 PolarHBondContact O-N 2.76Å; D193-S195 WeakPolarHBondContact OD1-CB 3.15Å; D193-S195 PolarHBondContact OD1-N 3.17Å; D193-S195 PolarHBondContact OD1-OG 2.9Å; D193-S195 PolarHBondContact OD2-OG 2.83Å
196S86.8Confident89Confident47 Ų4753.9 Ų53.933%0.32930%0.299SS..SBendtrans-59.3149.8176.3-76.60000112.1D193 C198D193-S196 VanDerWaalsContact O-CB 3.32Å; D193-S196 WeakPolarHBondContact O-CB 3.38Å; D193-S196 PolarHBondContact O-N 3.49Å; D193-S196 PolarHBondContact OD2-N 2.91Å; D193-S196 PolarHBondContact OD2-OG 2.82Å; S196-C198 PolarHBondContact O-N 3.16Å; S196-C198 VanDerWaalsContact O-N 3.15Å
197D75.9Confident88.9Confident165 Ų16557.8 Ų57.888%0.88232%0.319SS*.PPolyproline II helixtrans-54.1121.7176.8-75-35.5000109.9
198C67.6Low88.8Confident48 Ų4856.3 Ų56.332%0.32432%0.315SS..PPolyproline II helixtrans-67.8141.5178.3-55.60000109.9R158 S196R158-C198 VanDerWaalsContact CD-SG 3.51Å; R158-C198 PolarHBondContact NE-SG 2.64Å; S196-C198 PolarHBondContact O-N 3.16Å; S196-C198 VanDerWaalsContact O-N 3.15Å
199S67.4Low88.7Confident48 Ų4858.9 Ų58.934%0.33633%0.328SS..PPolyproline II helixtrans-61.1170.4161.374.80000109.4D201 Y203S199-D201 PolarHBondContact O-N 2.79Å; S199-Y203 PolarHBondContact N-O 2.99Å; S199-Y203 PolarHBondContact OG-O 3.34Å
200K63.3Low88.7Confident191 Ų19158.9 Ų58.983%0.8333%0.328SS*.THydrogen-bonded Turntrans-48134.1165.4-68.2-177.2178.9179.60108.5
201D73.3Confident88.6Confident134 Ų13463 Ų6372%0.71735%0.346SS*.THydrogen-bonded Turntrans78.334.2175.9-47.3-37.4000118.3S199 Y203S199-D201 PolarHBondContact O-N 2.79Å; D201-Y203 HydrophobicContact CB-CD2 4.06Å; D201-Y203 HydrophobicContact CB-CE2 4.13Å; D201-Y203 WeakPolarHBondContact O-CD2 3.41Å; D201-Y203 WeakPolarHBondContact O-CE2 3.38Å; D201-Y203 PolarHBondContact O-N 3.49Å
202S86.7Confident88.5Confident57 Ų5764 Ų6440%0.39936%0.357SS..SBendtrans65.217.6170.8-55.60000115.9R158 R159R158-S202 WeakPolarHBondContact CA-O 3.21Å; R159-S202 PolarHBondContact N-O 3.31Å; R159-S202 VanDerWaalsContact N-O 3.09Å
203Y92.9Very high88.5Confident63 Ų6364.7 Ų64.725%0.24736%0.36CS..EExtended strand (participates in β ladder)trans-90.2144.8174.1-68.8-89.1000111.9R159 R161 S199 D201R159-Y203 HydrophobicContact CB-CD1 3.43Å; R159-Y203 VanDerWaalsContact CB-CD1 3.43Å; R159-Y203 HydrophobicContact CB-CE1 3.45Å; R159-Y203 VanDerWaalsContact CB-CE1 3.45Å; R159-Y203 HydrophobicContact CB-CG 4.27Å; R159-Y203 VanDerWaalsContact CD-CE1 3.48Å; R159-Y203 WeakPolarHBondContact CD-OH 3.48Å; R159-Y203 HydrophobicContact CG-CD1 4.46Å; R159-Y203 HydrophobicContact CG-CE1 4.08Å; R159-Y203 VanDerWaalsContact O-CA 3.27Å; R159-Y203 WeakPolarHBondContact O-CA 3.5Å; R161-Y203 HydrophobicContact CG-CD1 3.69Å; R161-Y203 HydrophobicContact CG-CE1 4.25Å; S199-Y203 PolarHBondContact N-O 2.99Å; S199-Y203 PolarHBondContact OG-O 3.34Å; D201-Y203 HydrophobicContact CB-CD2 4.06Å; D201-Y203 HydrophobicContact CB-CE2 4.13Å; D201-Y203 WeakPolarHBondContact O-CD2 3.41Å; D201-Y203 WeakPolarHBondContact O-CE2 3.38Å; D201-Y203 PolarHBondContact O-N 3.49Å
204I94.9Very high88.6Confident8 Ų868.5 Ų68.54%0.04138%0.384CS..EExtended strand (participates in β ladder)trans-128.4123.7172.6-59.2177.8000107.6R158 R159 L160 R161 I194R158-I204 HydrophobicContact CB-CD1 4.3Å; R158-I204 HydrophobicContact CG-CD1 3.97Å; R159-I204 PolarHBondContact O-N 3.12Å; L160-I204 CarbonylContact C-O 3.57Å; L160-I204 VanDerWaalsContact CA-O 3.3Å; L160-I204 WeakPolarHBondContact CA-O 3.47Å; L160-I204 HydrophobicContact CD2-CB 3.73Å; L160-I204 HydrophobicContact CD2-CD1 4.04Å; L160-I204 HydrophobicContact CD2-CG1 4.26Å; L160-I204 HydrophobicContact CD2-CG2 4.3Å; R161-I204 PolarHBondContact N-O 2.9Å; I194-I204 HydrophobicContact CB-CD1 4.47Å; I194-I204 WeakPolarHBondContact O-CD1 3.33Å
205D95Very high88.7Confident94 Ų9469.1 Ų69.150%0.50339%0.391SS..EExtended strand (participates in β ladder)trans-84.5153177.3-58.1-40.1000110.5R161 L207R161-D205 IonicContact CZ-OD1 3.29Å; R161-D205 VanDerWaalsContact CZ-OD1 3.29Å; R161-D205 IonicContact NE-OD1 2.86Å; R161-D205 PolarHBondContact NE-OD1 3.14Å; R161-D205 IonicContact NH2-OD1 2.87Å; R161-D205 PolarHBondContact NH2-OD1 3.07Å; R161-D205 IonicContact NH2-OD2 3.57Å; R161-D205 CarbonylContact O-C 3.46Å; R161-D205 WeakPolarHBondContact O-CA 3.44Å; D205-L207 PolarHBondContact O-N 2.9Å
206A95.8Very high89Confident29 Ų2965.5 Ų65.524%0.2437%0.365CS..  trans-57.5128.6-179.500000111.8R161 C190 L191 W192 S208 M209R161-A206 PolarHBondContact O-N 3.17Å; C190-A206 HydrophobicContact CB-CB 4.27Å; L191-A206 CarbonylContact O-C 3.55Å; W192-A206 VanDerWaalsContact CD1-CA 3.45Å; A206-S208 VanDerWaalsContact C-N 3.32Å; A206-M209 HydrophobicContact CB-CG 4.12Å
207L94.5Very high89.6Confident96 Ų9663.2 Ų63.250%0.50335%0.349SS..SBendtrans-66.4-37.2173.9179.564.5000111F179 L191 D205F179-L207 HydrophobicContact CE1-CD2 4.29Å; F179-L207 HydrophobicContact CZ-CD2 4.23Å; L191-L207 HydrophobicContact CD2-CD2 4.22Å; L191-L207 HydrophobicContact CG-CB 4.44Å; L191-L207 HydrophobicContact CG-CD2 4.32Å; L191-L207 WeakPolarHBondContact O-CA 3.27Å; L191-L207 WeakPolarHBondContact O-CB 3.5Å; L191-L207 PolarHBondContact O-N 2.93Å; D205-L207 PolarHBondContact O-N 2.9Å
208S96.2Very high90.7Very high32 Ų3256.7 Ų56.722%0.22431%0.313CS..EExtended strand (participates in β ladder)trans-152.3148.7177-690000110.6L191 A206L191-S208 PolarHBondContact N-O 2.98Å; L191-S208 PolarHBondContact O-N 2.79Å; A206-S208 VanDerWaalsContact C-N 3.32Å
209M97Very high92.2Very high80 Ų8054.6 Ų54.639%0.39430%0.299SS..EExtended strand (participates in β ladder)trans-125113.5175.4-67-174.3-70.100109.1I189 A206 S248I189-M209 CarbonylContact O-C 3.52Å; I189-M209 WeakPolarHBondContact O-CA 3.36Å; A206-M209 HydrophobicContact CB-CG 4.12Å; M209-S248 WeakPolarHBondContact O-CB 3.49Å
210F98.1Very high93.7Very high0 Ų052.4 Ų52.40%028%0.284CS..EExtended strand (participates in β ladder)trans-90.1124.7-179.4-53.4-94.1000110.3L181 N188 I189 L191 F230 W242 S248L181-F210 HydrophobicContact CD2-CE2 4.4Å; N188-F210 WeakPolarHBondContact CA-O 3.15Å; I189-F210 HydrophobicContact CB-CB 4.2Å; I189-F210 HydrophobicContact CB-CD2 4.38Å; I189-F210 HydrophobicContact CD1-CB 4.39Å; I189-F210 HydrophobicContact CG2-CD2 4.33Å; I189-F210 PolarHBondContact N-O 2.85Å; I189-F210 PolarHBondContact O-N 3.13Å; L191-F210 HydrophobicContact CB-CE2 3.88Å; L191-F210 HydrophobicContact CD2-CE2 4.44Å; L191-F210 HydrophobicContact CD2-CZ 4.46Å; F210-F230 HydrophobicContact CD1-CE1 4.45Å; F210-F230 AromaticContact CD1-CZ 3.85Å; F210-F230 HydrophobicContact CD1-CZ 3.85Å; F210-F230 HydrophobicContact CD2-CE1 4.43Å; F210-F230 HydrophobicContact CD2-CE2 4.45Å; F210-F230 AromaticContact CD2-CZ 3.63Å; F210-F230 HydrophobicContact CD2-CZ 3.63Å; F210-F230 HydrophobicContact CE1-CE1 4.01Å; F210-F230 AromaticContact CE1-CZ 3.86Å; F210-F230 HydrophobicContact CE1-CZ 3.86Å; F210-F230 AromaticContact CE2-CE1 3.98Å; F210-F230 HydrophobicContact CE2-CE1 3.98Å; F210-F230 AromaticContact CE2-CZ 3.63Å; F210-F230 HydrophobicContact CE2-CZ 3.63Å; F210-F230 AromaticContact CG-CZ 3.76Å; F210-F230 HydrophobicContact CG-CZ 3.76Å; F210-F230 AromaticContact CZ-CE1 3.77Å; F210-F230 HydrophobicContact CZ-CE1 3.77Å; F210-F230 AromaticContact CZ-CZ 3.76Å; F210-F230 HydrophobicContact CZ-CZ 3.76Å; F210-W242 HydrophobicContact CB-CD2 4.33Å; F210-W242 HydrophobicContact CB-CE3 4.06Å; F210-W242 HydrophobicContact CB-CH2 3.97Å; F210-W242 HydrophobicContact CB-CZ2 4.23Å; F210-W242 HydrophobicContact CB-CZ3 3.89Å; F210-W242 HydrophobicContact CD1-CD2 4.29Å; F210-W242 AromaticContact CD1-CE3 3.72Å; F210-W242 HydrophobicContact CD1-CE3 3.72Å; F210-W242 HydrophobicContact CD1-CZ3 4.12Å; F210-W242 HydrophobicContact CG-CE3 4.27Å; F210-W242 HydrophobicContact CG-CZ3 4.49Å; F210-S248 CarbonylContact C-O 3.49Å; F210-S248 VanDerWaalsContact CA-O 3.24Å; F210-S248 WeakPolarHBondContact CA-O 3.36Å
211K96.7Very high95.3Very high87 Ų8743.8 Ų43.838%0.37825%0.247SC..EExtended strand (participates in β ladder)trans-120.489.3-173.3-50.7-155.2-176.7-177.10109.8N188 S248 Y249N188-K211 WeakPolarHBondContact OD1-CD 3.37Å; N188-K211 VanDerWaalsContact OD1-CG 3.32Å; N188-K211 WeakPolarHBondContact OD1-CG 3.37Å; K211-S248 PolarHBondContact N-O 2.88Å; K211-Y249 HydrophobicContact CB-CD1 4.01Å; K211-Y249 HydrophobicContact CB-CE1 4.24Å; K211-Y249 HydrophobicContact CD-CD1 4.46Å; K211-Y249 HydrophobicContact CD-CE1 3.86Å; K211-Y249 HydrophobicContact CG-CD1 4.34Å; K211-Y249 HydrophobicContact CG-CE1 4.1Å
212G95.5Very high96.5Very high25 Ų2537.4 Ų37.426%0.25821%0.213SC..  trans-133.3-31.5-178.700000114.2
213H97.8Very high97.1Very high14 Ų1435 Ų357%0.06520%0.195CC..  trans-74.6149.4175.7-72.6-75.4000111.3A217 S232 V233 D236 L240H213-A217 HydrophobicContact CB-CB 4.5Å; H213-S232 PolarHBondContact NE2-OG 2.91Å; H213-V233 VanDerWaalsContact CE1-C 3.46Å; H213-D236 VanDerWaalsContact CA-OD2 3.25Å; H213-D236 WeakPolarHBondContact CA-OD2 3.47Å; H213-D236 IonicContact CE1-OD1 2.67Å; H213-D236 IonicContact CG-OD2 3.31Å; H213-D236 IonicContact ND1-OD1 3.87Å; H213-D236 PolarHBondContact ND1-OD1 2.81Å; H213-D236 IonicContact ND1-OD2 3.83Å; H213-D236 PolarHBondContact ND1-OD2 2.98Å; H213-L240 WeakPolarHBondContact NE2-CD1 3.49Å
214T97.6Very high97.3Very high105 Ų10532.8 Ų32.864%0.64419%0.188SC*.SBendtrans-108-4.9-179.353.10000113.4D236T214-D236 PolarHBondContact N-OD2 3.13Å; T214-D236 VanDerWaalsContact OG1-CB 3.25Å; T214-D236 WeakPolarHBondContact OG1-CB 3.42Å; T214-D236 PolarHBondContact OG1-OD2 2.65Å
215S98.2Very high97.4Very high38 Ų3836.6 Ų36.627%0.26621%0.212SC..SBendtrans-139.1-170.6172.1-160.10000108.5H187 A217 D235H187-S215 WeakPolarHBondContact CA-O 3.41Å; H187-S215 WeakPolarHBondContact CB-O 3.48Å; H187-S215 PolarHBondContact CD2-O 2.82Å; H187-S215 VanDerWaalsContact CG-C 3.47Å; S215-A217 PolarHBondContact O-N 3.41Å; S215-D235 WeakPolarHBondContact OG-CB 3.34Å
216V98.5Very high97.5Very high14 Ų1435.1 Ų35.19%0.08520%0.204CC..  trans-43.5128.7175.6-176.20000111.2Y168 D185 H187 E218 G234 D235Y168-V216 HydrophobicContact CD2-CG1 3.9Å; Y168-V216 HydrophobicContact CE2-CG1 3.65Å; D185-V216 HydrophobicContact CB-CG1 4.38Å; D185-V216 HydrophobicContact CB-CG2 4.46Å; D185-V216 VanDerWaalsContact OD1-CG2 3.26Å; D185-V216 WeakPolarHBondContact OD1-CG2 2.92Å; H187-V216 PolarHBondContact CD2-N 3.29Å; V216-E218 HydrophobicContact CG1-CG 4.25Å; V216-E218 VanDerWaalsContact CG1-OE1 3.25Å; V216-E218 WeakPolarHBondContact CG1-OE1 3.32Å; V216-G234 CarbonylContact O-C 3.58Å; V216-G234 WeakPolarHBondContact O-CA 3.45Å; V216-D235 HydrophobicContact CB-CB 4.06Å; V216-D235 WeakPolarHBondContact CG2-OD2 3.21Å; V216-D235 PolarHBondContact O-N 3.01Å
217A98.5Very high97.6Very high0 Ų034.3 Ų34.30%020%0.197CC..EExtended strand (participates in β ladder)trans-90108.5169.300000107.4A183 S184 H213 S215 V233A183-A217 CarbonylContact C-O 3.57Å; A183-A217 HydrophobicContact CB-CB 3.85Å; A183-A217 VanDerWaalsContact CB-O 3.28Å; A183-A217 WeakPolarHBondContact CB-O 3.42Å; S184-A217 PolarHBondContact N-O 2.71Å; S184-A217 VanDerWaalsContact N-O 3.14Å; S184-A217 PolarHBondContact O-N 3.43Å; H213-A217 HydrophobicContact CB-CB 4.5Å; S215-A217 PolarHBondContact O-N 3.41Å; A217-V233 CarbonylContact C-O 3.58Å
218E98.7Very high97.7Very high28 Ų2834.3 Ų34.313%0.13119%0.191CC..EExtended strand (participates in β ladder)trans-83.8-42.8-169.6-74.1-65.3162.700111.9Y168 G169 V216 V233 V262 Y263Y168-E218 CarbonylContact C-O 3.55Å; Y168-E218 WeakPolarHBondContact CB-O 3.37Å; G169-E218 WeakPolarHBondContact CA-O 3.46Å; G169-E218 PolarHBondContact N-O 2.86Å; V216-E218 HydrophobicContact CG1-CG 4.25Å; V216-E218 VanDerWaalsContact CG1-OE1 3.25Å; V216-E218 WeakPolarHBondContact CG1-OE1 3.32Å; E218-V233 PolarHBondContact N-O 3.03Å; E218-V262 WeakPolarHBondContact CB-O 3.5Å; E218-Y263 HydrophobicContact CG-CD1 3.98Å
219D98.7Very high97.8Very high4 Ų434.1 Ų34.12%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-145.7158.8-179.2-150.8-1.5000114R119 G169 S232 V233 Y263 V265R119-D219 IonicContact CZ-OD1 3.04Å; R119-D219 IonicContact CZ-OD2 3.83Å; R119-D219 IonicContact NH1-OD1 3.6Å; R119-D219 PolarHBondContact NH1-OD1 3.32Å; R119-D219 IonicContact NH1-OD2 3.55Å; R119-D219 PolarHBondContact NH1-OD2 3.34Å; R119-D219 IonicContact NH2-OD2 3.18Å; G169-D219 WeakPolarHBondContact CA-OD1 3.45Å; D219-S232 VanDerWaalsContact O-CA 3.25Å; D219-S232 WeakPolarHBondContact O-CA 3.22Å; D219-V233 HydrophobicContact CB-CG2 3.71Å; D219-V233 PolarHBondContact N-O 3.14Å; D219-V233 PolarHBondContact O-N 2.94Å; D219-Y263 WeakPolarHBondContact CB-O 3.34Å; D219-V265 HydrophobicContact CB-CG1 4.33Å
220V98.7Very high97.9Very high2 Ų230.3 Ų30.31%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-143.6137.1177.263.40000109.7S171 L181 A183 I189 F230 A231S171-V220 WeakPolarHBondContact CB-O 3.12Å; L181-V220 HydrophobicContact CB-CB 4.47Å; L181-V220 HydrophobicContact CB-CG1 3.83Å; L181-V220 HydrophobicContact CB-CG2 3.75Å; L181-V220 HydrophobicContact CD1-CG2 3.59Å; L181-V220 HydrophobicContact CG-CG2 4.19Å; A183-V220 HydrophobicContact CB-CB 4.25Å; A183-V220 HydrophobicContact CB-CG1 4.2Å; I189-V220 HydrophobicContact CG2-CB 4.44Å; I189-V220 HydrophobicContact CG2-CG2 3.9Å; V220-F230 HydrophobicContact CG2-CD2 3.79Å; V220-F230 HydrophobicContact CG2-CE2 4.3Å; V220-A231 WeakPolarHBondContact CA-O 3.34Å; V220-A231 WeakPolarHBondContact CG2-O 2.96Å
221C98.7Very high97.9Very high9 Ų930.3 Ų30.36%0.06117%0.169CC..EExtended strand (participates in β ladder)trans-136.5126.4176.3-170.30000111.1F230 A231 V265 D266 F267C221-F230 CarbonylContact O-C 3.57Å; C221-F230 VanDerWaalsContact O-CA 3.3Å; C221-F230 WeakPolarHBondContact O-CA 3.32Å; C221-F230 VanDerWaalsContact O-CB 3.31Å; C221-F230 WeakPolarHBondContact O-CB 3.45Å; C221-A231 PolarHBondContact N-O 2.92Å; C221-A231 PolarHBondContact O-N 3.11Å; C221-V265 HydrophobicContact CB-CG1 4.03Å; C221-V265 VanDerWaalsContact CB-O 3.31Å; C221-V265 WeakPolarHBondContact CB-O 3.31Å; C221-D266 PolarHBondContact SG-OD1 2.9Å; C221-F267 HydrophobicContact CB-CD2 4.16Å; C221-F267 VanDerWaalsContact O-CE2 3.31Å; C221-F267 WeakPolarHBondContact O-CE2 3.44Å
222W98.8Very high98Very high1 Ų126.2 Ų26.20%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-66.7144.4167.6-79.6104.8000111.1S171 N173 F179 L181 L191 A227 F230S171-W222 PolarHBondContact O-NE1 2.96Å; S171-W222 PolarHBondContact OG-N 3.33Å; S171-W222 VanDerWaalsContact OG-N 3.07Å; N173-W222 HydrophobicContact CB-CD2 3.97Å; N173-W222 HydrophobicContact CB-CG 4.11Å; N173-W222 HydrophobicContact CB-CZ2 4.2Å; N173-W222 VanDerWaalsContact N-CD1 3.26Å; N173-W222 VanDerWaalsContact ND2-CE3 3.3Å; N173-W222 WeakPolarHBondContact ND2-CH2 3.17Å; N173-W222 WeakPolarHBondContact ND2-CZ2 3.42Å; N173-W222 VanDerWaalsContact ND2-CZ3 3.33Å; N173-W222 WeakPolarHBondContact ND2-CZ3 3.25Å; F179-W222 HydrophobicContact CB-CZ2 4.48Å; L181-W222 HydrophobicContact CD1-CD2 3.53Å; L181-W222 HydrophobicContact CD1-CE3 4.17Å; L181-W222 HydrophobicContact CD1-CG 3.86Å; L181-W222 HydrophobicContact CD1-CH2 4.2Å; L181-W222 HydrophobicContact CD1-CZ2 3.61Å; L181-W222 HydrophobicContact CD1-CZ3 4.45Å; L181-W222 VanDerWaalsContact CD1-NE1 3.3Å; L181-W222 HydrophobicContact CD2-CZ2 4.06Å; L181-W222 HydrophobicContact CG-CD2 4.26Å; L181-W222 VanDerWaalsContact CG-CE2 3.41Å; L181-W222 HydrophobicContact CG-CH2 4.45Å; L181-W222 HydrophobicContact CG-CZ2 3.56Å; L181-W222 VanDerWaalsContact CG-NE1 3.27Å; L191-W222 HydrophobicContact CD1-CH2 4.24Å; L191-W222 HydrophobicContact CD1-CZ2 3.63Å; W222-A227 VanDerWaalsContact CZ3-O 3.29Å; W222-A227 WeakPolarHBondContact CZ3-O 3.5Å; W222-F230 HydrophobicContact CD2-CB 4.21Å; W222-F230 HydrophobicContact CE3-CB 3.87Å; W222-F230 HydrophobicContact CE3-CD1 4.31Å; W222-F230 HydrophobicContact CH2-CD1 4.24Å; W222-F230 HydrophobicContact CZ3-CB 4.32Å; W222-F230 AromaticContact CZ3-CD1 3.9Å; W222-F230 HydrophobicContact CZ3-CD1 3.9Å
223H98.4Very high98.2Very high5 Ų525 Ų252%0.02314%0.138CC..  trans-61.3140.2166.2-170.2-90.6000111T225 N226 L229 F267 E272H223-T225 VanDerWaalsContact C-N 3.34Å; H223-T225 PolarHBondContact CE1-OG1 3.11Å; H223-T225 PolarHBondContact ND1-N 2.92Å; H223-T225 PolarHBondContact ND1-OG1 2.83Å; H223-T225 PolarHBondContact O-N 3.38Å; H223-N226 HydrophobicContact CB-CB 3.99Å; H223-N226 VanDerWaalsContact ND1-CB 3.28Å; H223-N226 WeakPolarHBondContact ND1-CB 3.2Å; H223-N226 PolarHBondContact ND1-N 2.95Å; H223-L229 HydrophobicContact CB-CB 3.87Å; H223-L229 HydrophobicContact CB-CD2 4.32Å; H223-L229 HydrophobicContact CB-CG 4.29Å; H223-L229 WeakPolarHBondContact CB-O 3.28Å; H223-L229 PolarHBondContact N-O 3.09Å; H223-F267 AromaticContact CD2-CD1 3.49Å; H223-F267 VanDerWaalsContact CD2-CD1 3.49Å; H223-F267 WeakPolarHBondContact CD2-CD1 3.46Å; H223-F267 AromaticContact CD2-CE1 3.51Å; H223-E272 WeakPolarHBondContact NE2-CA 3.31Å; H223-E272 PolarHBondContact NE2-O 3.25Å
224N97.4Very high98.2Very high17 Ų1724.3 Ų24.39%0.09114%0.135CC..SBendtrans-66.2-32.2-171.5-71.9-58.4000114.2R174 F267 N268 P269R174-N224 WeakPolarHBondContact CD-OD1 3.42Å; R174-N224 PolarHBondContact NE-OD1 3.33Å; N224-F267 WeakPolarHBondContact ND2-CB 3.37Å; N224-F267 PolarHBondContact ND2-O 3.4Å; N224-N268 VanDerWaalsContact ND2-C 3.28Å; N224-N268 PolarHBondContact ND2-O 2.98Å; N224-P269 WeakPolarHBondContact ND2-CA 3.47Å
225T96.9Very high98.2Very high89 Ų8921.5 Ų21.555%0.54612%0.116SC..SBendtrans-120.6-8.8-175.8610000114.3V175 H223V175-T225 WeakPolarHBondContact CG2-O 3.28Å; H223-T225 VanDerWaalsContact C-N 3.34Å; H223-T225 PolarHBondContact CE1-OG1 3.11Å; H223-T225 PolarHBondContact ND1-N 2.92Å; H223-T225 PolarHBondContact ND1-OG1 2.83Å; H223-T225 PolarHBondContact O-N 3.38Å
226N97.5Very high98.3Very high62 Ų6220.6 Ų20.633%0.33211%0.109SC..  trans-109.4116.1-175.1-177.2-26.1000108.6H223 Y228 L229H223-N226 HydrophobicContact CB-CB 3.99Å; H223-N226 VanDerWaalsContact ND1-CB 3.28Å; H223-N226 WeakPolarHBondContact ND1-CB 3.2Å; H223-N226 PolarHBondContact ND1-N 2.95Å; N226-Y228 PolarHBondContact O-N 2.96Å; N226-Y228 VanDerWaalsContact O-N 3.08Å; N226-Y228 PolarHBondContact OD1-N 3.29Å; N226-L229 HydrophobicContact CB-CB 4.02Å; N226-L229 PolarHBondContact OD1-N 3.14Å
227A97.4Very high98.2Very high12 Ų1220 Ų2010%0.09911%0.105CC..THydrogen-bonded Turntrans-61-18.4-177.100000114.9N173 V175 V176 W222N173-A227 PolarHBondContact ND2-O 3.45Å; V175-A227 HydrophobicContact CB-CB 3.96Å; V175-A227 HydrophobicContact CG1-CB 3.9Å; V176-A227 HydrophobicContact CG2-CB 3.69Å; W222-A227 VanDerWaalsContact CZ3-O 3.29Å; W222-A227 WeakPolarHBondContact CZ3-O 3.5Å
228Y97Very high98.2Very high97 Ų9725 Ų2538%0.3812%0.124SC..THydrogen-bonded Turntrans-122.1-8-168.8-52.2-67.8000114.1N226 D243 S244 R245N226-Y228 PolarHBondContact O-N 2.96Å; N226-Y228 VanDerWaalsContact O-N 3.08Å; N226-Y228 PolarHBondContact OD1-N 3.29Å; Y228-D243 CarbonylContact O-C 3.52Å; Y228-D243 WeakPolarHBondContact O-CA 3.39Å; Y228-S244 WeakPolarHBondContact CA-OG 3.37Å; Y228-S244 PolarHBondContact O-N 3.46Å; Y228-S244 PolarHBondContact O-OG 3.5Å; Y228-R245 HydrophobicContact CD1-CG 3.46Å; Y228-R245 VanDerWaalsContact CD1-CG 3.46Å; Y228-R245 HydrophobicContact CD2-CG 4.5Å; Y228-R245 HydrophobicContact CE1-CG 3.99Å; Y228-R245 VanDerWaalsContact CG-CD 3.46Å; Y228-R245 HydrophobicContact CG-CG 3.75Å
229L97.8Very high98.2Very high28 Ų2823.7 Ų23.715%0.14712%0.118CC..EExtended strand (participates in β ladder)trans-99.2134.7-179.1-171.668.1000110.2H223 N226 L241 W242H223-L229 HydrophobicContact CB-CB 3.87Å; H223-L229 HydrophobicContact CB-CD2 4.32Å; H223-L229 HydrophobicContact CB-CG 4.29Å; H223-L229 WeakPolarHBondContact CB-O 3.28Å; H223-L229 PolarHBondContact N-O 3.09Å; N226-L229 HydrophobicContact CB-CB 4.02Å; N226-L229 PolarHBondContact OD1-N 3.14Å; L229-L241 HydrophobicContact CD1-CD1 3.7Å; L229-L241 HydrophobicContact CD1-CD2 3.96Å; L229-L241 HydrophobicContact CD1-CG 3.65Å; L229-L241 HydrophobicContact CD2-CD1 4.31Å; L229-L241 HydrophobicContact CG-CD1 3.96Å; L229-L241 HydrophobicContact CG-CG 4.46Å; L229-W242 WeakPolarHBondContact CA-O 3.47Å; L229-W242 WeakPolarHBondContact CD1-O 3.41Å
230F98.5Very high98.2Very high0 Ų023.5 Ų23.50%012%0.117CC..EExtended strand (participates in β ladder)trans-149.1159.7170.967.4-88.9000110.9L181 I189 F210 V220 C221 W222 W242L181-F230 HydrophobicContact CD1-CB 3.54Å; L181-F230 HydrophobicContact CD1-CD1 3.86Å; L181-F230 HydrophobicContact CD1-CD2 3.59Å; L181-F230 HydrophobicContact CD1-CE1 4.43Å; L181-F230 HydrophobicContact CD1-CE2 4.18Å; L181-F230 HydrophobicContact CD1-CG 3.39Å; L181-F230 HydrophobicContact CD2-CE1 4.4Å; L181-F230 HydrophobicContact CD2-CE2 4.33Å; L181-F230 HydrophobicContact CD2-CZ 4.26Å; I189-F230 HydrophobicContact CD1-CE2 4.45Å; I189-F230 HydrophobicContact CG2-CE2 4.02Å; F210-F230 HydrophobicContact CD1-CE1 4.45Å; F210-F230 AromaticContact CD1-CZ 3.85Å; F210-F230 HydrophobicContact CD1-CZ 3.85Å; F210-F230 HydrophobicContact CD2-CE1 4.43Å; F210-F230 HydrophobicContact CD2-CE2 4.45Å; F210-F230 AromaticContact CD2-CZ 3.63Å; F210-F230 HydrophobicContact CD2-CZ 3.63Å; F210-F230 HydrophobicContact CE1-CE1 4.01Å; F210-F230 AromaticContact CE1-CZ 3.86Å; F210-F230 HydrophobicContact CE1-CZ 3.86Å; F210-F230 AromaticContact CE2-CE1 3.98Å; F210-F230 HydrophobicContact CE2-CE1 3.98Å; F210-F230 AromaticContact CE2-CZ 3.63Å; F210-F230 HydrophobicContact CE2-CZ 3.63Å; F210-F230 AromaticContact CG-CZ 3.76Å; F210-F230 HydrophobicContact CG-CZ 3.76Å; F210-F230 AromaticContact CZ-CE1 3.77Å; F210-F230 HydrophobicContact CZ-CE1 3.77Å; F210-F230 AromaticContact CZ-CZ 3.76Å; F210-F230 HydrophobicContact CZ-CZ 3.76Å; V220-F230 HydrophobicContact CG2-CD2 3.79Å; V220-F230 HydrophobicContact CG2-CE2 4.3Å; C221-F230 CarbonylContact O-C 3.57Å; C221-F230 VanDerWaalsContact O-CA 3.3Å; C221-F230 WeakPolarHBondContact O-CA 3.32Å; C221-F230 VanDerWaalsContact O-CB 3.31Å; C221-F230 WeakPolarHBondContact O-CB 3.45Å; W222-F230 HydrophobicContact CD2-CB 4.21Å; W222-F230 HydrophobicContact CE3-CB 3.87Å; W222-F230 HydrophobicContact CE3-CD1 4.31Å; W222-F230 HydrophobicContact CH2-CD1 4.24Å; W222-F230 HydrophobicContact CZ3-CB 4.32Å; W222-F230 AromaticContact CZ3-CD1 3.9Å; W222-F230 HydrophobicContact CZ3-CD1 3.9Å; F230-W242 HydrophobicContact CD1-CB 3.81Å; F230-W242 HydrophobicContact CD2-CB 3.88Å; F230-W242 AromaticContact CD2-CD1 3.66Å; F230-W242 HydrophobicContact CD2-CG 4.02Å; F230-W242 HydrophobicContact CE1-CB 3.38Å; F230-W242 HydrophobicContact CE1-CG 4.18Å; F230-W242 HydrophobicContact CE2-CB 3.47Å; F230-W242 VanDerWaalsContact CE2-CB 3.47Å; F230-W242 AromaticContact CE2-CD1 3.25Å; F230-W242 HydrophobicContact CE2-CD2 4.24Å; F230-W242 AromaticContact CE2-CG 3.38Å; F230-W242 HydrophobicContact CE2-CG 3.38Å; F230-W242 AromaticContact CE2-NE1 3.98Å; F230-W242 HydrophobicContact CG-CB 4.04Å; F230-W242 HydrophobicContact CZ-CB 3.2Å; F230-W242 AromaticContact CZ-CD1 3.87Å; F230-W242 HydrophobicContact CZ-CD2 4.2Å; F230-W242 AromaticContact CZ-CG 3.48Å; F230-W242 HydrophobicContact CZ-CG 3.48Å; F230-W242 VanDerWaalsContact CZ-CG 3.48Å; F230-W242 PolarHBondContact N-O 2.86Å; F230-W242 VanDerWaalsContact N-O 3.09Å; F230-W242 PolarHBondContact O-N 3.19Å
231A98.7Very high98.2Very high0 Ų023.7 Ų23.70%012%0.118CC..EExtended strand (participates in β ladder)trans-115.1152.9175.900000110.2V220 C221 L239 L240 L241 V265 F267 L275V220-A231 WeakPolarHBondContact CA-O 3.34Å; V220-A231 WeakPolarHBondContact CG2-O 2.96Å; C221-A231 PolarHBondContact N-O 2.92Å; C221-A231 PolarHBondContact O-N 3.11Å; A231-L239 HydrophobicContact CB-CD1 4.05Å; A231-L240 CarbonylContact C-O 3.54Å; A231-L240 VanDerWaalsContact CA-O 3.25Å; A231-L240 WeakPolarHBondContact CA-O 3.18Å; A231-L241 HydrophobicContact CB-CD1 4.39Å; A231-V265 HydrophobicContact CB-CG2 3.93Å; A231-F267 HydrophobicContact CB-CE2 3.51Å; A231-F267 HydrophobicContact CB-CZ 3.72Å; A231-L275 HydrophobicContact CB-CD2 4.06Å
232S98.7Very high98.2Very high0 Ų023.4 Ų23.40%012%0.115CC..EExtended strand (participates in β ladder)trans-139.5153.8171.168.90000111.5I189 H213 D219 L240 W242I189-S232 WeakPolarHBondContact CD1-OG 3.2Å; H213-S232 PolarHBondContact NE2-OG 2.91Å; D219-S232 VanDerWaalsContact O-CA 3.25Å; D219-S232 WeakPolarHBondContact O-CA 3.22Å; S232-L240 PolarHBondContact N-O 2.95Å; S232-L240 PolarHBondContact O-N 3.42Å; S232-W242 PolarHBondContact OG-NE1 2.94Å
233V98.8Very high98.1Very high0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-137.8163.4-179.9-67.10000111.1H213 A217 E218 D219 R238 L239 V262 V265 T277H213-V233 VanDerWaalsContact CE1-C 3.46Å; A217-V233 CarbonylContact C-O 3.58Å; E218-V233 PolarHBondContact N-O 3.03Å; D219-V233 HydrophobicContact CB-CG2 3.71Å; D219-V233 PolarHBondContact N-O 3.14Å; D219-V233 PolarHBondContact O-N 2.94Å; V233-R238 WeakPolarHBondContact CA-O 3.4Å; V233-L239 HydrophobicContact CG1-CB 4.34Å; V233-L239 HydrophobicContact CG1-CD1 3.72Å; V233-V262 HydrophobicContact CB-CB 3.87Å; V233-V262 HydrophobicContact CB-CG1 3.51Å; V233-V262 HydrophobicContact CG1-CB 4.35Å; V233-V262 HydrophobicContact CG1-CG1 3.58Å; V233-V262 HydrophobicContact CG2-CB 4.5Å; V233-V262 HydrophobicContact CG2-CG1 3.95Å; V233-V265 HydrophobicContact CG1-CB 3.85Å; V233-V265 HydrophobicContact CG1-CG1 4.21Å; V233-V265 HydrophobicContact CG1-CG2 4.41Å; V233-V265 HydrophobicContact CG2-CB 4.05Å; V233-V265 HydrophobicContact CG2-CG1 3.94Å; V233-T277 HydrophobicContact CG1-CG2 3.99Å
234G98.6Very high98Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-172.3-175.9-179.400000115.4V216 D236 G237 V262V216-G234 CarbonylContact O-C 3.58Å; V216-G234 WeakPolarHBondContact O-CA 3.45Å; G234-D236 PolarHBondContact O-N 3.01Å; G234-D236 VanDerWaalsContact O-N 3.16Å; G234-G237 PolarHBondContact O-N 3.16Å; G234-V262 PolarHBondContact N-O 3.41Å; G234-V262 PolarHBondContact O-N 2.78Å; G234-V262 VanDerWaalsContact O-N 3.16Å
235D98.7Very high97.8Very high45 Ų4533.1 Ų33.124%0.24116%0.156CC..THydrogen-bonded Turntrans-64.5-16.8-177.8-84.75.5000114.1S215 V216 G237 E261S215-D235 WeakPolarHBondContact OG-CB 3.34Å; V216-D235 HydrophobicContact CB-CB 4.06Å; V216-D235 WeakPolarHBondContact CG2-OD2 3.21Å; V216-D235 PolarHBondContact O-N 3.01Å; D235-G237 PolarHBondContact O-N 2.97Å; D235-E261 HydrophobicContact CB-CG 3.99Å; D235-E261 WeakPolarHBondContact OD1-CB 3.18Å; D235-E261 VanDerWaalsContact OD1-CG 3.25Å; D235-E261 WeakPolarHBondContact OD1-CG 3.49Å
236D98.4Very high97.5Very high20 Ų2031.2 Ų31.211%0.10715%0.149CC..THydrogen-bonded Turntrans-74.32.4172.363.73.7000113.5H213 T214 G234 R238H213-D236 VanDerWaalsContact CA-OD2 3.25Å; H213-D236 WeakPolarHBondContact CA-OD2 3.47Å; H213-D236 IonicContact CE1-OD1 2.67Å; H213-D236 IonicContact CG-OD2 3.31Å; H213-D236 IonicContact ND1-OD1 3.87Å; H213-D236 PolarHBondContact ND1-OD1 2.81Å; H213-D236 IonicContact ND1-OD2 3.83Å; H213-D236 PolarHBondContact ND1-OD2 2.98Å; T214-D236 PolarHBondContact N-OD2 3.13Å; T214-D236 VanDerWaalsContact OG1-CB 3.25Å; T214-D236 WeakPolarHBondContact OG1-CB 3.42Å; T214-D236 PolarHBondContact OG1-OD2 2.65Å; G234-D236 PolarHBondContact O-N 3.01Å; G234-D236 VanDerWaalsContact O-N 3.16Å; D236-R238 PolarHBondContact O-N 2.86Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 PolarHBondContact OD1-N 3.05Å
237G98.3Very high96.9Very high1 Ų133 Ų331%0.0116%0.159CC..SBendtrans72.617.4177.700000112.9G234 D235 R256 A257 H258 A260G234-G237 PolarHBondContact O-N 3.16Å; D235-G237 PolarHBondContact O-N 2.97Å; G237-R256 CarbonylContact O-C 3.33Å; G237-A257 PolarHBondContact O-N 2.83Å; G237-H258 PolarHBondContact O-N 2.67Å; G237-A260 WeakPolarHBondContact CA-O 3.35Å
238R98.4Very high96.3Very high105 Ų10533.5 Ų33.540%0.39616%0.162SC..EExtended strand (participates in β ladder)trans-104.7147.7-172.9-64.2-169.2172.1-138.21.7113V233 D236 L240 S254 V255V233-R238 WeakPolarHBondContact CA-O 3.4Å; D236-R238 PolarHBondContact O-N 2.86Å; D236-R238 WeakPolarHBondContact OD1-CB 3.4Å; D236-R238 PolarHBondContact OD1-N 3.05Å; R238-L240 HydrophobicContact CB-CD2 4.09Å; R238-S254 PolarHBondContact NH1-OG 2.9Å; R238-V255 WeakPolarHBondContact CA-O 3.44Å; R238-V255 WeakPolarHBondContact CB-O 3.31Å
239L98.7Very high95.8Very high0 Ų036 Ų360%017%0.172CC..EExtended strand (participates in β ladder)trans-106.7123.4161.5171.364.9000108.2A231 V233 V255 A257 V265 L275 T277 W287 L292A231-L239 HydrophobicContact CB-CD1 4.05Å; V233-L239 HydrophobicContact CG1-CB 4.34Å; V233-L239 HydrophobicContact CG1-CD1 3.72Å; L239-V255 HydrophobicContact CB-CG1 3.98Å; L239-V255 HydrophobicContact CD2-CG1 4.48Å; L239-V255 PolarHBondContact N-O 2.89Å; L239-V255 PolarHBondContact O-N 3.01Å; L239-A257 HydrophobicContact CB-CB 3.64Å; L239-V265 HydrophobicContact CD1-CG2 4.13Å; L239-L275 HydrophobicContact CD1-CD1 4.34Å; L239-L275 HydrophobicContact CD1-CD2 4.45Å; L239-L275 HydrophobicContact CD2-CD1 3.78Å; L239-L275 HydrophobicContact CD2-CD2 4.45Å; L239-T277 HydrophobicContact CD1-CG2 4.17Å; L239-T277 HydrophobicContact CD2-CG2 4.33Å; L239-W287 HydrophobicContact CD2-CD2 4Å; L239-W287 HydrophobicContact CD2-CE3 4.49Å; L239-W287 HydrophobicContact CD2-CG 4Å; L239-L292 HydrophobicContact CD2-CD1 4.22Å; L239-L292 HydrophobicContact CD2-CD2 3.81Å; L239-L292 HydrophobicContact CG-CD1 4.43Å
240L98.3Very high95.5Very high0 Ų037.7 Ų37.70%019%0.186CC..EExtended strand (participates in β ladder)trans-114.9137.2177.5-51.3-174.9000109.6H213 A231 S232 R238 W242 P251 Q253 S254H213-L240 WeakPolarHBondContact NE2-CD1 3.49Å; A231-L240 CarbonylContact C-O 3.54Å; A231-L240 VanDerWaalsContact CA-O 3.25Å; A231-L240 WeakPolarHBondContact CA-O 3.18Å; S232-L240 PolarHBondContact N-O 2.95Å; S232-L240 PolarHBondContact O-N 3.42Å; R238-L240 HydrophobicContact CB-CD2 4.09Å; L240-W242 HydrophobicContact CB-CZ2 4.09Å; L240-W242 HydrophobicContact CD1-CH2 4.36Å; L240-W242 HydrophobicContact CD1-CZ2 3.48Å; L240-W242 VanDerWaalsContact CD1-CZ2 3.48Å; L240-W242 HydrophobicContact CG-CZ2 4.43Å; L240-P251 HydrophobicContact CB-CB 4.17Å; L240-P251 HydrophobicContact CD2-CG 4.35Å; L240-Q253 WeakPolarHBondContact CA-O 3.34Å; L240-S254 VanDerWaalsContact CD2-CB 3.45Å; L240-S254 WeakPolarHBondContact CD2-OG 3.18Å
241L98.2Very high95.4Very high7 Ų739.3 Ų39.34%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-112.8130.9174.3-170.672.7000109.6L229 A231 P251 S252 Q253 F267 V289 L292L229-L241 HydrophobicContact CD1-CD1 3.7Å; L229-L241 HydrophobicContact CD1-CD2 3.96Å; L229-L241 HydrophobicContact CD1-CG 3.65Å; L229-L241 HydrophobicContact CD2-CD1 4.31Å; L229-L241 HydrophobicContact CG-CD1 3.96Å; L229-L241 HydrophobicContact CG-CG 4.46Å; A231-L241 HydrophobicContact CB-CD1 4.39Å; L241-P251 CarbonylContact O-C 3.58Å; L241-S252 WeakPolarHBondContact O-CB 3.33Å; L241-S252 PolarHBondContact O-N 3.31Å; L241-S252 PolarHBondContact O-OG 3.23Å; L241-Q253 HydrophobicContact CB-CB 4.17Å; L241-Q253 PolarHBondContact N-O 3.03Å; L241-Q253 PolarHBondContact O-N 2.87Å; L241-F267 HydrophobicContact CD1-CZ 3.98Å; L241-V289 HydrophobicContact CD2-CB 4.26Å; L241-L292 HydrophobicContact CB-CD1 3.88Å; L241-L292 HydrophobicContact CD2-CD1 4.34Å
242W98.2Very high95.2Very high2 Ų242.7 Ų42.71%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-125.2139-169.6-58.193.8000111.8I189 F210 L229 F230 S232 L240 P251I189-W242 HydrophobicContact CD1-CZ2 4.01Å; F210-W242 HydrophobicContact CB-CD2 4.33Å; F210-W242 HydrophobicContact CB-CE3 4.06Å; F210-W242 HydrophobicContact CB-CH2 3.97Å; F210-W242 HydrophobicContact CB-CZ2 4.23Å; F210-W242 HydrophobicContact CB-CZ3 3.89Å; F210-W242 HydrophobicContact CD1-CD2 4.29Å; F210-W242 AromaticContact CD1-CE3 3.72Å; F210-W242 HydrophobicContact CD1-CE3 3.72Å; F210-W242 HydrophobicContact CD1-CZ3 4.12Å; F210-W242 HydrophobicContact CG-CE3 4.27Å; F210-W242 HydrophobicContact CG-CZ3 4.49Å; L229-W242 WeakPolarHBondContact CA-O 3.47Å; L229-W242 WeakPolarHBondContact CD1-O 3.41Å; F230-W242 HydrophobicContact CD1-CB 3.81Å; F230-W242 HydrophobicContact CD2-CB 3.88Å; F230-W242 AromaticContact CD2-CD1 3.66Å; F230-W242 HydrophobicContact CD2-CG 4.02Å; F230-W242 HydrophobicContact CE1-CB 3.38Å; F230-W242 HydrophobicContact CE1-CG 4.18Å; F230-W242 HydrophobicContact CE2-CB 3.47Å; F230-W242 VanDerWaalsContact CE2-CB 3.47Å; F230-W242 AromaticContact CE2-CD1 3.25Å; F230-W242 HydrophobicContact CE2-CD2 4.24Å; F230-W242 AromaticContact CE2-CG 3.38Å; F230-W242 HydrophobicContact CE2-CG 3.38Å; F230-W242 AromaticContact CE2-NE1 3.98Å; F230-W242 HydrophobicContact CG-CB 4.04Å; F230-W242 HydrophobicContact CZ-CB 3.2Å; F230-W242 AromaticContact CZ-CD1 3.87Å; F230-W242 HydrophobicContact CZ-CD2 4.2Å; F230-W242 AromaticContact CZ-CG 3.48Å; F230-W242 HydrophobicContact CZ-CG 3.48Å; F230-W242 VanDerWaalsContact CZ-CG 3.48Å; F230-W242 PolarHBondContact N-O 2.86Å; F230-W242 VanDerWaalsContact N-O 3.09Å; F230-W242 PolarHBondContact O-N 3.19Å; S232-W242 PolarHBondContact OG-NE1 2.94Å; L240-W242 HydrophobicContact CB-CZ2 4.09Å; L240-W242 HydrophobicContact CD1-CH2 4.36Å; L240-W242 HydrophobicContact CD1-CZ2 3.48Å; L240-W242 VanDerWaalsContact CD1-CZ2 3.48Å; L240-W242 HydrophobicContact CG-CZ2 4.43Å; W242-P251 HydrophobicContact CD2-CB 3.89Å; W242-P251 HydrophobicContact CE3-CB 3.79Å; W242-P251 HydrophobicContact CH2-CB 3.94Å; W242-P251 HydrophobicContact CH2-CG 4.14Å; W242-P251 HydrophobicContact CZ2-CB 4.04Å; W242-P251 HydrophobicContact CZ2-CG 4.44Å; W242-P251 HydrophobicContact CZ3-CB 3.81Å; W242-P251 HydrophobicContact CZ3-CG 4.27Å
243D96.6Very high95.1Very high45 Ų4545.4 Ų45.424%0.24123%0.233CC..EExtended strand (participates in β ladder)trans-100.5117.3161.1-174.4-31.6000107.4Y228 R245 A246Y228-D243 CarbonylContact O-C 3.52Å; Y228-D243 WeakPolarHBondContact O-CA 3.39Å; D243-R245 PolarHBondContact O-N 2.97Å; D243-R245 VanDerWaalsContact O-N 3.11Å; D243-R245 VanDerWaalsContact OD1-CB 3.27Å; D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.41Å; D243-R245 IonicContact OD1-CZ 3.8Å; D243-R245 PolarHBondContact OD1-N 3.42Å; D243-R245 IonicContact OD1-NE 2.98Å; D243-R245 PolarHBondContact OD1-NE 3.45Å; D243-R245 IonicContact OD1-NH2 3.73Å; D243-R245 IonicContact OD2-CZ 3.51Å; D243-R245 IonicContact OD2-NE 3.44Å; D243-R245 PolarHBondContact OD2-NE 2.68Å; D243-R245 IonicContact OD2-NH2 2.73Å; D243-R245 PolarHBondContact OD2-NH2 3.08Å; D243-A246 HydrophobicContact CB-CB 3.99Å; D243-A246 WeakPolarHBondContact O-CB 3.46Å; D243-A246 PolarHBondContact O-N 2.99Å
244S96Very high95Very high16 Ų1648 Ų4811%0.11225%0.25CS..THydrogen-bonded Turntrans-64.6-14.3-17766.10000113.7Y228Y228-S244 WeakPolarHBondContact CA-OG 3.37Å; Y228-S244 PolarHBondContact O-N 3.46Å; Y228-S244 PolarHBondContact O-OG 3.5Å
245R94.7Very high95Very high167 Ų16749 Ų4963%0.6326%0.257SS*.THydrogen-bonded Turntrans-89.1-16174.7-52168.4-64.1175.15.5112.5Y228 D243Y228-R245 HydrophobicContact CD1-CG 3.46Å; Y228-R245 VanDerWaalsContact CD1-CG 3.46Å; Y228-R245 HydrophobicContact CD2-CG 4.5Å; Y228-R245 HydrophobicContact CE1-CG 3.99Å; Y228-R245 VanDerWaalsContact CG-CD 3.46Å; Y228-R245 HydrophobicContact CG-CG 3.75Å; D243-R245 PolarHBondContact O-N 2.97Å; D243-R245 VanDerWaalsContact O-N 3.11Å; D243-R245 VanDerWaalsContact OD1-CB 3.27Å; D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.41Å; D243-R245 IonicContact OD1-CZ 3.8Å; D243-R245 PolarHBondContact OD1-N 3.42Å; D243-R245 IonicContact OD1-NE 2.98Å; D243-R245 PolarHBondContact OD1-NE 3.45Å; D243-R245 IonicContact OD1-NH2 3.73Å; D243-R245 IonicContact OD2-CZ 3.51Å; D243-R245 IonicContact OD2-NE 3.44Å; D243-R245 PolarHBondContact OD2-NE 2.68Å; D243-R245 IonicContact OD2-NH2 2.73Å; D243-R245 PolarHBondContact OD2-NH2 3.08Å
246A91.1Very high94.9Very high48 Ų4853.9 Ų53.940%0.39727%0.272SS..SBendtrans-84177.718000000111.3D243 S248D243-A246 HydrophobicContact CB-CB 3.99Å; D243-A246 WeakPolarHBondContact O-CB 3.46Å; D243-A246 PolarHBondContact O-N 2.99Å; A246-S248 PolarHBondContact O-N 2.65Å
247N83.4Confident94.9Very high100 Ų10053.1 Ų53.154%0.53527%0.268SS..  trans-65.4129.1179.2-173-0.7000111Y249 S250N247-Y249 PolarHBondContact O-N 3.39Å; N247-Y249 VanDerWaalsContact OD1-CD2 3.26Å; N247-Y249 WeakPolarHBondContact OD1-CD2 3.04Å; N247-Y249 PolarHBondContact OD1-N 3.36Å; N247-S250 PolarHBondContact O-N 2.88Å; N247-S250 VanDerWaalsContact O-N 3.15Å; N247-S250 PolarHBondContact O-OG 3.48Å
248S84.3Confident94.9Very high22 Ų2253.2 Ų53.215%0.15427%0.268CS..THydrogen-bonded Turntrans-65.1-7.9-176.6-380000114.9M209 F210 K211 A246M209-S248 WeakPolarHBondContact O-CB 3.49Å; F210-S248 CarbonylContact C-O 3.49Å; F210-S248 VanDerWaalsContact CA-O 3.24Å; F210-S248 WeakPolarHBondContact CA-O 3.36Å; K211-S248 PolarHBondContact N-O 2.88Å; A246-S248 PolarHBondContact O-N 2.65Å
249Y88.4Confident94.9Very high151 Ų15154.5 Ų54.559%0.59228%0.283SS*.THydrogen-bonded Turntrans-98.2-5.1177.6-60.5-83.2000114.3K211 N247K211-Y249 HydrophobicContact CB-CD1 4.01Å; K211-Y249 HydrophobicContact CB-CE1 4.24Å; K211-Y249 HydrophobicContact CD-CD1 4.46Å; K211-Y249 HydrophobicContact CD-CE1 3.86Å; K211-Y249 HydrophobicContact CG-CD1 4.34Å; K211-Y249 HydrophobicContact CG-CE1 4.1Å; N247-Y249 PolarHBondContact O-N 3.39Å; N247-Y249 VanDerWaalsContact OD1-CD2 3.26Å; N247-Y249 WeakPolarHBondContact OD1-CD2 3.04Å; N247-Y249 PolarHBondContact OD1-N 3.36Å
250S90.8Very high94.8Very high63 Ų6355.8 Ų55.844%0.44129%0.293SS..  trans-131.697.5-174.656.10000110.3N247N247-S250 PolarHBondContact O-N 2.88Å; N247-S250 VanDerWaalsContact O-N 3.15Å; N247-S250 PolarHBondContact O-OG 3.48Å
251P95.4Very high94.9Very high33 Ų3359.3 Ų59.321%0.21431%0.31CS..  trans-60.7145.5170.927.4-34000109.5L240 L241 W242 Q253L240-P251 HydrophobicContact CB-CB 4.17Å; L240-P251 HydrophobicContact CD2-CG 4.35Å; L241-P251 CarbonylContact O-C 3.58Å; W242-P251 HydrophobicContact CD2-CB 3.89Å; W242-P251 HydrophobicContact CE3-CB 3.79Å; W242-P251 HydrophobicContact CH2-CB 3.94Å; W242-P251 HydrophobicContact CH2-CG 4.14Å; W242-P251 HydrophobicContact CZ2-CB 4.04Å; W242-P251 HydrophobicContact CZ2-CG 4.44Å; W242-P251 HydrophobicContact CZ3-CB 3.81Å; W242-P251 HydrophobicContact CZ3-CG 4.27Å; P251-Q253 PolarHBondContact O-N 3.08Å
252S95.1Very high94.9Very high72 Ų7259 Ų5950%0.50331%0.308SS..SBendtrans-62.5-35.7178.367.20000111.9L241L241-S252 WeakPolarHBondContact O-CB 3.33Å; L241-S252 PolarHBondContact O-N 3.31Å; L241-S252 PolarHBondContact O-OG 3.23Å
253Q96.9Very high94.9Very high57 Ų5761.1 Ų61.127%0.26632%0.317SS..EExtended strand (participates in β ladder)trans-142.4147.4173.2-67.3-178.777.600109.5L240 L241 P251 V289 L292L240-Q253 WeakPolarHBondContact CA-O 3.34Å; L241-Q253 HydrophobicContact CB-CB 4.17Å; L241-Q253 PolarHBondContact N-O 3.03Å; L241-Q253 PolarHBondContact O-N 2.87Å; P251-Q253 PolarHBondContact O-N 3.08Å; Q253-V289 PolarHBondContact NE2-O 3.3Å; Q253-L292 HydrophobicContact CB-CD1 3.97Å
254S96.6Very high95Very high53 Ų5359 Ų5937%0.37131%0.305SS..EExtended strand (participates in β ladder)trans-143.8124.1176.5-179.70000108.6R238 L240R238-S254 PolarHBondContact NH1-OG 2.9Å; L240-S254 VanDerWaalsContact CD2-CB 3.45Å; L240-S254 WeakPolarHBondContact CD2-OG 3.18Å
255V97.9Very high95.1Very high23 Ų2358.4 Ų58.414%0.13930%0.301CS..EExtended strand (participates in β ladder)trans-133.7150.7177.868.10000110.2R238 L239 A257 W287 L292R238-V255 WeakPolarHBondContact CA-O 3.44Å; R238-V255 WeakPolarHBondContact CB-O 3.31Å; L239-V255 HydrophobicContact CB-CG1 3.98Å; L239-V255 HydrophobicContact CD2-CG1 4.48Å; L239-V255 PolarHBondContact N-O 2.89Å; L239-V255 PolarHBondContact O-N 3.01Å; V255-A257 PolarHBondContact O-N 2.75Å; V255-W287 HydrophobicContact CG1-CH2 4.43Å; V255-W287 HydrophobicContact CG1-CZ3 4.19Å; V255-L292 WeakPolarHBondContact CB-O 3.02Å; V255-L292 HydrophobicContact CG1-CB 4.18Å; V255-L292 WeakPolarHBondContact CG1-O 3.25Å; V255-L292 VanDerWaalsContact CG2-O 3.29Å; V255-L292 WeakPolarHBondContact CG2-O 3.09Å
256R98.1Very high95.3Very high146 Ų14651.5 Ų51.555%0.55128%0.277SS*.EExtended strand (participates in β ladder)trans-74.6103.6162.4-177.6176.6-17585.60.2107.4G237 H258 N259G237-R256 CarbonylContact O-C 3.33Å; R256-H258 WeakPolarHBondContact CG-O 3.02Å; R256-H258 PolarHBondContact NE-O 3.26Å; R256-N259 PolarHBondContact NH2-O 2.75Å; R256-N259 VanDerWaalsContact NH2-O 3.15Å
257A97.9Very high95.7Very high4 Ų449.2 Ų49.23%0.03326%0.258CS..  trans-78.3-43.8-173.300000111.7G237 L239 V255 V262 W287 K295G237-A257 PolarHBondContact O-N 2.83Å; L239-A257 HydrophobicContact CB-CB 3.64Å; V255-A257 PolarHBondContact O-N 2.75Å; A257-V262 HydrophobicContact CB-CG2 4.35Å; A257-W287 HydrophobicContact CB-CH2 4.01Å; A257-W287 HydrophobicContact CB-CZ2 3.55Å; A257-W287 WeakPolarHBondContact O-CZ2 3.18Å; A257-K295 WeakPolarHBondContact O-CE 3.16Å; A257-K295 PolarHBondContact O-NZ 3.41Å
258H98.4Very high96.4Very high3 Ų344.6 Ų44.61%0.01423%0.233CC..  trans-132.7169.3-176.3-73.1-99.3000111.3G237 R256 V262 T277 S279 D281 T283 A285 K295G237-H258 PolarHBondContact O-N 2.67Å; R256-H258 WeakPolarHBondContact CG-O 3.02Å; R256-H258 PolarHBondContact NE-O 3.26Å; H258-V262 HydrophobicContact CB-CG2 3.68Å; H258-T277 PolarHBondContact NE2-OG1 2.85Å; H258-S279 VanDerWaalsContact CB-OG 3.31Å; H258-S279 WeakPolarHBondContact CB-OG 3.38Å; H258-S279 WeakPolarHBondContact ND1-CB 3.32Å; H258-D281 WeakPolarHBondContact CB-OD2 3.38Å; H258-D281 IonicContact CE1-OD1 3.23Å; H258-D281 IonicContact CG-OD1 2.75Å; H258-D281 IonicContact CG-OD2 3.55Å; H258-D281 IonicContact ND1-OD1 4Å; H258-D281 PolarHBondContact ND1-OD1 3.13Å; H258-D281 IonicContact ND1-OD2 3.42Å; H258-D281 PolarHBondContact ND1-OD2 3.43Å; H258-T283 PolarHBondContact CE1-O 3.04Å; H258-T283 PolarHBondContact CE1-OG1 2.81Å; H258-T283 PolarHBondContact ND1-OG1 2.95Å; H258-A285 WeakPolarHBondContact NE2-CB 3.01Å; H258-K295 PolarHBondContact ND1-NZ 3.43Å
259N97.1Very high97.1Very high133 Ų13345.9 Ų45.971%0.71124%0.241SC*.SBendtrans-85.9-12.1178.4-73-43000113.6R256 D281R256-N259 PolarHBondContact NH2-O 2.75Å; R256-N259 VanDerWaalsContact NH2-O 3.15Å; N259-D281 PolarHBondContact N-OD2 3.45Å
260A98.5Very high97.5Very high26 Ų2643.4 Ų43.422%0.21523%0.233CC..SBendtrans-129.3-170.8175.800000109.9G237 A280 D281G237-A260 WeakPolarHBondContact CA-O 3.35Å; A260-A280 HydrophobicContact CB-CB 3.83Å; A260-D281 HydrophobicContact CB-CB 3.98Å
261E98.7Very high97.9Very high75 Ų7542.5 Ų42.535%0.3522%0.223SC..  trans-54.6140.2177.2-6377.9-175.100111.2D235 Y263 S279 A280D235-E261 HydrophobicContact CB-CG 3.99Å; D235-E261 WeakPolarHBondContact OD1-CB 3.18Å; D235-E261 VanDerWaalsContact OD1-CG 3.25Å; D235-E261 WeakPolarHBondContact OD1-CG 3.49Å; E261-Y263 HydrophobicContact CB-CE1 3.91Å; E261-S279 CarbonylContact O-C 3.59Å; E261-S279 VanDerWaalsContact O-CA 3.24Å; E261-S279 WeakPolarHBondContact O-CA 3.21Å; E261-S279 VanDerWaalsContact O-CB 3.26Å; E261-S279 WeakPolarHBondContact O-CB 3.27Å; E261-S279 PolarHBondContact O-OG 2.95Å; E261-A280 HydrophobicContact CB-CB 4.12Å; E261-A280 PolarHBondContact O-N 3.14Å
262V98.9Very high97.9Very high0 Ų046.4 Ų46.40%024%0.239CC..EExtended strand (participates in β ladder)trans-112.7111.6179.2-174.30000108.7E218 V233 G234 A257 H258 T277 G278E218-V262 WeakPolarHBondContact CB-O 3.5Å; V233-V262 HydrophobicContact CB-CB 3.87Å; V233-V262 HydrophobicContact CB-CG1 3.51Å; V233-V262 HydrophobicContact CG1-CB 4.35Å; V233-V262 HydrophobicContact CG1-CG1 3.58Å; V233-V262 HydrophobicContact CG2-CB 4.5Å; V233-V262 HydrophobicContact CG2-CG1 3.95Å; G234-V262 PolarHBondContact N-O 3.41Å; G234-V262 PolarHBondContact O-N 2.78Å; G234-V262 VanDerWaalsContact O-N 3.16Å; A257-V262 HydrophobicContact CB-CG2 4.35Å; H258-V262 HydrophobicContact CB-CG2 3.68Å; V262-T277 HydrophobicContact CG1-CG2 4.38Å; V262-G278 CarbonylContact C-O 3.48Å; V262-G278 WeakPolarHBondContact CG1-O 3.49Å
263Y98.8Very high98.1Very high47 Ų4744.4 Ų44.418%0.18422%0.223CC..EExtended strand (participates in β ladder)trans-90.6-24.2-168.4-66.3-50.3000114.6E218 D219 E261 G278 A280 D305 F307E218-Y263 HydrophobicContact CG-CD1 3.98Å; D219-Y263 WeakPolarHBondContact CB-O 3.34Å; E261-Y263 HydrophobicContact CB-CE1 3.91Å; Y263-G278 PolarHBondContact N-O 2.86Å; Y263-A280 HydrophobicContact CE2-CB 3.63Å; Y263-D305 HydrophobicContact CE2-CB 4.04Å; Y263-F307 AromaticContact CD2-CD1 3.74Å; Y263-F307 HydrophobicContact CD2-CD1 3.74Å; Y263-F307 HydrophobicContact CD2-CE1 4.14Å; Y263-F307 HydrophobicContact CE2-CD1 4.07Å; Y263-F307 AromaticContact CE2-CE1 3.97Å; Y263-F307 HydrophobicContact CE2-CE1 3.97Å; Y263-F307 HydrophobicContact CG-CD1 4.22Å
264C98.7Very high98.1Very high0 Ų042.8 Ų42.80%022%0.216CC..EExtended strand (participates in β ladder)trans-148.9154.4-173.853.20000112.7T277 G278 F307 Q308 V309C264-T277 VanDerWaalsContact O-CA 3.28Å; C264-T277 WeakPolarHBondContact O-CA 3.4Å; C264-G278 PolarHBondContact O-N 2.92Å; C264-G278 VanDerWaalsContact O-N 3.17Å; C264-G278 WeakPolarHBondContact SG-CA 3.33Å; C264-G278 PolarHBondContact SG-N 2.91Å; C264-G278 VanDerWaalsContact SG-N 3.43Å; C264-F307 WeakPolarHBondContact CB-O 3.15Å; C264-F307 PolarHBondContact SG-O 2.84Å; C264-Q308 WeakPolarHBondContact SG-CA 3.25Å; C264-V309 HydrophobicContact CB-CG2 4.32Å; C264-V309 PolarHBondContact SG-N 3.01Å
265V98.9Very high98.2Very high3 Ų340.3 Ų40.32%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-146.5135.6174.561.20000110.3D219 C221 A231 V233 L239 L275 A276 T277D219-V265 HydrophobicContact CB-CG1 4.33Å; C221-V265 HydrophobicContact CB-CG1 4.03Å; C221-V265 VanDerWaalsContact CB-O 3.31Å; C221-V265 WeakPolarHBondContact CB-O 3.31Å; A231-V265 HydrophobicContact CB-CG2 3.93Å; V233-V265 HydrophobicContact CG1-CB 3.85Å; V233-V265 HydrophobicContact CG1-CG1 4.21Å; V233-V265 HydrophobicContact CG1-CG2 4.41Å; V233-V265 HydrophobicContact CG2-CB 4.05Å; V233-V265 HydrophobicContact CG2-CG1 3.94Å; L239-V265 HydrophobicContact CD1-CG2 4.13Å; V265-L275 HydrophobicContact CG2-CD1 4.12Å; V265-L275 HydrophobicContact CG2-CD2 4.47Å; V265-A276 VanDerWaalsContact CA-O 3.32Å; V265-A276 WeakPolarHBondContact CA-O 3.22Å; V265-T277 HydrophobicContact CB-CG2 4.2Å; V265-T277 HydrophobicContact CG2-CG2 3.99Å
266D98.8Very high98.3Very high22 Ų2239.2 Ų39.212%0.11819%0.192CC..EExtended strand (participates in β ladder)trans-141.7137.9174.8-16631.1000112.5C221 L275 A276 V309 I310 W311C221-D266 PolarHBondContact SG-OD1 2.9Å; D266-L275 CarbonylContact O-C 3.48Å; D266-L275 VanDerWaalsContact O-CA 3.22Å; D266-L275 WeakPolarHBondContact O-CA 3.46Å; D266-L275 WeakPolarHBondContact O-CB 3.35Å; D266-A276 PolarHBondContact N-O 2.81Å; D266-A276 PolarHBondContact O-N 2.98Å; D266-V309 HydrophobicContact CB-CG2 4.37Å; D266-V309 WeakPolarHBondContact CB-O 3.35Å; D266-I310 WeakPolarHBondContact OD2-CA 3.33Å; D266-W311 PolarHBondContact O-NE1 2.84Å; D266-W311 VanDerWaalsContact O-NE1 3.13Å; D266-W311 PolarHBondContact OD2-N 2.81Å
267F98.8Very high98.3Very high1 Ų132.2 Ų32.20%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-86140176.8-82.1-86.2000110.3C221 H223 N224 A231 L241 L275 V289C221-F267 HydrophobicContact CB-CD2 4.16Å; C221-F267 VanDerWaalsContact O-CE2 3.31Å; C221-F267 WeakPolarHBondContact O-CE2 3.44Å; H223-F267 AromaticContact CD2-CD1 3.49Å; H223-F267 VanDerWaalsContact CD2-CD1 3.49Å; H223-F267 WeakPolarHBondContact CD2-CD1 3.46Å; H223-F267 AromaticContact CD2-CE1 3.51Å; N224-F267 WeakPolarHBondContact ND2-CB 3.37Å; N224-F267 PolarHBondContact ND2-O 3.4Å; A231-F267 HydrophobicContact CB-CE2 3.51Å; A231-F267 HydrophobicContact CB-CZ 3.72Å; L241-F267 HydrophobicContact CD1-CZ 3.98Å; F267-L275 HydrophobicContact CD1-CB 3.94Å; F267-L275 HydrophobicContact CD1-CD2 4.34Å; F267-L275 HydrophobicContact CE1-CB 4.23Å; F267-L275 HydrophobicContact CE1-CD2 3.78Å; F267-L275 HydrophobicContact CE2-CD2 4.43Å; F267-L275 HydrophobicContact CG-CB 4.26Å; F267-L275 HydrophobicContact CZ-CD2 3.82Å; F267-V289 HydrophobicContact CE1-CG1 3.79Å
268N98.6Very high98.4Very high3 Ų332 Ų322%0.01616%0.164CC..  trans-64.3132173.4-174.1-64000109.8N224 F270 N271 L274 W311 E316N224-N268 VanDerWaalsContact ND2-C 3.28Å; N224-N268 PolarHBondContact ND2-O 2.98Å; N268-F270 VanDerWaalsContact C-N 3.32Å; N268-F270 WeakPolarHBondContact OD1-CA 3.45Å; N268-F270 PolarHBondContact OD1-N 3.4Å; N268-N271 HydrophobicContact CB-CB 4.44Å; N268-N271 PolarHBondContact OD1-N 2.78Å; N268-L274 HydrophobicContact CB-CB 3.84Å; N268-L274 PolarHBondContact N-O 3.13Å; N268-W311 HydrophobicContact CB-CD2 3.91Å; N268-W311 HydrophobicContact CB-CE3 4.36Å; N268-W311 HydrophobicContact CB-CG 4.24Å; N268-W311 HydrophobicContact CB-CZ2 4.15Å; N268-W311 WeakPolarHBondContact ND2-CZ3 3.23Å; N268-E316 PolarHBondContact ND2-O 2.83Å
269P97.6Very high98.4Very high49 Ų4931.9 Ų31.932%0.31816%0.163SC..SBendtrans-77-15.9-176.926.6-30.4000114N224 W311 S312N224-P269 WeakPolarHBondContact ND2-CA 3.47Å; P269-W311 VanDerWaalsContact CD-CB 3.45Å; P269-W311 HydrophobicContact CG-CB 4.26Å; P269-S312 WeakPolarHBondContact CG-O 3.31Å
270F97.9Very high98.4Very high98 Ų9826.3 Ų26.343%0.4314%0.135SC..SBendtrans-105.1-44.5-178.1-57.2-85.3000112N268 S312 P313 E316N268-F270 VanDerWaalsContact C-N 3.32Å; N268-F270 WeakPolarHBondContact OD1-CA 3.45Å; N268-F270 PolarHBondContact OD1-N 3.4Å; F270-S312 WeakPolarHBondContact CE2-O 3.47Å; F270-P313 VanDerWaalsContact CZ-O 3.31Å; F270-P313 WeakPolarHBondContact CZ-O 3.42Å; F270-E316 HydrophobicContact CB-CB 3.88Å; F270-E316 HydrophobicContact CB-CG 3.79Å; F270-E316 VanDerWaalsContact CD2-CA 3.46Å; F270-E316 HydrophobicContact CD2-CB 3.96Å; F270-E316 HydrophobicContact CG-CB 3.96Å; F270-E316 HydrophobicContact CG-CG 4.42Å
271N97.7Very high98.5Very high44 Ų4426.9 Ų26.924%0.23514%0.135CC..  trans-101.3105.6179.4-167.2-36000111.5N268 N273 L274N268-N271 HydrophobicContact CB-CB 4.44Å; N268-N271 PolarHBondContact OD1-N 2.78Å; N271-N273 PolarHBondContact O-N 2.71Å; N271-N273 WeakPolarHBondContact OD1-CB 3.32Å; N271-N273 PolarHBondContact OD1-N 2.84Å; N271-L274 HydrophobicContact CB-CB 4.37Å; N271-L274 HydrophobicContact CB-CD1 4.02Å; N271-L274 HydrophobicContact CB-CG 4.12Å; N271-L274 PolarHBondContact O-N 2.94Å; N271-L274 VanDerWaalsContact O-N 3.13Å
272E97.1Very high98.4Very high115 Ų11527.8 Ų27.854%0.53714%0.137SC..THydrogen-bonded Turntrans-60.3-13.1-179.763.4176.3-165.600115.1H223H223-E272 WeakPolarHBondContact NE2-CA 3.31Å; H223-E272 PolarHBondContact NE2-O 3.25Å
273N97.7Very high98.4Very high30 Ų3028.7 Ų28.716%0.1614%0.143CC..THydrogen-bonded Turntrans-96.5-11.4-178.1-57.9-71.6000113N271 D288 V289 R290N271-N273 PolarHBondContact O-N 2.71Å; N271-N273 WeakPolarHBondContact OD1-CB 3.32Å; N271-N273 PolarHBondContact OD1-N 2.84Å; N273-D288 CarbonylContact O-C 3.59Å; N273-D288 WeakPolarHBondContact O-CA 3.11Å; N273-V289 PolarHBondContact O-N 3.38Å; N273-R290 HydrophobicContact CB-CG 4.5Å; N273-R290 WeakPolarHBondContact OD1-CD 3.37Å; N273-R290 WeakPolarHBondContact OD1-CG 3.34Å
274L98.3Very high98.4Very high24 Ų2426.4 Ų26.413%0.12613%0.134CC..EExtended strand (participates in β ladder)trans-103.7139.3-172.5-62.4-178.6000112.1N268 N271 L286 W287 L296 L333N268-L274 HydrophobicContact CB-CB 3.84Å; N268-L274 PolarHBondContact N-O 3.13Å; N271-L274 HydrophobicContact CB-CB 4.37Å; N271-L274 HydrophobicContact CB-CD1 4.02Å; N271-L274 HydrophobicContact CB-CG 4.12Å; N271-L274 PolarHBondContact O-N 2.94Å; N271-L274 VanDerWaalsContact O-N 3.13Å; L274-L286 HydrophobicContact CB-CD1 4.47Å; L274-L286 HydrophobicContact CD2-CD1 4.34Å; L274-W287 WeakPolarHBondContact CA-O 3.14Å; L274-L296 HydrophobicContact CD2-CD1 3.59Å; L274-L333 HydrophobicContact CD1-CD2 4.36Å
275L98.6Very high98.4Very high0 Ų026.4 Ų26.40%013%0.134CC..EExtended strand (participates in β ladder)trans-139.6160.516466.279000110.1A231 L239 V265 D266 F267 T277 W287 V289A231-L275 HydrophobicContact CB-CD2 4.06Å; L239-L275 HydrophobicContact CD1-CD1 4.34Å; L239-L275 HydrophobicContact CD1-CD2 4.45Å; L239-L275 HydrophobicContact CD2-CD1 3.78Å; L239-L275 HydrophobicContact CD2-CD2 4.45Å; V265-L275 HydrophobicContact CG2-CD1 4.12Å; V265-L275 HydrophobicContact CG2-CD2 4.47Å; D266-L275 CarbonylContact O-C 3.48Å; D266-L275 VanDerWaalsContact O-CA 3.22Å; D266-L275 WeakPolarHBondContact O-CA 3.46Å; D266-L275 WeakPolarHBondContact O-CB 3.35Å; F267-L275 HydrophobicContact CD1-CB 3.94Å; F267-L275 HydrophobicContact CD1-CD2 4.34Å; F267-L275 HydrophobicContact CE1-CB 4.23Å; F267-L275 HydrophobicContact CE1-CD2 3.78Å; F267-L275 HydrophobicContact CE2-CD2 4.43Å; F267-L275 HydrophobicContact CG-CB 4.26Å; F267-L275 HydrophobicContact CZ-CD2 3.82Å; L275-T277 HydrophobicContact CD1-CG2 4.01Å; L275-W287 HydrophobicContact CD1-CB 3.67Å; L275-W287 HydrophobicContact CD1-CG 3.8Å; L275-W287 HydrophobicContact CG-CB 4.05Å; L275-W287 PolarHBondContact N-O 2.78Å; L275-W287 PolarHBondContact O-N 3.04Å; L275-V289 HydrophobicContact CB-CG1 4.49Å; L275-V289 HydrophobicContact CD2-CG1 3.4Å; L275-V289 HydrophobicContact CG-CG1 3.85Å
276A98.8Very high98.4Very high0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-119.6152.3173.600000110.7V265 D266 A285 V309 W311 L319V265-A276 VanDerWaalsContact CA-O 3.32Å; V265-A276 WeakPolarHBondContact CA-O 3.22Å; D266-A276 PolarHBondContact N-O 2.81Å; D266-A276 PolarHBondContact O-N 2.98Å; A276-A285 CarbonylContact C-O 3.6Å; A276-A285 WeakPolarHBondContact CA-O 2.95Å; A276-V309 HydrophobicContact CB-CB 4.5Å; A276-V309 HydrophobicContact CB-CG2 4.14Å; A276-W311 HydrophobicContact CB-CZ2 4.07Å; A276-L319 HydrophobicContact CB-CD1 3.89Å; A276-L319 HydrophobicContact CB-CD2 3.7Å; A276-L319 HydrophobicContact CB-CG 4.48Å
277T98.9Very high98.4Very high0 Ų025.9 Ų25.90%013%0.131CC..EExtended strand (participates in β ladder)trans-131.2150.3172.355.90000110.8V233 L239 H258 V262 C264 V265 L275 A284 A285 W287V233-T277 HydrophobicContact CG1-CG2 3.99Å; L239-T277 HydrophobicContact CD1-CG2 4.17Å; L239-T277 HydrophobicContact CD2-CG2 4.33Å; H258-T277 PolarHBondContact NE2-OG1 2.85Å; V262-T277 HydrophobicContact CG1-CG2 4.38Å; C264-T277 VanDerWaalsContact O-CA 3.28Å; C264-T277 WeakPolarHBondContact O-CA 3.4Å; V265-T277 HydrophobicContact CB-CG2 4.2Å; V265-T277 HydrophobicContact CG2-CG2 3.99Å; L275-T277 HydrophobicContact CD1-CG2 4.01Å; T277-A284 CarbonylContact O-C 3.52Å; T277-A284 WeakPolarHBondContact O-CA 3.22Å; T277-A285 PolarHBondContact N-O 3Å; T277-A285 PolarHBondContact O-N 3.45Å; T277-W287 PolarHBondContact OG1-NE1 3.26Å
278G98.8Very high98.4Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-124.3148.9172.600000111.8V262 Y263 C264 V306V262-G278 CarbonylContact C-O 3.48Å; V262-G278 WeakPolarHBondContact CG1-O 3.49Å; Y263-G278 PolarHBondContact N-O 2.86Å; C264-G278 PolarHBondContact O-N 2.92Å; C264-G278 VanDerWaalsContact O-N 3.17Å; C264-G278 WeakPolarHBondContact SG-CA 3.33Å; C264-G278 PolarHBondContact SG-N 2.91Å; C264-G278 VanDerWaalsContact SG-N 3.43Å; G278-V306 CarbonylContact C-O 3.59Å
279S98.8Very high98.3Very high0 Ų027.3 Ų27.30%014%0.139CC..EExtended strand (participates in β ladder)trans-144.9159.3-166.91770000114.3H258 E261 D281 K282 T283 V306H258-S279 VanDerWaalsContact CB-OG 3.31Å; H258-S279 WeakPolarHBondContact CB-OG 3.38Å; H258-S279 WeakPolarHBondContact ND1-CB 3.32Å; E261-S279 CarbonylContact O-C 3.59Å; E261-S279 VanDerWaalsContact O-CA 3.24Å; E261-S279 WeakPolarHBondContact O-CA 3.21Å; E261-S279 VanDerWaalsContact O-CB 3.26Å; E261-S279 WeakPolarHBondContact O-CB 3.27Å; E261-S279 PolarHBondContact O-OG 2.95Å; S279-D281 WeakPolarHBondContact CB-OD1 3.5Å; S279-D281 PolarHBondContact O-N 2.93Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 PolarHBondContact OG-OD1 2.83Å; S279-K282 PolarHBondContact O-N 2.9Å; S279-K282 VanDerWaalsContact O-N 3.14Å; S279-T283 PolarHBondContact N-O 3.37Å; S279-V306 PolarHBondContact N-O 2.82Å; S279-V306 PolarHBondContact O-N 3.08Å
280A98.7Very high98.2Very high15 Ų1532.9 Ų32.912%0.12415%0.153CC..THydrogen-bonded Turntrans-61.7-11.4163.900000113.8A260 E261 Y263 K282 D305A260-A280 HydrophobicContact CB-CB 3.83Å; E261-A280 HydrophobicContact CB-CB 4.12Å; E261-A280 PolarHBondContact O-N 3.14Å; Y263-A280 HydrophobicContact CE2-CB 3.63Å; A280-K282 PolarHBondContact O-N 3.04Å; A280-D305 WeakPolarHBondContact CA-OD1 3.1Å
281D98.5Very high98Very high39 Ų3932.6 Ų32.621%0.20915%0.153CC..THydrogen-bonded Turntrans-777.6170.378.14.9000113.5H258 N259 A260 S279 T283H258-D281 WeakPolarHBondContact CB-OD2 3.38Å; H258-D281 IonicContact CE1-OD1 3.23Å; H258-D281 IonicContact CG-OD1 2.75Å; H258-D281 IonicContact CG-OD2 3.55Å; H258-D281 IonicContact ND1-OD1 4Å; H258-D281 PolarHBondContact ND1-OD1 3.13Å; H258-D281 IonicContact ND1-OD2 3.42Å; H258-D281 PolarHBondContact ND1-OD2 3.43Å; N259-D281 PolarHBondContact N-OD2 3.45Å; A260-D281 HydrophobicContact CB-CB 3.98Å; S279-D281 WeakPolarHBondContact CB-OD1 3.5Å; S279-D281 PolarHBondContact O-N 2.93Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 PolarHBondContact OG-OD1 2.83Å; D281-T283 PolarHBondContact O-N 3.31Å; D281-T283 WeakPolarHBondContact OD1-CB 3.35Å; D281-T283 PolarHBondContact OD1-N 2.93Å; D281-T283 PolarHBondContact OD1-OG1 3.18Å
282K98.6Very high97.9Very high93 Ų9330.7 Ų30.740%0.40414%0.143SC..SBendtrans70.814.7175.4-43.5176.5173-153.10114S279 A280 H302 T303S279-K282 PolarHBondContact O-N 2.9Å; S279-K282 VanDerWaalsContact O-N 3.14Å; A280-K282 PolarHBondContact O-N 3.04Å; K282-H302 WeakPolarHBondContact O-CB 3.18Å; K282-T303 WeakPolarHBondContact CD-O 3.22Å; K282-T303 WeakPolarHBondContact CE-O 3.49Å; K282-T303 PolarHBondContact NZ-O 3.11Å
283T98.5Very high97.8Very high19 Ų1934.6 Ų34.612%0.11715%0.153CC..EExtended strand (participates in β ladder)trans-120.1148.8179.772.30000111.1H258 S279 D281 E300H258-T283 PolarHBondContact CE1-O 3.04Å; H258-T283 PolarHBondContact CE1-OG1 2.81Å; H258-T283 PolarHBondContact ND1-OG1 2.95Å; S279-T283 PolarHBondContact N-O 3.37Å; D281-T283 PolarHBondContact O-N 3.31Å; D281-T283 WeakPolarHBondContact OD1-CB 3.35Å; D281-T283 PolarHBondContact OD1-N 2.93Å; D281-T283 PolarHBondContact OD1-OG1 3.18Å; T283-E300 HydrophobicContact CG2-CG 4.07Å
284A98.7Very high97.7Very high0 Ų037.3 Ų37.30%017%0.171CC..EExtended strand (participates in β ladder)trans-95.3150.915500000109.1T277 S298 F299 V309T277-A284 CarbonylContact O-C 3.52Å; T277-A284 WeakPolarHBondContact O-CA 3.22Å; A284-S298 CarbonylContact O-C 3.57Å; A284-S298 WeakPolarHBondContact O-CA 3.34Å; A284-F299 HydrophobicContact CB-CB 4.16Å; A284-F299 HydrophobicContact CB-CD2 3.98Å; A284-F299 PolarHBondContact N-O 2.97Å; A284-F299 PolarHBondContact O-N 3.49Å; A284-V309 HydrophobicContact CB-CG1 4Å
285A98.7Very high97.6Very high0 Ų039 Ų390%018%0.177CC..EExtended strand (participates in β ladder)trans-131.4142-179.800000111.7H258 A276 T277 W287 K295H258-A285 WeakPolarHBondContact NE2-CB 3.01Å; A276-A285 CarbonylContact C-O 3.6Å; A276-A285 WeakPolarHBondContact CA-O 2.95Å; T277-A285 PolarHBondContact N-O 3Å; T277-A285 PolarHBondContact O-N 3.45Å; A285-W287 HydrophobicContact CB-CZ2 4.12Å; A285-K295 HydrophobicContact CB-CD 3.66Å; A285-K295 HydrophobicContact CB-CG 4.12Å
286L98.8Very high97.6Very high10 Ų1043.5 Ų43.55%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-99.2138.1176-177.365.8000110.5L274 L296 H297 F299 W311 L333L274-L286 HydrophobicContact CB-CD1 4.47Å; L274-L286 HydrophobicContact CD2-CD1 4.34Å; L286-L296 HydrophobicContact CB-CB 4.26Å; L286-L296 HydrophobicContact CD2-CB 4Å; L286-L296 HydrophobicContact CD2-CD1 4.11Å; L286-L296 HydrophobicContact CG-CB 4Å; L286-L296 HydrophobicContact CG-CD1 4.04Å; L286-L296 PolarHBondContact O-N 3.4Å; L286-H297 HydrophobicContact CB-CB 4.06Å; L286-H297 HydrophobicContact CD2-CB 4.33Å; L286-H297 PolarHBondContact N-O 3.25Å; L286-F299 HydrophobicContact CB-CE2 3.91Å; L286-F299 HydrophobicContact CB-CZ 4.29Å; L286-W311 HydrophobicContact CD1-CH2 3.85Å; L286-W311 HydrophobicContact CD1-CZ2 3.77Å; L286-L333 HydrophobicContact CD1-CD2 3.94Å; L286-L333 HydrophobicContact CD2-CD2 3.58Å; L286-L333 HydrophobicContact CD2-CG 4.15Å; L286-L333 HydrophobicContact CG-CD2 4.41Å
287W98.7Very high97.6Very high4 Ų445.7 Ų45.72%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-135145.4-175.6-56.687.6000112.6L239 V255 A257 L274 L275 T277 A285 L292 K295L239-W287 HydrophobicContact CD2-CD2 4Å; L239-W287 HydrophobicContact CD2-CE3 4.49Å; L239-W287 HydrophobicContact CD2-CG 4Å; V255-W287 HydrophobicContact CG1-CH2 4.43Å; V255-W287 HydrophobicContact CG1-CZ3 4.19Å; A257-W287 HydrophobicContact CB-CH2 4.01Å; A257-W287 HydrophobicContact CB-CZ2 3.55Å; A257-W287 WeakPolarHBondContact O-CZ2 3.18Å; L274-W287 WeakPolarHBondContact CA-O 3.14Å; L275-W287 HydrophobicContact CD1-CB 3.67Å; L275-W287 HydrophobicContact CD1-CG 3.8Å; L275-W287 HydrophobicContact CG-CB 4.05Å; L275-W287 PolarHBondContact N-O 2.78Å; L275-W287 PolarHBondContact O-N 3.04Å; T277-W287 PolarHBondContact OG1-NE1 3.26Å; A285-W287 HydrophobicContact CB-CZ2 4.12Å; W287-L292 HydrophobicContact CB-CD2 3.82Å; W287-L292 HydrophobicContact CE3-CD2 4.33Å; W287-L292 HydrophobicContact CG-CD2 4.43Å; W287-K295 HydrophobicContact CD2-CG 4.39Å; W287-K295 HydrophobicContact CE3-CG 4.27Å; W287-K295 HydrophobicContact CH2-CB 4.4Å; W287-K295 HydrophobicContact CH2-CD 4.25Å; W287-K295 HydrophobicContact CH2-CG 3.28Å; W287-K295 HydrophobicContact CZ2-CD 4.1Å; W287-K295 HydrophobicContact CZ2-CG 3.42Å; W287-K295 VanDerWaalsContact CZ2-CG 3.42Å; W287-K295 HydrophobicContact CZ3-CB 4.45Å; W287-K295 HydrophobicContact CZ3-CG 3.76Å
288D98.1Very high97.5Very high22 Ų2247.1 Ų47.112%0.11822%0.22CC..EExtended strand (participates in β ladder)trans-98.3115.7165-170.4-33.4000109.4N273 R290 H291 L292 L296N273-D288 CarbonylContact O-C 3.59Å; N273-D288 WeakPolarHBondContact O-CA 3.11Å; D288-R290 PolarHBondContact O-N 3.46Å; D288-R290 VanDerWaalsContact O-N 3.14Å; D288-R290 WeakPolarHBondContact OD1-CB 3.5Å; D288-R290 VanDerWaalsContact OD1-CG 3.32Å; D288-R290 WeakPolarHBondContact OD1-CG 3.49Å; D288-R290 IonicContact OD1-CZ 3.81Å; D288-R290 PolarHBondContact OD1-N 2.83Å; D288-R290 IonicContact OD1-NE 2.86Å; D288-R290 PolarHBondContact OD1-NE 3.32Å; D288-R290 IonicContact OD1-NH2 3.69Å; D288-R290 IonicContact OD2-CZ 2.87Å; D288-R290 VanDerWaalsContact OD2-CZ 3.31Å; D288-R290 IonicContact OD2-NE 2.91Å; D288-R290 PolarHBondContact OD2-NE 3.29Å; D288-R290 VanDerWaalsContact OD2-NE 3.13Å; D288-R290 IonicContact OD2-NH2 3.27Å; D288-R290 PolarHBondContact OD2-NH2 3.5Å; D288-H291 CarbonylContact O-C 3.59Å; D288-H291 PolarHBondContact O-N 2.98Å; D288-L292 WeakPolarHBondContact O-CD2 3.45Å; D288-L292 PolarHBondContact O-N 3Å; D288-L296 HydrophobicContact CB-CD1 3.93Å; D288-L296 HydrophobicContact CB-CD2 4.2Å; D288-L296 HydrophobicContact CB-CG 4.15Å
289V97Very high97.5Very high11 Ų1147.1 Ų47.17%0.06722%0.22CC..THydrogen-bonded Turntrans-66-16.8-178.1-56.20000113.9L241 Q253 F267 N273 L275 L292L241-V289 HydrophobicContact CD2-CB 4.26Å; Q253-V289 PolarHBondContact NE2-O 3.3Å; F267-V289 HydrophobicContact CE1-CG1 3.79Å; N273-V289 PolarHBondContact O-N 3.38Å; L275-V289 HydrophobicContact CB-CG1 4.49Å; L275-V289 HydrophobicContact CD2-CG1 3.4Å; L275-V289 HydrophobicContact CG-CG1 3.85Å; V289-L292 HydrophobicContact CG1-CD2 4.48Å
290R96.3Very high97.4Very high166 Ų16653.5 Ų53.563%0.62625%0.25SS*.THydrogen-bonded Turntrans-73-22.7171.9-54.9171.8-68.4-168.74.3111.5N273 D288N273-R290 HydrophobicContact CB-CG 4.5Å; N273-R290 WeakPolarHBondContact OD1-CD 3.37Å; N273-R290 WeakPolarHBondContact OD1-CG 3.34Å; D288-R290 PolarHBondContact O-N 3.46Å; D288-R290 VanDerWaalsContact O-N 3.14Å; D288-R290 WeakPolarHBondContact OD1-CB 3.5Å; D288-R290 VanDerWaalsContact OD1-CG 3.32Å; D288-R290 WeakPolarHBondContact OD1-CG 3.49Å; D288-R290 IonicContact OD1-CZ 3.81Å; D288-R290 PolarHBondContact OD1-N 2.83Å; D288-R290 IonicContact OD1-NE 2.86Å; D288-R290 PolarHBondContact OD1-NE 3.32Å; D288-R290 IonicContact OD1-NH2 3.69Å; D288-R290 IonicContact OD2-CZ 2.87Å; D288-R290 VanDerWaalsContact OD2-CZ 3.31Å; D288-R290 IonicContact OD2-NE 2.91Å; D288-R290 PolarHBondContact OD2-NE 3.29Å; D288-R290 VanDerWaalsContact OD2-NE 3.13Å; D288-R290 IonicContact OD2-NH2 3.27Å; D288-R290 PolarHBondContact OD2-NH2 3.5Å
291H93.7Very high97.3Very high93 Ų9354.5 Ų54.543%0.43126%0.256SS..  trans-148.674-178.4-161.474.6000113.1D288 R293D288-H291 CarbonylContact O-C 3.59Å; D288-H291 PolarHBondContact O-N 2.98Å; H291-R293 PolarHBondContact O-N 2.94Å
292L95.1Very high97.3Very high3 Ų353.2 Ų53.22%0.01625%0.249CC..THydrogen-bonded Turntrans-71.55.9-177.7-67.5179.7000115.2L239 L241 Q253 V255 W287 D288 V289 T294L239-L292 HydrophobicContact CD2-CD1 4.22Å; L239-L292 HydrophobicContact CD2-CD2 3.81Å; L239-L292 HydrophobicContact CG-CD1 4.43Å; L241-L292 HydrophobicContact CB-CD1 3.88Å; L241-L292 HydrophobicContact CD2-CD1 4.34Å; Q253-L292 HydrophobicContact CB-CD1 3.97Å; V255-L292 WeakPolarHBondContact CB-O 3.02Å; V255-L292 HydrophobicContact CG1-CB 4.18Å; V255-L292 WeakPolarHBondContact CG1-O 3.25Å; V255-L292 VanDerWaalsContact CG2-O 3.29Å; V255-L292 WeakPolarHBondContact CG2-O 3.09Å; W287-L292 HydrophobicContact CB-CD2 3.82Å; W287-L292 HydrophobicContact CE3-CD2 4.33Å; W287-L292 HydrophobicContact CG-CD2 4.43Å; D288-L292 WeakPolarHBondContact O-CD2 3.45Å; D288-L292 PolarHBondContact O-N 3Å; V289-L292 HydrophobicContact CG1-CD2 4.48Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 2.96Å
293R93.7Very high97.3Very high198 Ų19853.5 Ų53.575%0.74726%0.259SS*.THydrogen-bonded Turntrans-69.5-25.7-175-65.5-171.4179174.6-1.7113.6H291H291-R293 PolarHBondContact O-N 2.94Å
294T96Very high97.2Very high87 Ų8755.4 Ų55.453%0.53427%0.268SS..SBendtrans-137.8142.7-177.851.10000109.2L292L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 2.96Å
295K97.8Very high97.2Very high60 Ų6057.1 Ų57.126%0.26128%0.277SS..  trans-58.8141.1166.6-65.7-177.9179.2-172.10109.1A257 H258 A285 W287 S298A257-K295 WeakPolarHBondContact O-CE 3.16Å; A257-K295 PolarHBondContact O-NZ 3.41Å; H258-K295 PolarHBondContact ND1-NZ 3.43Å; A285-K295 HydrophobicContact CB-CD 3.66Å; A285-K295 HydrophobicContact CB-CG 4.12Å; W287-K295 HydrophobicContact CD2-CG 4.39Å; W287-K295 HydrophobicContact CE3-CG 4.27Å; W287-K295 HydrophobicContact CH2-CB 4.4Å; W287-K295 HydrophobicContact CH2-CD 4.25Å; W287-K295 HydrophobicContact CH2-CG 3.28Å; W287-K295 HydrophobicContact CZ2-CD 4.1Å; W287-K295 HydrophobicContact CZ2-CG 3.42Å; W287-K295 VanDerWaalsContact CZ2-CG 3.42Å; W287-K295 HydrophobicContact CZ3-CB 4.45Å; W287-K295 HydrophobicContact CZ3-CG 3.76Å; K295-S298 VanDerWaalsContact CD-OG 3.22Å; K295-S298 WeakPolarHBondContact CD-OG 3.45Å
296L97.8Very high97.2Very high93 Ų9357.1 Ų57.149%0.48728%0.277SS..SBendtrans-72.8-43165-70.6-178.4000110.1L274 L286 D288L274-L296 HydrophobicContact CD2-CD1 3.59Å; L286-L296 HydrophobicContact CB-CB 4.26Å; L286-L296 HydrophobicContact CD2-CB 4Å; L286-L296 HydrophobicContact CD2-CD1 4.11Å; L286-L296 HydrophobicContact CG-CB 4Å; L286-L296 HydrophobicContact CG-CD1 4.04Å; L286-L296 PolarHBondContact O-N 3.4Å; D288-L296 HydrophobicContact CB-CD1 3.93Å; D288-L296 HydrophobicContact CB-CD2 4.2Å; D288-L296 HydrophobicContact CB-CG 4.15Å
297H98.1Very high97.2Very high46 Ų4659.2 Ų59.221%0.21329%0.286CS..EExtended strand (participates in β ladder)trans-154.1159.1-178.8-165.749.6000111L286 F299 I336 E351L286-H297 HydrophobicContact CB-CB 4.06Å; L286-H297 HydrophobicContact CD2-CB 4.33Å; L286-H297 PolarHBondContact N-O 3.25Å; H297-F299 AromaticContact CD2-CD1 3.84Å; H297-F299 AromaticContact CD2-CE1 3.71Å; H297-I336 HydrophobicContact CB-CD1 4.31Å; H297-E351 IonicContact CD2-OE1 2.9Å; H297-E351 IonicContact CE1-OE1 2.86Å; H297-E351 IonicContact NE2-OE1 3.62Å; H297-E351 PolarHBondContact NE2-OE1 2.73Å
298S98.2Very high97.2Very high30 Ų3059.4 Ų59.421%0.2129%0.287CS..EExtended strand (participates in β ladder)trans-125.1125.5169.2-57.50000108.6A284 K295A284-S298 CarbonylContact O-C 3.57Å; A284-S298 WeakPolarHBondContact O-CA 3.34Å; K295-S298 VanDerWaalsContact CD-OG 3.22Å; K295-S298 WeakPolarHBondContact CD-OG 3.45Å
299F98.5Very high97.2Very high0 Ų058.4 Ų58.40%028%0.282CS..EExtended strand (participates in β ladder)trans-88.1111176.9-56.5-81.8000108.7A284 L286 H297 L319 W331 L333 I336 E351A284-F299 HydrophobicContact CB-CB 4.16Å; A284-F299 HydrophobicContact CB-CD2 3.98Å; A284-F299 PolarHBondContact N-O 2.97Å; A284-F299 PolarHBondContact O-N 3.49Å; L286-F299 HydrophobicContact CB-CE2 3.91Å; L286-F299 HydrophobicContact CB-CZ 4.29Å; H297-F299 AromaticContact CD2-CD1 3.84Å; H297-F299 AromaticContact CD2-CE1 3.71Å; F299-L319 HydrophobicContact CD2-CD2 4.26Å; F299-L319 HydrophobicContact CE2-CD2 3.87Å; F299-L319 HydrophobicContact CZ-CD2 4.36Å; F299-W331 HydrophobicContact CB-CD2 3.95Å; F299-W331 HydrophobicContact CB-CE3 4.03Å; F299-W331 HydrophobicContact CB-CH2 3.83Å; F299-W331 HydrophobicContact CB-CZ2 3.85Å; F299-W331 HydrophobicContact CB-CZ3 3.96Å; F299-W331 HydrophobicContact CD1-CB 3.96Å; F299-W331 AromaticContact CD1-CD2 3.76Å; F299-W331 HydrophobicContact CD1-CD2 3.76Å; F299-W331 AromaticContact CD1-CE3 3.74Å; F299-W331 HydrophobicContact CD1-CE3 3.74Å; F299-W331 AromaticContact CD1-CG 3.86Å; F299-W331 HydrophobicContact CD1-CG 3.86Å; F299-W331 HydrophobicContact CD1-CZ3 4.38Å; F299-W331 HydrophobicContact CE1-CB 3.92Å; F299-W331 HydrophobicContact CE1-CG 4.3Å; F299-W331 HydrophobicContact CG-CD2 4.07Å; F299-W331 HydrophobicContact CG-CE3 4.28Å; F299-W331 HydrophobicContact CG-CG 4.27Å; F299-L333 HydrophobicContact CE1-CD1 4.13Å; F299-L333 HydrophobicContact CZ-CD1 3.65Å; F299-L333 HydrophobicContact CZ-CG 4.22Å; F299-I336 HydrophobicContact CE1-CD1 4.17Å; F299-I336 HydrophobicContact CZ-CD1 4.41Å; F299-E351 HydrophobicContact CD1-CG 3.98Å; F299-E351 HydrophobicContact CE1-CG 4.21Å
300E96.7Very high97.3Very high135 Ų13559.4 Ų59.463%0.63129%0.286SS*.EExtended strand (participates in β ladder)trans-116.5102.3-172.6-62.5-176.2-173.300109.9T283T283-E300 HydrophobicContact CG2-CG 4.07Å
301S96.9Very high97.4Very high35 Ų3551.8 Ų51.825%0.24526%0.258CS..  trans-159.7-35.4172.7-178.30000111.2T303 H329 W331 L352S301-T303 PolarHBondContact O-N 3.3Å; S301-H329 PolarHBondContact OG-CD2 3.25Å; S301-H329 VanDerWaalsContact OG-CD2 3.27Å; S301-H329 PolarHBondContact OG-NE2 3.08Å; S301-W331 VanDerWaalsContact CB-CH2 3.43Å; S301-L352 WeakPolarHBondContact OG-CD2 3.42Å
302H98Very high97.6Very high12 Ų1247.3 Ų47.36%0.05624%0.237CC..  trans-52.6138173.9-82.6-72.6000111.4K282 V306 S321 D325 H329K282-H302 WeakPolarHBondContact O-CB 3.18Å; H302-V306 HydrophobicContact CB-CG2 3.89Å; H302-S321 PolarHBondContact CD2-OG 2.64Å; H302-S321 PolarHBondContact NE2-OG 3.37Å; H302-D325 VanDerWaalsContact CA-OD2 3.29Å; H302-D325 WeakPolarHBondContact CA-OD2 3.41Å; H302-D325 IonicContact CE1-OD1 3.86Å; H302-D325 IonicContact CE1-OD2 3.53Å; H302-D325 IonicContact CG-OD2 3.28Å; H302-D325 VanDerWaalsContact ND1-CG 3.33Å; H302-D325 IonicContact ND1-OD1 2.75Å; H302-D325 PolarHBondContact ND1-OD1 3.03Å; H302-D325 IonicContact ND1-OD2 2.78Å; H302-D325 PolarHBondContact ND1-OD2 2.79Å; H302-H329 AromaticContact CD2-ND1 3.85Å; H302-H329 AromaticContact CE1-CE1 3.62Å; H302-H329 AromaticContact CE1-CG 3.91Å; H302-H329 AromaticContact CE1-ND1 3.05Å; H302-H329 PolarHBondContact CE1-ND1 3.07Å; H302-H329 AromaticContact CG-CE1 3.82Å; H302-H329 AromaticContact CG-ND1 3.86Å; H302-H329 AromaticContact ND1-CE1 3.41Å; H302-H329 PolarHBondContact ND1-CE1 2.79Å; H302-H329 AromaticContact ND1-ND1 3.36Å; H302-H329 PolarHBondContact ND1-ND1 2.98Å; H302-H329 AromaticContact NE2-CG 3.76Å; H302-H329 AromaticContact NE2-ND1 3.37Å; H302-H329 PolarHBondContact NE2-ND1 2.75Å
303T97.4Very high97.7Very high100 Ų10049.7 Ų49.761%0.61325%0.252SS*.SBendtrans-102-4.9-176.1590000113.3K282 S301 D325K282-T303 WeakPolarHBondContact CD-O 3.22Å; K282-T303 WeakPolarHBondContact CE-O 3.49Å; K282-T303 PolarHBondContact NZ-O 3.11Å; S301-T303 PolarHBondContact O-N 3.3Å; T303-D325 PolarHBondContact N-OD2 3.36Å; T303-D325 VanDerWaalsContact N-OD2 3.13Å; T303-D325 WeakPolarHBondContact OG1-CB 3.29Å
304D98Very high97.8Very high58 Ų5843 Ų4331%0.3123%0.23SC..SBendtrans-150.4-176.6179.4-141.6-24.6000110T324 D325D304-T324 HydrophobicContact CB-CG2 4.05Å; D304-T324 VanDerWaalsContact OD2-CG2 3.29Å; D304-T324 WeakPolarHBondContact OD2-CG2 3.47Å; D304-D325 HydrophobicContact CB-CB 3.88Å
305D98.5Very high97.8Very high36 Ų3640 Ų4019%0.19321%0.21CC..  trans-51.5137.8-174.8-59-11.4000114Y263 A280 F307 G323 T324Y263-D305 HydrophobicContact CE2-CB 4.04Å; A280-D305 WeakPolarHBondContact CA-OD1 3.1Å; D305-F307 HydrophobicContact CB-CD1 4.47Å; D305-F307 HydrophobicContact CB-CE1 4.07Å; D305-G323 CarbonylContact O-C 3.42Å; D305-G323 VanDerWaalsContact O-CA 3.28Å; D305-G323 WeakPolarHBondContact O-CA 3.26Å; D305-T324 PolarHBondContact O-N 3.1Å
306V98.7Very high97.8Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-97.4107.4174.7-175.20000109.7G278 S279 H302 V309 C322G278-V306 CarbonylContact C-O 3.59Å; S279-V306 PolarHBondContact N-O 2.82Å; S279-V306 PolarHBondContact O-N 3.08Å; H302-V306 HydrophobicContact CB-CG2 3.89Å; V306-V309 HydrophobicContact CG1-CG1 4.06Å; V306-C322 CarbonylContact C-O 3.54Å
307F98.3Very high97.7Very high55 Ų5539.8 Ų39.824%0.24121%0.211CC..EExtended strand (participates in β ladder)trans-84.1-30.8-177.5-69.9-31.8000114Y263 C264 D305 C322 T324 K362Y263-F307 AromaticContact CD2-CD1 3.74Å; Y263-F307 HydrophobicContact CD2-CD1 3.74Å; Y263-F307 HydrophobicContact CD2-CE1 4.14Å; Y263-F307 HydrophobicContact CE2-CD1 4.07Å; Y263-F307 AromaticContact CE2-CE1 3.97Å; Y263-F307 HydrophobicContact CE2-CE1 3.97Å; Y263-F307 HydrophobicContact CG-CD1 4.22Å; C264-F307 WeakPolarHBondContact CB-O 3.15Å; C264-F307 PolarHBondContact SG-O 2.84Å; D305-F307 HydrophobicContact CB-CD1 4.47Å; D305-F307 HydrophobicContact CB-CE1 4.07Å; F307-C322 PolarHBondContact N-O 3.01Å; F307-T324 WeakPolarHBondContact CE2-OG1 3.49Å; F307-T324 WeakPolarHBondContact CZ-OG1 3.49Å; F307-K362 HydrophobicContact CE2-CD 4.33Å
308Q98.5Very high97.7Very high8 Ų837.8 Ų37.84%0.03720%0.202CC..EExtended strand (participates in β ladder)trans-141.4141.3-175-173.164.2-74.300111.4C264 I310 S321 C322 D365 F366C264-Q308 WeakPolarHBondContact SG-CA 3.25Å; Q308-I310 HydrophobicContact CG-CD1 3.72Å; Q308-I310 HydrophobicContact CG-CG1 3.63Å; Q308-S321 CarbonylContact O-C 3.52Å; Q308-S321 WeakPolarHBondContact O-CA 3.33Å; Q308-C322 PolarHBondContact N-O 2.88Å; Q308-C322 VanDerWaalsContact N-O 3.15Å; Q308-C322 PolarHBondContact O-N 3.02Å; Q308-D365 PolarHBondContact NE2-OD1 2.91Å; Q308-F366 HydrophobicContact CB-CD1 4.14Å; Q308-F366 HydrophobicContact CB-CE1 3.96Å; Q308-F366 HydrophobicContact CG-CD1 3.84Å; Q308-F366 HydrophobicContact CG-CE1 3.6Å
309V98.8Very high97.8Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-130.1131167.2-61.80000108.2C264 D266 A276 A284 V306 L319 G320C264-V309 HydrophobicContact CB-CG2 4.32Å; C264-V309 PolarHBondContact SG-N 3.01Å; D266-V309 HydrophobicContact CB-CG2 4.37Å; D266-V309 WeakPolarHBondContact CB-O 3.35Å; A276-V309 HydrophobicContact CB-CB 4.5Å; A276-V309 HydrophobicContact CB-CG2 4.14Å; A284-V309 HydrophobicContact CB-CG1 4Å; V306-V309 HydrophobicContact CG1-CG1 4.06Å; V309-L319 HydrophobicContact CB-CD1 4.31Å; V309-G320 CarbonylContact C-O 3.54Å; V309-G320 VanDerWaalsContact CA-O 3.29Å; V309-G320 WeakPolarHBondContact CA-O 3.29Å
310I98.7Very high97.8Very high32 Ų3236.3 Ų36.316%0.16419%0.192CC..EExtended strand (participates in β ladder)trans-141.8124.9179.7-48.6176.1000108.9D266 Q308 G320 F366 W368D266-I310 WeakPolarHBondContact OD2-CA 3.33Å; Q308-I310 HydrophobicContact CG-CD1 3.72Å; Q308-I310 HydrophobicContact CG-CG1 3.63Å; I310-G320 PolarHBondContact N-O 3.28Å; I310-G320 PolarHBondContact O-N 3.3Å; I310-F366 HydrophobicContact CB-CE1 4.39Å; I310-F366 HydrophobicContact CB-CE2 4.04Å; I310-F366 HydrophobicContact CB-CZ 3.69Å; I310-F366 HydrophobicContact CD1-CD1 4.1Å; I310-F366 HydrophobicContact CD1-CD2 4.3Å; I310-F366 HydrophobicContact CD1-CE1 3.92Å; I310-F366 HydrophobicContact CD1-CE2 4.11Å; I310-F366 HydrophobicContact CD1-CG 4.29Å; I310-F366 HydrophobicContact CD1-CZ 3.91Å; I310-F366 WeakPolarHBondContact CD1-O 3.29Å; I310-F366 HydrophobicContact CG1-CE1 3.88Å; I310-F366 HydrophobicContact CG1-CE2 4.25Å; I310-F366 HydrophobicContact CG1-CZ 3.69Å; I310-W368 PolarHBondContact O-NE1 2.85Å
311W98.7Very high97.9Very high6 Ų629.9 Ų29.92%0.02316%0.162CC..EExtended strand (participates in β ladder)trans-67144.8174.5-7395.7000111.8D266 N268 P269 A276 L286 L319 L333 W368D266-W311 PolarHBondContact O-NE1 2.84Å; D266-W311 VanDerWaalsContact O-NE1 3.13Å; D266-W311 PolarHBondContact OD2-N 2.81Å; N268-W311 HydrophobicContact CB-CD2 3.91Å; N268-W311 HydrophobicContact CB-CE3 4.36Å; N268-W311 HydrophobicContact CB-CG 4.24Å; N268-W311 HydrophobicContact CB-CZ2 4.15Å; N268-W311 WeakPolarHBondContact ND2-CZ3 3.23Å; P269-W311 VanDerWaalsContact CD-CB 3.45Å; P269-W311 HydrophobicContact CG-CB 4.26Å; A276-W311 HydrophobicContact CB-CZ2 4.07Å; L286-W311 HydrophobicContact CD1-CH2 3.85Å; L286-W311 HydrophobicContact CD1-CZ2 3.77Å; W311-L319 HydrophobicContact CD2-CD1 3.84Å; W311-L319 HydrophobicContact CE3-CB 4.15Å; W311-L319 HydrophobicContact CE3-CD1 4.29Å; W311-L319 HydrophobicContact CG-CD1 4.02Å; W311-L319 HydrophobicContact CZ2-CD1 4.43Å; W311-L319 HydrophobicContact CZ3-CB 4.14Å; W311-L333 HydrophobicContact CH2-CD1 3.73Å; W311-L333 HydrophobicContact CH2-CD2 3.61Å; W311-L333 HydrophobicContact CH2-CG 4.34Å; W311-L333 HydrophobicContact CZ3-CD1 3.82Å; W311-L333 HydrophobicContact CZ3-CD2 4.09Å; W311-W368 PolarHBondContact O-NE1 3.36Å
312S98Very high98Very high0 Ų028.2 Ų28.20%015%0.15CC..  trans-60.4133.6169.9177.30000109.5P269 F270 H314 D315 V318P269-S312 WeakPolarHBondContact CG-O 3.31Å; F270-S312 WeakPolarHBondContact CE2-O 3.47Å; S312-H314 PolarHBondContact O-N 2.76Å; S312-H314 PolarHBondContact OG-N 2.96Å; S312-H314 VanDerWaalsContact OG-N 3.11Å; S312-D315 PolarHBondContact OG-N 2.98Å; S312-D315 VanDerWaalsContact OG-N 3.14Å; S312-D315 PolarHBondContact OG-OD2 3.23Å; S312-V318 WeakPolarHBondContact CB-O 3.38Å; S312-V318 PolarHBondContact N-O 3.26Å
313P97Very high97.9Very high52 Ų5227.7 Ų27.734%0.33815%0.148SC..SBendtrans-79-3.6171.133.5-34.8000112.5F270 W368F270-P313 VanDerWaalsContact CZ-O 3.31Å; F270-P313 WeakPolarHBondContact CZ-O 3.42Å; P313-W368 HydrophobicContact CG-CB 3.78Å; P313-W368 HydrophobicContact CG-CG 4.44Å
314H96.1Very high97.9Very high58 Ų5823.9 Ų23.927%0.26912%0.124SC..SBendtrans-110.8-30.5-175.4-57.7-67.5000113.1S312 H369 R371 E372 R373S312-H314 PolarHBondContact O-N 2.76Å; S312-H314 PolarHBondContact OG-N 2.96Å; S312-H314 VanDerWaalsContact OG-N 3.11Å; H314-H369 PolarHBondContact NE2-O 3.42Å; H314-R371 PolarHBondContact CE1-O 2.62Å; H314-R371 VanDerWaalsContact CE1-O 3.29Å; H314-E372 PolarHBondContact NE2-O 2.95Å; H314-R373 HydrophobicContact CB-CG 4.02Å
315D96.1Very high97.9Very high24 Ų2421.7 Ų21.713%0.12811%0.113CC..  trans-128.3125.1-170.7-53.9-84.4000110.4S312 T317 V318 R373S312-D315 PolarHBondContact OG-N 2.98Å; S312-D315 VanDerWaalsContact OG-N 3.14Å; S312-D315 PolarHBondContact OG-OD2 3.23Å; D315-T317 VanDerWaalsContact C-N 3.26Å; D315-T317 PolarHBondContact O-N 3.41Å; D315-V318 HydrophobicContact CB-CB 3.84Å; D315-V318 HydrophobicContact CB-CG2 3.53Å; D315-V318 PolarHBondContact O-N 2.95Å; D315-R373 IonicContact OD1-CZ 3.13Å; D315-R373 IonicContact OD1-NE 2.95Å; D315-R373 PolarHBondContact OD1-NE 2.86Å; D315-R373 IonicContact OD1-NH2 3.7Å; D315-R373 PolarHBondContact OD1-NH2 2.95Å; D315-R373 IonicContact OD2-NE 3.84Å; D315-R373 PolarHBondContact OD2-NE 2.89Å
316E96.6Very high97.9Very high99 Ų9922.6 Ų22.646%0.46311%0.114SC..THydrogen-bonded Turntrans-62.9-32.1-175.7173.2170.3-17200113.3N268 F270N268-E316 PolarHBondContact ND2-O 2.83Å; F270-E316 HydrophobicContact CB-CB 3.88Å; F270-E316 HydrophobicContact CB-CG 3.79Å; F270-E316 VanDerWaalsContact CD2-CA 3.46Å; F270-E316 HydrophobicContact CD2-CB 3.96Å; F270-E316 HydrophobicContact CG-CB 3.96Å; F270-E316 HydrophobicContact CG-CG 4.42Å
317T97Very high97.8Very high49 Ų4924.5 Ų24.530%0.30112%0.121SC..THydrogen-bonded Turntrans-98.2-4.1-173.259.30000113.3D315 D332 L333 A334D315-T317 VanDerWaalsContact C-N 3.26Å; D315-T317 PolarHBondContact O-N 3.41Å; T317-D332 WeakPolarHBondContact CB-OD1 3.33Å; T317-D332 PolarHBondContact OG1-OD1 3.1Å; T317-L333 HydrophobicContact CG2-CB 4.46Å; T317-L333 WeakPolarHBondContact O-CB 3.35Å; T317-L333 VanDerWaalsContact O-CD1 3.23Å; T317-L333 WeakPolarHBondContact O-CD1 3.28Å; T317-L333 PolarHBondContact O-N 2.8Å; T317-A334 HydrophobicContact CG2-CB 4.22Å
318V98Very high97.8Very high4 Ų421.9 Ų21.92%0.02411%0.109CC..EExtended strand (participates in β ladder)trans-97.7128.5-173.2-178.80000111.8S312 D315 W331 W368 F374S312-V318 WeakPolarHBondContact CB-O 3.38Å; S312-V318 PolarHBondContact N-O 3.26Å; D315-V318 HydrophobicContact CB-CB 3.84Å; D315-V318 HydrophobicContact CB-CG2 3.53Å; D315-V318 PolarHBondContact O-N 2.95Å; V318-W331 CarbonylContact C-O 3.51Å; V318-W331 VanDerWaalsContact CA-O 3.23Å; V318-W331 WeakPolarHBondContact CA-O 3.4Å; V318-W368 HydrophobicContact CG1-CH2 3.59Å; V318-W368 HydrophobicContact CG1-CZ2 4.19Å; V318-W368 HydrophobicContact CG1-CZ3 4.48Å; V318-F374 HydrophobicContact CG1-CE1 3.98Å; V318-F374 HydrophobicContact CG1-CZ 4.43Å; V318-F374 HydrophobicContact CG2-CZ 4.17Å
319L98.6Very high97.8Very high0 Ų021.7 Ų21.70%011%0.108CC..EExtended strand (participates in β ladder)trans-122.7137176.6178.468.4000109.9A276 F299 V309 W311 F330 W331 L333A276-L319 HydrophobicContact CB-CD1 3.89Å; A276-L319 HydrophobicContact CB-CD2 3.7Å; A276-L319 HydrophobicContact CB-CG 4.48Å; F299-L319 HydrophobicContact CD2-CD2 4.26Å; F299-L319 HydrophobicContact CE2-CD2 3.87Å; F299-L319 HydrophobicContact CZ-CD2 4.36Å; V309-L319 HydrophobicContact CB-CD1 4.31Å; W311-L319 HydrophobicContact CD2-CD1 3.84Å; W311-L319 HydrophobicContact CE3-CB 4.15Å; W311-L319 HydrophobicContact CE3-CD1 4.29Å; W311-L319 HydrophobicContact CG-CD1 4.02Å; W311-L319 HydrophobicContact CZ2-CD1 4.43Å; W311-L319 HydrophobicContact CZ3-CB 4.14Å; L319-F330 CarbonylContact O-C 3.09Å; L319-F330 WeakPolarHBondContact O-CA 3.26Å; L319-W331 HydrophobicContact CB-CB 4.32Å; L319-W331 PolarHBondContact N-O 2.94Å; L319-W331 VanDerWaalsContact O-CD1 3.3Å; L319-W331 PolarHBondContact O-N 2.84Å; L319-L333 HydrophobicContact CB-CD1 4.49Å
320G98.7Very high97.8Very high0 Ų021.7 Ų21.70%011%0.108CC..EExtended strand (participates in β ladder)trans-103.2146.6168.600000110.7V309 I310 H329 F366V309-G320 CarbonylContact C-O 3.54Å; V309-G320 VanDerWaalsContact CA-O 3.29Å; V309-G320 WeakPolarHBondContact CA-O 3.29Å; I310-G320 PolarHBondContact N-O 3.28Å; I310-G320 PolarHBondContact O-N 3.3Å; G320-H329 CarbonylContact C-O 3.42Å; G320-H329 WeakPolarHBondContact CA-O 3.41Å; G320-F366 WeakPolarHBondContact O-CZ 3.19Å
321S98.8Very high97.8Very high0 Ų020.2 Ų20.20%010%0.101CC..EExtended strand (participates in β ladder)trans-142146.7169.662.90000112.5H302 Q308 L328 H329 W331H302-S321 PolarHBondContact CD2-OG 2.64Å; H302-S321 PolarHBondContact NE2-OG 3.37Å; Q308-S321 CarbonylContact O-C 3.52Å; Q308-S321 WeakPolarHBondContact O-CA 3.33Å; S321-L328 CarbonylContact O-C 3.59Å; S321-L328 VanDerWaalsContact O-CA 3.23Å; S321-L328 WeakPolarHBondContact O-CA 3.31Å; S321-H329 PolarHBondContact N-O 2.89Å; S321-H329 PolarHBondContact O-N 2.77Å; S321-W331 PolarHBondContact OG-NE1 3.15Å
322C98.6Very high97.7Very high0 Ų020.9 Ų20.90%011%0.105CC..EExtended strand (participates in β ladder)trans-143.6164.1177.480.90000112.7V306 F307 Q308 R327 L328 I363 F366V306-C322 CarbonylContact C-O 3.54Å; F307-C322 PolarHBondContact N-O 3.01Å; Q308-C322 PolarHBondContact N-O 2.88Å; Q308-C322 VanDerWaalsContact N-O 3.15Å; Q308-C322 PolarHBondContact O-N 3.02Å; C322-R327 WeakPolarHBondContact CA-O 3.41Å; C322-L328 HydrophobicContact CB-CB 4.41Å; C322-L328 HydrophobicContact CB-CD2 3.81Å; C322-L328 HydrophobicContact CB-CG 3.6Å; C322-I363 HydrophobicContact CB-CB 4.08Å; C322-I363 HydrophobicContact CB-CD1 4.47Å; C322-I363 HydrophobicContact CB-CG2 3.93Å; C322-F366 HydrophobicContact CB-CD1 4.04Å; C322-F366 HydrophobicContact CB-CE1 4.31Å; C322-F366 VanDerWaalsContact SG-CD1 3.51Å
323G97Very high97.7Very high0 Ų022.2 Ų22.20%011%0.112CC..EExtended strand (participates in β ladder)trans178.8-142.1171.700000116D305 D325 R326 I363D305-G323 CarbonylContact O-C 3.42Å; D305-G323 VanDerWaalsContact O-CA 3.28Å; D305-G323 WeakPolarHBondContact O-CA 3.26Å; G323-D325 VanDerWaalsContact C-N 3.29Å; G323-D325 PolarHBondContact O-N 3.43Å; G323-R326 PolarHBondContact O-N 3.09Å; G323-I363 PolarHBondContact O-N 2.88Å; G323-I363 VanDerWaalsContact O-N 3.14Å
324T97.9Very high97.6Very high20 Ų2022.8 Ų22.812%0.12312%0.121CC..THydrogen-bonded Turntrans-69.7-25-168.9-67.30000113.2D304 D305 F307 R326 K362D304-T324 HydrophobicContact CB-CG2 4.05Å; D304-T324 VanDerWaalsContact OD2-CG2 3.29Å; D304-T324 WeakPolarHBondContact OD2-CG2 3.47Å; D305-T324 PolarHBondContact O-N 3.1Å; F307-T324 WeakPolarHBondContact CE2-OG1 3.49Å; F307-T324 WeakPolarHBondContact CZ-OG1 3.49Å; T324-R326 PolarHBondContact O-N 2.9Å; T324-R326 VanDerWaalsContact O-N 3.08Å; T324-K362 HydrophobicContact CG2-CD 3.74Å; T324-K362 HydrophobicContact CG2-CG 4.02Å
325D97.3Very high97.5Very high13 Ų1322.1 Ų22.17%0.0712%0.117CC..THydrogen-bonded Turntrans-72.92.9178.167.9-0.1000114.3H302 T303 D304 G323 R327 H329H302-D325 VanDerWaalsContact CA-OD2 3.29Å; H302-D325 WeakPolarHBondContact CA-OD2 3.41Å; H302-D325 IonicContact CE1-OD1 3.86Å; H302-D325 IonicContact CE1-OD2 3.53Å; H302-D325 IonicContact CG-OD2 3.28Å; H302-D325 VanDerWaalsContact ND1-CG 3.33Å; H302-D325 IonicContact ND1-OD1 2.75Å; H302-D325 PolarHBondContact ND1-OD1 3.03Å; H302-D325 IonicContact ND1-OD2 2.78Å; H302-D325 PolarHBondContact ND1-OD2 2.79Å; T303-D325 PolarHBondContact N-OD2 3.36Å; T303-D325 VanDerWaalsContact N-OD2 3.13Å; T303-D325 WeakPolarHBondContact OG1-CB 3.29Å; D304-D325 HydrophobicContact CB-CB 3.88Å; G323-D325 VanDerWaalsContact C-N 3.29Å; G323-D325 PolarHBondContact O-N 3.43Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 PolarHBondContact OD1-N 3.38Å; D325-R327 VanDerWaalsContact OD1-N 3.09Å; D325-H329 IonicContact OD2-CE1 3.49Å
326R97.7Very high97.6Very high55 Ų5523.8 Ų23.821%0.20813%0.125CC..SBendtrans66.622.5177.4-37.6178.5-71.1-117.85.8113.4V13 E16 G323 T324 T360 A361V13-R326 VanDerWaalsContact CG2-CZ 3.43Å; E16-R326 IonicContact OE2-NH2 2.66Å; E16-R326 PolarHBondContact OE2-NH2 3.04Å; G323-R326 PolarHBondContact O-N 3.09Å; T324-R326 PolarHBondContact O-N 2.9Å; T324-R326 VanDerWaalsContact O-N 3.08Å; R326-T360 VanDerWaalsContact CD-C 3.42Å; R326-T360 WeakPolarHBondContact CD-O 3.08Å; R326-A361 VanDerWaalsContact CB-O 3.28Å; R326-A361 WeakPolarHBondContact CB-O 3.26Å; R326-A361 WeakPolarHBondContact CG-O 3.24Å
327R97.8Very high97.4Very high40 Ų4022.3 Ų22.315%0.15114%0.137CC..  trans-118.5145.8-179.4-58.6-55.9179.4-115.32110.8E16 C322 D325 I355 H356E16-R327 IonicContact OE2-CZ 3.05Å; E16-R327 IonicContact OE2-NH2 3.92Å; E16-R327 PolarHBondContact OE2-NH2 3.24Å; C322-R327 WeakPolarHBondContact CA-O 3.41Å; D325-R327 PolarHBondContact O-N 2.87Å; D325-R327 PolarHBondContact OD1-N 3.38Å; D325-R327 VanDerWaalsContact OD1-N 3.09Å; R327-I355 HydrophobicContact CB-CG2 3.96Å; R327-I355 HydrophobicContact CG-CG2 4Å; R327-H356 WeakPolarHBondContact CA-O 3.41Å
328L98.4Very high97.3Very high0 Ų023.9 Ų23.90%014%0.143CC..EExtended strand (participates in β ladder)trans-102.8126.7154.1-65.6106.7000109.2S321 C322 F330 I355 H356 I363 F366 W388S321-L328 CarbonylContact O-C 3.59Å; S321-L328 VanDerWaalsContact O-CA 3.23Å; S321-L328 WeakPolarHBondContact O-CA 3.31Å; C322-L328 HydrophobicContact CB-CB 4.41Å; C322-L328 HydrophobicContact CB-CD2 3.81Å; C322-L328 HydrophobicContact CB-CG 3.6Å; L328-F330 HydrophobicContact CB-CE2 3.72Å; L328-F330 HydrophobicContact CB-CZ 4.2Å; L328-F330 HydrophobicContact CD2-CZ 4.4Å; L328-I355 CarbonylContact O-C 3.5Å; L328-I355 WeakPolarHBondContact O-CA 3.38Å; L328-H356 HydrophobicContact CB-CB 4.08Å; L328-H356 HydrophobicContact CD1-CB 4.33Å; L328-H356 VanDerWaalsContact CD1-CD2 3.49Å; L328-H356 WeakPolarHBondContact CD1-CD2 3.3Å; L328-H356 PolarHBondContact N-O 3.34Å; L328-H356 VanDerWaalsContact N-O 3.08Å; L328-H356 PolarHBondContact O-N 3.31Å; L328-I363 HydrophobicContact CD1-CD1 3.34Å; L328-I363 HydrophobicContact CD1-CG2 4.34Å; L328-I363 HydrophobicContact CG-CD1 3.86Å; L328-F366 HydrophobicContact CD2-CB 3.53Å; L328-F366 HydrophobicContact CD2-CD1 3.69Å; L328-F366 HydrophobicContact CD2-CD2 3.57Å; L328-F366 HydrophobicContact CD2-CE1 4.25Å; L328-F366 HydrophobicContact CD2-CE2 4.16Å; L328-F366 HydrophobicContact CD2-CG 3.31Å; L328-F366 HydrophobicContact CD2-CZ 4.47Å; L328-W388 HydrophobicContact CD1-CZ2 4.2Å
329H98.4Very high97.1Very high4 Ų433.2 Ų33.22%0.01919%0.187CC..EExtended strand (participates in β ladder)trans-100.8140.4171.8-6664.1000109S301 H302 G320 S321 D325 W331 L352 F354S301-H329 PolarHBondContact OG-CD2 3.25Å; S301-H329 VanDerWaalsContact OG-CD2 3.27Å; S301-H329 PolarHBondContact OG-NE2 3.08Å; H302-H329 AromaticContact CD2-ND1 3.85Å; H302-H329 AromaticContact CE1-CE1 3.62Å; H302-H329 AromaticContact CE1-CG 3.91Å; H302-H329 AromaticContact CE1-ND1 3.05Å; H302-H329 PolarHBondContact CE1-ND1 3.07Å; H302-H329 AromaticContact CG-CE1 3.82Å; H302-H329 AromaticContact CG-ND1 3.86Å; H302-H329 AromaticContact ND1-CE1 3.41Å; H302-H329 PolarHBondContact ND1-CE1 2.79Å; H302-H329 AromaticContact ND1-ND1 3.36Å; H302-H329 PolarHBondContact ND1-ND1 2.98Å; H302-H329 AromaticContact NE2-CG 3.76Å; H302-H329 AromaticContact NE2-ND1 3.37Å; H302-H329 PolarHBondContact NE2-ND1 2.75Å; G320-H329 CarbonylContact C-O 3.42Å; G320-H329 WeakPolarHBondContact CA-O 3.41Å; S321-H329 PolarHBondContact N-O 2.89Å; S321-H329 PolarHBondContact O-N 2.77Å; D325-H329 IonicContact OD2-CE1 3.49Å; H329-W331 HydrophobicContact CB-CD2 4.43Å; H329-W331 HydrophobicContact CB-CH2 4.35Å; H329-W331 HydrophobicContact CB-CZ2 3.5Å; H329-W331 AromaticContact CD2-CZ2 3.9Å; H329-W331 AromaticContact CG-CZ2 3.89Å; H329-L352 HydrophobicContact CB-CD1 3.88Å; H329-F354 WeakPolarHBondContact CA-O 3.17Å
330F98.1Very high96.8Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-115.6126.7172.8-66.5-89.7000108L319 L328 L353 F354 W368 I376 W388 M390L319-F330 CarbonylContact O-C 3.09Å; L319-F330 WeakPolarHBondContact O-CA 3.26Å; L328-F330 HydrophobicContact CB-CE2 3.72Å; L328-F330 HydrophobicContact CB-CZ 4.2Å; L328-F330 HydrophobicContact CD2-CZ 4.4Å; F330-L353 HydrophobicContact CB-CB 4.42Å; F330-L353 WeakPolarHBondContact O-CB 3.46Å; F330-L353 PolarHBondContact O-N 2.92Å; F330-F354 HydrophobicContact CB-CB 4.25Å; F330-F354 HydrophobicContact CD2-CB 4.32Å; F330-F354 AromaticContact CD2-CD1 3.94Å; F330-F354 HydrophobicContact CD2-CD1 3.94Å; F330-F354 HydrophobicContact CE2-CD1 4.41Å; F330-F354 PolarHBondContact N-O 2.94Å; F330-F354 PolarHBondContact O-N 3.37Å; F330-W368 AromaticContact CD1-CH2 3.38Å; F330-W368 HydrophobicContact CD1-CH2 3.38Å; F330-W368 AromaticContact CD1-CZ2 3.77Å; F330-W368 HydrophobicContact CD1-CZ2 3.77Å; F330-W368 HydrophobicContact CD1-CZ3 4.26Å; F330-W368 AromaticContact CE1-CH2 3.41Å; F330-W368 HydrophobicContact CE1-CH2 3.41Å; F330-W368 VanDerWaalsContact CE1-CH2 3.41Å; F330-W368 AromaticContact CE1-CZ2 3.61Å; F330-W368 HydrophobicContact CE1-CZ2 3.61Å; F330-W368 HydrophobicContact CE1-CZ3 4.04Å; F330-I376 HydrophobicContact CE1-CD1 3.81Å; F330-I376 HydrophobicContact CE1-CG1 3.98Å; F330-I376 HydrophobicContact CZ-CD1 4.09Å; F330-I376 HydrophobicContact CZ-CG1 3.82Å; F330-W388 HydrophobicContact CD2-CH2 4.36Å; F330-W388 AromaticContact CE2-CH2 3.36Å; F330-W388 HydrophobicContact CE2-CH2 3.36Å; F330-W388 HydrophobicContact CE2-CZ2 4.05Å; F330-W388 HydrophobicContact CE2-CZ3 4.38Å; F330-W388 AromaticContact CZ-CH2 3.45Å; F330-W388 HydrophobicContact CZ-CH2 3.45Å; F330-W388 VanDerWaalsContact CZ-CH2 3.45Å; F330-W388 HydrophobicContact CZ-CZ2 4Å; F330-W388 HydrophobicContact CZ-CZ3 4.45Å; F330-M390 HydrophobicContact CD1-SD 4.42Å; F330-M390 HydrophobicContact CD2-SD 4.2Å; F330-M390 HydrophobicContact CG-SD 4.1Å
331W98.2Very high96.5Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-115.1139-174.8-4594000109.6F299 S301 V318 L319 S321 H329 P349 E351 L352F299-W331 HydrophobicContact CB-CD2 3.95Å; F299-W331 HydrophobicContact CB-CE3 4.03Å; F299-W331 HydrophobicContact CB-CH2 3.83Å; F299-W331 HydrophobicContact CB-CZ2 3.85Å; F299-W331 HydrophobicContact CB-CZ3 3.96Å; F299-W331 HydrophobicContact CD1-CB 3.96Å; F299-W331 AromaticContact CD1-CD2 3.76Å; F299-W331 HydrophobicContact CD1-CD2 3.76Å; F299-W331 AromaticContact CD1-CE3 3.74Å; F299-W331 HydrophobicContact CD1-CE3 3.74Å; F299-W331 AromaticContact CD1-CG 3.86Å; F299-W331 HydrophobicContact CD1-CG 3.86Å; F299-W331 HydrophobicContact CD1-CZ3 4.38Å; F299-W331 HydrophobicContact CE1-CB 3.92Å; F299-W331 HydrophobicContact CE1-CG 4.3Å; F299-W331 HydrophobicContact CG-CD2 4.07Å; F299-W331 HydrophobicContact CG-CE3 4.28Å; F299-W331 HydrophobicContact CG-CG 4.27Å; S301-W331 VanDerWaalsContact CB-CH2 3.43Å; V318-W331 CarbonylContact C-O 3.51Å; V318-W331 VanDerWaalsContact CA-O 3.23Å; V318-W331 WeakPolarHBondContact CA-O 3.4Å; L319-W331 HydrophobicContact CB-CB 4.32Å; L319-W331 PolarHBondContact N-O 2.94Å; L319-W331 VanDerWaalsContact O-CD1 3.3Å; L319-W331 PolarHBondContact O-N 2.84Å; S321-W331 PolarHBondContact OG-NE1 3.15Å; H329-W331 HydrophobicContact CB-CD2 4.43Å; H329-W331 HydrophobicContact CB-CH2 4.35Å; H329-W331 HydrophobicContact CB-CZ2 3.5Å; H329-W331 AromaticContact CD2-CZ2 3.9Å; H329-W331 AromaticContact CG-CZ2 3.89Å; W331-P349 HydrophobicContact CZ3-CG 4.21Å; W331-E351 CarbonylContact C-O 3.57Å; W331-E351 WeakPolarHBondContact CA-O 3.24Å; W331-E351 HydrophobicContact CE3-CG 4.1Å; W331-L352 HydrophobicContact CD2-CD1 4.31Å; W331-L352 HydrophobicContact CE3-CB 4.04Å; W331-L352 HydrophobicContact CE3-CD1 3.86Å; W331-L352 HydrophobicContact CH2-CD1 4.14Å; W331-L352 HydrophobicContact CZ2-CD1 4.47Å; W331-L352 HydrophobicContact CZ3-CB 3.89Å; W331-L352 HydrophobicContact CZ3-CD1 3.78Å; W331-L352 HydrophobicContact CZ3-CG 4.29Å
332D97Very high96.1Very high21 Ų2146.6 Ų46.611%0.11226%0.258CS..EExtended strand (participates in β ladder)trans-115.2110.5169.4-174.52.9000109.9T317 A334 K335 E351T317-D332 WeakPolarHBondContact CB-OD1 3.33Å; T317-D332 PolarHBondContact OG1-OD1 3.1Å; D332-A334 PolarHBondContact O-N 3.49Å; D332-A334 VanDerWaalsContact OD1-CB 3.31Å; D332-A334 WeakPolarHBondContact OD1-CB 3.44Å; D332-A334 PolarHBondContact OD1-N 2.91Å; D332-K335 HydrophobicContact CB-CD 4.49Å; D332-K335 HydrophobicContact CB-CG 4.36Å; D332-K335 PolarHBondContact O-N 2.6Å; D332-K335 VanDerWaalsContact O-N 3.12Å; D332-E351 PolarHBondContact N-O 3.44Å; D332-E351 VanDerWaalsContact O-CB 3.3Å; D332-E351 WeakPolarHBondContact O-CB 3.45Å
333L97.5Very high95.8Very high27 Ų2752.7 Ų52.714%0.14129%0.291CS..G310 helixtrans-59-26.6177.4-87.668.8000112.9L274 L286 F299 W311 T317 L319 K335 I336L274-L333 HydrophobicContact CD1-CD2 4.36Å; L286-L333 HydrophobicContact CD1-CD2 3.94Å; L286-L333 HydrophobicContact CD2-CD2 3.58Å; L286-L333 HydrophobicContact CD2-CG 4.15Å; L286-L333 HydrophobicContact CG-CD2 4.41Å; F299-L333 HydrophobicContact CE1-CD1 4.13Å; F299-L333 HydrophobicContact CZ-CD1 3.65Å; F299-L333 HydrophobicContact CZ-CG 4.22Å; W311-L333 HydrophobicContact CH2-CD1 3.73Å; W311-L333 HydrophobicContact CH2-CD2 3.61Å; W311-L333 HydrophobicContact CH2-CG 4.34Å; W311-L333 HydrophobicContact CZ3-CD1 3.82Å; W311-L333 HydrophobicContact CZ3-CD2 4.09Å; T317-L333 HydrophobicContact CG2-CB 4.46Å; T317-L333 WeakPolarHBondContact O-CB 3.35Å; T317-L333 VanDerWaalsContact O-CD1 3.23Å; T317-L333 WeakPolarHBondContact O-CD1 3.28Å; T317-L333 PolarHBondContact O-N 2.8Å; L319-L333 HydrophobicContact CB-CD1 4.49Å; L333-K335 PolarHBondContact O-N 2.75Å; L333-I336 HydrophobicContact CB-CD1 4.13Å; L333-I336 HydrophobicContact CG-CD1 3.92Å; L333-I336 WeakPolarHBondContact O-CG1 3.3Å; L333-I336 PolarHBondContact O-N 2.95Å
334A95.9Very high95.4Very high64 Ų6456.8 Ų56.853%0.52931%0.313SS..G310 helixtrans-64.8-25.8179.700000112.3T317 D332T317-A334 HydrophobicContact CG2-CB 4.22Å; D332-A334 PolarHBondContact O-N 3.49Å; D332-A334 VanDerWaalsContact OD1-CB 3.31Å; D332-A334 WeakPolarHBondContact OD1-CB 3.44Å; D332-A334 PolarHBondContact OD1-N 2.91Å
335K95Very high95.1Very high45 Ų4558.6 Ų58.620%0.19633%0.33CS..G310 helixtrans-94.52.9-177-58.4-173.6-175.9-65.50113.7D332 L333 G337 D338 P350 D397D332-K335 HydrophobicContact CB-CD 4.49Å; D332-K335 HydrophobicContact CB-CG 4.36Å; D332-K335 PolarHBondContact O-N 2.6Å; D332-K335 VanDerWaalsContact O-N 3.12Å; L333-K335 PolarHBondContact O-N 2.75Å; K335-G337 PolarHBondContact O-N 2.8Å; K335-G337 VanDerWaalsContact O-N 3.1Å; K335-D338 VanDerWaalsContact CA-OD2 3.31Å; K335-D338 WeakPolarHBondContact CA-OD2 3.44Å; K335-D338 WeakPolarHBondContact O-CB 3.2Å; K335-D338 PolarHBondContact O-N 2.83Å; K335-D338 VanDerWaalsContact O-N 3.1Å; K335-P350 WeakPolarHBondContact CB-O 3.44Å; K335-P350 WeakPolarHBondContact O-CB 3.22Å; K335-P350 WeakPolarHBondContact O-CG 3.34Å; K335-D397 IonicContact NZ-OD1 3.4Å; K335-D397 PolarHBondContact NZ-OD1 3.31Å; K335-D397 IonicContact NZ-OD2 2.88Å
336I96.3Very high94.8Very high58 Ų5863.6 Ų63.630%0.29736%0.361SS..THydrogen-bonded Turntrans-61.9117.9177.9-67.6170.3000109.6H297 F299 L333 E351H297-I336 HydrophobicContact CB-CD1 4.31Å; F299-I336 HydrophobicContact CE1-CD1 4.17Å; F299-I336 HydrophobicContact CZ-CD1 4.41Å; L333-I336 HydrophobicContact CB-CD1 4.13Å; L333-I336 HydrophobicContact CG-CD1 3.92Å; L333-I336 WeakPolarHBondContact O-CG1 3.3Å; L333-I336 PolarHBondContact O-N 2.95Å; I336-E351 HydrophobicContact CG1-CB 3.71Å; I336-E351 HydrophobicContact CG1-CG 4.13Å
337G93.9Very high94.4Very high68 Ų6867.2 Ų67.270%0.70138%0.384SS*.THydrogen-bonded Turntrans848.4178.300000114.9K335K335-G337 PolarHBondContact O-N 2.8Å; K335-G337 VanDerWaalsContact O-N 3.1Å
338D94.5Very high94.2Very high82 Ų8266.1 Ų66.144%0.43939%0.386SS..  trans-63.4149.5171.3-75.5-6.8000111.4K335 P350K335-D338 VanDerWaalsContact CA-OD2 3.31Å; K335-D338 WeakPolarHBondContact CA-OD2 3.44Å; K335-D338 WeakPolarHBondContact O-CB 3.2Å; K335-D338 PolarHBondContact O-N 2.83Å; K335-D338 VanDerWaalsContact O-N 3.1Å; D338-P350 HydrophobicContact CB-CB 3.94Å; D338-P350 HydrophobicContact CB-CG 4.46Å
339E93.4Very high94.1Very high201 Ų20167.7 Ų67.794%0.93940%0.396SS*.  trans-77.4133.3175.2-65.5-175.2172.800110.3
340Q92.5Very high93.9Very high78 Ų7868.7 Ų68.736%0.36440%0.402SS..  trans-120.5159.1175.5-70.3-175.9-42.700111.7D344 G348 P350Q340-D344 HydrophobicContact CB-CB 4.3Å; Q340-G348 PolarHBondContact OE1-O 2.8Å; Q340-P350 HydrophobicContact CG-CB 3.85Å
341S92.4Very high93.9Very high54 Ų5469.2 Ų69.238%0.37841%0.405SS..  trans-67.3161.7166.683.30000110.7D343 D344 A345S341-D343 PolarHBondContact O-N 2.81Å; S341-D343 PolarHBondContact OG-N 3.19Å; S341-D344 WeakPolarHBondContact CB-OD2 3.43Å; S341-D344 PolarHBondContact O-N 3.03Å; S341-D344 PolarHBondContact OG-N 3.02Å; S341-D344 VanDerWaalsContact OG-N 3.16Å; S341-D344 PolarHBondContact OG-OD2 2.77Å; S341-A345 WeakPolarHBondContact O-CB 3.43Å; S341-A345 PolarHBondContact O-N 2.9Å
342I90.9Very high93.8Very high148 Ų14870.4 Ų70.476%0.75941%0.411SS*.THydrogen-bonded Turntrans-62.7-34176.8-64169.2000110.7V346I342-V346 WeakPolarHBondContact O-CG2 3.25Å
343D90.9Very high93.6Very high128 Ų12870.7 Ų70.768%0.68441%0.412SS*.THydrogen-bonded Turntrans-71.2-44-178.6-65.5-29.2000110.3S341 A345 V346S341-D343 PolarHBondContact O-N 2.81Å; S341-D343 PolarHBondContact OG-N 3.19Å; D343-A345 PolarHBondContact O-N 3.01Å; D343-V346 WeakPolarHBondContact O-CB 3.5Å; D343-V346 PolarHBondContact O-N 3.28Å
344D90Very high93.5Very high86 Ų8670.2 Ų70.246%0.4641%0.409SS..Hα-helixtrans-67.5-37178.4-53.1-44000112.1Q340 S341 V346 D347 G348Q340-D344 HydrophobicContact CB-CB 4.3Å; S341-D344 WeakPolarHBondContact CB-OD2 3.43Å; S341-D344 PolarHBondContact O-N 3.03Å; S341-D344 PolarHBondContact OG-N 3.02Å; S341-D344 VanDerWaalsContact OG-N 3.16Å; S341-D344 PolarHBondContact OG-OD2 2.77Å; D344-V346 PolarHBondContact O-N 2.93Å; D344-V346 VanDerWaalsContact O-N 3.13Å; D344-D347 PolarHBondContact O-N 3.26Å; D344-G348 PolarHBondContact O-N 3.26Å
345A91.1Very high93.5Very high58 Ų5870 Ų7048%0.47940%0.398SS..Hα-helixtrans-65.6-14.7178.600000113.6S341 D343S341-A345 WeakPolarHBondContact O-CB 3.43Å; S341-A345 PolarHBondContact O-N 2.9Å; D343-A345 PolarHBondContact O-N 3.01Å
346V91.3Very high93.6Very high118 Ų11867.8 Ų67.872%0.71539%0.389SS*.Hα-helixtrans-75.7-30.6171.8173.40000111.2I342 D343 D344I342-V346 WeakPolarHBondContact O-CG2 3.25Å; D343-V346 WeakPolarHBondContact O-CB 3.5Å; D343-V346 PolarHBondContact O-N 3.28Å; D344-V346 PolarHBondContact O-N 2.93Å; D344-V346 VanDerWaalsContact O-N 3.13Å
347D88.8Confident93.6Very high131 Ų13166 Ų6670%0.70138%0.382SS*.Hα-helixtrans-82.9-23.2-177.3-69.4-30.2000112.5D344D344-D347 PolarHBondContact O-N 3.26Å
348G93.4Very high93.6Very high18 Ų1862.8 Ų62.819%0.18635%0.35CS..  trans160.3179173.800000113.2Q340 D344Q340-G348 PolarHBondContact OE1-O 2.8Å; D344-G348 PolarHBondContact O-N 3.26Å
349P96.1Very high93.7Very high33 Ų3359 Ų5921%0.21433%0.329CS..  trans-70.4160.4174.133.3-36.9000111.6W331 E351 L352W331-P349 HydrophobicContact CZ3-CG 4.21Å; P349-E351 VanDerWaalsContact C-N 3.29Å; P349-E351 HydrophobicContact CG-CG 4.43Å; P349-E351 PolarHBondContact O-N 2.95Å; P349-L352 HydrophobicContact CG-CB 3.97Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.24Å; P349-L352 PolarHBondContact O-N 3.24Å
350P95.6Very high93.8Very high24 Ų2451.7 Ų51.716%0.15630%0.298CS..THydrogen-bonded Turntrans-61.7-31.8-176.624.1-34.1000115.3K335 D338 Q340 L352K335-P350 WeakPolarHBondContact CB-O 3.44Å; K335-P350 WeakPolarHBondContact O-CB 3.22Å; K335-P350 WeakPolarHBondContact O-CG 3.34Å; D338-P350 HydrophobicContact CB-CB 3.94Å; D338-P350 HydrophobicContact CB-CG 4.46Å; Q340-P350 HydrophobicContact CG-CB 3.85Å; P350-L352 PolarHBondContact O-N 3.43Å
351E96.3Very high94Very high12 Ų1249 Ų496%0.05629%0.289CS..THydrogen-bonded Turntrans-71.1-12.7174.265.8-89.9-154.100113.4H297 F299 W331 D332 I336 P349 L353H297-E351 IonicContact CD2-OE1 2.9Å; H297-E351 IonicContact CE1-OE1 2.86Å; H297-E351 IonicContact NE2-OE1 3.62Å; H297-E351 PolarHBondContact NE2-OE1 2.73Å; F299-E351 HydrophobicContact CD1-CG 3.98Å; F299-E351 HydrophobicContact CE1-CG 4.21Å; W331-E351 CarbonylContact C-O 3.57Å; W331-E351 WeakPolarHBondContact CA-O 3.24Å; W331-E351 HydrophobicContact CE3-CG 4.1Å; D332-E351 PolarHBondContact N-O 3.44Å; D332-E351 VanDerWaalsContact O-CB 3.3Å; D332-E351 WeakPolarHBondContact O-CB 3.45Å; I336-E351 HydrophobicContact CG1-CB 3.71Å; I336-E351 HydrophobicContact CG1-CG 4.13Å; P349-E351 VanDerWaalsContact C-N 3.29Å; P349-E351 HydrophobicContact CG-CG 4.43Å; P349-E351 PolarHBondContact O-N 2.95Å; E351-L353 PolarHBondContact O-N 2.98Å; E351-L353 VanDerWaalsContact O-N 3.13Å
352L96.5Very high94.3Very high24 Ų2450 Ų5013%0.12629%0.287CS..EExtended strand (participates in β ladder)trans-80.794.3177.1-178.657.2000110.5S301 H329 W331 P349 P350 I355S301-L352 WeakPolarHBondContact OG-CD2 3.42Å; H329-L352 HydrophobicContact CB-CD1 3.88Å; W331-L352 HydrophobicContact CD2-CD1 4.31Å; W331-L352 HydrophobicContact CE3-CB 4.04Å; W331-L352 HydrophobicContact CE3-CD1 3.86Å; W331-L352 HydrophobicContact CH2-CD1 4.14Å; W331-L352 HydrophobicContact CZ2-CD1 4.47Å; W331-L352 HydrophobicContact CZ3-CB 3.89Å; W331-L352 HydrophobicContact CZ3-CD1 3.78Å; W331-L352 HydrophobicContact CZ3-CG 4.29Å; P349-L352 HydrophobicContact CG-CB 3.97Å; P349-L352 VanDerWaalsContact O-CB 3.31Å; P349-L352 WeakPolarHBondContact O-CB 3.24Å; P349-L352 PolarHBondContact O-N 3.24Å; P350-L352 PolarHBondContact O-N 3.43Å; L352-I355 HydrophobicContact CD1-CG1 4.06Å; L352-I355 HydrophobicContact CD2-CD1 3.78Å; L352-I355 HydrophobicContact CD2-CG1 4Å; L352-I355 HydrophobicContact CG-CG1 4.29Å
353L93.8Very high94.6Very high27 Ų2742.9 Ų42.914%0.14125%0.251CS..EExtended strand (participates in β ladder)trans-70.9-42.6-176.9-175.367000112.7F330 E351 F374 M390 I394F330-L353 HydrophobicContact CB-CB 4.42Å; F330-L353 WeakPolarHBondContact O-CB 3.46Å; F330-L353 PolarHBondContact O-N 2.92Å; E351-L353 PolarHBondContact O-N 2.98Å; E351-L353 VanDerWaalsContact O-N 3.13Å; L353-F374 HydrophobicContact CD2-CE1 3.95Å; L353-F374 HydrophobicContact CD2-CZ 4.06Å; L353-M390 HydrophobicContact CD2-CE 4.4Å; L353-M390 HydrophobicContact CG-CE 4.47Å; L353-I394 WeakPolarHBondContact CD1-O 3.48Å; L353-I394 HydrophobicContact CG-CG2 4.42Å
354F95.4Very high95Very high18 Ų1837.8 Ų37.88%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-160.7148.7-175-175.3-109.7000113M27 Y28 H329 F330 H356 W388 M390 I394M27-F354 HydrophobicContact CB-CE2 4.14Å; M27-F354 HydrophobicContact CB-CZ 4.18Å; M27-F354 HydrophobicContact CG-CE2 4.34Å; M27-F354 HydrophobicContact SD-CE2 4.37Å; Y28-F354 HydrophobicContact CD1-CZ 4.49Å; Y28-F354 AromaticContact CE1-CE1 3.79Å; Y28-F354 HydrophobicContact CE1-CE1 3.79Å; Y28-F354 AromaticContact CE1-CZ 3.64Å; Y28-F354 HydrophobicContact CE1-CZ 3.64Å; Y28-F354 AromaticContact CZ-CZ 3.74Å; H329-F354 WeakPolarHBondContact CA-O 3.17Å; F330-F354 HydrophobicContact CB-CB 4.25Å; F330-F354 HydrophobicContact CD2-CB 4.32Å; F330-F354 AromaticContact CD2-CD1 3.94Å; F330-F354 HydrophobicContact CD2-CD1 3.94Å; F330-F354 HydrophobicContact CE2-CD1 4.41Å; F330-F354 PolarHBondContact N-O 2.94Å; F330-F354 PolarHBondContact O-N 3.37Å; F354-H356 HydrophobicContact CD1-CB 4.46Å; F354-H356 HydrophobicContact CE1-CB 3.92Å; F354-W388 HydrophobicContact CE1-CH2 4.31Å; F354-W388 HydrophobicContact CE1-CZ3 4.05Å; F354-M390 HydrophobicContact CB-CE 3.24Å; F354-M390 HydrophobicContact CB-SD 4.06Å; F354-M390 HydrophobicContact CD1-CE 3.82Å; F354-M390 HydrophobicContact CD1-CG 3.98Å; F354-M390 HydrophobicContact CD1-SD 3.74Å; F354-M390 HydrophobicContact CD2-CE 4.12Å; F354-M390 HydrophobicContact CE1-CG 4.12Å; F354-M390 HydrophobicContact CE1-SD 4.46Å; F354-M390 HydrophobicContact CG-CE 3.48Å; F354-M390 VanDerWaalsContact CG-CE 3.48Å; F354-M390 HydrophobicContact CG-SD 4.06Å; F354-I394 HydrophobicContact CB-CG2 4.23Å; F354-I394 HydrophobicContact CD2-CD1 3.75Å; F354-I394 HydrophobicContact CD2-CG2 4.17Å; F354-I394 HydrophobicContact CE2-CD1 3.71Å
355I96.2Very high95.4Very high58 Ų5833.9 Ų33.930%0.29720%0.204SC..EExtended strand (participates in β ladder)trans-120.3114.7170-59.9165.4000109.9R327 L328 L352 A357R327-I355 HydrophobicContact CB-CG2 3.96Å; R327-I355 HydrophobicContact CG-CG2 4Å; L328-I355 CarbonylContact O-C 3.5Å; L328-I355 WeakPolarHBondContact O-CA 3.38Å; L352-I355 HydrophobicContact CD1-CG1 4.06Å; L352-I355 HydrophobicContact CD2-CD1 3.78Å; L352-I355 HydrophobicContact CD2-CG1 4Å; L352-I355 HydrophobicContact CG-CG1 4.29Å; I355-A357 PolarHBondContact O-N 2.92Å
356H97.1Very high95.7Very high0 Ų031.1 Ų31.10%018%0.181CC..EExtended strand (participates in β ladder)trans-81.2114.7166.517479.4000110.1Y28 F31 R327 L328 F354 G358 H359 Q386 W388Y28-H356 AromaticContact CE1-ND1 3.75Å; Y28-H356 AromaticContact CZ-ND1 3.53Å; Y28-H356 PolarHBondContact OH-ND1 3.11Å; F31-H356 AromaticContact CE2-CE1 3.99Å; R327-H356 WeakPolarHBondContact CA-O 3.41Å; L328-H356 HydrophobicContact CB-CB 4.08Å; L328-H356 HydrophobicContact CD1-CB 4.33Å; L328-H356 VanDerWaalsContact CD1-CD2 3.49Å; L328-H356 WeakPolarHBondContact CD1-CD2 3.3Å; L328-H356 PolarHBondContact N-O 3.34Å; L328-H356 VanDerWaalsContact N-O 3.08Å; L328-H356 PolarHBondContact O-N 3.31Å; F354-H356 HydrophobicContact CD1-CB 4.46Å; F354-H356 HydrophobicContact CE1-CB 3.92Å; H356-G358 WeakPolarHBondContact NE2-CA 3.27Å; H356-G358 PolarHBondContact NE2-N 3.08Å; H356-H359 AromaticContact NE2-CD2 3.63Å; H356-Q386 PolarHBondContact CE1-OE1 3.36Å; H356-Q386 PolarHBondContact NE2-OE1 2.79Å; H356-W388 HydrophobicContact CB-CH2 3.72Å; H356-W388 HydrophobicContact CB-CZ2 3.6Å; H356-W388 HydrophobicContact CB-CZ3 4.49Å; H356-W388 AromaticContact CE1-CD1 3.83Å; H356-W388 AromaticContact CE1-CE2 3.87Å; H356-W388 AromaticContact CE1-NE1 3.54Å; H356-W388 AromaticContact CG-CE2 3.68Å; H356-W388 AromaticContact CG-CZ2 3.47Å; H356-W388 VanDerWaalsContact CG-CZ2 3.47Å; H356-W388 AromaticContact CG-NE1 3.95Å; H356-W388 AromaticContact ND1-CD2 3.83Å; H356-W388 AromaticContact ND1-CE2 3.46Å; H356-W388 AromaticContact ND1-CZ2 3.72Å; H356-W388 AromaticContact ND1-NE1 3.63Å; H356-W388 AromaticContact NE2-NE1 3.81Å
357A95.2Very high96.1Very high19 Ų1926 Ų2616%0.15715%0.151CC..  trans-112.526.8-179.500000113.7W20 I355W20-A357 HydrophobicContact CG-CB 4.4Å; I355-A357 PolarHBondContact O-N 2.92Å
358G94.1Very high96.5Very high1 Ų120.3 Ų20.31%0.0112%0.12CC..  trans-80.2-9.8-174.800000115.5Y17 H356 Q386Y17-G358 WeakPolarHBondContact CE2-O 3.48Å; H356-G358 WeakPolarHBondContact NE2-CA 3.27Å; H356-G358 PolarHBondContact NE2-N 3.08Å; G358-Q386 PolarHBondContact O-NE2 2.91Å
359H96.6Very high96.7Very high2 Ų219.5 Ų19.51%0.00911%0.111CC..  trans-96.1146179.3-74.2-75.8000112.6H356 I363 S378 A380 Q386H356-H359 AromaticContact NE2-CD2 3.63Å; H359-I363 HydrophobicContact CB-CD1 4.19Å; H359-I363 HydrophobicContact CB-CG1 4.05Å; H359-I363 VanDerWaalsContact CD2-CD1 3.5Å; H359-I363 WeakPolarHBondContact CD2-CD1 3.36Å; H359-S378 PolarHBondContact NE2-OG 2.88Å; H359-A380 HydrophobicContact CB-CB 4.4Å; H359-A380 VanDerWaalsContact ND1-CB 3.3Å; H359-A380 WeakPolarHBondContact ND1-CB 3.48Å; H359-Q386 PolarHBondContact ND1-NE2 3.35Å
360T96Very high96.6Very high48 Ų4821 Ų2129%0.29412%0.117SC..SBendtrans-102.5-10.1177.148.10000113.5V13 Y17 R326 D382V13-T360 HydrophobicContact CG1-CG2 3.97Å; Y17-T360 HydrophobicContact CD1-CG2 4Å; Y17-T360 HydrophobicContact CD2-CG2 3.89Å; Y17-T360 HydrophobicContact CE1-CG2 4.43Å; Y17-T360 HydrophobicContact CE2-CG2 4.38Å; Y17-T360 HydrophobicContact CG-CG2 3.68Å; R326-T360 VanDerWaalsContact CD-C 3.42Å; R326-T360 WeakPolarHBondContact CD-O 3.08Å; T360-D382 PolarHBondContact OG1-OD2 2.76Å
361A96.9Very high96.4Very high21 Ų2124.1 Ų24.117%0.17413%0.126CC..SBendtrans-126.1179.1170.400000111.5R326 E381 D382R326-A361 VanDerWaalsContact CB-O 3.28Å; R326-A361 WeakPolarHBondContact CB-O 3.26Å; R326-A361 WeakPolarHBondContact CG-O 3.24Å; A361-E381 HydrophobicContact CB-CB 4.19Å; A361-D382 HydrophobicContact CB-CB 3.63Å; A361-D382 PolarHBondContact N-OD2 3.39Å; A361-D382 VanDerWaalsContact N-OD2 3.16Å
362K97.4Very high96.1Very high75 Ų7527.3 Ų27.333%0.32614%0.141SC..  trans-61.5143.4-179.7-49.6-177.9-165.11690110.2F307 T324 A380 E381F307-K362 HydrophobicContact CE2-CD 4.33Å; T324-K362 HydrophobicContact CG2-CD 3.74Å; T324-K362 HydrophobicContact CG2-CG 4.02Å; K362-A380 WeakPolarHBondContact O-CA 3.3Å; K362-A380 WeakPolarHBondContact O-CB 3.45Å; K362-E381 HydrophobicContact CB-CG 4.22Å; K362-E381 WeakPolarHBondContact CD-OE2 3.28Å; K362-E381 IonicContact NZ-OE1 3.72Å; K362-E381 IonicContact NZ-OE2 3.94Å; K362-E381 PolarHBondContact O-N 2.76Å
363I98.5Very high95.9Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-92.6118.1179.3-53.3-176.4000107.8C322 G323 L328 H359C322-I363 HydrophobicContact CB-CB 4.08Å; C322-I363 HydrophobicContact CB-CD1 4.47Å; C322-I363 HydrophobicContact CB-CG2 3.93Å; G323-I363 PolarHBondContact O-N 2.88Å; G323-I363 VanDerWaalsContact O-N 3.14Å; L328-I363 HydrophobicContact CD1-CD1 3.34Å; L328-I363 HydrophobicContact CD1-CG2 4.34Å; L328-I363 HydrophobicContact CG-CD1 3.86Å; H359-I363 HydrophobicContact CB-CD1 4.19Å; H359-I363 HydrophobicContact CB-CG1 4.05Å; H359-I363 VanDerWaalsContact CD2-CD1 3.5Å; H359-I363 WeakPolarHBondContact CD2-CD1 3.36Å
364S98Very high95.9Very high21 Ų2129.3 Ų29.315%0.14715%0.145CC..EExtended strand (participates in β ladder)trans-82.2-41.7-174.4-44.70000112.3S40 V379S40-S364 WeakPolarHBondContact O-CB 3.29Å; S40-S364 PolarHBondContact O-OG 2.87Å; S364-V379 PolarHBondContact N-O 3.36Å
365D98.5Very high95.9Very high3 Ų328.8 Ų28.82%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-158160179-160.418000109.6L41 T42 V43 R121 Q308 S378 V379L41-D365 WeakPolarHBondContact O-CB 3.37Å; T42-D365 WeakPolarHBondContact CA-OD2 3.39Å; V43-D365 HydrophobicContact CG1-CB 4.19Å; V43-D365 PolarHBondContact N-OD2 3.33Å; R121-D365 IonicContact CZ-OD2 3.86Å; R121-D365 IonicContact NH1-OD2 3.3Å; R121-D365 PolarHBondContact NH1-OD2 2.75Å; R121-D365 IonicContact NH2-OD1 3.96Å; R121-D365 PolarHBondContact NH2-OD1 3.15Å; R121-D365 IonicContact NH2-OD2 3.79Å; R121-D365 PolarHBondContact NH2-OD2 2.98Å; Q308-D365 PolarHBondContact NE2-OD1 2.91Å; D365-S378 WeakPolarHBondContact O-CA 3.44Å; D365-V379 HydrophobicContact CB-CG2 4.11Å; D365-V379 PolarHBondContact O-N 2.91Å
366F98.7Very high96Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-145.3163.4173.277.6-80.7000110.6Q308 I310 G320 C322 L328 W368 I376 C377Q308-F366 HydrophobicContact CB-CD1 4.14Å; Q308-F366 HydrophobicContact CB-CE1 3.96Å; Q308-F366 HydrophobicContact CG-CD1 3.84Å; Q308-F366 HydrophobicContact CG-CE1 3.6Å; I310-F366 HydrophobicContact CB-CE1 4.39Å; I310-F366 HydrophobicContact CB-CE2 4.04Å; I310-F366 HydrophobicContact CB-CZ 3.69Å; I310-F366 HydrophobicContact CD1-CD1 4.1Å; I310-F366 HydrophobicContact CD1-CD2 4.3Å; I310-F366 HydrophobicContact CD1-CE1 3.92Å; I310-F366 HydrophobicContact CD1-CE2 4.11Å; I310-F366 HydrophobicContact CD1-CG 4.29Å; I310-F366 HydrophobicContact CD1-CZ 3.91Å; I310-F366 WeakPolarHBondContact CD1-O 3.29Å; I310-F366 HydrophobicContact CG1-CE1 3.88Å; I310-F366 HydrophobicContact CG1-CE2 4.25Å; I310-F366 HydrophobicContact CG1-CZ 3.69Å; G320-F366 WeakPolarHBondContact O-CZ 3.19Å; C322-F366 HydrophobicContact CB-CD1 4.04Å; C322-F366 HydrophobicContact CB-CE1 4.31Å; C322-F366 VanDerWaalsContact SG-CD1 3.51Å; L328-F366 HydrophobicContact CD2-CB 3.53Å; L328-F366 HydrophobicContact CD2-CD1 3.69Å; L328-F366 HydrophobicContact CD2-CD2 3.57Å; L328-F366 HydrophobicContact CD2-CE1 4.25Å; L328-F366 HydrophobicContact CD2-CE2 4.16Å; L328-F366 HydrophobicContact CD2-CG 3.31Å; L328-F366 HydrophobicContact CD2-CZ 4.47Å; F366-W368 AromaticContact CE2-NE1 3.71Å; F366-I376 HydrophobicContact CB-CG2 4.44Å; F366-I376 HydrophobicContact CD2-CG2 4.12Å; F366-C377 CarbonylContact C-O 3.5Å; F366-C377 WeakPolarHBondContact CA-O 3.33Å; F366-C377 VanDerWaalsContact CB-O 3.27Å; F366-C377 WeakPolarHBondContact CB-O 3.48Å
367A98.6Very high96Very high10 Ų1026 Ų268%0.08313%0.128CC..EExtended strand (participates in β ladder)trans-146.7138.3174.200000112.1W45 I376 C377W45-A367 PolarHBondContact NE1-O 2.99Å; A367-I376 WeakPolarHBondContact O-CA 3.43Å; A367-C377 PolarHBondContact N-O 2.97Å; A367-C377 PolarHBondContact O-N 2.93Å
368W98.3Very high96.2Very high12 Ų1225.1 Ų25.15%0.04512%0.121CC..EExtended strand (participates in β ladder)trans-68133.8167.4-61.591.7000110.6W45 I310 W311 P313 V318 F330 F366 F374 I376W45-W368 VanDerWaalsContact CD1-O 3.26Å; I310-W368 PolarHBondContact O-NE1 2.85Å; W311-W368 PolarHBondContact O-NE1 3.36Å; P313-W368 HydrophobicContact CG-CB 3.78Å; P313-W368 HydrophobicContact CG-CG 4.44Å; V318-W368 HydrophobicContact CG1-CH2 3.59Å; V318-W368 HydrophobicContact CG1-CZ2 4.19Å; V318-W368 HydrophobicContact CG1-CZ3 4.48Å; F330-W368 AromaticContact CD1-CH2 3.38Å; F330-W368 HydrophobicContact CD1-CH2 3.38Å; F330-W368 AromaticContact CD1-CZ2 3.77Å; F330-W368 HydrophobicContact CD1-CZ2 3.77Å; F330-W368 HydrophobicContact CD1-CZ3 4.26Å; F330-W368 AromaticContact CE1-CH2 3.41Å; F330-W368 HydrophobicContact CE1-CH2 3.41Å; F330-W368 VanDerWaalsContact CE1-CH2 3.41Å; F330-W368 AromaticContact CE1-CZ2 3.61Å; F330-W368 HydrophobicContact CE1-CZ2 3.61Å; F330-W368 HydrophobicContact CE1-CZ3 4.04Å; F366-W368 AromaticContact CE2-NE1 3.71Å; W368-F374 HydrophobicContact CH2-CD1 4.45Å; W368-F374 HydrophobicContact CH2-CE1 4.49Å; W368-F374 HydrophobicContact CZ3-CD1 4.02Å; W368-F374 HydrophobicContact CZ3-CE1 4.39Å; W368-I376 HydrophobicContact CB-CD1 4.44Å; W368-I376 HydrophobicContact CD2-CD1 3.45Å; W368-I376 VanDerWaalsContact CD2-CD1 3.45Å; W368-I376 HydrophobicContact CE3-CD1 3.23Å; W368-I376 HydrophobicContact CG-CD1 4.02Å; W368-I376 HydrophobicContact CH2-CD1 4.24Å; W368-I376 HydrophobicContact CZ2-CD1 4.43Å; W368-I376 HydrophobicContact CZ3-CD1 3.66Å
369H96.6Very high96.4Very high1 Ų125 Ų251%0.00512%0.12CC..  trans-67.4140170.8-172.1-96.7000110W45 D54 H314 R371 E372 M375W45-H369 AromaticContact CD2-CD2 3.63Å; W45-H369 AromaticContact CE2-CD2 3.7Å; W45-H369 AromaticContact CE3-CD2 3.82Å; W45-H369 AromaticContact CZ2-CD2 3.94Å; D54-H369 IonicContact OD1-NE2 3.04Å; H314-H369 PolarHBondContact NE2-O 3.42Å; H369-R371 VanDerWaalsContact C-N 3.32Å; H369-R371 PolarHBondContact ND1-N 3.09Å; H369-R371 PolarHBondContact O-N 2.87Å; H369-E372 WeakPolarHBondContact ND1-CB 3.49Å; H369-E372 PolarHBondContact ND1-N 2.81Å; H369-M375 HydrophobicContact CB-CB 3.76Å; H369-M375 HydrophobicContact CB-CG 3.89Å; H369-M375 WeakPolarHBondContact CB-O 3.49Å; H369-M375 HydrophobicContact CB-SD 4.22Å; H369-M375 PolarHBondContact N-O 3.08Å
370L93.5Very high96.5Very high64 Ų6425 Ų2534%0.33512%0.12SC..SBendtrans-79.7-11.3-168.3-62.4172.7000114.3W45 P47W45-L370 HydrophobicContact CB-CD1 4.39Å; W45-L370 HydrophobicContact CB-CG 4.26Å; P47-L370 HydrophobicContact CB-CD1 3.95Å
371R91.7Very high96.5Very high90 Ų9026.7 Ų26.734%0.3413%0.125SC..SBendtrans-122.6-58.3-176.6-69.7175.2-78.9-77.6-0.7112.1P47 D54 H314 H369 R373P47-R371 PolarHBondContact O-NH1 2.87Å; D54-R371 IonicContact OD1-CZ 2.71Å; D54-R371 IonicContact OD1-NE 2.86Å; D54-R371 IonicContact OD1-NH2 3.19Å; D54-R371 PolarHBondContact OD1-NH2 2.86Å; H314-R371 PolarHBondContact CE1-O 2.62Å; H314-R371 VanDerWaalsContact CE1-O 3.29Å; H369-R371 VanDerWaalsContact C-N 3.32Å; H369-R371 PolarHBondContact ND1-N 3.09Å; H369-R371 PolarHBondContact O-N 2.87Å; R371-R373 PolarHBondContact O-N 2.83Å
372E91.1Very high96.4Very high80 Ų8027.8 Ų27.837%0.37413%0.128SC..SBendtrans-71.8123.1176.8-51.5-54.1154.100111.6H314 H369 M375H314-E372 PolarHBondContact NE2-O 2.95Å; H369-E372 WeakPolarHBondContact ND1-CB 3.49Å; H369-E372 PolarHBondContact ND1-N 2.81Å; E372-M375 HydrophobicContact CB-CB 3.78Å; E372-M375 HydrophobicContact CB-CE 3.78Å; E372-M375 HydrophobicContact CB-SD 4.03Å; E372-M375 HydrophobicContact CG-CE 3.75Å; E372-M375 HydrophobicContact CG-SD 4.1Å
373R92.4Very high96.3Very high91 Ų9126.3 Ų26.334%0.34312%0.124SC..THydrogen-bonded Turntrans-66.8140.4176-166.4-173.9176.7-141.21.1110.1H314 D315 R371 M375 Q389 Y395H314-R373 HydrophobicContact CB-CG 4.02Å; D315-R373 IonicContact OD1-CZ 3.13Å; D315-R373 IonicContact OD1-NE 2.95Å; D315-R373 PolarHBondContact OD1-NE 2.86Å; D315-R373 IonicContact OD1-NH2 3.7Å; D315-R373 PolarHBondContact OD1-NH2 2.95Å; D315-R373 IonicContact OD2-NE 3.84Å; D315-R373 PolarHBondContact OD2-NE 2.89Å; R371-R373 PolarHBondContact O-N 2.83Å; R373-M375 PolarHBondContact O-N 2.9Å; R373-Q389 PolarHBondContact O-NE2 3.12Å; R373-Q389 VanDerWaalsContact O-NE2 3.13Å; R373-Y395 VanDerWaalsContact NH1-CE2 3.35Å
374F93.9Very high96.2Very high1 Ų127.1 Ų27.10%0.00413%0.127CC..THydrogen-bonded Turntrans5415.5-177.8-68.7-73.7000116.8V318 L353 W368 Q389 M390 Y395V318-F374 HydrophobicContact CG1-CE1 3.98Å; V318-F374 HydrophobicContact CG1-CZ 4.43Å; V318-F374 HydrophobicContact CG2-CZ 4.17Å; L353-F374 HydrophobicContact CD2-CE1 3.95Å; L353-F374 HydrophobicContact CD2-CZ 4.06Å; W368-F374 HydrophobicContact CH2-CD1 4.45Å; W368-F374 HydrophobicContact CH2-CE1 4.49Å; W368-F374 HydrophobicContact CZ3-CD1 4.02Å; W368-F374 HydrophobicContact CZ3-CE1 4.39Å; F374-Q389 WeakPolarHBondContact O-CA 3.41Å; F374-M390 HydrophobicContact CB-CB 4.13Å; F374-M390 HydrophobicContact CB-CG 4.38Å; F374-M390 HydrophobicContact CB-SD 4.46Å; F374-M390 HydrophobicContact CD1-CE 4.39Å; F374-M390 HydrophobicContact CD1-SD 3.65Å; F374-M390 HydrophobicContact CE1-SD 4.28Å; F374-M390 HydrophobicContact CG-SD 4.36Å; F374-M390 PolarHBondContact O-N 2.61Å; F374-Y395 HydrophobicContact CB-CD1 4.41Å; F374-Y395 HydrophobicContact CB-CE1 3.86Å; F374-Y395 HydrophobicContact CD1-CD1 4.36Å; F374-Y395 AromaticContact CD2-CD1 3.47Å; F374-Y395 HydrophobicContact CD2-CD1 3.47Å; F374-Y395 VanDerWaalsContact CD2-CD1 3.47Å; F374-Y395 AromaticContact CD2-CD2 3.64Å; F374-Y395 HydrophobicContact CD2-CD2 3.64Å; F374-Y395 AromaticContact CD2-CE1 3.36Å; F374-Y395 HydrophobicContact CD2-CE1 3.36Å; F374-Y395 AromaticContact CD2-CE2 3.58Å; F374-Y395 HydrophobicContact CD2-CE2 3.58Å; F374-Y395 AromaticContact CD2-CG 3.58Å; F374-Y395 HydrophobicContact CD2-CG 3.58Å; F374-Y395 AromaticContact CD2-CZ 3.4Å; F374-Y395 AromaticContact CE2-CD1 3.68Å; F374-Y395 HydrophobicContact CE2-CD1 3.68Å; F374-Y395 AromaticContact CE2-CD2 3.37Å; F374-Y395 HydrophobicContact CE2-CD2 3.37Å; F374-Y395 HydrophobicContact CE2-CE1 4.03Å; F374-Y395 AromaticContact CE2-CE2 3.78Å; F374-Y395 HydrophobicContact CE2-CE2 3.78Å; F374-Y395 AromaticContact CE2-CG 3.3Å; F374-Y395 HydrophobicContact CE2-CG 3.3Å; F374-Y395 AromaticContact CG-CD1 3.85Å; F374-Y395 HydrophobicContact CG-CD1 3.85Å; F374-Y395 AromaticContact CG-CE1 3.72Å; F374-Y395 HydrophobicContact CG-CE1 3.72Å; F374-Y395 HydrophobicContact CG-CG 4.34Å; F374-Y395 HydrophobicContact CZ-CD1 4.22Å; F374-Y395 HydrophobicContact CZ-CD2 4.3Å; F374-Y395 AromaticContact CZ-CG 3.87Å; F374-Y395 HydrophobicContact CZ-CG 3.87Å
375M95Very high96.2Very high7 Ų726.1 Ų26.13%0.03412%0.121CC..EExtended strand (participates in β ladder)trans-89.1128.2168.4-177.3179.2-63.900109.8M30 L76 H369 E372 R373 W388 Q389M30-M375 HydrophobicContact CE-CE 3.48Å; M30-M375 VanDerWaalsContact CE-CE 3.48Å; M30-M375 HydrophobicContact CE-CG 3.9Å; M30-M375 HydrophobicContact CE-SD 3.74Å; M30-M375 HydrophobicContact SD-CE 3.87Å; L76-M375 HydrophobicContact CD1-CE 4.2Å; L76-M375 HydrophobicContact CD1-SD 3.56Å; L76-M375 VanDerWaalsContact CD1-SD 3.56Å; L76-M375 HydrophobicContact CD2-SD 4.19Å; H369-M375 HydrophobicContact CB-CB 3.76Å; H369-M375 HydrophobicContact CB-CG 3.89Å; H369-M375 WeakPolarHBondContact CB-O 3.49Å; H369-M375 HydrophobicContact CB-SD 4.22Å; H369-M375 PolarHBondContact N-O 3.08Å; E372-M375 HydrophobicContact CB-CB 3.78Å; E372-M375 HydrophobicContact CB-CE 3.78Å; E372-M375 HydrophobicContact CB-SD 4.03Å; E372-M375 HydrophobicContact CG-CE 3.75Å; E372-M375 HydrophobicContact CG-SD 4.1Å; R373-M375 PolarHBondContact O-N 2.9Å; M375-W388 CarbonylContact C-O 3.6Å; M375-W388 WeakPolarHBondContact CA-O 3.41Å; M375-Q389 HydrophobicContact CB-CB 4.23Å; M375-Q389 HydrophobicContact CB-CG 4.22Å; M375-Q389 HydrophobicContact CE-CB 4.36Å; M375-Q389 HydrophobicContact CG-CB 4.47Å
376I97.7Very high96.1Very high0 Ų026.1 Ų26.10%012%0.12CC..EExtended strand (participates in β ladder)trans-127.9145.5-171.7-55.6-64000109.2F330 F366 A367 W368 V387 W388F330-I376 HydrophobicContact CE1-CD1 3.81Å; F330-I376 HydrophobicContact CE1-CG1 3.98Å; F330-I376 HydrophobicContact CZ-CD1 4.09Å; F330-I376 HydrophobicContact CZ-CG1 3.82Å; F366-I376 HydrophobicContact CB-CG2 4.44Å; F366-I376 HydrophobicContact CD2-CG2 4.12Å; A367-I376 WeakPolarHBondContact O-CA 3.43Å; W368-I376 HydrophobicContact CB-CD1 4.44Å; W368-I376 HydrophobicContact CD2-CD1 3.45Å; W368-I376 VanDerWaalsContact CD2-CD1 3.45Å; W368-I376 HydrophobicContact CE3-CD1 3.23Å; W368-I376 HydrophobicContact CG-CD1 4.02Å; W368-I376 HydrophobicContact CH2-CD1 4.24Å; W368-I376 HydrophobicContact CZ2-CD1 4.43Å; W368-I376 HydrophobicContact CZ3-CD1 3.66Å; I376-V387 CarbonylContact O-C 3.56Å; I376-V387 WeakPolarHBondContact O-CA 3.31Å; I376-W388 HydrophobicContact CB-CD2 4.19Å; I376-W388 HydrophobicContact CB-CE3 4.44Å; I376-W388 HydrophobicContact CB-CH2 4.02Å; I376-W388 HydrophobicContact CB-CZ2 3.73Å; I376-W388 HydrophobicContact CB-CZ3 4.38Å; I376-W388 HydrophobicContact CG1-CH2 3.82Å; I376-W388 HydrophobicContact CG1-CZ2 4.03Å; I376-W388 HydrophobicContact CG1-CZ3 4.12Å; I376-W388 HydrophobicContact CG2-CH2 4.39Å; I376-W388 HydrophobicContact CG2-CZ2 3.75Å; I376-W388 PolarHBondContact N-O 2.81Å; I376-W388 PolarHBondContact O-N 3.36Å
377C98Very high96Very high0 Ų026.1 Ų26.10%012%0.121CC..EExtended strand (participates in β ladder)trans-113.5149.315768.70000110.7V43 W45 M56 F366 A367 L385 Q386 V387V43-C377 HydrophobicContact CG2-CB 4.45Å; V43-C377 WeakPolarHBondContact CG2-SG 3.38Å; W45-C377 HydrophobicContact CZ2-CB 3.77Å; W45-C377 PolarHBondContact NE1-SG 3.09Å; M56-C377 HydrophobicContact CE-CB 4.01Å; F366-C377 CarbonylContact C-O 3.5Å; F366-C377 WeakPolarHBondContact CA-O 3.33Å; F366-C377 VanDerWaalsContact CB-O 3.27Å; F366-C377 WeakPolarHBondContact CB-O 3.48Å; A367-C377 PolarHBondContact N-O 2.97Å; A367-C377 PolarHBondContact O-N 2.93Å; C377-L385 HydrophobicContact CB-CD1 4.43Å; C377-Q386 CarbonylContact C-O 3.59Å; C377-Q386 WeakPolarHBondContact CA-O 3.38Å; C377-V387 HydrophobicContact CB-CG2 3.91Å
378S98.6Very high95.7Very high0 Ų025.7 Ų25.70%012%0.117CC..EExtended strand (participates in β ladder)trans-147.2144179.6510000110.7H359 D365 L385 Q386H359-S378 PolarHBondContact NE2-OG 2.88Å; D365-S378 WeakPolarHBondContact O-CA 3.44Å; S378-L385 WeakPolarHBondContact O-CA 3.45Å; S378-Q386 PolarHBondContact N-O 2.97Å; S378-Q386 PolarHBondContact O-N 2.92Å
379V98.4Very high95.5Very high0 Ų025.9 Ų25.90%012%0.118CC..EExtended strand (participates in β ladder)trans-122.6141178.6-69.10000110.3L36 S40 V43 S364 D365 I384 L385L36-V379 HydrophobicContact CD1-CG1 4.49Å; S40-V379 WeakPolarHBondContact O-CG2 3.29Å; V43-V379 HydrophobicContact CB-CG1 4Å; V43-V379 HydrophobicContact CB-CG2 4.03Å; V43-V379 HydrophobicContact CG1-CG1 4.38Å; V43-V379 HydrophobicContact CG1-CG2 3.97Å; V43-V379 HydrophobicContact CG2-CG1 4.34Å; S364-V379 PolarHBondContact N-O 3.36Å; D365-V379 HydrophobicContact CB-CG2 4.11Å; D365-V379 PolarHBondContact O-N 2.91Å; V379-I384 WeakPolarHBondContact CA-O 3.42Å; V379-L385 HydrophobicContact CG1-CB 4.31Å; V379-L385 HydrophobicContact CG1-CD1 3.6Å
380A98.1Very high95.2Very high0 Ų025.8 Ų25.80%012%0.118CC..EExtended strand (participates in β ladder)trans-126.1165.1-178.200000113H359 K362 D382 N383 I384H359-A380 HydrophobicContact CB-CB 4.4Å; H359-A380 VanDerWaalsContact ND1-CB 3.3Å; H359-A380 WeakPolarHBondContact ND1-CB 3.48Å; K362-A380 WeakPolarHBondContact O-CA 3.3Å; K362-A380 WeakPolarHBondContact O-CB 3.45Å; A380-D382 VanDerWaalsContact CB-OD1 3.3Å; A380-D382 WeakPolarHBondContact CB-OD1 3.27Å; A380-D382 PolarHBondContact O-N 2.89Å; A380-N383 PolarHBondContact O-N 3.44Å; A380-I384 PolarHBondContact N-O 2.9Å; A380-I384 VanDerWaalsContact N-O 3.11Å
381E96.2Very high95Very high85 Ų8523.4 Ų23.440%0.39711%0.106SC..THydrogen-bonded Turntrans-63.4-19.7-179.9-72.8-174.8162.900113.9A361 K362 N383A361-E381 HydrophobicContact CB-CB 4.19Å; K362-E381 HydrophobicContact CB-CG 4.22Å; K362-E381 WeakPolarHBondContact CD-OE2 3.28Å; K362-E381 IonicContact NZ-OE1 3.72Å; K362-E381 IonicContact NZ-OE2 3.94Å; K362-E381 PolarHBondContact O-N 2.76Å; E381-N383 PolarHBondContact O-N 3.35Å; E381-N383 PolarHBondContact O-OD1 2.66Å
382D94.8Very high94.7Very high44 Ų4423.9 Ų23.924%0.23511%0.112CC..THydrogen-bonded Turntrans-87.118.8177.958.36.5000113.6T360 A361 A380 I384T360-D382 PolarHBondContact OG1-OD2 2.76Å; A361-D382 HydrophobicContact CB-CB 3.63Å; A361-D382 PolarHBondContact N-OD2 3.39Å; A361-D382 VanDerWaalsContact N-OD2 3.16Å; A380-D382 VanDerWaalsContact CB-OD1 3.3Å; A380-D382 WeakPolarHBondContact CB-OD1 3.27Å; A380-D382 PolarHBondContact O-N 2.89Å; D382-I384 PolarHBondContact O-N 3.14Å; D382-I384 WeakPolarHBondContact OD1-CB 3.33Å; D382-I384 WeakPolarHBondContact OD1-CG1 3.37Å; D382-I384 PolarHBondContact OD1-N 2.88Å
383N96.2Very high94.3Very high44 Ų4427 Ų2724%0.23513%0.126CC..SBendtrans68.314179.5-49.623.9000114.3L36 E37 W38 P39 A380 E381L36-N383 HydrophobicContact CB-CB 4.43Å; L36-N383 WeakPolarHBondContact CB-O 3.29Å; L36-N383 PolarHBondContact N-O 2.72Å; L36-N383 WeakPolarHBondContact O-CB 3.36Å; E37-N383 PolarHBondContact O-ND2 3.06Å; W38-N383 WeakPolarHBondContact CA-ND2 3.46Å; P39-N383 VanDerWaalsContact CD-OD1 3.29Å; P39-N383 WeakPolarHBondContact CD-OD1 3.41Å; A380-N383 PolarHBondContact O-N 3.44Å; E381-N383 PolarHBondContact O-N 3.35Å; E381-N383 PolarHBondContact O-OD1 2.66Å
384I97.1Very high93.8Very high16 Ų1625 Ų258%0.08212%0.122CC..EExtended strand (participates in β ladder)trans-90.9123.1-179.7-56.9-58000110.7F95 V379 A380 D382 Q386F95-I384 HydrophobicContact CE1-CD1 4.04Å; V379-I384 WeakPolarHBondContact CA-O 3.42Å; A380-I384 PolarHBondContact N-O 2.9Å; A380-I384 VanDerWaalsContact N-O 3.11Å; D382-I384 PolarHBondContact O-N 3.14Å; D382-I384 WeakPolarHBondContact OD1-CB 3.33Å; D382-I384 WeakPolarHBondContact OD1-CG1 3.37Å; D382-I384 PolarHBondContact OD1-N 2.88Å; I384-Q386 HydrophobicContact CG2-CG 3.67Å
385L97.3Very high93Very high1 Ų126.2 Ų26.21%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-98.5126.9163.5169.167.1000108.4H34 L36 V43 M56 L72 V105 C377 S378 V379H34-L385 HydrophobicContact CB-CB 4.43Å; H34-L385 PolarHBondContact N-O 2.78Å; H34-L385 PolarHBondContact O-N 3.16Å; L36-L385 HydrophobicContact CD1-CB 4.14Å; L36-L385 HydrophobicContact CD2-CB 4.37Å; L36-L385 HydrophobicContact CD2-CD2 4.45Å; L36-L385 HydrophobicContact CG-CB 4.11Å; V43-L385 HydrophobicContact CG2-CD1 4.5Å; M56-L385 HydrophobicContact SD-CD1 4.04Å; M56-L385 HydrophobicContact SD-CD2 3.87Å; L72-L385 HydrophobicContact CD1-CD2 3.61Å; V105-L385 HydrophobicContact CG1-CD2 4.19Å; C377-L385 HydrophobicContact CB-CD1 4.43Å; S378-L385 WeakPolarHBondContact O-CA 3.45Å; V379-L385 HydrophobicContact CG1-CB 4.31Å; V379-L385 HydrophobicContact CG1-CD1 3.6Å
386Q96Very high92.1Very high2 Ų227.3 Ų27.31%0.00913%0.132CC..EExtended strand (participates in β ladder)trans-117.8139.7173.2-53.8-173.84.300110.3F31 I32 H356 G358 H359 C377 S378 I384F31-Q386 HydrophobicContact CE2-CB 4.48Å; F31-Q386 HydrophobicContact CZ-CB 4.28Å; F31-Q386 HydrophobicContact CZ-CG 4.13Å; F31-Q386 VanDerWaalsContact CZ-OE1 3.29Å; I32-Q386 CarbonylContact O-C 3.55Å; I32-Q386 WeakPolarHBondContact O-CA 3.08Å; H356-Q386 PolarHBondContact CE1-OE1 3.36Å; H356-Q386 PolarHBondContact NE2-OE1 2.79Å; G358-Q386 PolarHBondContact O-NE2 2.91Å; H359-Q386 PolarHBondContact ND1-NE2 3.35Å; C377-Q386 CarbonylContact C-O 3.59Å; C377-Q386 WeakPolarHBondContact CA-O 3.38Å; S378-Q386 PolarHBondContact N-O 2.97Å; S378-Q386 PolarHBondContact O-N 2.92Å; I384-Q386 HydrophobicContact CG2-CG 3.67Å
387V95.8Very high90.6Very high1 Ų131.8 Ų31.81%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-126.6121.1170-1790000107.6M30 I32 W45 M56 L76 I376 C377M30-V387 HydrophobicContact CE-CG1 3.74Å; I32-V387 HydrophobicContact CB-CB 4.23Å; I32-V387 PolarHBondContact N-O 3.08Å; I32-V387 PolarHBondContact O-N 2.98Å; W45-V387 HydrophobicContact CH2-CG1 3.95Å; W45-V387 HydrophobicContact CH2-CG2 4.25Å; W45-V387 HydrophobicContact CZ2-CG1 3.71Å; W45-V387 HydrophobicContact CZ2-CG2 4.15Å; M56-V387 HydrophobicContact CE-CG2 3.89Å; L76-V387 HydrophobicContact CD2-CG1 4.03Å; I376-V387 CarbonylContact O-C 3.56Å; I376-V387 WeakPolarHBondContact O-CA 3.31Å; C377-V387 HydrophobicContact CB-CG2 3.91Å
388W94.3Very high88.6Confident0 Ų038.5 Ų38.50%019%0.192CC..EExtended strand (participates in β ladder)trans-151.2157.3-169.854.1-95.6000111.5Y28 M30 F31 L328 F330 F354 H356 M375 I376 M390Y28-W388 HydrophobicContact CD1-CB 4.22Å; Y28-W388 HydrophobicContact CD1-CD2 4.33Å; Y28-W388 AromaticContact CD1-CE3 3.71Å; Y28-W388 HydrophobicContact CD1-CE3 3.71Å; Y28-W388 HydrophobicContact CD1-CZ3 4.41Å; Y28-W388 AromaticContact CE1-CD2 3.98Å; Y28-W388 HydrophobicContact CE1-CD2 3.98Å; Y28-W388 AromaticContact CE1-CE3 3.48Å; Y28-W388 HydrophobicContact CE1-CE3 3.48Å; Y28-W388 VanDerWaalsContact CE1-CE3 3.48Å; Y28-W388 HydrophobicContact CE1-CG 4.42Å; Y28-W388 AromaticContact CE1-CZ3 3.93Å; Y28-W388 HydrophobicContact CE1-CZ3 3.93Å; M30-W388 CarbonylContact O-C 3.54Å; M30-W388 WeakPolarHBondContact O-CA 3.5Å; M30-W388 WeakPolarHBondContact O-CB 3.49Å; F31-W388 HydrophobicContact CD2-CB 3.47Å; F31-W388 VanDerWaalsContact CD2-CB 3.47Å; F31-W388 HydrophobicContact CD2-CG 4.2Å; F31-W388 HydrophobicContact CE2-CB 3.92Å; F31-W388 HydrophobicContact CE2-CG 4.2Å; F31-W388 HydrophobicContact CG-CB 4.38Å; L328-W388 HydrophobicContact CD1-CZ2 4.2Å; F330-W388 HydrophobicContact CD2-CH2 4.36Å; F330-W388 AromaticContact CE2-CH2 3.36Å; F330-W388 HydrophobicContact CE2-CH2 3.36Å; F330-W388 HydrophobicContact CE2-CZ2 4.05Å; F330-W388 HydrophobicContact CE2-CZ3 4.38Å; F330-W388 AromaticContact CZ-CH2 3.45Å; F330-W388 HydrophobicContact CZ-CH2 3.45Å; F330-W388 VanDerWaalsContact CZ-CH2 3.45Å; F330-W388 HydrophobicContact CZ-CZ2 4Å; F330-W388 HydrophobicContact CZ-CZ3 4.45Å; F354-W388 HydrophobicContact CE1-CH2 4.31Å; F354-W388 HydrophobicContact CE1-CZ3 4.05Å; H356-W388 HydrophobicContact CB-CH2 3.72Å; H356-W388 HydrophobicContact CB-CZ2 3.6Å; H356-W388 HydrophobicContact CB-CZ3 4.49Å; H356-W388 AromaticContact CE1-CD1 3.83Å; H356-W388 AromaticContact CE1-CE2 3.87Å; H356-W388 AromaticContact CE1-NE1 3.54Å; H356-W388 AromaticContact CG-CE2 3.68Å; H356-W388 AromaticContact CG-CZ2 3.47Å; H356-W388 VanDerWaalsContact CG-CZ2 3.47Å; H356-W388 AromaticContact CG-NE1 3.95Å; H356-W388 AromaticContact ND1-CD2 3.83Å; H356-W388 AromaticContact ND1-CE2 3.46Å; H356-W388 AromaticContact ND1-CZ2 3.72Å; H356-W388 AromaticContact ND1-NE1 3.63Å; H356-W388 AromaticContact NE2-NE1 3.81Å; M375-W388 CarbonylContact C-O 3.6Å; M375-W388 WeakPolarHBondContact CA-O 3.41Å; I376-W388 HydrophobicContact CB-CD2 4.19Å; I376-W388 HydrophobicContact CB-CE3 4.44Å; I376-W388 HydrophobicContact CB-CH2 4.02Å; I376-W388 HydrophobicContact CB-CZ2 3.73Å; I376-W388 HydrophobicContact CB-CZ3 4.38Å; I376-W388 HydrophobicContact CG1-CH2 3.82Å; I376-W388 HydrophobicContact CG1-CZ2 4.03Å; I376-W388 HydrophobicContact CG1-CZ3 4.12Å; I376-W388 HydrophobicContact CG2-CH2 4.39Å; I376-W388 HydrophobicContact CG2-CZ2 3.75Å; I376-W388 PolarHBondContact N-O 2.81Å; I376-W388 PolarHBondContact O-N 3.36Å; W388-M390 HydrophobicContact CE3-CG 4.3Å; W388-M390 HydrophobicContact CH2-CG 4.47Å; W388-M390 HydrophobicContact CZ3-CG 3.53Å; W388-M390 HydrophobicContact CZ3-SD 4.34Å
389Q92.9Very high86.4Confident16 Ų1646.2 Ų46.28%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-130.3127.6179.2-173.8171.913.400109.1Y28 D29 M30 R373 F374 M375Y28-Q389 WeakPolarHBondContact CA-O 3.4Å; Y28-Q389 WeakPolarHBondContact CB-O 3.28Å; D29-Q389 PolarHBondContact N-O 3.25Å; M30-Q389 HydrophobicContact CB-CB 4.07Å; M30-Q389 HydrophobicContact CE-CB 4.41Å; M30-Q389 PolarHBondContact O-N 3.49Å; R373-Q389 PolarHBondContact O-NE2 3.12Å; R373-Q389 VanDerWaalsContact O-NE2 3.13Å; F374-Q389 WeakPolarHBondContact O-CA 3.41Å; M375-Q389 HydrophobicContact CB-CB 4.23Å; M375-Q389 HydrophobicContact CB-CG 4.22Å; M375-Q389 HydrophobicContact CE-CB 4.36Å; M375-Q389 HydrophobicContact CG-CB 4.47Å
390M91.4Very high84.1Confident0 Ų052.5 Ų52.50%026%0.257CS..EExtended strand (participates in β ladder)trans-62.6144.8176.4-61.1176.847.200110.3F330 L353 F354 F374 W388 I394 Y395F330-M390 HydrophobicContact CD1-SD 4.42Å; F330-M390 HydrophobicContact CD2-SD 4.2Å; F330-M390 HydrophobicContact CG-SD 4.1Å; L353-M390 HydrophobicContact CD2-CE 4.4Å; L353-M390 HydrophobicContact CG-CE 4.47Å; F354-M390 HydrophobicContact CB-CE 3.24Å; F354-M390 HydrophobicContact CB-SD 4.06Å; F354-M390 HydrophobicContact CD1-CE 3.82Å; F354-M390 HydrophobicContact CD1-CG 3.98Å; F354-M390 HydrophobicContact CD1-SD 3.74Å; F354-M390 HydrophobicContact CD2-CE 4.12Å; F354-M390 HydrophobicContact CE1-CG 4.12Å; F354-M390 HydrophobicContact CE1-SD 4.46Å; F354-M390 HydrophobicContact CG-CE 3.48Å; F354-M390 VanDerWaalsContact CG-CE 3.48Å; F354-M390 HydrophobicContact CG-SD 4.06Å; F374-M390 HydrophobicContact CB-CB 4.13Å; F374-M390 HydrophobicContact CB-CG 4.38Å; F374-M390 HydrophobicContact CB-SD 4.46Å; F374-M390 HydrophobicContact CD1-CE 4.39Å; F374-M390 HydrophobicContact CD1-SD 3.65Å; F374-M390 HydrophobicContact CE1-SD 4.28Å; F374-M390 HydrophobicContact CG-SD 4.36Å; F374-M390 PolarHBondContact O-N 2.61Å; W388-M390 HydrophobicContact CE3-CG 4.3Å; W388-M390 HydrophobicContact CH2-CG 4.47Å; W388-M390 HydrophobicContact CZ3-CG 3.53Å; W388-M390 HydrophobicContact CZ3-SD 4.34Å; M390-I394 HydrophobicContact CE-CB 4.25Å; M390-I394 HydrophobicContact CE-CG2 3.64Å; M390-Y395 HydrophobicContact CB-CD1 4.18Å; M390-Y395 HydrophobicContact CB-CE1 3.99Å; M390-Y395 HydrophobicContact CE-CD1 4.27Å
391T88.8Confident81.8Confident13 Ų1358 Ų588%0.0828%0.282CS..  trans-67.5136.2172.2-67.90000111.8M27 Y28 D29 H393 I394 Y395M27-T391 VanDerWaalsContact C-OG1 3.29Å; M27-T391 PolarHBondContact O-N 3.42Å; M27-T391 PolarHBondContact O-OG1 2.95Å; Y28-T391 VanDerWaalsContact C-OG1 3.27Å; Y28-T391 WeakPolarHBondContact CA-OG1 3.37Å; Y28-T391 PolarHBondContact N-OG1 2.92Å; D29-T391 PolarHBondContact N-OG1 2.93Å; D29-T391 WeakPolarHBondContact OD1-CA 3.4Å; D29-T391 WeakPolarHBondContact OD1-CB 3.45Å; D29-T391 WeakPolarHBondContact OD1-CG2 3.33Å; D29-T391 PolarHBondContact OD1-OG1 3.44Å; D29-T391 WeakPolarHBondContact OD2-CA 3.45Å; T391-H393 HydrophobicContact CG2-CB 4.18Å; T391-H393 PolarHBondContact O-N 3.22Å; T391-H393 VanDerWaalsContact O-N 3.17Å; T391-I394 WeakPolarHBondContact O-CB 3.32Å; T391-I394 PolarHBondContact O-N 3.39Å; T391-Y395 WeakPolarHBondContact O-CE1 3.13Å
392E84.5Confident79.1Confident100 Ų10060.9 Ų60.947%0.46730%0.3SS..G310 helixtrans-51.8-36.8-178.5-78.6179.2178.700114.6D29 I394 Y395 I396D29-E392 PolarHBondContact OD2-N 3.24Å; E392-I394 PolarHBondContact O-N 3.01Å; E392-Y395 HydrophobicContact CB-CE2 4.49Å; E392-Y395 HydrophobicContact CG-CE2 4.21Å; E392-Y395 WeakPolarHBondContact CG-OH 3.25Å; E392-Y395 PolarHBondContact O-N 3.18Å; E392-I396 HydrophobicContact CB-CD1 3.76Å; E392-I396 HydrophobicContact CB-CG1 4.41Å; E392-I396 HydrophobicContact CG-CD1 4.11Å; E392-I396 WeakPolarHBondContact O-CB 3.42Å; E392-I396 WeakPolarHBondContact O-CG1 3.5Å; E392-I396 PolarHBondContact O-N 3.22Å
393H82.3Confident76.3Confident146 Ų14663.6 Ų63.668%0.67632%0.321SS*.G310 helixtrans-60.1-15.6178.5-63.6-55.6000114.9T391T391-H393 HydrophobicContact CG2-CB 4.18Å; T391-H393 PolarHBondContact O-N 3.22Å; T391-H393 VanDerWaalsContact O-N 3.17Å
394I81.9Confident73.5Confident50 Ų5071.1 Ų71.126%0.25637%0.372SS..G310 helixtrans-81.2-31.9-179-62.1170.9000111.1L353 F354 M390 T391 E392L353-I394 WeakPolarHBondContact CD1-O 3.48Å; L353-I394 HydrophobicContact CG-CG2 4.42Å; F354-I394 HydrophobicContact CB-CG2 4.23Å; F354-I394 HydrophobicContact CD2-CD1 3.75Å; F354-I394 HydrophobicContact CD2-CG2 4.17Å; F354-I394 HydrophobicContact CE2-CD1 3.71Å; M390-I394 HydrophobicContact CE-CB 4.25Å; M390-I394 HydrophobicContact CE-CG2 3.64Å; T391-I394 WeakPolarHBondContact O-CB 3.32Å; T391-I394 PolarHBondContact O-N 3.39Å; E392-I394 PolarHBondContact O-N 3.01Å
395Y79Confident72.4Confident26 Ų2673.9 Ų73.910%0.10239%0.387CS..THydrogen-bonded Turntrans-125.5-6.7-167.959.6-106.9000114.8R373 F374 M390 T391 E392R373-Y395 VanDerWaalsContact NH1-CE2 3.35Å; F374-Y395 HydrophobicContact CB-CD1 4.41Å; F374-Y395 HydrophobicContact CB-CE1 3.86Å; F374-Y395 HydrophobicContact CD1-CD1 4.36Å; F374-Y395 AromaticContact CD2-CD1 3.47Å; F374-Y395 HydrophobicContact CD2-CD1 3.47Å; F374-Y395 VanDerWaalsContact CD2-CD1 3.47Å; F374-Y395 AromaticContact CD2-CD2 3.64Å; F374-Y395 HydrophobicContact CD2-CD2 3.64Å; F374-Y395 AromaticContact CD2-CE1 3.36Å; F374-Y395 HydrophobicContact CD2-CE1 3.36Å; F374-Y395 AromaticContact CD2-CE2 3.58Å; F374-Y395 HydrophobicContact CD2-CE2 3.58Å; F374-Y395 AromaticContact CD2-CG 3.58Å; F374-Y395 HydrophobicContact CD2-CG 3.58Å; F374-Y395 AromaticContact CD2-CZ 3.4Å; F374-Y395 AromaticContact CE2-CD1 3.68Å; F374-Y395 HydrophobicContact CE2-CD1 3.68Å; F374-Y395 AromaticContact CE2-CD2 3.37Å; F374-Y395 HydrophobicContact CE2-CD2 3.37Å; F374-Y395 HydrophobicContact CE2-CE1 4.03Å; F374-Y395 AromaticContact CE2-CE2 3.78Å; F374-Y395 HydrophobicContact CE2-CE2 3.78Å; F374-Y395 AromaticContact CE2-CG 3.3Å; F374-Y395 HydrophobicContact CE2-CG 3.3Å; F374-Y395 AromaticContact CG-CD1 3.85Å; F374-Y395 HydrophobicContact CG-CD1 3.85Å; F374-Y395 AromaticContact CG-CE1 3.72Å; F374-Y395 HydrophobicContact CG-CE1 3.72Å; F374-Y395 HydrophobicContact CG-CG 4.34Å; F374-Y395 HydrophobicContact CZ-CD1 4.22Å; F374-Y395 HydrophobicContact CZ-CD2 4.3Å; F374-Y395 AromaticContact CZ-CG 3.87Å; F374-Y395 HydrophobicContact CZ-CG 3.87Å; M390-Y395 HydrophobicContact CB-CD1 4.18Å; M390-Y395 HydrophobicContact CB-CE1 3.99Å; M390-Y395 HydrophobicContact CE-CD1 4.27Å; T391-Y395 WeakPolarHBondContact O-CE1 3.13Å; E392-Y395 HydrophobicContact CB-CE2 4.49Å; E392-Y395 HydrophobicContact CG-CE2 4.21Å; E392-Y395 WeakPolarHBondContact CG-OH 3.25Å; E392-Y395 PolarHBondContact O-N 3.18Å
396I76.1Confident71.1Confident29 Ų2977.7 Ų77.715%0.14941%0.407CS..SBendtrans-87.1117.2168.7-64-177.5000107E392 E400 F401E392-I396 HydrophobicContact CB-CD1 3.76Å; E392-I396 HydrophobicContact CB-CG1 4.41Å; E392-I396 HydrophobicContact CG-CD1 4.11Å; E392-I396 WeakPolarHBondContact O-CB 3.42Å; E392-I396 WeakPolarHBondContact O-CG1 3.5Å; E392-I396 PolarHBondContact O-N 3.22Å; I396-E400 HydrophobicContact CG2-CB 3.78Å; I396-E400 HydrophobicContact CG2-CG 4.49Å; I396-F401 HydrophobicContact CB-CE2 4.13Å; I396-F401 HydrophobicContact CG2-CD2 3.93Å; I396-F401 HydrophobicContact CG2-CE2 3.52Å; I396-F401 HydrophobicContact CG2-CZ 4.28Å
397D64.3Low69.7Low94 Ų9481.9 Ų81.950%0.50343%0.429SS..  trans-63.7141.9171.2-71.3-36000109.2K335 E399 E400K335-D397 IonicContact NZ-OD1 3.4Å; K335-D397 PolarHBondContact NZ-OD1 3.31Å; K335-D397 IonicContact NZ-OD2 2.88Å; D397-E399 PolarHBondContact O-N 2.64Å; D397-E400 PolarHBondContact O-N 2.66Å
398D57.3Low68.1Low141 Ų14186.7 Ų86.775%0.75445%0.454SS*.Hα-helixtrans-52.8-24.1-179.3-74.8-36.3000113.2E400 F401D398-E400 VanDerWaalsContact C-N 3.3Å; D398-E400 PolarHBondContact O-N 3.2Å; D398-F401 PolarHBondContact O-N 3.01Å
399E52.7Low66.5Low163 Ų16392.1 Ų92.176%0.76248%0.482SS*.Hα-helixtrans-66-23.5177.6-62.1-168.3171.600114D397 D402D397-E399 PolarHBondContact O-N 2.64Å; E399-D402 PolarHBondContact O-N 2.65Å
400E49.8Very low64.8Low131 Ų13197.2 Ų97.261%0.61251%0.51SS*.Hα-helixtrans-75.5-24.9174.8-74.3-167161.500112.5I396 D397 D398 D402I396-E400 HydrophobicContact CG2-CB 3.78Å; I396-E400 HydrophobicContact CG2-CG 4.49Å; D397-E400 PolarHBondContact O-N 2.66Å; D398-E400 VanDerWaalsContact C-N 3.3Å; D398-E400 PolarHBondContact O-N 3.2Å; E400-D402 VanDerWaalsContact C-N 3.27Å; E400-D402 PolarHBondContact O-N 3.15Å
401F48.9Very low62.9Low117 Ų117104.1 Ų104.151%0.51355%0.546SS..Hα-helixtrans-74.8-17.3173.8-74.2-80.2000113I396 D398I396-F401 HydrophobicContact CB-CE2 4.13Å; I396-F401 HydrophobicContact CG2-CD2 3.93Å; I396-F401 HydrophobicContact CG2-CE2 3.52Å; I396-F401 HydrophobicContact CG2-CZ 4.28Å; D398-F401 PolarHBondContact O-N 3.01Å
402D40.3Very low60.9Low144 Ų144111.2 Ų111.277%0.7758%0.582SS**THydrogen-bonded Turntrans-92.810.4-178.8-91-16.8000114.2E399 E400 P404E399-D402 PolarHBondContact O-N 2.65Å; E400-D402 VanDerWaalsContact C-N 3.27Å; E400-D402 PolarHBondContact O-N 3.15Å; D402-P404 WeakPolarHBondContact O-CD 3.33Å
403C35.3Very low58.9Low102 Ų102112.1 Ų112.169%0.68959%0.591SS**  trans-85.1112.6168.9-74.10000110.9
404P38.8Very low56.8Low202 Ų202109 Ų109100%1.31258%0.584SS**  trans-74.30-16830.2-36.5000116.2D402D402-P404 WeakPolarHBondContact O-CD 3.33Å

Retrieved 404 of 404 residues in 323.7 ms (Link to these results)

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