G4VB75_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4VB75, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 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
1M49.9Very low80.1Confident195 Ų195102.1 Ų102.196%0.96153%0.534SS*.  0123.20-67.2172.4-165.300107.7H5M1-H5 HydrophobicContact CB-CB 4.31Å
2T53.9Low81.6Confident79 Ų7996.3 Ų96.349%0.48551%0.512SS..  trans-61.6153.8168.951.50000109E4 H5T2-E4 PolarHBondContact O-N 3.34Å; T2-H5 PolarHBondContact O-N 3.29Å; T2-H5 PolarHBondContact OG1-CE1 2.97Å; T2-H5 PolarHBondContact OG1-ND1 2.94Å
3P61.8Low82.9Confident117 Ų11793.5 Ų93.576%0.7650%0.497SS*.G310 helixtrans-52.2-29.2-175.5-26.834000114H5 K6P3-H5 VanDerWaalsContact C-N 3.25Å; P3-H5 PolarHBondContact O-N 3.41Å; P3-K6 PolarHBondContact O-N 2.8Å
4E65.7Low84Confident146 Ų14688 Ų8868%0.68247%0.468SS*.G310 helixtrans-65.5-23.9179.5-56.3-173.9-176.900113.7T2 G80T2-E4 PolarHBondContact O-N 3.34Å; E4-G80 PolarHBondContact O-N 3.32Å
5H74Confident85Confident58 Ų5886.4 Ų86.427%0.26947%0.466SS..G310 helixtrans-95.2-1.3179.8-63.4104.4000113.6M1 T2 P3 A7M1-H5 HydrophobicContact CB-CB 4.31Å; T2-H5 PolarHBondContact O-N 3.29Å; T2-H5 PolarHBondContact OG1-CE1 2.97Å; T2-H5 PolarHBondContact OG1-ND1 2.94Å; P3-H5 VanDerWaalsContact C-N 3.25Å; P3-H5 PolarHBondContact O-N 3.41Å; H5-A7 PolarHBondContact O-N 3.33Å
6K88.9Confident85.8Confident145 Ų14588.9 Ų88.963%0.6348%0.479SS*.  trans-75.5119.8178.9-173.3178.6178.7-179.10109.9P3P3-K6 PolarHBondContact O-N 2.8Å
7A96.6Very high86.5Confident26 Ų2691.4 Ų91.422%0.21549%0.492CS..EExtended strand (participates in β ladder)trans-72.6137.5171.600000111.7H5 V23 F77 Y78 M79H5-A7 PolarHBondContact O-N 3.33Å; A7-V23 HydrophobicContact CB-CB 4.28Å; A7-V23 HydrophobicContact CB-CG1 3.76Å; A7-V23 HydrophobicContact CB-CG2 3.52Å; A7-F77 HydrophobicContact CB-CD2 4.06Å; A7-Y78 CarbonylContact C-O 3.5Å; A7-Y78 VanDerWaalsContact CA-O 3.28Å; A7-Y78 WeakPolarHBondContact CA-O 3.28Å; A7-M79 HydrophobicContact CB-CE 3.97Å; A7-M79 HydrophobicContact CB-CG 4.28Å
8V97.4Very high87.2Confident68 Ų6887.3 Ų87.341%0.41247%0.47SS..EExtended strand (participates in β ladder)trans-118.797.8169.2-1790000107.8K10 F77 Y78V8-K10 HydrophobicContact CG1-CD 4.38Å; V8-K10 PolarHBondContact O-N 3.43Å; V8-F77 CarbonylContact O-C 3.5Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.49Å; V8-F77 WeakPolarHBondContact O-CB 3.31Å; V8-Y78 PolarHBondContact N-O 2.9Å; V8-Y78 PolarHBondContact O-N 2.89Å
9V97.8Very high87.8Confident62 Ų6284.6 Ų84.638%0.37645%0.454SS..EExtended strand (participates in β ladder)trans-68.4126.5176.1-176.40000109.2A12 I75 F77V9-A12 HydrophobicContact CG1-CB 4Å; V9-I75 HydrophobicContact CG1-CG1 4.36Å; V9-I75 HydrophobicContact CG2-CD1 4.45Å; V9-F77 HydrophobicContact CB-CB 4.4Å; V9-F77 HydrophobicContact CG2-CB 4.14Å
10K97.7Very high88.3Confident129 Ų12985.3 Ų85.356%0.56145%0.454SS*.EExtended strand (participates in β ladder)trans-101.2-37.5178.7-66.4-60.1-175.7-178.40111.8V8 Y76 Y78V8-K10 HydrophobicContact CG1-CD 4.38Å; V8-K10 PolarHBondContact O-N 3.43Å; K10-Y76 HydrophobicContact CB-CD1 3.56Å; K10-Y76 HydrophobicContact CB-CE1 3.87Å; K10-Y76 HydrophobicContact CB-CG 4.5Å; K10-Y76 HydrophobicContact CG-CD1 4.23Å; K10-Y76 HydrophobicContact CG-CE1 4.1Å; K10-Y76 PolarHBondContact N-O 2.8Å; K10-Y78 HydrophobicContact CD-CD2 4.5Å; K10-Y78 HydrophobicContact CG-CD2 3.76Å; K10-Y78 HydrophobicContact CG-CE2 4.03Å
11N97.9Very high88.8Confident98 Ų9883.2 Ų83.252%0.52444%0.443SS..EExtended strand (participates in β ladder)trans-154.6144.2174.9-164.25.9000109.5F74 Y76N11-F74 HydrophobicContact CB-CE1 4.22Å; N11-Y76 PolarHBondContact N-O 3.36Å; N11-Y76 VanDerWaalsContact N-O 3.13Å; N11-Y76 PolarHBondContact O-N 2.91Å
12A98.2Very high91.2Very high33 Ų3373.9 Ų73.927%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-152.6136.2177.400000110.4V9 Q19 F74 I75V9-A12 HydrophobicContact CG1-CB 4Å; A12-Q19 HydrophobicContact CB-CG 4.22Å; A12-F74 CarbonylContact C-O 3.59Å; A12-F74 WeakPolarHBondContact CA-O 3.38Å; A12-I75 HydrophobicContact CB-CG1 4.05Å
13D98.4Very high93.3Very high59 Ų5971 Ų7132%0.31638%0.38SS..EExtended strand (participates in β ladder)trans-12682.1162175.729.1000106.7K72 H73 F74D13-K72 VanDerWaalsContact CG-N 3.34Å; D13-K72 CarbonylContact O-C 3.55Å; D13-K72 WeakPolarHBondContact O-CA 3.39Å; D13-K72 PolarHBondContact OD1-N 2.77Å; D13-K72 PolarHBondContact OD2-N 2.97Å; D13-H73 PolarHBondContact O-N 3.46Å; D13-F74 CarbonylContact C-O 3.6Å; D13-F74 HydrophobicContact CB-CB 4.41Å; D13-F74 PolarHBondContact N-O 3.39Å; D13-F74 PolarHBondContact O-N 2.99Å
14M98.3Very high95Very high17 Ų1768.4 Ų68.48%0.08436%0.359CS..SBendtrans-171168.3174.752.81665000110M18 Q19 W55 K72 I75M14-M18 HydrophobicContact CB-CB 4.4Å; M14-M18 HydrophobicContact CB-SD 4.05Å; M14-M18 HydrophobicContact CE-CG 3.81Å; M14-M18 HydrophobicContact CE-SD 3.53Å; M14-M18 VanDerWaalsContact CE-SD 3.53Å; M14-M18 HydrophobicContact SD-CB 4.01Å; M14-M18 HydrophobicContact SD-CG 3.78Å; M14-M18 HydrophobicContact SD-SD 4.16Å; M14-Q19 HydrophobicContact CG-CG 3.54Å; M14-Q19 PolarHBondContact O-NE2 3.47Å; M14-Q19 HydrophobicContact SD-CB 4.41Å; M14-Q19 HydrophobicContact SD-CG 3.77Å; M14-W55 HydrophobicContact CE-CH2 3.85Å; M14-W55 HydrophobicContact CE-CZ3 3.98Å; M14-K72 WeakPolarHBondContact CA-O 3.24Å; M14-K72 VanDerWaalsContact CB-O 3.27Å; M14-K72 WeakPolarHBondContact CB-O 3.34Å; M14-I75 HydrophobicContact CE-CB 4.2Å; M14-I75 HydrophobicContact CE-CG2 4.07Å; M14-I75 HydrophobicContact CG-CB 4.38Å; M14-I75 HydrophobicContact SD-CB 3.79Å; M14-I75 HydrophobicContact SD-CD1 4.31Å; M14-I75 HydrophobicContact SD-CG2 3.98Å
15S98.3Very high96.5Very high64 Ų6462 Ų6245%0.44833%0.331SS..  trans-68.2152.5178.260.30000112.6D17 M18 Q19S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 2.8Å; S15-M18 PolarHBondContact O-N 3.07Å; S15-M18 WeakPolarHBondContact OG-CB 3.38Å; S15-M18 PolarHBondContact OG-N 3.04Å; S15-Q19 WeakPolarHBondContact O-CG 3.32Å; S15-Q19 PolarHBondContact O-N 3.2Å
16D98.2Very high97.7Very high126 Ų12659.3 Ų59.367%0.67432%0.318SS*.Hα-helixtrans-56.6-39.3178.6-64.5-18.2000112.4M18 Q19 Q20D16-M18 VanDerWaalsContact C-N 3.33Å; D16-M18 PolarHBondContact O-N 3.29Å; D16-Q19 WeakPolarHBondContact O-CB 3.48Å; D16-Q19 PolarHBondContact O-N 3.48Å; D16-Q20 PolarHBondContact O-N 2.85Å
17D98.4Very high98.1Very high131 Ų13153.3 Ų53.370%0.70130%0.295SS*.Hα-helixtrans-60.6-41.6175-66.3-19.9000112S15 Q20 D21S15-D17 VanDerWaalsContact C-N 3.26Å; S15-D17 PolarHBondContact O-N 2.8Å; D17-Q20 PolarHBondContact O-N 3.13Å; D17-D21 PolarHBondContact O-N 2.85Å
18M98.7Very high98.1Very high19 Ų1956.4 Ų56.49%0.09431%0.306CS..Hα-helixtrans-72.6-32.9178.2-167.7-179.1-64.400111.5M14 S15 D16 D21 A22 F47 Y51 W55M14-M18 HydrophobicContact CB-CB 4.4Å; M14-M18 HydrophobicContact CB-SD 4.05Å; M14-M18 HydrophobicContact CE-CG 3.81Å; M14-M18 HydrophobicContact CE-SD 3.53Å; M14-M18 VanDerWaalsContact CE-SD 3.53Å; M14-M18 HydrophobicContact SD-CB 4.01Å; M14-M18 HydrophobicContact SD-CG 3.78Å; M14-M18 HydrophobicContact SD-SD 4.16Å; S15-M18 PolarHBondContact O-N 3.07Å; S15-M18 WeakPolarHBondContact OG-CB 3.38Å; S15-M18 PolarHBondContact OG-N 3.04Å; D16-M18 VanDerWaalsContact C-N 3.33Å; D16-M18 PolarHBondContact O-N 3.29Å; M18-D21 PolarHBondContact O-N 3Å; M18-A22 PolarHBondContact O-N 2.86Å; M18-F47 HydrophobicContact CG-CE1 4.1Å; M18-Y51 HydrophobicContact CE-CD1 3.71Å; M18-Y51 HydrophobicContact CE-CE1 3.66Å; M18-Y51 HydrophobicContact CE-CG 4.26Å; M18-Y51 HydrophobicContact CG-CE1 4.4Å; M18-Y51 HydrophobicContact CG-CE2 4Å; M18-W55 HydrophobicContact SD-CH2 3.75Å; M18-W55 HydrophobicContact SD-CZ2 4.18Å
19Q98.7Very high98.1Very high36 Ų3653.1 Ų53.117%0.16829%0.286CS..Hα-helixtrans-64.1-44.7172-63.8-178.84500111A12 M14 S15 D16 D21 A22 V23 I75A12-Q19 HydrophobicContact CB-CG 4.22Å; M14-Q19 HydrophobicContact CG-CG 3.54Å; M14-Q19 PolarHBondContact O-NE2 3.47Å; M14-Q19 HydrophobicContact SD-CB 4.41Å; M14-Q19 HydrophobicContact SD-CG 3.77Å; S15-Q19 WeakPolarHBondContact O-CG 3.32Å; S15-Q19 PolarHBondContact O-N 3.2Å; D16-Q19 WeakPolarHBondContact O-CB 3.48Å; D16-Q19 PolarHBondContact O-N 3.48Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 3.18Å; Q19-A22 WeakPolarHBondContact O-CB 3.46Å; Q19-A22 PolarHBondContact O-N 2.89Å; Q19-A22 VanDerWaalsContact O-N 3.15Å; Q19-V23 WeakPolarHBondContact O-CG2 3.38Å; Q19-V23 PolarHBondContact O-N 3.03Å; Q19-I75 HydrophobicContact CB-CD1 3.85Å; Q19-I75 HydrophobicContact CG-CD1 3.86Å
20Q98.2Very high98Very high98 Ų9852.4 Ų52.446%0.45828%0.28SS..Hα-helixtrans-62.8-41.9177.3-171.858.652.900111.1D16 D17 A22 V23 D24D16-Q20 PolarHBondContact O-N 2.85Å; D17-Q20 PolarHBondContact O-N 3.13Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.28Å; Q20-V23 WeakPolarHBondContact O-CB 3.43Å; Q20-V23 PolarHBondContact O-N 2.88Å; Q20-D24 PolarHBondContact NE2-OD1 3.26Å; Q20-D24 PolarHBondContact NE2-OD2 3.36Å; Q20-D24 WeakPolarHBondContact O-CB 3.46Å; Q20-D24 VanDerWaalsContact O-CG 3.28Å; Q20-D24 PolarHBondContact O-N 2.9Å
21D98.5Very high97.9Very high41 Ų4153 Ų5322%0.21928%0.284CS..Hα-helixtrans-59.9-39.2172.7-83.3-30000113D17 M18 Q19 D24 C25 F47 K50 Y51D17-D21 PolarHBondContact O-N 2.85Å; M18-D21 PolarHBondContact O-N 3Å; Q19-D21 VanDerWaalsContact C-N 3.33Å; Q19-D21 PolarHBondContact O-N 3.18Å; D21-D24 PolarHBondContact O-N 2.98Å; D21-C25 WeakPolarHBondContact O-CB 3.45Å; D21-C25 PolarHBondContact O-N 2.83Å; D21-F47 HydrophobicContact CB-CZ 4.23Å; D21-K50 IonicContact OD1-NZ 2.91Å; D21-K50 PolarHBondContact OD1-NZ 2.94Å; D21-K50 VanDerWaalsContact OD2-CE 3.26Å; D21-K50 WeakPolarHBondContact OD2-CE 3.44Å; D21-K50 IonicContact OD2-NZ 2.65Å; D21-K50 PolarHBondContact OD2-NZ 2.94Å; D21-Y51 HydrophobicContact CB-CE2 4.42Å; D21-Y51 PolarHBondContact OD2-OH 2.99Å
22A98.7Very high97.9Very high0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-65.5-42.4178.200000111.1M18 Q19 Q20 A26 F47 I75 F77 L86M18-A22 PolarHBondContact O-N 2.86Å; Q19-A22 WeakPolarHBondContact O-CB 3.46Å; Q19-A22 PolarHBondContact O-N 2.89Å; Q19-A22 VanDerWaalsContact O-N 3.15Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.28Å; A22-A26 VanDerWaalsContact O-CB 3.28Å; A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.42Å; A22-F47 VanDerWaalsContact CA-CZ 3.41Å; A22-F47 HydrophobicContact CB-CE1 4.34Å; A22-F47 HydrophobicContact CB-CE2 4.21Å; A22-F47 HydrophobicContact CB-CZ 3.59Å; A22-I75 HydrophobicContact CB-CD1 4.21Å; A22-I75 HydrophobicContact CB-CG2 3.97Å; A22-F77 HydrophobicContact CB-CE1 4.24Å; A22-L86 HydrophobicContact CB-CD2 3.96Å
23V98.2Very high97.9Very high19 Ų1957.1 Ų57.112%0.11529%0.29CS..Hα-helixtrans-62.1-50.8175.1164.10000110.5A7 Q19 Q20 C25 A26 A27 F77 M79A7-V23 HydrophobicContact CB-CB 4.28Å; A7-V23 HydrophobicContact CB-CG1 3.76Å; A7-V23 HydrophobicContact CB-CG2 3.52Å; Q19-V23 WeakPolarHBondContact O-CG2 3.38Å; Q19-V23 PolarHBondContact O-N 3.03Å; Q20-V23 WeakPolarHBondContact O-CB 3.43Å; Q20-V23 PolarHBondContact O-N 2.88Å; V23-C25 PolarHBondContact O-N 3.22Å; V23-A26 PolarHBondContact O-N 3.19Å; V23-A27 PolarHBondContact O-N 2.99Å; V23-F77 HydrophobicContact CG2-CD2 4.31Å; V23-F77 HydrophobicContact CG2-CE2 4.16Å; V23-F77 HydrophobicContact CG2-CZ 4.43Å; V23-M79 HydrophobicContact CB-CE 4.13Å; V23-M79 HydrophobicContact CG1-CE 3.51Å; V23-M79 WeakPolarHBondContact O-CE 3.44Å
24D97.7Very high97.7Very high62 Ų6260 Ų6033%0.33232%0.315SS..Hα-helixtrans-66.1-38.9-178.3-68.5-16.4000111.8Q20 D21 A27 Q28Q20-D24 PolarHBondContact NE2-OD1 3.26Å; Q20-D24 PolarHBondContact NE2-OD2 3.36Å; Q20-D24 WeakPolarHBondContact O-CB 3.46Å; Q20-D24 VanDerWaalsContact O-CG 3.28Å; Q20-D24 PolarHBondContact O-N 2.9Å; D21-D24 PolarHBondContact O-N 2.98Å; D24-A27 PolarHBondContact O-N 3.15Å; D24-Q28 WeakPolarHBondContact O-CG 3.39Å; D24-Q28 PolarHBondContact O-N 2.88Å; D24-Q28 PolarHBondContact O-NE2 3.39Å
25C98.5Very high97.6Very high12 Ų1262.6 Ų62.68%0.08133%0.331CS..Hα-helixtrans-63.9-42.9175-171.90000111.4D21 V23 Q28 A29 F47D21-C25 WeakPolarHBondContact O-CB 3.45Å; D21-C25 PolarHBondContact O-N 2.83Å; V23-C25 PolarHBondContact O-N 3.22Å; C25-Q28 PolarHBondContact O-N 3.44Å; C25-A29 WeakPolarHBondContact O-CB 3.11Å; C25-A29 PolarHBondContact O-N 3.48Å; C25-F47 HydrophobicContact CB-CE2 3.98Å
26A98.3Very high97.6Very high0 Ų063.3 Ų63.30%033%0.327CS..Hα-helixtrans-66.7-39.7176.500000112.9A22 V23 Q28 A29 L30 I43 F77 M79 I84A22-A26 VanDerWaalsContact O-CB 3.28Å; A22-A26 WeakPolarHBondContact O-CB 3.37Å; A22-A26 PolarHBondContact O-N 3.42Å; V23-A26 PolarHBondContact O-N 3.19Å; A26-Q28 PolarHBondContact O-N 3.26Å; A26-A29 WeakPolarHBondContact O-CB 3.48Å; A26-A29 PolarHBondContact O-N 3.5Å; A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.47Å; A26-L30 PolarHBondContact O-N 2.84Å; A26-I43 HydrophobicContact CB-CD1 3.83Å; A26-F77 HydrophobicContact CB-CE2 3.93Å; A26-F77 HydrophobicContact CB-CZ 3.66Å; A26-M79 HydrophobicContact CB-CE 4.37Å; A26-M79 HydrophobicContact CB-SD 3.94Å; A26-I84 HydrophobicContact CB-CD1 3.73Å
27A97Very high97.6Very high19 Ų1964.1 Ų64.116%0.15733%0.325CS..Hα-helixtrans-58.4-48.317400000110.9V23 D24 A29 L30 E31 M79V23-A27 PolarHBondContact O-N 2.99Å; D24-A27 PolarHBondContact O-N 3.15Å; A27-A29 VanDerWaalsContact C-N 3.29Å; A27-A29 PolarHBondContact O-N 3.24Å; A27-L30 PolarHBondContact O-N 2.87Å; A27-E31 WeakPolarHBondContact O-CG 3.33Å; A27-E31 PolarHBondContact O-N 3.45Å; A27-M79 HydrophobicContact CB-CE 4.12Å; A27-M79 HydrophobicContact CB-SD 4.48Å
28Q97Very high97.6Very high91 Ų9160.6 Ų60.643%0.42531%0.306SS..Hα-helixtrans-61.1-37.5175.6-70.7175.35200112.8D24 C25 A26 K32 F42D24-Q28 WeakPolarHBondContact O-CG 3.39Å; D24-Q28 PolarHBondContact O-N 2.88Å; D24-Q28 PolarHBondContact O-NE2 3.39Å; C25-Q28 PolarHBondContact O-N 3.44Å; A26-Q28 PolarHBondContact O-N 3.26Å; Q28-K32 WeakPolarHBondContact O-CG 3.45Å; Q28-K32 PolarHBondContact O-N 3.06Å; Q28-F42 HydrophobicContact CB-CE1 4.31Å
29A97.9Very high97.6Very high0 Ų060 Ų600%030%0.303CS..Hα-helixtrans-66.3-43.8177.900000111.5C25 A26 A27 E31 K32 Y33 I39 F42 I43C25-A29 WeakPolarHBondContact O-CB 3.11Å; C25-A29 PolarHBondContact O-N 3.48Å; A26-A29 WeakPolarHBondContact O-CB 3.48Å; A26-A29 PolarHBondContact O-N 3.5Å; A27-A29 VanDerWaalsContact C-N 3.29Å; A27-A29 PolarHBondContact O-N 3.24Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 3.49Å; A29-K32 PolarHBondContact O-N 3.41Å; A29-Y33 WeakPolarHBondContact O-CD2 3.1Å; A29-Y33 PolarHBondContact O-N 2.98Å; A29-I39 HydrophobicContact CB-CB 4.35Å; A29-I39 HydrophobicContact CB-CG2 3.59Å; A29-F42 HydrophobicContact CB-CB 4.33Å; A29-F42 HydrophobicContact CB-CD1 3.57Å; A29-F42 HydrophobicContact CB-CE1 4.25Å; A29-F42 HydrophobicContact CB-CG 4.23Å; A29-I43 HydrophobicContact CB-CD1 4.21Å; A29-I43 HydrophobicContact CB-CG1 3.87Å
30L96.2Very high97.6Very high47 Ų4758.8 Ų58.825%0.24630%0.3CS..Hα-helixtrans-67.1-30.1178.7-73.1165.5000112.8A26 A27 I39 M79A26-L30 WeakPolarHBondContact O-CB 3.42Å; A26-L30 VanDerWaalsContact O-CG 3.32Å; A26-L30 WeakPolarHBondContact O-CG 3.47Å; A26-L30 PolarHBondContact O-N 2.84Å; A27-L30 PolarHBondContact O-N 2.87Å; L30-I39 HydrophobicContact CD2-CD1 3.71Å; L30-I39 HydrophobicContact CD2-CG2 4.41Å; L30-I39 HydrophobicContact CG-CG2 4.46Å; L30-M79 HydrophobicContact CD1-CB 3.85Å; L30-M79 HydrophobicContact CD1-CG 4.4Å; L30-M79 HydrophobicContact CD1-SD 3.63Å
31E95.6Very high97.7Very high141 Ų14156 Ų5666%0.65929%0.293SS*.Hα-helixtrans-71.7-33.3172.5-73.8178.2-179.800112.7A27 A29A27-E31 WeakPolarHBondContact O-CG 3.33Å; A27-E31 PolarHBondContact O-N 3.45Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-E31 PolarHBondContact O-N 3.49Å
32K96.8Very high97.7Very high124 Ų12455.3 Ų55.354%0.53929%0.288SS..Hα-helixtrans-91.1-29.6-174.1-71.9174.1-175.8170.60114.2Q28 A29 F42Q28-K32 WeakPolarHBondContact O-CG 3.45Å; Q28-K32 PolarHBondContact O-N 3.06Å; A29-K32 PolarHBondContact O-N 3.41Å; K32-F42 HydrophobicContact CD-CE2 4.46Å
33Y97.4Very high97.7Very high94 Ų9455.4 Ų55.437%0.36929%0.288SS..  trans-131.2139.2-169.3-55.6-73.4000111.3A29 D38 F42A29-Y33 WeakPolarHBondContact O-CD2 3.1Å; A29-Y33 PolarHBondContact O-N 2.98Å; Y33-D38 HydrophobicContact CD1-CB 3.9Å; Y33-D38 HydrophobicContact CG-CB 4.06Å; Y33-F42 HydrophobicContact CD2-CB 4.17Å; Y33-F42 HydrophobicContact CD2-CG 4.48Å; Y33-F42 HydrophobicContact CE2-CB 3.69Å; Y33-F42 AromaticContact CE2-CD2 3.64Å; Y33-F42 HydrophobicContact CE2-CD2 3.64Å; Y33-F42 HydrophobicContact CE2-CE2 4.49Å; Y33-F42 AromaticContact CE2-CG 3.78Å; Y33-F42 HydrophobicContact CE2-CG 3.78Å
34S94.8Very high97.7Very high120 Ų12057.7 Ų57.784%0.83930%0.297SS*.SBendtrans-98-16.8175.159.40000113.6
35V97.6Very high97.8Very high71 Ų7161.5 Ų61.543%0.4331%0.311SS..SBendtrans-97124.2-176.1-179.80000109.7K37 D38 I39V35-K37 HydrophobicContact CG1-CB 4.13Å; V35-K37 PolarHBondContact O-N 3.44Å; V35-K37 VanDerWaalsContact O-N 3.15Å; V35-D38 HydrophobicContact CB-CB 4.39Å; V35-D38 PolarHBondContact O-N 2.87Å; V35-I39 WeakPolarHBondContact O-CG1 3.4Å; V35-I39 PolarHBondContact O-N 2.81Å
36E97.9Very high97.8Very high79 Ų7964.7 Ų64.737%0.36932%0.324SS..Hα-helixtrans-51.2-41.9-177.6-66.1175.6156.300112.8D38 I39 A40 V59 G60 R61E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.49Å; E36-I39 PolarHBondContact O-N 2.95Å; E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 2.91Å; E36-V59 HydrophobicContact CB-CB 4.32Å; E36-V59 HydrophobicContact CB-CG1 4.16Å; E36-V59 HydrophobicContact CG-CG1 4.24Å; E36-G60 WeakPolarHBondContact OE1-CA 3.5Å; E36-R61 PolarHBondContact OE1-N 3.18Å
37K98.3Very high97.8Very high143 Ų14365 Ų6562%0.62233%0.325SS*.Hα-helixtrans-58.6-41.6175.8-174.5-169.764.163.20112.6V35 A41V35-K37 HydrophobicContact CG1-CB 4.13Å; V35-K37 PolarHBondContact O-N 3.44Å; V35-K37 VanDerWaalsContact O-N 3.15Å; K37-A41 VanDerWaalsContact O-CB 3.3Å; K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 2.92Å
38D98.6Very high97.9Very high56 Ų5665.3 Ų65.330%0.29933%0.325SS..Hα-helixtrans-76.8-35.9-176.6-63.3-29000111Y33 V35 E36 A41 F42Y33-D38 HydrophobicContact CD1-CB 3.9Å; Y33-D38 HydrophobicContact CG-CB 4.06Å; V35-D38 HydrophobicContact CB-CB 4.39Å; V35-D38 PolarHBondContact O-N 2.87Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.49Å; D38-A41 PolarHBondContact O-N 2.81Å; D38-F42 PolarHBondContact O-N 2.9Å
39I98.6Very high98Very high6 Ų668.9 Ų68.93%0.03134%0.339CS..Hα-helixtrans-59.6-52170.6-59.4161.9000109.8A29 L30 V35 E36 A41 F42 I43 V59A29-I39 HydrophobicContact CB-CB 4.35Å; A29-I39 HydrophobicContact CB-CG2 3.59Å; L30-I39 HydrophobicContact CD2-CD1 3.71Å; L30-I39 HydrophobicContact CD2-CG2 4.41Å; L30-I39 HydrophobicContact CG-CG2 4.46Å; V35-I39 WeakPolarHBondContact O-CG1 3.4Å; V35-I39 PolarHBondContact O-N 2.81Å; E36-I39 PolarHBondContact O-N 2.95Å; I39-A41 VanDerWaalsContact C-N 3.31Å; I39-A41 PolarHBondContact O-N 2.95Å; I39-F42 PolarHBondContact O-N 3.21Å; I39-I43 HydrophobicContact CG2-CD1 3.88Å; I39-I43 WeakPolarHBondContact O-CG1 3.46Å; I39-I43 PolarHBondContact O-N 3.23Å; I39-I43 VanDerWaalsContact O-N 3.07Å; I39-V59 HydrophobicContact CB-CG1 4.42Å; I39-V59 HydrophobicContact CB-CG2 4.46Å; I39-V59 HydrophobicContact CG2-CG1 4.19Å; I39-V59 HydrophobicContact CG2-CG2 4.03Å
40A98.8Very high98Very high12 Ų1274.7 Ų74.710%0.09936%0.364CS..Hα-helixtrans-58.7-43.4178.500000112E36 F42 I43 K44 C57 V59E36-A40 WeakPolarHBondContact O-CB 3.28Å; E36-A40 PolarHBondContact O-N 2.91Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 3.07Å; A40-I43 PolarHBondContact O-N 3.39Å; A40-K44 VanDerWaalsContact O-CB 3.27Å; A40-K44 WeakPolarHBondContact O-CB 3.31Å; A40-K44 PolarHBondContact O-N 3.43Å; A40-C57 HydrophobicContact CB-CB 4.24Å; A40-C57 WeakPolarHBondContact O-CB 3.44Å; A40-V59 HydrophobicContact CB-CB 4.21Å; A40-V59 HydrophobicContact CB-CG2 3.7Å
41A98.8Very high98.1Very high38 Ų3874.8 Ų74.831%0.31436%0.361SS..Hα-helixtrans-64.7-37178.800000112.7K37 D38 I39 K45K37-A41 VanDerWaalsContact O-CB 3.3Å; K37-A41 WeakPolarHBondContact O-CB 3.4Å; K37-A41 PolarHBondContact O-N 2.92Å; D38-A41 PolarHBondContact O-N 2.81Å; I39-A41 VanDerWaalsContact C-N 3.31Å; I39-A41 PolarHBondContact O-N 2.95Å; A41-K45 WeakPolarHBondContact O-CB 3.43Å; A41-K45 VanDerWaalsContact O-CG 3.27Å; A41-K45 WeakPolarHBondContact O-CG 3.39Å; A41-K45 PolarHBondContact O-N 2.87Å; A41-K45 VanDerWaalsContact O-N 3.12Å
42F98.9Very high98.3Very high28 Ų2873.4 Ų73.412%0.12336%0.359CS..Hα-helixtrans-64.2-53175.2178.5-90000111.2Q28 A29 K32 Y33 D38 I39 A40 K44 K45 E46Q28-F42 HydrophobicContact CB-CE1 4.31Å; A29-F42 HydrophobicContact CB-CB 4.33Å; A29-F42 HydrophobicContact CB-CD1 3.57Å; A29-F42 HydrophobicContact CB-CE1 4.25Å; A29-F42 HydrophobicContact CB-CG 4.23Å; K32-F42 HydrophobicContact CD-CE2 4.46Å; Y33-F42 HydrophobicContact CD2-CB 4.17Å; Y33-F42 HydrophobicContact CD2-CG 4.48Å; Y33-F42 HydrophobicContact CE2-CB 3.69Å; Y33-F42 AromaticContact CE2-CD2 3.64Å; Y33-F42 HydrophobicContact CE2-CD2 3.64Å; Y33-F42 HydrophobicContact CE2-CE2 4.49Å; Y33-F42 AromaticContact CE2-CG 3.78Å; Y33-F42 HydrophobicContact CE2-CG 3.78Å; D38-F42 PolarHBondContact O-N 2.9Å; I39-F42 PolarHBondContact O-N 3.21Å; A40-F42 VanDerWaalsContact C-N 3.35Å; A40-F42 PolarHBondContact O-N 3.07Å; F42-K44 PolarHBondContact O-N 3.2Å; F42-K45 PolarHBondContact O-N 3.37Å; F42-E46 HydrophobicContact CD1-CG 4.39Å; F42-E46 HydrophobicContact CE1-CG 3.98Å; F42-E46 HydrophobicContact CE2-CG 4.27Å; F42-E46 HydrophobicContact CZ-CG 3.9Å; F42-E46 PolarHBondContact O-N 3.07Å
43I98.9Very high98.3Very high1 Ų171.2 Ų71.21%0.00536%0.357CS..Hα-helixtrans-59.3-48.5-178.1-61.6165.1000110.3A26 A29 I39 A40 K45 E46 F47 V59 I84 L86A26-I43 HydrophobicContact CB-CD1 3.83Å; A29-I43 HydrophobicContact CB-CD1 4.21Å; A29-I43 HydrophobicContact CB-CG1 3.87Å; I39-I43 HydrophobicContact CG2-CD1 3.88Å; I39-I43 WeakPolarHBondContact O-CG1 3.46Å; I39-I43 PolarHBondContact O-N 3.23Å; I39-I43 VanDerWaalsContact O-N 3.07Å; A40-I43 PolarHBondContact O-N 3.39Å; I43-K45 PolarHBondContact O-N 3.15Å; I43-E46 PolarHBondContact O-N 3.39Å; I43-F47 HydrophobicContact CG2-CD2 4.2Å; I43-F47 WeakPolarHBondContact O-CB 3.32Å; I43-F47 PolarHBondContact O-N 2.89Å; I43-V59 HydrophobicContact CD1-CG2 4.39Å; I43-I84 HydrophobicContact CD1-CG2 4.16Å; I43-L86 HydrophobicContact CG2-CD1 3.96Å; I43-L86 HydrophobicContact CG2-CD2 3.79Å; I43-L86 HydrophobicContact CG2-CG 4.42Å
44K98.9Very high98.4Very high67 Ų6769.3 Ų69.329%0.29136%0.355SS..Hα-helixtrans-53.1-50.6176.1-175.1-157.4-179-62.10111.8A40 F42 F47 D48 W55 C57A40-K44 VanDerWaalsContact O-CB 3.27Å; A40-K44 WeakPolarHBondContact O-CB 3.31Å; A40-K44 PolarHBondContact O-N 3.43Å; F42-K44 PolarHBondContact O-N 3.2Å; K44-F47 PolarHBondContact O-N 2.65Å; K44-D48 IonicContact NZ-OD1 3.93Å; K44-D48 IonicContact NZ-OD2 2.59Å; K44-D48 PolarHBondContact NZ-OD2 2.81Å; K44-D48 WeakPolarHBondContact O-CB 3.46Å; K44-D48 PolarHBondContact O-N 2.47Å; K44-W55 WeakPolarHBondContact CE-O 3.2Å; K44-W55 HydrophobicContact CG-CB 4.41Å; K44-W55 VanDerWaalsContact CG-O 3.23Å; K44-W55 WeakPolarHBondContact CG-O 3.25Å; K44-W55 PolarHBondContact NZ-O 3.35Å; K44-C57 HydrophobicContact CB-CB 4.09Å
45K98.8Very high98.6Very high143 Ų14363.6 Ų63.662%0.62232%0.315SS*.Hα-helixtrans-64.2-42-176.8-80.1176.7178.7-179.60112.4A41 F42 I43 K49A41-K45 WeakPolarHBondContact O-CB 3.43Å; A41-K45 VanDerWaalsContact O-CG 3.27Å; A41-K45 WeakPolarHBondContact O-CG 3.39Å; A41-K45 PolarHBondContact O-N 2.87Å; A41-K45 VanDerWaalsContact O-N 3.12Å; F42-K45 PolarHBondContact O-N 3.37Å; I43-K45 PolarHBondContact O-N 3.15Å; K45-K49 WeakPolarHBondContact O-CB 3.16Å; K45-K49 PolarHBondContact O-N 3.41Å
46E98.8Very high98.6Very high79 Ų7963.4 Ų63.437%0.36931%0.309SS..Hα-helixtrans-66.8-39.3177.8-71.5-58.1123.900111.4F42 I43 K49 K50F42-E46 HydrophobicContact CD1-CG 4.39Å; F42-E46 HydrophobicContact CE1-CG 3.98Å; F42-E46 HydrophobicContact CE2-CG 4.27Å; F42-E46 HydrophobicContact CZ-CG 3.9Å; F42-E46 PolarHBondContact O-N 3.07Å; I43-E46 PolarHBondContact O-N 3.39Å; E46-K49 PolarHBondContact O-N 2.99Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 PolarHBondContact O-N 3.49Å
47F98.8Very high98.7Very high5 Ų560.6 Ų60.62%0.02230%0.299CS..Hα-helixtrans-69.8-40.6176.2-93.4-107.9000113.1M18 D21 A22 C25 I43 K44 K49 K50 Y51 W55 L86M18-F47 HydrophobicContact CG-CE1 4.1Å; D21-F47 HydrophobicContact CB-CZ 4.23Å; A22-F47 VanDerWaalsContact CA-CZ 3.41Å; A22-F47 HydrophobicContact CB-CE1 4.34Å; A22-F47 HydrophobicContact CB-CE2 4.21Å; A22-F47 HydrophobicContact CB-CZ 3.59Å; C25-F47 HydrophobicContact CB-CE2 3.98Å; I43-F47 HydrophobicContact CG2-CD2 4.2Å; I43-F47 WeakPolarHBondContact O-CB 3.32Å; I43-F47 PolarHBondContact O-N 2.89Å; K44-F47 PolarHBondContact O-N 2.65Å; F47-K49 VanDerWaalsContact C-N 3.25Å; F47-K49 PolarHBondContact O-N 2.91Å; F47-K50 PolarHBondContact O-N 3.49Å; F47-Y51 AromaticContact CD1-CD2 3.62Å; F47-Y51 HydrophobicContact CD1-CD2 3.62Å; F47-Y51 HydrophobicContact CD1-CE2 4.19Å; F47-Y51 AromaticContact CE1-CD2 3.74Å; F47-Y51 HydrophobicContact CE1-CD2 3.74Å; F47-Y51 AromaticContact CE1-CE2 3.84Å; F47-Y51 HydrophobicContact CE1-CE2 3.84Å; F47-Y51 HydrophobicContact CG-CD2 4.21Å; F47-Y51 HydrophobicContact CZ-CD2 4.38Å; F47-Y51 HydrophobicContact CZ-CE2 4.14Å; F47-Y51 WeakPolarHBondContact O-CA 3.26Å; F47-Y51 WeakPolarHBondContact O-CB 3.27Å; F47-Y51 PolarHBondContact O-N 3.23Å; F47-W55 VanDerWaalsContact C-CD1 3.46Å; F47-W55 HydrophobicContact CB-CB 4.16Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.3Å; F47-W55 HydrophobicContact CB-CG 3.68Å; F47-W55 AromaticContact CD1-CD2 3.8Å; F47-W55 HydrophobicContact CD1-CD2 3.8Å; F47-W55 AromaticContact CD1-CE2 3.75Å; F47-W55 AromaticContact CD1-CE3 3.75Å; F47-W55 HydrophobicContact CD1-CE3 3.75Å; F47-W55 AromaticContact CD1-CH2 3.62Å; F47-W55 HydrophobicContact CD1-CH2 3.62Å; F47-W55 AromaticContact CD1-CZ2 3.67Å; F47-W55 HydrophobicContact CD1-CZ2 3.67Å; F47-W55 AromaticContact CD1-CZ3 3.67Å; F47-W55 HydrophobicContact CD1-CZ3 3.67Å; F47-W55 AromaticContact CE1-CH2 3.97Å; F47-W55 HydrophobicContact CE1-CH2 3.97Å; F47-W55 HydrophobicContact CE1-CZ2 4.32Å; F47-W55 HydrophobicContact CE1-CZ3 4.13Å; F47-W55 HydrophobicContact CG-CD2 4.25Å; F47-W55 HydrophobicContact CG-CE3 4.39Å; F47-W55 PolarHBondContact O-NE1 3.38Å; F47-L86 HydrophobicContact CD1-CD2 3.65Å; F47-L86 HydrophobicContact CD1-CG 4.38Å; F47-L86 HydrophobicContact CD2-CD2 3.86Å; F47-L86 HydrophobicContact CE1-CD2 3.59Å; F47-L86 HydrophobicContact CE2-CD2 3.82Å; F47-L86 HydrophobicContact CG-CD1 4.41Å; F47-L86 HydrophobicContact CG-CD2 3.79Å; F47-L86 HydrophobicContact CZ-CD2 3.7Å
48D98.7Very high98.7Very high27 Ų2756.9 Ų56.914%0.14429%0.285CS..Hα-helixtrans-56.4-43170.6-78.9-24.7000111.4K44 N52 P53 W55K44-D48 IonicContact NZ-OD1 3.93Å; K44-D48 IonicContact NZ-OD2 2.59Å; K44-D48 PolarHBondContact NZ-OD2 2.81Å; K44-D48 WeakPolarHBondContact O-CB 3.46Å; K44-D48 PolarHBondContact O-N 2.47Å; D48-N52 CarbonylContact O-C 3.39Å; D48-N52 WeakPolarHBondContact O-CA 3.47Å; D48-N52 PolarHBondContact O-N 3.37Å; D48-N52 VanDerWaalsContact O-N 3.14Å; D48-P53 HydrophobicContact CB-CG 4.16Å; D48-P53 WeakPolarHBondContact O-CD 3.09Å; D48-P53 WeakPolarHBondContact OD1-CA 3.38Å; D48-W55 WeakPolarHBondContact OD1-CB 3.46Å; D48-W55 PolarHBondContact OD1-N 2.98Å
49K98.7Very high98.7Very high165 Ų16554.9 Ų54.972%0.71728%0.275SS*.Hα-helixtrans-69.6-42.5-179.2-176.9-176.8175.2-169.60112.5K45 E46 F47K45-K49 WeakPolarHBondContact O-CB 3.16Å; K45-K49 PolarHBondContact O-N 3.41Å; E46-K49 PolarHBondContact O-N 2.99Å; F47-K49 VanDerWaalsContact C-N 3.25Å; F47-K49 PolarHBondContact O-N 2.91Å
50K98.6Very high98.7Very high123 Ų12354.9 Ų54.954%0.53528%0.276SS..Hα-helixtrans-83.4-37.2-175.1-171.5171.7-176.51770112.9D21 E46 F47D21-K50 IonicContact OD1-NZ 2.91Å; D21-K50 PolarHBondContact OD1-NZ 2.94Å; D21-K50 VanDerWaalsContact OD2-CE 3.26Å; D21-K50 WeakPolarHBondContact OD2-CE 3.44Å; D21-K50 IonicContact OD2-NZ 2.65Å; D21-K50 PolarHBondContact OD2-NZ 2.94Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 PolarHBondContact O-N 3.49Å; F47-K50 PolarHBondContact O-N 3.49Å
51Y98.5Very high98.5Very high48 Ų4862.3 Ų62.319%0.18830%0.302CS..Hα-helixtrans-119.512.9-168.1-66.7-63.8000114.5M18 D21 F47 W55 K88M18-Y51 HydrophobicContact CE-CD1 3.71Å; M18-Y51 HydrophobicContact CE-CE1 3.66Å; M18-Y51 HydrophobicContact CE-CG 4.26Å; M18-Y51 HydrophobicContact CG-CE1 4.4Å; M18-Y51 HydrophobicContact CG-CE2 4Å; D21-Y51 HydrophobicContact CB-CE2 4.42Å; D21-Y51 PolarHBondContact OD2-OH 2.99Å; F47-Y51 AromaticContact CD1-CD2 3.62Å; F47-Y51 HydrophobicContact CD1-CD2 3.62Å; F47-Y51 HydrophobicContact CD1-CE2 4.19Å; F47-Y51 AromaticContact CE1-CD2 3.74Å; F47-Y51 HydrophobicContact CE1-CD2 3.74Å; F47-Y51 AromaticContact CE1-CE2 3.84Å; F47-Y51 HydrophobicContact CE1-CE2 3.84Å; F47-Y51 HydrophobicContact CG-CD2 4.21Å; F47-Y51 HydrophobicContact CZ-CD2 4.38Å; F47-Y51 HydrophobicContact CZ-CE2 4.14Å; F47-Y51 WeakPolarHBondContact O-CA 3.26Å; F47-Y51 WeakPolarHBondContact O-CB 3.27Å; F47-Y51 PolarHBondContact O-N 3.23Å; Y51-W55 HydrophobicContact CD2-CZ2 4.39Å; Y51-W55 HydrophobicContact CG-CZ2 4.19Å; Y51-K88 PolarHBondContact O-NZ 2.99Å
52N98.1Very high98.4Very high113 Ų11368 Ų6860%0.60433%0.327SS*.  trans64143.4-174.3-51.8-71.2000113.3D48 W55 K88D48-N52 CarbonylContact O-C 3.39Å; D48-N52 WeakPolarHBondContact O-CA 3.47Å; D48-N52 PolarHBondContact O-N 3.37Å; D48-N52 VanDerWaalsContact O-N 3.14Å; N52-W55 VanDerWaalsContact O-CD1 3.28Å; N52-W55 PolarHBondContact O-NE1 3.02Å; N52-W55 VanDerWaalsContact O-NE1 3.1Å; N52-K88 PolarHBondContact O-NZ 3.26Å
53P98.4Very high98.3Very high78 Ų7869.2 Ų69.251%0.50633%0.332SS..SBendtrans-59.1161.9175.1-21.732.9000113.8D48 K88D48-P53 HydrophobicContact CB-CG 4.16Å; D48-P53 WeakPolarHBondContact O-CD 3.09Å; D48-P53 WeakPolarHBondContact OD1-CA 3.38Å; P53-K88 WeakPolarHBondContact O-CE 3.17Å; P53-K88 PolarHBondContact O-NZ 3.12Å; P53-K88 VanDerWaalsContact O-NZ 3.12Å
54T98.2Very high98.2Very high54 Ų5472.9 Ų72.933%0.33137%0.37SS..  cis-113.2111.93.7-55.30000112.1K88 S89T54-K88 WeakPolarHBondContact O-CA 3.38Å; T54-K88 WeakPolarHBondContact O-CG 3.1Å; T54-S89 PolarHBondContact O-N 3.14Å
55W98.8Very high98.1Very high0 Ų072.5 Ų72.50%038%0.376CS..EExtended strand (participates in β ladder)trans-86.4149.5172.6-67.782.8000111.7M14 M18 K44 F47 D48 Y51 N52 H73 L86 F87 K88M14-W55 HydrophobicContact CE-CH2 3.85Å; M14-W55 HydrophobicContact CE-CZ3 3.98Å; M18-W55 HydrophobicContact SD-CH2 3.75Å; M18-W55 HydrophobicContact SD-CZ2 4.18Å; K44-W55 WeakPolarHBondContact CE-O 3.2Å; K44-W55 HydrophobicContact CG-CB 4.41Å; K44-W55 VanDerWaalsContact CG-O 3.23Å; K44-W55 WeakPolarHBondContact CG-O 3.25Å; K44-W55 PolarHBondContact NZ-O 3.35Å; F47-W55 VanDerWaalsContact C-CD1 3.46Å; F47-W55 HydrophobicContact CB-CB 4.16Å; F47-W55 HydrophobicContact CB-CD2 3.76Å; F47-W55 HydrophobicContact CB-CE3 4.3Å; F47-W55 HydrophobicContact CB-CG 3.68Å; F47-W55 AromaticContact CD1-CD2 3.8Å; F47-W55 HydrophobicContact CD1-CD2 3.8Å; F47-W55 AromaticContact CD1-CE2 3.75Å; F47-W55 AromaticContact CD1-CE3 3.75Å; F47-W55 HydrophobicContact CD1-CE3 3.75Å; F47-W55 AromaticContact CD1-CH2 3.62Å; F47-W55 HydrophobicContact CD1-CH2 3.62Å; F47-W55 AromaticContact CD1-CZ2 3.67Å; F47-W55 HydrophobicContact CD1-CZ2 3.67Å; F47-W55 AromaticContact CD1-CZ3 3.67Å; F47-W55 HydrophobicContact CD1-CZ3 3.67Å; F47-W55 AromaticContact CE1-CH2 3.97Å; F47-W55 HydrophobicContact CE1-CH2 3.97Å; F47-W55 HydrophobicContact CE1-CZ2 4.32Å; F47-W55 HydrophobicContact CE1-CZ3 4.13Å; F47-W55 HydrophobicContact CG-CD2 4.25Å; F47-W55 HydrophobicContact CG-CE3 4.39Å; F47-W55 PolarHBondContact O-NE1 3.38Å; D48-W55 WeakPolarHBondContact OD1-CB 3.46Å; D48-W55 PolarHBondContact OD1-N 2.98Å; Y51-W55 HydrophobicContact CD2-CZ2 4.39Å; Y51-W55 HydrophobicContact CG-CZ2 4.19Å; N52-W55 VanDerWaalsContact O-CD1 3.28Å; N52-W55 PolarHBondContact O-NE1 3.02Å; N52-W55 VanDerWaalsContact O-NE1 3.1Å; W55-H73 HydrophobicContact CH2-CB 3.91Å; W55-H73 AromaticContact CH2-CD2 3.9Å; W55-H73 HydrophobicContact CZ2-CB 4.39Å; W55-H73 AromaticContact CZ2-CD2 3.69Å; W55-H73 HydrophobicContact CZ3-CB 4.35Å; W55-L86 HydrophobicContact CB-CD1 4.46Å; W55-L86 HydrophobicContact CE3-CD1 3.75Å; W55-L86 HydrophobicContact CE3-CD2 4.41Å; W55-L86 HydrophobicContact CE3-CG 3.75Å; W55-L86 HydrophobicContact CZ3-CD1 4.45Å; W55-L86 HydrophobicContact CZ3-CD2 4.38Å; W55-L86 HydrophobicContact CZ3-CG 3.94Å; W55-F87 CarbonylContact C-O 3.53Å; W55-F87 WeakPolarHBondContact CA-O 3.44Å; W55-K88 HydrophobicContact CD2-CB 4.1Å; W55-K88 HydrophobicContact CD2-CG 4.42Å; W55-K88 HydrophobicContact CE3-CB 4.19Å; W55-K88 HydrophobicContact CZ2-CB 4.43Å; W55-K88 HydrophobicContact CZ2-CD 4.42Å; W55-K88 HydrophobicContact CZ3-CB 4.4Å
56H98.8Very high98Very high66 Ų6676.5 Ų76.531%0.30639%0.389SS..EExtended strand (participates in β ladder)trans-126.9136.7174.7-58.2-86.7000107.9L86 F87 S89H56-L86 WeakPolarHBondContact O-CA 3.07Å; H56-L86 WeakPolarHBondContact O-CD1 3.48Å; H56-F87 HydrophobicContact CB-CD1 4.05Å; H56-F87 HydrophobicContact CB-CD2 4.31Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.86Å; H56-F87 HydrophobicContact CB-CG 4.4Å; H56-F87 HydrophobicContact CB-CZ 3.46Å; H56-F87 VanDerWaalsContact CB-CZ 3.46Å; H56-F87 AromaticContact CD2-CE2 3.78Å; H56-F87 AromaticContact CG-CE2 3.95Å; H56-F87 AromaticContact CG-CZ 3.89Å; H56-F87 PolarHBondContact N-O 2.59Å; H56-F87 PolarHBondContact O-N 3.35Å; H56-S89 PolarHBondContact NE2-O 3.1Å
57C98.9Very high97.9Very high21 Ų2174.9 Ų74.914%0.14238%0.384CS..EExtended strand (participates in β ladder)trans-132.6133.3179.4-167.60000109.7A40 K44 L85 L86A40-C57 HydrophobicContact CB-CB 4.24Å; A40-C57 WeakPolarHBondContact O-CB 3.44Å; K44-C57 HydrophobicContact CB-CB 4.09Å; C57-L85 CarbonylContact C-O 3.59Å; C57-L85 VanDerWaalsContact CA-O 3.31Å; C57-L85 WeakPolarHBondContact CA-O 3.23Å; C57-L86 HydrophobicContact CB-CD1 3.99Å
58I98.7Very high97.8Very high65 Ų6580.1 Ų80.133%0.33342%0.417SS..EExtended strand (participates in β ladder)trans-121.3132.7172-58.9176.2000107.1F63 I84 L85I58-F63 HydrophobicContact CB-CZ 4.48Å; I58-F63 HydrophobicContact CG2-CD1 4.28Å; I58-F63 HydrophobicContact CG2-CD2 4.14Å; I58-F63 HydrophobicContact CG2-CE1 4.05Å; I58-F63 HydrophobicContact CG2-CE2 3.93Å; I58-F63 HydrophobicContact CG2-CG 4.31Å; I58-F63 HydrophobicContact CG2-CZ 3.88Å; I58-I84 WeakPolarHBondContact O-CA 3.35Å; I58-L85 HydrophobicContact CB-CB 4.27Å; I58-L85 HydrophobicContact CD1-CD2 4.16Å; I58-L85 PolarHBondContact N-O 2.95Å; I58-L85 PolarHBondContact O-N 2.87Å
59V98.7Very high97.8Very high14 Ų1482 Ų829%0.08542%0.424CS..EExtended strand (participates in β ladder)trans-128.8130.8177.41790000106.9E36 I39 A40 I43 V82 A83 I84E36-V59 HydrophobicContact CB-CB 4.32Å; E36-V59 HydrophobicContact CB-CG1 4.16Å; E36-V59 HydrophobicContact CG-CG1 4.24Å; I39-V59 HydrophobicContact CB-CG1 4.42Å; I39-V59 HydrophobicContact CB-CG2 4.46Å; I39-V59 HydrophobicContact CG2-CG1 4.19Å; I39-V59 HydrophobicContact CG2-CG2 4.03Å; A40-V59 HydrophobicContact CB-CB 4.21Å; A40-V59 HydrophobicContact CB-CG2 3.7Å; I43-V59 HydrophobicContact CD1-CG2 4.39Å; V59-V82 HydrophobicContact CG1-CG1 3.43Å; V59-V82 VanDerWaalsContact CG1-CG1 3.43Å; V59-A83 WeakPolarHBondContact CA-O 3.27Å; V59-I84 HydrophobicContact CG1-CG1 4.44Å; V59-I84 HydrophobicContact CG2-CG1 4.18Å; V59-I84 HydrophobicContact CG2-CG2 4.5Å
60G98Very high97.8Very high6 Ų677 Ų776%0.06240%0.404CS..EExtended strand (participates in β ladder)trans-174.7153.3-177.700000113.8E36 A83E36-G60 WeakPolarHBondContact OE1-CA 3.5Å; G60-A83 PolarHBondContact N-O 3.32Å; G60-A83 WeakPolarHBondContact O-CB 3.34Å; G60-A83 PolarHBondContact O-N 3.35Å
61R96.4Very high97.7Very high168 Ų16876.3 Ų76.363%0.63441%0.41SS*.SBendtrans-82.1-22.5173.5-63.7179.1-178.6175.61.1113.8E36 V82E36-R61 PolarHBondContact OE1-N 3.18Å; R61-V82 HydrophobicContact CG-CG2 4.3Å
62N95.2Very high97.7Very high158 Ų15880.8 Ų80.885%0.84543%0.431SS*.SBendtrans-151.7106.1179.8-173.24.3000110.8
63F97.3Very high97.7Very high52 Ų5277.5 Ų77.523%0.22841%0.411CS..  trans-155.7156.2171.765.6-90.3000110.9I58 Y76 A83 L85I58-F63 HydrophobicContact CB-CZ 4.48Å; I58-F63 HydrophobicContact CG2-CD1 4.28Å; I58-F63 HydrophobicContact CG2-CD2 4.14Å; I58-F63 HydrophobicContact CG2-CE1 4.05Å; I58-F63 HydrophobicContact CG2-CE2 3.93Å; I58-F63 HydrophobicContact CG2-CG 4.31Å; I58-F63 HydrophobicContact CG2-CZ 3.88Å; F63-Y76 HydrophobicContact CE2-CE2 4.36Å; F63-Y76 HydrophobicContact CZ-CE2 4.01Å; F63-A83 HydrophobicContact CE1-CB 3.69Å; F63-A83 HydrophobicContact CZ-CB 4.02Å; F63-L85 HydrophobicContact CE2-CB 4.2Å; F63-L85 HydrophobicContact CE2-CD2 4.36Å; F63-L85 HydrophobicContact CZ-CB 4.12Å
64G96.7Very high97.7Very high79 Ų7974.9 Ų74.981%0.81439%0.392SS*.  trans-115.8147.3161.200000109.2
65S96.1Very high97.8Very high58 Ų5872.3 Ų72.341%0.40638%0.376SS..  trans-139.8144.6179.964.80000111.1L85S65-L85 WeakPolarHBondContact OG-CD2 3.44Å
66Y97.2Very high97.8Very high227 Ų22774.8 Ų74.889%0.8939%0.386SS*.  trans-127.2108.1167.4-165.8-84.5000107.7
67V97Very high97.8Very high45 Ų4571.7 Ų71.727%0.27337%0.372SS..  trans-131.3146.2-172.5-590000110.8F74 L85 F87V67-F74 HydrophobicContact CG2-CE2 3.99Å; V67-L85 HydrophobicContact CG2-CD2 4.4Å; V67-F87 HydrophobicContact CB-CE1 4.23Å; V67-F87 HydrophobicContact CB-CE2 4.01Å; V67-F87 HydrophobicContact CB-CZ 3.85Å; V67-F87 HydrophobicContact CG1-CE1 3.99Å; V67-F87 HydrophobicContact CG1-CE2 4.41Å; V67-F87 HydrophobicContact CG1-CZ 3.76Å; V67-F87 HydrophobicContact CG2-CD1 4.15Å; V67-F87 HydrophobicContact CG2-CD2 4.32Å; V67-F87 HydrophobicContact CG2-CE1 4.1Å; V67-F87 HydrophobicContact CG2-CE2 4.27Å; V67-F87 HydrophobicContact CG2-CG 4.26Å; V67-F87 HydrophobicContact CG2-CZ 4.16Å
68T97.7Very high97.7Very high116 Ų11674 Ų7471%0.71238%0.378SS*.  trans-94.4140.2166.2-54.90000108.3
69H98Very high97.6Very high65 Ų6571 Ų7130%0.30136%0.363SS..  trans-138.1157.7-178.958.2-83.9000110.9F74 F87 K88H69-F74 HydrophobicContact CB-CB 4.31Å; H69-F74 HydrophobicContact CB-CD2 4.17Å; H69-F74 WeakPolarHBondContact CD2-CB 3.27Å; H69-F74 AromaticContact CD2-CG 3.91Å; H69-F74 AromaticContact CE1-CD2 3.74Å; H69-F74 AromaticContact CE1-CG 3.86Å; H69-F74 AromaticContact CG-CD2 3.66Å; H69-F74 AromaticContact ND1-CD2 3.46Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.42Å; H69-F74 AromaticContact ND1-CG 3.98Å; H69-F74 AromaticContact NE2-CG 3.81Å; H69-F87 HydrophobicContact CB-CB 3.93Å; H69-F87 HydrophobicContact CB-CD2 3.97Å; H69-F87 HydrophobicContact CB-CG 4.36Å; H69-K88 CarbonylContact C-O 2.86Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.45Å
70E98Very high97.3Very high62 Ų6272.7 Ų72.729%0.2938%0.383SS..  trans-68.4140.8169.4-69.9167-133.100110.8K72 H73 K88 S89 G90E70-K72 PolarHBondContact O-N 2.98Å; E70-H73 PolarHBondContact O-N 3.47Å; E70-K88 HydrophobicContact CB-CB 4.49Å; E70-K88 PolarHBondContact N-O 2.77Å; E70-K88 WeakPolarHBondContact OE1-CG 3.24Å; E70-K88 WeakPolarHBondContact OE2-CD 3.43Å; E70-K88 VanDerWaalsContact OE2-CE 3.24Å; E70-K88 WeakPolarHBondContact OE2-CE 3.49Å; E70-S89 WeakPolarHBondContact OE1-CA 3.27Å; E70-G90 PolarHBondContact OE1-N 3.41Å; E70-G90 VanDerWaalsContact OE1-N 3.1Å
71T97.6Very high97.1Very high108 Ų10877.1 Ų77.166%0.66341%0.405SS*.THydrogen-bonded Turntrans-53.2139.5177.6-40.90000110.8H73T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 2.96Å; T71-H73 PolarHBondContact O-ND1 2.91Å
72K98.2Very high97.1Very high142 Ų14269.8 Ų69.862%0.61738%0.379SS*.THydrogen-bonded Turntrans65.317.9179.7-52.8-172.6177.3179.60115.6D13 M14 E70D13-K72 VanDerWaalsContact CG-N 3.34Å; D13-K72 CarbonylContact O-C 3.55Å; D13-K72 WeakPolarHBondContact O-CA 3.39Å; D13-K72 PolarHBondContact OD1-N 2.77Å; D13-K72 PolarHBondContact OD2-N 2.97Å; M14-K72 WeakPolarHBondContact CA-O 3.24Å; M14-K72 VanDerWaalsContact CB-O 3.27Å; M14-K72 WeakPolarHBondContact CB-O 3.34Å; E70-K72 PolarHBondContact O-N 2.98Å
73H98.6Very high97.3Very high44 Ų4462.3 Ų62.320%0.20434%0.339CS..  trans-135.148.1179.9-58.588.4000112.6D13 W55 E70 T71 F87 K88D13-H73 PolarHBondContact O-N 3.46Å; W55-H73 HydrophobicContact CH2-CB 3.91Å; W55-H73 AromaticContact CH2-CD2 3.9Å; W55-H73 HydrophobicContact CZ2-CB 4.39Å; W55-H73 AromaticContact CZ2-CD2 3.69Å; W55-H73 HydrophobicContact CZ3-CB 4.35Å; E70-H73 PolarHBondContact O-N 3.47Å; T71-H73 VanDerWaalsContact C-N 3.25Å; T71-H73 PolarHBondContact O-N 2.96Å; T71-H73 PolarHBondContact O-ND1 2.91Å; H73-F87 CarbonylContact O-C 3.45Å; H73-F87 WeakPolarHBondContact O-CA 3.3Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.31Å; H73-K88 PolarHBondContact O-N 3.12Å
74F98.7Very high97.3Very high23 Ų2359.9 Ų59.910%0.10133%0.328CS..EExtended strand (participates in β ladder)trans-139.3135.7177.1175.4-79.2000112.2N11 A12 D13 V67 H69 L85 F87N11-F74 HydrophobicContact CB-CE1 4.22Å; A12-F74 CarbonylContact C-O 3.59Å; A12-F74 WeakPolarHBondContact CA-O 3.38Å; D13-F74 CarbonylContact C-O 3.6Å; D13-F74 HydrophobicContact CB-CB 4.41Å; D13-F74 PolarHBondContact N-O 3.39Å; D13-F74 PolarHBondContact O-N 2.99Å; V67-F74 HydrophobicContact CG2-CE2 3.99Å; H69-F74 HydrophobicContact CB-CB 4.31Å; H69-F74 HydrophobicContact CB-CD2 4.17Å; H69-F74 WeakPolarHBondContact CD2-CB 3.27Å; H69-F74 AromaticContact CD2-CG 3.91Å; H69-F74 AromaticContact CE1-CD2 3.74Å; H69-F74 AromaticContact CE1-CG 3.86Å; H69-F74 AromaticContact CG-CD2 3.66Å; H69-F74 AromaticContact ND1-CD2 3.46Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.42Å; H69-F74 AromaticContact ND1-CG 3.98Å; H69-F74 AromaticContact NE2-CG 3.81Å; F74-L85 HydrophobicContact CD2-CD1 4.12Å; F74-L85 HydrophobicContact CE1-CD1 4.5Å; F74-L85 HydrophobicContact CE2-CD1 3.37Å; F74-L85 HydrophobicContact CZ-CD1 3.58Å; F74-F87 HydrophobicContact CB-CB 4.36Å; F74-F87 HydrophobicContact CD2-CB 3.69Å; F74-F87 HydrophobicContact CE2-CB 4.49Å; F74-F87 HydrophobicContact CG-CB 4.41Å
75I98.8Very high97.4Very high0 Ų056.1 Ų56.10%029%0.29CS..EExtended strand (participates in β ladder)trans-146.5140.1169.7-166.9-178.9000111.2V9 A12 M14 Q19 A22 F77 L86V9-I75 HydrophobicContact CG1-CG1 4.36Å; V9-I75 HydrophobicContact CG2-CD1 4.45Å; A12-I75 HydrophobicContact CB-CG1 4.05Å; M14-I75 HydrophobicContact CE-CB 4.2Å; M14-I75 HydrophobicContact CE-CG2 4.07Å; M14-I75 HydrophobicContact CG-CB 4.38Å; M14-I75 HydrophobicContact SD-CB 3.79Å; M14-I75 HydrophobicContact SD-CD1 4.31Å; M14-I75 HydrophobicContact SD-CG2 3.98Å; Q19-I75 HydrophobicContact CB-CD1 3.85Å; Q19-I75 HydrophobicContact CG-CD1 3.86Å; A22-I75 HydrophobicContact CB-CD1 4.21Å; A22-I75 HydrophobicContact CB-CG2 3.97Å; I75-F77 HydrophobicContact CD1-CD1 3.76Å; I75-F77 HydrophobicContact CD1-CE1 4.17Å; I75-F77 HydrophobicContact CG1-CD1 3.87Å; I75-F77 HydrophobicContact CG2-CD1 4.24Å; I75-F77 HydrophobicContact CG2-CE1 4.16Å; I75-L86 HydrophobicContact CG2-CB 3.86Å; I75-L86 HydrophobicContact CG2-CD2 4.31Å; I75-L86 HydrophobicContact CG2-CG 4.46Å; I75-L86 PolarHBondContact N-O 2.81Å; I75-L86 PolarHBondContact O-N 2.8Å
76Y98.7Very high97.6Very high51 Ų5153.4 Ų53.420%0.227%0.27CS..EExtended strand (participates in β ladder)trans-130.5119.2171.6176.8-123000109.9K10 N11 F63 Y78 A83 I84 L85K10-Y76 HydrophobicContact CB-CD1 3.56Å; K10-Y76 HydrophobicContact CB-CE1 3.87Å; K10-Y76 HydrophobicContact CB-CG 4.5Å; K10-Y76 HydrophobicContact CG-CD1 4.23Å; K10-Y76 HydrophobicContact CG-CE1 4.1Å; K10-Y76 PolarHBondContact N-O 2.8Å; N11-Y76 PolarHBondContact N-O 3.36Å; N11-Y76 VanDerWaalsContact N-O 3.13Å; N11-Y76 PolarHBondContact O-N 2.91Å; F63-Y76 HydrophobicContact CE2-CE2 4.36Å; F63-Y76 HydrophobicContact CZ-CE2 4.01Å; Y76-Y78 HydrophobicContact CE1-CE2 4.09Å; Y76-Y78 HydrophobicContact CE2-CE2 4.48Å; Y76-Y78 AromaticContact CZ-CE2 3.7Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.24Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.36Å; Y76-Y78 PolarHBondContact OH-OH 2.79Å; Y76-A83 HydrophobicContact CE2-CB 3.84Å; Y76-I84 WeakPolarHBondContact CA-O 3.49Å; Y76-I84 WeakPolarHBondContact CD2-O 3.43Å; Y76-L85 HydrophobicContact CD2-CB 3.99Å
77F98.5Very high97.7Very high1 Ų143.3 Ų43.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-146.9161.7-176.666.1-81.7000112.1A7 V8 V9 A22 V23 A26 I75 M79 I84A7-F77 HydrophobicContact CB-CD2 4.06Å; V8-F77 CarbonylContact O-C 3.5Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.49Å; V8-F77 WeakPolarHBondContact O-CB 3.31Å; V9-F77 HydrophobicContact CB-CB 4.4Å; V9-F77 HydrophobicContact CG2-CB 4.14Å; A22-F77 HydrophobicContact CB-CE1 4.24Å; V23-F77 HydrophobicContact CG2-CD2 4.31Å; V23-F77 HydrophobicContact CG2-CE2 4.16Å; V23-F77 HydrophobicContact CG2-CZ 4.43Å; A26-F77 HydrophobicContact CB-CE2 3.93Å; A26-F77 HydrophobicContact CB-CZ 3.66Å; I75-F77 HydrophobicContact CD1-CD1 3.76Å; I75-F77 HydrophobicContact CD1-CE1 4.17Å; I75-F77 HydrophobicContact CG1-CD1 3.87Å; I75-F77 HydrophobicContact CG2-CD1 4.24Å; I75-F77 HydrophobicContact CG2-CE1 4.16Å; F77-M79 HydrophobicContact CD2-CG 4.12Å; F77-M79 HydrophobicContact CE2-CE 4.04Å; F77-M79 HydrophobicContact CE2-CG 3.92Å; F77-M79 HydrophobicContact CE2-SD 4.1Å; F77-I84 HydrophobicContact CD1-CB 4.37Å; F77-I84 HydrophobicContact CD2-CD1 4.19Å; F77-I84 HydrophobicContact CE1-CB 3.99Å; F77-I84 HydrophobicContact CE1-CG2 3.75Å; F77-I84 HydrophobicContact CE2-CB 4.2Å; F77-I84 HydrophobicContact CE2-CD1 3.51Å; F77-I84 HydrophobicContact CE2-CG1 4.49Å; F77-I84 HydrophobicContact CZ-CB 3.91Å; F77-I84 HydrophobicContact CZ-CD1 3.83Å; F77-I84 HydrophobicContact CZ-CG1 4.47Å; F77-I84 HydrophobicContact CZ-CG2 3.79Å; F77-I84 PolarHBondContact N-O 3.04Å; F77-I84 PolarHBondContact O-N 3.38Å
78Y97.7Very high97.7Very high69 Ų6942.1 Ų42.127%0.27122%0.222SC..EExtended strand (participates in β ladder)trans-107.4142.2172.7-79.9-100.6000110.7A7 V8 K10 Y76 V82 A83A7-Y78 CarbonylContact C-O 3.5Å; A7-Y78 VanDerWaalsContact CA-O 3.28Å; A7-Y78 WeakPolarHBondContact CA-O 3.28Å; V8-Y78 PolarHBondContact N-O 2.9Å; V8-Y78 PolarHBondContact O-N 2.89Å; K10-Y78 HydrophobicContact CD-CD2 4.5Å; K10-Y78 HydrophobicContact CG-CD2 3.76Å; K10-Y78 HydrophobicContact CG-CE2 4.03Å; Y76-Y78 HydrophobicContact CE1-CE2 4.09Å; Y76-Y78 HydrophobicContact CE2-CE2 4.48Å; Y76-Y78 AromaticContact CZ-CE2 3.7Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.24Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.36Å; Y76-Y78 PolarHBondContact OH-OH 2.79Å; Y78-V82 CarbonylContact C-O 3.59Å; Y78-V82 WeakPolarHBondContact CA-O 3.33Å; Y78-A83 HydrophobicContact CD1-CB 3.95Å; Y78-A83 HydrophobicContact CD2-CB 4.39Å; Y78-A83 HydrophobicContact CE1-CB 3.55Å; Y78-A83 HydrophobicContact CE2-CB 4.03Å; Y78-A83 HydrophobicContact CG-CB 4.36Å
79M96.1Very high97.7Very high4 Ų438.9 Ų38.92%0.0220%0.204CC..EExtended strand (participates in β ladder)trans-122.3111.6161.4-76.5-173.416000108.3A7 V23 A26 A27 L30 F77 N81 V82 I84A7-M79 HydrophobicContact CB-CE 3.97Å; A7-M79 HydrophobicContact CB-CG 4.28Å; V23-M79 HydrophobicContact CB-CE 4.13Å; V23-M79 HydrophobicContact CG1-CE 3.51Å; V23-M79 WeakPolarHBondContact O-CE 3.44Å; A26-M79 HydrophobicContact CB-CE 4.37Å; A26-M79 HydrophobicContact CB-SD 3.94Å; A27-M79 HydrophobicContact CB-CE 4.12Å; A27-M79 HydrophobicContact CB-SD 4.48Å; L30-M79 HydrophobicContact CD1-CB 3.85Å; L30-M79 HydrophobicContact CD1-CG 4.4Å; L30-M79 HydrophobicContact CD1-SD 3.63Å; F77-M79 HydrophobicContact CD2-CG 4.12Å; F77-M79 HydrophobicContact CE2-CE 4.04Å; F77-M79 HydrophobicContact CE2-CG 3.92Å; F77-M79 HydrophobicContact CE2-SD 4.1Å; M79-N81 PolarHBondContact O-N 2.85Å; M79-V82 PolarHBondContact N-O 3.1Å; M79-V82 PolarHBondContact O-N 3.36Å; M79-V82 VanDerWaalsContact O-N 3.07Å; M79-I84 HydrophobicContact CB-CD1 4.33Å; M79-I84 HydrophobicContact CG-CD1 4.26Å; M79-I84 HydrophobicContact SD-CD1 4.3Å
80G94Very high97.5Very high49 Ų4941.2 Ų41.251%0.50525%0.246SC..THydrogen-bonded Turntrans58.7-119.9-167.500000111.3E4E4-G80 PolarHBondContact O-N 3.32Å
81N93.5Very high97.4Very high98 Ų9840.2 Ų40.252%0.52424%0.244SC..THydrogen-bonded Turntrans-101.37.4177.967.2-14.9000113.9M79M79-N81 PolarHBondContact O-N 2.85Å
82V96.4Very high97.4Very high15 Ų1536.6 Ų36.69%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-101.8124.5179.9-178.60000108.8V59 R61 Y78 M79 I84V59-V82 HydrophobicContact CG1-CG1 3.43Å; V59-V82 VanDerWaalsContact CG1-CG1 3.43Å; R61-V82 HydrophobicContact CG-CG2 4.3Å; Y78-V82 CarbonylContact C-O 3.59Å; Y78-V82 WeakPolarHBondContact CA-O 3.33Å; M79-V82 PolarHBondContact N-O 3.1Å; M79-V82 PolarHBondContact O-N 3.36Å; M79-V82 VanDerWaalsContact O-N 3.07Å; V82-I84 HydrophobicContact CG1-CG1 4.48Å
83A98.1Very high97.4Very high1 Ų130.8 Ų30.81%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-90.9137.8172.400000109.8V59 G60 F63 Y76 Y78V59-A83 WeakPolarHBondContact CA-O 3.27Å; G60-A83 PolarHBondContact N-O 3.32Å; G60-A83 WeakPolarHBondContact O-CB 3.34Å; G60-A83 PolarHBondContact O-N 3.35Å; F63-A83 HydrophobicContact CE1-CB 3.69Å; F63-A83 HydrophobicContact CZ-CB 4.02Å; Y76-A83 HydrophobicContact CE2-CB 3.84Å; Y78-A83 HydrophobicContact CD1-CB 3.95Å; Y78-A83 HydrophobicContact CD2-CB 4.39Å; Y78-A83 HydrophobicContact CE1-CB 3.55Å; Y78-A83 HydrophobicContact CE2-CB 4.03Å; Y78-A83 HydrophobicContact CG-CB 4.36Å
84I98.7Very high97.3Very high0 Ų030 Ų300%020%0.2CC..EExtended strand (participates in β ladder)trans-124.2121.7178-62.1139.6000107.4A26 I43 I58 V59 Y76 F77 M79 V82A26-I84 HydrophobicContact CB-CD1 3.73Å; I43-I84 HydrophobicContact CD1-CG2 4.16Å; I58-I84 WeakPolarHBondContact O-CA 3.35Å; V59-I84 HydrophobicContact CG1-CG1 4.44Å; V59-I84 HydrophobicContact CG2-CG1 4.18Å; V59-I84 HydrophobicContact CG2-CG2 4.5Å; Y76-I84 WeakPolarHBondContact CA-O 3.49Å; Y76-I84 WeakPolarHBondContact CD2-O 3.43Å; F77-I84 HydrophobicContact CD1-CB 4.37Å; F77-I84 HydrophobicContact CD2-CD1 4.19Å; F77-I84 HydrophobicContact CE1-CB 3.99Å; F77-I84 HydrophobicContact CE1-CG2 3.75Å; F77-I84 HydrophobicContact CE2-CB 4.2Å; F77-I84 HydrophobicContact CE2-CD1 3.51Å; F77-I84 HydrophobicContact CE2-CG1 4.49Å; F77-I84 HydrophobicContact CZ-CB 3.91Å; F77-I84 HydrophobicContact CZ-CD1 3.83Å; F77-I84 HydrophobicContact CZ-CG1 4.47Å; F77-I84 HydrophobicContact CZ-CG2 3.79Å; F77-I84 PolarHBondContact N-O 3.04Å; F77-I84 PolarHBondContact O-N 3.38Å; M79-I84 HydrophobicContact CB-CD1 4.33Å; M79-I84 HydrophobicContact CG-CD1 4.26Å; M79-I84 HydrophobicContact SD-CD1 4.3Å; V82-I84 HydrophobicContact CG1-CG1 4.48Å
85L98.9Very high97.2Very high1 Ų130.4 Ų30.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-113.3120171.7166.660.9000107.9C57 I58 F63 S65 V67 F74 Y76 F87C57-L85 CarbonylContact C-O 3.59Å; C57-L85 VanDerWaalsContact CA-O 3.31Å; C57-L85 WeakPolarHBondContact CA-O 3.23Å; I58-L85 HydrophobicContact CB-CB 4.27Å; I58-L85 HydrophobicContact CD1-CD2 4.16Å; I58-L85 PolarHBondContact N-O 2.95Å; I58-L85 PolarHBondContact O-N 2.87Å; F63-L85 HydrophobicContact CE2-CB 4.2Å; F63-L85 HydrophobicContact CE2-CD2 4.36Å; F63-L85 HydrophobicContact CZ-CB 4.12Å; S65-L85 WeakPolarHBondContact OG-CD2 3.44Å; V67-L85 HydrophobicContact CG2-CD2 4.4Å; F74-L85 HydrophobicContact CD2-CD1 4.12Å; F74-L85 HydrophobicContact CE1-CD1 4.5Å; F74-L85 HydrophobicContact CE2-CD1 3.37Å; F74-L85 HydrophobicContact CZ-CD1 3.58Å; Y76-L85 HydrophobicContact CD2-CB 3.99Å; L85-F87 HydrophobicContact CD1-CD1 4.14Å; L85-F87 HydrophobicContact CD2-CD1 4.4Å; L85-F87 HydrophobicContact CD2-CE1 4.38Å; L85-F87 HydrophobicContact CG-CD1 3.98Å; L85-F87 HydrophobicContact CG-CE1 4.35Å
86L98.9Very high97.1Very high0 Ų032.5 Ų32.50%022%0.22CC..EExtended strand (participates in β ladder)trans-128.8123.7-179.3176.766.1000108.8A22 I43 F47 W55 H56 C57 I75A22-L86 HydrophobicContact CB-CD2 3.96Å; I43-L86 HydrophobicContact CG2-CD1 3.96Å; I43-L86 HydrophobicContact CG2-CD2 3.79Å; I43-L86 HydrophobicContact CG2-CG 4.42Å; F47-L86 HydrophobicContact CD1-CD2 3.65Å; F47-L86 HydrophobicContact CD1-CG 4.38Å; F47-L86 HydrophobicContact CD2-CD2 3.86Å; F47-L86 HydrophobicContact CE1-CD2 3.59Å; F47-L86 HydrophobicContact CE2-CD2 3.82Å; F47-L86 HydrophobicContact CG-CD1 4.41Å; F47-L86 HydrophobicContact CG-CD2 3.79Å; F47-L86 HydrophobicContact CZ-CD2 3.7Å; W55-L86 HydrophobicContact CB-CD1 4.46Å; W55-L86 HydrophobicContact CE3-CD1 3.75Å; W55-L86 HydrophobicContact CE3-CD2 4.41Å; W55-L86 HydrophobicContact CE3-CG 3.75Å; W55-L86 HydrophobicContact CZ3-CD1 4.45Å; W55-L86 HydrophobicContact CZ3-CD2 4.38Å; W55-L86 HydrophobicContact CZ3-CG 3.94Å; H56-L86 WeakPolarHBondContact O-CA 3.07Å; H56-L86 WeakPolarHBondContact O-CD1 3.48Å; C57-L86 HydrophobicContact CB-CD1 3.99Å; I75-L86 HydrophobicContact CG2-CB 3.86Å; I75-L86 HydrophobicContact CG2-CD2 4.31Å; I75-L86 HydrophobicContact CG2-CG 4.46Å; I75-L86 PolarHBondContact N-O 2.81Å; I75-L86 PolarHBondContact O-N 2.8Å
87F98.8Very high97Very high16 Ų1631.1 Ų31.17%0.0722%0.221CC..EExtended strand (participates in β ladder)trans-150.5154.8-178.268.3-81.2000112.3W55 H56 V67 H69 H73 F74 L85W55-F87 CarbonylContact C-O 3.53Å; W55-F87 WeakPolarHBondContact CA-O 3.44Å; H56-F87 HydrophobicContact CB-CD1 4.05Å; H56-F87 HydrophobicContact CB-CD2 4.31Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.86Å; H56-F87 HydrophobicContact CB-CG 4.4Å; H56-F87 HydrophobicContact CB-CZ 3.46Å; H56-F87 VanDerWaalsContact CB-CZ 3.46Å; H56-F87 AromaticContact CD2-CE2 3.78Å; H56-F87 AromaticContact CG-CE2 3.95Å; H56-F87 AromaticContact CG-CZ 3.89Å; H56-F87 PolarHBondContact N-O 2.59Å; H56-F87 PolarHBondContact O-N 3.35Å; V67-F87 HydrophobicContact CB-CE1 4.23Å; V67-F87 HydrophobicContact CB-CE2 4.01Å; V67-F87 HydrophobicContact CB-CZ 3.85Å; V67-F87 HydrophobicContact CG1-CE1 3.99Å; V67-F87 HydrophobicContact CG1-CE2 4.41Å; V67-F87 HydrophobicContact CG1-CZ 3.76Å; V67-F87 HydrophobicContact CG2-CD1 4.15Å; V67-F87 HydrophobicContact CG2-CD2 4.32Å; V67-F87 HydrophobicContact CG2-CE1 4.1Å; V67-F87 HydrophobicContact CG2-CE2 4.27Å; V67-F87 HydrophobicContact CG2-CG 4.26Å; V67-F87 HydrophobicContact CG2-CZ 4.16Å; H69-F87 HydrophobicContact CB-CB 3.93Å; H69-F87 HydrophobicContact CB-CD2 3.97Å; H69-F87 HydrophobicContact CB-CG 4.36Å; H73-F87 CarbonylContact O-C 3.45Å; H73-F87 WeakPolarHBondContact O-CA 3.3Å; F74-F87 HydrophobicContact CB-CB 4.36Å; F74-F87 HydrophobicContact CD2-CB 3.69Å; F74-F87 HydrophobicContact CE2-CB 4.49Å; F74-F87 HydrophobicContact CG-CB 4.41Å; L85-F87 HydrophobicContact CD1-CD1 4.14Å; L85-F87 HydrophobicContact CD2-CD1 4.4Å; L85-F87 HydrophobicContact CD2-CE1 4.38Å; L85-F87 HydrophobicContact CG-CD1 3.98Å; L85-F87 HydrophobicContact CG-CE1 4.35Å
88K98.8Very high96.9Very high20 Ų2033.5 Ų33.59%0.08724%0.238CC..EExtended strand (participates in β ladder)trans-100.5135.8174.9-163.2179.4169153.30111Y51 N52 P53 T54 W55 H69 E70 H73Y51-K88 PolarHBondContact O-NZ 2.99Å; N52-K88 PolarHBondContact O-NZ 3.26Å; P53-K88 WeakPolarHBondContact O-CE 3.17Å; P53-K88 PolarHBondContact O-NZ 3.12Å; P53-K88 VanDerWaalsContact O-NZ 3.12Å; T54-K88 WeakPolarHBondContact O-CA 3.38Å; T54-K88 WeakPolarHBondContact O-CG 3.1Å; W55-K88 HydrophobicContact CD2-CB 4.1Å; W55-K88 HydrophobicContact CD2-CG 4.42Å; W55-K88 HydrophobicContact CE3-CB 4.19Å; W55-K88 HydrophobicContact CZ2-CB 4.43Å; W55-K88 HydrophobicContact CZ2-CD 4.42Å; W55-K88 HydrophobicContact CZ3-CB 4.4Å; H69-K88 CarbonylContact C-O 2.86Å; H69-K88 VanDerWaalsContact CA-O 3.27Å; H69-K88 WeakPolarHBondContact CA-O 3.45Å; E70-K88 HydrophobicContact CB-CB 4.49Å; E70-K88 PolarHBondContact N-O 2.77Å; E70-K88 WeakPolarHBondContact OE1-CG 3.24Å; E70-K88 WeakPolarHBondContact OE2-CD 3.43Å; E70-K88 VanDerWaalsContact OE2-CE 3.24Å; E70-K88 WeakPolarHBondContact OE2-CE 3.49Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.31Å; H73-K88 PolarHBondContact O-N 3.12Å
89S97.6Very high96.8Very high47 Ų4730.5 Ų30.533%0.32924%0.235SC..  trans-160.7112.7174.1175.60000109.3T54 H56 E70T54-S89 PolarHBondContact O-N 3.14Å; H56-S89 PolarHBondContact NE2-O 3.1Å; E70-S89 WeakPolarHBondContact OE1-CA 3.27Å
90G92.4Very high96.9Very high115 Ų11532.9 Ų32.9100%1.18626%0.255SS*.  trans177.30171.400000113.6E70E70-G90 PolarHBondContact OE1-N 3.41Å; E70-G90 VanDerWaalsContact OE1-N 3.1Å

Retrieved 90 of 90 residues in 31.1 ms (Link to these results)

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