G4VB00_SCHMA Loading...

Small ribosomal subunit protein mS29

AlphaFold DB , UniProt , Accession G4VB00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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
1M60.3Low85.4Confident126 Ų12669.9 Ų69.962%0.62139%0.392SS*.  0-15.20-68.6-159-135.100114.1S3 V4 I47 K51M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 2.73Å; M1-V4 VanDerWaalsContact O-CG2 3.3Å; M1-V4 WeakPolarHBondContact O-CG2 3.28Å; M1-I47 HydrophobicContact CB-CG2 3.93Å; M1-I47 HydrophobicContact CG-CG2 4.42Å; M1-I47 HydrophobicContact SD-CG2 3.66Å; M1-K51 HydrophobicContact CE-CD 4.04Å; M1-K51 HydrophobicContact CE-CG 3.5Å; M1-K51 HydrophobicContact SD-CD 4.05Å; M1-K51 WeakPolarHBondContact SD-CE 3.39Å; M1-K51 HydrophobicContact SD-CG 3.8Å
2S63.6Low86.3Confident102 Ų10269.2 Ų69.271%0.71339%0.392SS*.G310 helixtrans-66.6-29.6171.149.70000112.9V4 I5S2-V4 PolarHBondContact O-N 3.32Å; S2-V4 VanDerWaalsContact O-N 3.15Å; S2-I5 PolarHBondContact O-N 2.72Å
3S79.6Confident87.1Confident88 Ų8875.2 Ų75.262%0.61542%0.415SS*.G310 helixtrans-67.5-9.5-177.257.10000116.1M1 K7M1-S3 VanDerWaalsContact C-N 3.27Å; M1-S3 PolarHBondContact O-N 2.73Å; S3-K7 VanDerWaalsContact O-CE 3.25Å; S3-K7 WeakPolarHBondContact O-CE 3.32Å
4V87Confident87.7Confident52 Ų5278.1 Ų78.132%0.31543%0.43SS..G310 helixtrans-107.2-6.3179.1-62.40000113M1 S2 G6 K7 I42 I47M1-V4 VanDerWaalsContact O-CG2 3.3Å; M1-V4 WeakPolarHBondContact O-CG2 3.28Å; S2-V4 PolarHBondContact O-N 3.32Å; S2-V4 VanDerWaalsContact O-N 3.15Å; V4-G6 PolarHBondContact O-N 2.93Å; V4-K7 WeakPolarHBondContact O-CB 3.47Å; V4-K7 PolarHBondContact O-N 2.71Å; V4-K7 VanDerWaalsContact O-N 3.15Å; V4-I42 HydrophobicContact CB-CD1 4.47Å; V4-I47 HydrophobicContact CG2-CD1 3.71Å
5I85.9Confident88.2Confident55 Ų5575.9 Ų75.928%0.28242%0.415SS..THydrogen-bonded Turntrans-63.4132.9175.8-63.6172.6000108.4S2 K7 K44 I47S2-I5 PolarHBondContact O-N 2.72Å; I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K44 HydrophobicContact CD1-CB 4.34Å; I5-K44 HydrophobicContact CD1-CG 4.48Å; I5-I47 HydrophobicContact CG1-CD1 3.65Å
6G85.4Confident88.8Confident11 Ų1171.2 Ų71.211%0.11339%0.389CS..THydrogen-bonded Turntrans79.98.7-177.900000114.3V4 I42 A330V4-G6 PolarHBondContact O-N 2.93Å; G6-I42 PolarHBondContact N-O 2.62Å; G6-I42 VanDerWaalsContact N-O 3.13Å; G6-A330 WeakPolarHBondContact O-CB 3.27Å
7K93.3Very high89.3Confident121 Ų12169.8 Ų69.853%0.52639%0.386SS..  trans-98158.4170.2-61.7-168.3178.1-176.70110.9S3 V4 I5 I42S3-K7 VanDerWaalsContact O-CE 3.25Å; S3-K7 WeakPolarHBondContact O-CE 3.32Å; V4-K7 WeakPolarHBondContact O-CB 3.47Å; V4-K7 PolarHBondContact O-N 2.71Å; V4-K7 VanDerWaalsContact O-N 3.15Å; I5-K7 VanDerWaalsContact C-N 3.3Å; K7-I42 WeakPolarHBondContact O-CG1 3.35Å; K7-I42 PolarHBondContact O-N 2.83Å
8F95.5Very high89.6Confident56 Ų5668.4 Ų68.425%0.24638%0.378CS..EExtended strand (participates in β ladder)trans-94.8145.6174.3-73.5-98.2000111.2L40 L41 A330 L331 F334F8-L40 WeakPolarHBondContact CA-O 3.23Å; F8-L41 HydrophobicContact CD1-CB 4.48Å; F8-L41 HydrophobicContact CD2-CD1 4.02Å; F8-L41 HydrophobicContact CE1-CB 4.09Å; F8-L41 HydrophobicContact CE1-CD1 4.39Å; F8-L41 HydrophobicContact CE2-CD1 3.6Å; F8-L41 HydrophobicContact CZ-CB 4.22Å; F8-L41 HydrophobicContact CZ-CD1 3.8Å; F8-A330 HydrophobicContact CE2-CB 4.27Å; F8-L331 HydrophobicContact CE1-CD1 4.13Å; F8-L331 HydrophobicContact CZ-CB 4.36Å; F8-L331 HydrophobicContact CZ-CD1 3.72Å; F8-F334 HydrophobicContact CD1-CD1 4.49Å; F8-F334 AromaticContact CD1-CD2 3.96Å; F8-F334 HydrophobicContact CD1-CD2 3.96Å; F8-F334 HydrophobicContact CD1-CE2 4.12Å; F8-F334 HydrophobicContact CD1-CG 4.15Å; F8-F334 HydrophobicContact CD1-CZ 4.46Å; F8-F334 HydrophobicContact CD2-CB 4.36Å; F8-F334 HydrophobicContact CD2-CD2 4.33Å; F8-F334 HydrophobicContact CD2-CG 4.49Å; F8-F334 HydrophobicContact CE1-CB 4.1Å; F8-F334 AromaticContact CE1-CD1 3.79Å; F8-F334 HydrophobicContact CE1-CD1 3.79Å; F8-F334 AromaticContact CE1-CD2 3.98Å; F8-F334 HydrophobicContact CE1-CD2 3.98Å; F8-F334 HydrophobicContact CE1-CE1 4.18Å; F8-F334 HydrophobicContact CE1-CE2 4.35Å; F8-F334 AromaticContact CE1-CG 3.67Å; F8-F334 HydrophobicContact CE1-CG 3.67Å; F8-F334 HydrophobicContact CE1-CZ 4.45Å; F8-F334 HydrophobicContact CE2-CB 3.66Å; F8-F334 HydrophobicContact CE2-CD2 4.35Å; F8-F334 HydrophobicContact CE2-CG 4.06Å; F8-F334 HydrophobicContact CG-CD2 4.15Å; F8-F334 HydrophobicContact CZ-CB 3.51Å; F8-F334 HydrophobicContact CZ-CD1 4.01Å; F8-F334 HydrophobicContact CZ-CD2 4.19Å; F8-F334 AromaticContact CZ-CG 3.64Å; F8-F334 HydrophobicContact CZ-CG 3.64Å
9I95Very high90Very high49 Ų4965.9 Ų65.925%0.25136%0.363SS..EExtended strand (participates in β ladder)trans-117.6122.1168.6176.1168.9000108.7Y11 S39 L40 I42I9-Y11 HydrophobicContact CB-CE2 4.47Å; I9-Y11 HydrophobicContact CD1-CE1 4.33Å; I9-Y11 HydrophobicContact CG1-CE2 4.35Å; I9-Y11 HydrophobicContact CG2-CE2 3.61Å; I9-Y11 WeakPolarHBondContact CG2-OH 3.36Å; I9-Y11 WeakPolarHBondContact O-CD2 3.46Å; I9-Y11 WeakPolarHBondContact O-CE2 3.49Å; I9-S39 WeakPolarHBondContact O-CA 3.43Å; I9-L40 WeakPolarHBondContact CG2-O 3.44Å; I9-L40 PolarHBondContact N-O 3.06Å; I9-L40 PolarHBondContact O-N 3.49Å; I9-I42 HydrophobicContact CB-CD1 4.11Å; I9-I42 HydrophobicContact CB-CG1 4.21Å; I9-I42 HydrophobicContact CG2-CD1 4.1Å; I9-I42 HydrophobicContact CG2-CG1 3.68Å
10T96.4Very high90.3Very high91 Ų9162.7 Ų62.756%0.55835%0.345SS*.EExtended strand (participates in β ladder)trans-81.7128.8174.8-42.10000110.1S39T10-S39 WeakPolarHBondContact CA-OG 3.24Å; T10-S39 WeakPolarHBondContact CB-OG 3.27Å; T10-S39 PolarHBondContact OG1-OG 3.26Å
11Y97Very high90.7Very high18 Ų1862 Ų627%0.07134%0.339CS..PPolyproline II helixtrans-99.6138.2176.7-67.6-86.9000111.2I9 I20 L38 L40 Q100 C103I9-Y11 HydrophobicContact CB-CE2 4.47Å; I9-Y11 HydrophobicContact CD1-CE1 4.33Å; I9-Y11 HydrophobicContact CG1-CE2 4.35Å; I9-Y11 HydrophobicContact CG2-CE2 3.61Å; I9-Y11 WeakPolarHBondContact CG2-OH 3.36Å; I9-Y11 WeakPolarHBondContact O-CD2 3.46Å; I9-Y11 WeakPolarHBondContact O-CE2 3.49Å; Y11-I20 HydrophobicContact CD1-CD1 3.52Å; Y11-I20 HydrophobicContact CD2-CD1 3.62Å; Y11-I20 HydrophobicContact CE1-CD1 3.59Å; Y11-I20 HydrophobicContact CE2-CD1 3.67Å; Y11-I20 HydrophobicContact CG-CD1 3.54Å; Y11-L38 PolarHBondContact N-O 2.61Å; Y11-L40 HydrophobicContact CD2-CD1 4.18Å; Y11-L40 HydrophobicContact CD2-CG 4.39Å; Y11-L40 HydrophobicContact CE2-CB 4.07Å; Y11-L40 HydrophobicContact CE2-CD1 3.84Å; Y11-L40 HydrophobicContact CE2-CG 4.16Å; Y11-Q100 WeakPolarHBondContact OH-CG 3.27Å; Y11-C103 HydrophobicContact CE1-CB 4.3Å; Y11-C103 VanDerWaalsContact CE1-SG 3.59Å
12P96.9Very high92.4Very high61 Ų6158.4 Ų58.440%0.39633%0.325SS..PPolyproline II helixtrans-56.3140.4165-24.735.8000110.9N14 E15 F16P12-N14 VanDerWaalsContact C-N 3.28Å; P12-N14 WeakPolarHBondContact CB-OD1 3.22Å; P12-N14 PolarHBondContact O-N 3.48Å; P12-E15 HydrophobicContact CB-CG 4.47Å; P12-E15 PolarHBondContact O-N 3.19Å; P12-F16 PolarHBondContact O-N 3.37Å
13E96.5Very high93.9Very high147 Ų14754 Ų5469%0.68729%0.293SS*.Hα-helixtrans-53.4-43.4-175.5-174.1179.2-176.600112.8E15 F16 S17 L38E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 3.16Å; E13-F16 PolarHBondContact O-N 3.36Å; E13-S17 WeakPolarHBondContact O-CB 3.49Å; E13-S17 PolarHBondContact O-N 2.93Å; E13-S17 PolarHBondContact O-OG 3.41Å; E13-L38 HydrophobicContact CB-CD1 4.15Å; E13-L38 HydrophobicContact CG-CD1 4.33Å
14N95.4Very high94.7Very high117 Ų11750.8 Ų50.863%0.62627%0.269SS*.Hα-helixtrans-62.3-38.2178.165.1-27.9000113.3P12 L18P12-N14 VanDerWaalsContact C-N 3.28Å; P12-N14 WeakPolarHBondContact CB-OD1 3.22Å; P12-N14 PolarHBondContact O-N 3.48Å; N14-L18 WeakPolarHBondContact O-CB 3.47Å; N14-L18 PolarHBondContact O-N 3.46Å
15E95.7Very high95Very high45 Ų4552.1 Ų52.121%0.2127%0.27CS..Hα-helixtrans-76.9-38.7177.4-68.3-169.6173.700111.6P12 E13 L18 F19 R107P12-E15 HydrophobicContact CB-CG 4.47Å; P12-E15 PolarHBondContact O-N 3.19Å; E13-E15 VanDerWaalsContact C-N 3.35Å; E13-E15 PolarHBondContact O-N 3.16Å; E15-L18 PolarHBondContact O-N 2.83Å; E15-F19 HydrophobicContact CB-CD2 4.04Å; E15-F19 HydrophobicContact CB-CE2 4.38Å; E15-F19 HydrophobicContact CG-CD2 4.43Å; E15-F19 HydrophobicContact CG-CE2 4.28Å; E15-F19 WeakPolarHBondContact O-CB 3.42Å; E15-F19 VanDerWaalsContact O-CD2 3.28Å; E15-F19 WeakPolarHBondContact O-CD2 3.41Å; E15-F19 PolarHBondContact O-N 3.47Å; E15-R107 IonicContact OE1-NE 2.88Å; E15-R107 IonicContact OE2-CZ 3.92Å; E15-R107 IonicContact OE2-NE 3.75Å; E15-R107 PolarHBondContact OE2-NE 2.99Å; E15-R107 IonicContact OE2-NH2 2.67Å; E15-R107 PolarHBondContact OE2-NH2 3.39Å
16F97.2Very high95.3Very high0 Ų054 Ų540%029%0.285CS..Iπ-helixtrans-60.7-53.9176.8-177-89.1000110.6P12 E13 L18 I20 E21 L24 L32 L38 L40P12-F16 PolarHBondContact O-N 3.37Å; E13-F16 PolarHBondContact O-N 3.36Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 2.85Å; F16-I20 HydrophobicContact CD2-CB 4.08Å; F16-I20 HydrophobicContact CD2-CD1 4.14Å; F16-I20 HydrophobicContact CD2-CG2 4.06Å; F16-I20 HydrophobicContact CE2-CB 4.36Å; F16-I20 HydrophobicContact CE2-CG2 3.87Å; F16-I20 HydrophobicContact CG-CB 4.46Å; F16-I20 HydrophobicContact CZ-CG2 4.47Å; F16-I20 WeakPolarHBondContact O-CA 3.4Å; F16-I20 WeakPolarHBondContact O-CB 3.36Å; F16-I20 PolarHBondContact O-N 3.34Å; F16-E21 HydrophobicContact CD1-CB 4.03Å; F16-E21 HydrophobicContact CE1-CB 3.88Å; F16-E21 HydrophobicContact CE1-CG 4.32Å; F16-E21 PolarHBondContact O-N 2.9Å; F16-L24 HydrophobicContact CE2-CD1 4.04Å; F16-L24 HydrophobicContact CZ-CD1 3.64Å; F16-L32 HydrophobicContact CE2-CD1 3.93Å; F16-L32 HydrophobicContact CZ-CD1 3.77Å; F16-L38 HydrophobicContact CB-CD1 3.86Å; F16-L38 HydrophobicContact CD1-CD1 4.06Å; F16-L38 HydrophobicContact CD1-CD2 4.12Å; F16-L38 HydrophobicContact CD2-CB 3.97Å; F16-L38 HydrophobicContact CE1-CD2 4.06Å; F16-L38 HydrophobicContact CE2-CB 4.37Å; F16-L38 HydrophobicContact CE2-CD2 4.47Å; F16-L38 HydrophobicContact CG-CB 4.19Å; F16-L38 HydrophobicContact CG-CD1 3.9Å; F16-L38 HydrophobicContact CG-CD2 4.36Å; F16-L38 HydrophobicContact CG-CG 4.38Å; F16-L38 HydrophobicContact CZ-CD2 4.23Å; F16-L40 HydrophobicContact CE2-CD1 4.24Å
17S96.5Very high95.7Very high48 Ų4859.5 Ų59.534%0.33631%0.307SS..Iπ-helixtrans-64.1-30.6-179-68.60000113.4E13 E21E13-S17 WeakPolarHBondContact O-CB 3.49Å; E13-S17 PolarHBondContact O-N 2.93Å; E13-S17 PolarHBondContact O-OG 3.41Å; S17-E21 VanDerWaalsContact CA-OE2 3.27Å; S17-E21 WeakPolarHBondContact CA-OE2 3.48Å; S17-E21 VanDerWaalsContact CB-OE2 3.28Å; S17-E21 WeakPolarHBondContact CB-OE2 3.17Å; S17-E21 PolarHBondContact OG-OE2 3.19Å
18L95.6Very high95.8Very high45 Ų4555.8 Ų55.824%0.23629%0.293CS..Iπ-helixtrans-83.2-42.8-178.4-169.662.4000113.3N14 E15 F16 Q163 L164N14-L18 WeakPolarHBondContact O-CB 3.47Å; N14-L18 PolarHBondContact O-N 3.46Å; E15-L18 PolarHBondContact O-N 2.83Å; F16-L18 VanDerWaalsContact C-N 3.26Å; F16-L18 PolarHBondContact O-N 2.85Å; L18-Q163 HydrophobicContact CD1-CG 3.97Å; L18-L164 HydrophobicContact CD1-CB 4.4Å; L18-L164 HydrophobicContact CD1-CD1 4.14Å; L18-L164 HydrophobicContact CD2-CD1 4.32Å; L18-L164 HydrophobicContact CG-CD1 3.73Å
19F96.8Very high95.9Very high21 Ų2153.6 Ų53.69%0.09228%0.284CS..Iπ-helixtrans-107-28.4-169.3-60.2-65.2000114.3E15 F23 T102 C103 I112 L164E15-F19 HydrophobicContact CB-CD2 4.04Å; E15-F19 HydrophobicContact CB-CE2 4.38Å; E15-F19 HydrophobicContact CG-CD2 4.43Å; E15-F19 HydrophobicContact CG-CE2 4.28Å; E15-F19 WeakPolarHBondContact O-CB 3.42Å; E15-F19 VanDerWaalsContact O-CD2 3.28Å; E15-F19 WeakPolarHBondContact O-CD2 3.41Å; E15-F19 PolarHBondContact O-N 3.47Å; F19-F23 WeakPolarHBondContact O-CD2 3.32Å; F19-F23 WeakPolarHBondContact O-CE2 3.48Å; F19-T102 HydrophobicContact CB-CG2 4.28Å; F19-T102 HydrophobicContact CD1-CG2 4.19Å; F19-C103 HydrophobicContact CB-CB 3.81Å; F19-C103 HydrophobicContact CG-CB 4.35Å; F19-I112 HydrophobicContact CD1-CD1 3.95Å; F19-I112 HydrophobicContact CE1-CD1 3.78Å; F19-L164 HydrophobicContact CD1-CD1 3.39Å; F19-L164 HydrophobicContact CE1-CD1 3.36Å; F19-L164 HydrophobicContact CE1-CG 4.45Å; F19-L164 HydrophobicContact CG-CD1 4.47Å; F19-L164 HydrophobicContact CZ-CD1 4.44Å
20I97.4Very high95.9Very high0 Ų056.8 Ų56.80%030%0.298CS..Iπ-helixtrans-110.6-56-167.4-58.4-179.1000111.1Y11 F16 P22 F23 L24 L40 C103Y11-I20 HydrophobicContact CD1-CD1 3.52Å; Y11-I20 HydrophobicContact CD2-CD1 3.62Å; Y11-I20 HydrophobicContact CE1-CD1 3.59Å; Y11-I20 HydrophobicContact CE2-CD1 3.67Å; Y11-I20 HydrophobicContact CG-CD1 3.54Å; F16-I20 HydrophobicContact CD2-CB 4.08Å; F16-I20 HydrophobicContact CD2-CD1 4.14Å; F16-I20 HydrophobicContact CD2-CG2 4.06Å; F16-I20 HydrophobicContact CE2-CB 4.36Å; F16-I20 HydrophobicContact CE2-CG2 3.87Å; F16-I20 HydrophobicContact CG-CB 4.46Å; F16-I20 HydrophobicContact CZ-CG2 4.47Å; F16-I20 WeakPolarHBondContact O-CA 3.4Å; F16-I20 WeakPolarHBondContact O-CB 3.36Å; F16-I20 PolarHBondContact O-N 3.34Å; I20-P22 VanDerWaalsContact O-N 3.09Å; I20-F23 PolarHBondContact O-N 2.91Å; I20-L24 HydrophobicContact CG2-CD1 3.82Å; I20-L24 HydrophobicContact CG2-CD2 4.32Å; I20-L24 HydrophobicContact CG2-CG 4.04Å; I20-L40 HydrophobicContact CD1-CD1 4.06Å; I20-L40 HydrophobicContact CG2-CD1 3.67Å; I20-C103 HydrophobicContact CD1-CB 4.19Å; I20-C103 HydrophobicContact CG1-CB 4.03Å
21E97Very high95.8Very high49 Ų4953 Ų5323%0.22927%0.274CS..G310 helixtrans-45.3-40.8-179.1-173.8171.1176.900113.3F16 S17 F23 L24 V29 K33F16-E21 HydrophobicContact CD1-CB 4.03Å; F16-E21 HydrophobicContact CE1-CB 3.88Å; F16-E21 HydrophobicContact CE1-CG 4.32Å; F16-E21 PolarHBondContact O-N 2.9Å; S17-E21 VanDerWaalsContact CA-OE2 3.27Å; S17-E21 WeakPolarHBondContact CA-OE2 3.48Å; S17-E21 VanDerWaalsContact CB-OE2 3.28Å; S17-E21 WeakPolarHBondContact CB-OE2 3.17Å; S17-E21 PolarHBondContact OG-OE2 3.19Å; E21-F23 PolarHBondContact O-N 3.49Å; E21-L24 PolarHBondContact O-N 2.87Å; E21-V29 HydrophobicContact CG-CG1 3.95Å; E21-V29 HydrophobicContact CG-CG2 3.9Å; E21-K33 IonicContact OE1-NZ 2.9Å; E21-K33 PolarHBondContact OE1-NZ 3.48Å; E21-K33 IonicContact OE2-NZ 3.95Å
22P95.8Very high95.8Very high50 Ų5052.3 Ų52.333%0.32527%0.272SS..G310 helixtrans-61-20.3179.8-26.737.7000115.9I20 T116I20-P22 VanDerWaalsContact O-N 3.09Å; P22-T116 HydrophobicContact CB-CG2 3.67Å; P22-T116 WeakPolarHBondContact O-CB 3.39Å; P22-T116 PolarHBondContact O-OG1 3.29Å
23F96.8Very high95.8Very high11 Ų1154.5 Ų54.55%0.04828%0.275CS..G310 helixtrans-94.4-19176.6-65.9-86.5000113F19 I20 E21 S95 L98 T102 T116 V234 D236F19-F23 WeakPolarHBondContact O-CD2 3.32Å; F19-F23 WeakPolarHBondContact O-CE2 3.48Å; I20-F23 PolarHBondContact O-N 2.91Å; E21-F23 PolarHBondContact O-N 3.49Å; F23-S95 WeakPolarHBondContact CB-O 2.97Å; F23-S95 WeakPolarHBondContact O-CB 3.26Å; F23-L98 HydrophobicContact CD1-CB 3.74Å; F23-L98 HydrophobicContact CD1-CD1 4.12Å; F23-L98 HydrophobicContact CE1-CB 3.93Å; F23-L98 HydrophobicContact CE1-CD1 4.31Å; F23-L98 HydrophobicContact CG-CB 4.25Å; F23-T102 HydrophobicContact CE2-CG2 3.99Å; F23-T102 WeakPolarHBondContact CE2-OG1 3.39Å; F23-T102 HydrophobicContact CZ-CG2 4.47Å; F23-T102 WeakPolarHBondContact CZ-OG1 3.22Å; F23-T116 HydrophobicContact CD1-CG2 3.92Å; F23-T116 HydrophobicContact CD2-CG2 4.08Å; F23-T116 HydrophobicContact CE1-CG2 3.7Å; F23-T116 HydrophobicContact CE2-CG2 3.87Å; F23-T116 HydrophobicContact CG-CG2 4.11Å; F23-T116 HydrophobicContact CZ-CG2 3.67Å; F23-V234 HydrophobicContact CE1-CG1 4.35Å; F23-V234 HydrophobicContact CE1-CG2 3.85Å; F23-V234 HydrophobicContact CZ-CB 4.46Å; F23-V234 HydrophobicContact CZ-CG1 3.72Å; F23-V234 HydrophobicContact CZ-CG2 3.86Å; F23-D236 HydrophobicContact CD1-CB 4.48Å
24L95.7Very high95.7Very high20 Ų2052.2 Ų52.211%0.10527%0.271CS..SBendtrans-84.1152.3-173.1-57.5-169.8000110.5F16 I20 E21 L28 V29 L32 V96F16-L24 HydrophobicContact CE2-CD1 4.04Å; F16-L24 HydrophobicContact CZ-CD1 3.64Å; I20-L24 HydrophobicContact CG2-CD1 3.82Å; I20-L24 HydrophobicContact CG2-CD2 4.32Å; I20-L24 HydrophobicContact CG2-CG 4.04Å; E21-L24 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CD1-CD2 4.09Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CD2-CD2 4.15Å; L24-L28 HydrophobicContact CG-CD2 4.49Å; L24-V29 HydrophobicContact CB-CG2 3.66Å; L24-V29 HydrophobicContact CD1-CG2 4.29Å; L24-L32 HydrophobicContact CD1-CD1 4.45Å; L24-V96 HydrophobicContact CD2-CB 4.4Å; L24-V96 HydrophobicContact CD2-CG2 3.77Å
25K92.7Very high95.7Very high79 Ų7948 Ų4834%0.34325%0.247SC..  trans-71.8151.9168.2-62.3-174.8176.2173.90110.1E27 L28 V29K25-E27 VanDerWaalsContact CB-OE2 3.25Å; K25-E27 WeakPolarHBondContact CB-OE2 3.45Å; K25-E27 PolarHBondContact O-N 3.21Å; K25-L28 PolarHBondContact O-N 2.87Å; K25-V29 WeakPolarHBondContact O-CG2 3.3Å; K25-V29 PolarHBondContact O-N 2.99Å
26V93.6Very high95.7Very high96 Ų9649.2 Ų49.258%0.58227%0.271SS*.Hα-helixtrans-55.1-41.7-178.6179.60000111.1L28 V29 E30V26-L28 PolarHBondContact O-N 2.92Å; V26-V29 PolarHBondContact O-N 3.3Å; V26-V29 VanDerWaalsContact O-N 3.13Å; V26-E30 HydrophobicContact CG1-CG 4.2Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.13Å; V26-E30 WeakPolarHBondContact O-CG 3.5Å; V26-E30 PolarHBondContact O-N 3.35Å
27E93.9Very high95.7Very high126 Ų12651 Ų5159%0.58928%0.281SS*.Hα-helixtrans-61.9-41.7-177.3-56.183.9176.600112.1K25 E30 E31K25-E27 VanDerWaalsContact CB-OE2 3.25Å; K25-E27 WeakPolarHBondContact CB-OE2 3.45Å; K25-E27 PolarHBondContact O-N 3.21Å; E27-E30 PolarHBondContact O-N 3.04Å; E27-E31 WeakPolarHBondContact O-CB 3.32Å; E27-E31 PolarHBondContact O-N 2.9Å
28L95.3Very high95.7Very high43 Ų4349.8 Ų49.823%0.22527%0.271CS..Hα-helixtrans-70.5-34.3177.8178.560.1000111.8L24 K25 V26 L32 V96L24-L28 HydrophobicContact CD1-CD2 4.09Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CD2-CD2 4.15Å; L24-L28 HydrophobicContact CG-CD2 4.49Å; K25-L28 PolarHBondContact O-N 2.87Å; V26-L28 PolarHBondContact O-N 2.92Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.19Å; L28-L32 VanDerWaalsContact O-N 3.09Å; L28-V96 HydrophobicContact CD2-CG2 4.01Å
29V96.4Very high95.7Very high10 Ų1047.9 Ų47.96%0.06126%0.261CS..Hα-helixtrans-67.4-43176.6175.30000110.4E21 L24 K25 V26 K33E21-V29 HydrophobicContact CG-CG1 3.95Å; E21-V29 HydrophobicContact CG-CG2 3.9Å; L24-V29 HydrophobicContact CB-CG2 3.66Å; L24-V29 HydrophobicContact CD1-CG2 4.29Å; K25-V29 WeakPolarHBondContact O-CG2 3.3Å; K25-V29 PolarHBondContact O-N 2.99Å; V26-V29 PolarHBondContact O-N 3.3Å; V26-V29 VanDerWaalsContact O-N 3.13Å; V29-K33 HydrophobicContact CG1-CD 3.92Å; V29-K33 HydrophobicContact CG1-CG 4.47Å; V29-K33 WeakPolarHBondContact O-CB 3.4Å; V29-K33 VanDerWaalsContact O-CG 3.28Å; V29-K33 WeakPolarHBondContact O-CG 3.24Å; V29-K33 PolarHBondContact O-N 3.21Å
30E95.5Very high95.7Very high115 Ų11547.3 Ų47.354%0.53726%0.259SS..Hα-helixtrans-64.4-42.3175.6-71.7177.1170.800111.7V26 E27 K33 T34V26-E30 HydrophobicContact CG1-CG 4.2Å; V26-E30 WeakPolarHBondContact CG1-OE1 3.13Å; V26-E30 WeakPolarHBondContact O-CG 3.5Å; V26-E30 PolarHBondContact O-N 3.35Å; E27-E30 PolarHBondContact O-N 3.04Å; E30-K33 PolarHBondContact O-N 2.86Å; E30-T34 WeakPolarHBondContact O-CB 3.39Å; E30-T34 PolarHBondContact O-N 2.91Å; E30-T34 PolarHBondContact O-OG1 3.32Å
31E94.9Very high95.7Very high12 Ų1247.8 Ų47.86%0.05626%0.262CS..Hα-helixtrans-54.5-55.2174.3-177-176.7136.200110.9E27 K33 T34 F35 Y335 W340 S367E27-E31 WeakPolarHBondContact O-CB 3.32Å; E27-E31 PolarHBondContact O-N 2.9Å; E31-K33 PolarHBondContact O-N 3.38Å; E31-T34 WeakPolarHBondContact O-CB 2.87Å; E31-T34 PolarHBondContact O-N 3.34Å; E31-F35 HydrophobicContact CG-CE1 4.34Å; E31-F35 HydrophobicContact CG-CE2 3.63Å; E31-F35 HydrophobicContact CG-CZ 3.51Å; E31-F35 WeakPolarHBondContact O-CG 3.08Å; E31-F35 PolarHBondContact O-N 2.97Å; E31-F35 VanDerWaalsContact O-N 3.11Å; E31-Y335 WeakPolarHBondContact OE1-CE1 3.49Å; E31-Y335 PolarHBondContact OE1-OH 2.79Å; E31-W340 HydrophobicContact CG-CZ2 4.26Å; E31-S367 PolarHBondContact OE2-OG 2.85Å
32L96.6Very high95.7Very high4 Ų447 Ų472%0.02126%0.259CS..Hα-helixtrans-65.5-37.7-179.4-64.8169.9000113.1F16 L24 L28 T34 F35 G36 D37 L38 L40 F334F16-L32 HydrophobicContact CE2-CD1 3.93Å; F16-L32 HydrophobicContact CZ-CD1 3.77Å; L24-L32 HydrophobicContact CD1-CD1 4.45Å; L28-L32 HydrophobicContact CD1-CD1 4.2Å; L28-L32 HydrophobicContact CD1-CG 4.22Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 3.19Å; L28-L32 VanDerWaalsContact O-N 3.09Å; L32-T34 VanDerWaalsContact C-N 3.32Å; L32-F35 HydrophobicContact CD2-CD2 4.36Å; L32-F35 PolarHBondContact O-N 2.83Å; L32-G36 PolarHBondContact O-N 3.32Å; L32-D37 PolarHBondContact O-N 3.02Å; L32-L38 HydrophobicContact CB-CD2 4.01Å; L32-L40 HydrophobicContact CD1-CD2 3.7Å; L32-F334 HydrophobicContact CD2-CE1 4.46Å
33K96Very high95.6Very high107 Ų10745.3 Ų45.347%0.46525%0.246SC..Hα-helixtrans-66.8-35175.2-76177.4-176.9170.40111.6E21 V29 E30 E31 F35 G36 L38E21-K33 IonicContact OE1-NZ 2.9Å; E21-K33 PolarHBondContact OE1-NZ 3.48Å; E21-K33 IonicContact OE2-NZ 3.95Å; V29-K33 HydrophobicContact CG1-CD 3.92Å; V29-K33 HydrophobicContact CG1-CG 4.47Å; V29-K33 WeakPolarHBondContact O-CB 3.4Å; V29-K33 VanDerWaalsContact O-CG 3.28Å; V29-K33 WeakPolarHBondContact O-CG 3.24Å; V29-K33 PolarHBondContact O-N 3.21Å; E30-K33 PolarHBondContact O-N 2.86Å; E31-K33 PolarHBondContact O-N 3.38Å; K33-F35 VanDerWaalsContact C-N 3.33Å; K33-G36 PolarHBondContact O-N 3.11Å; K33-G36 VanDerWaalsContact O-N 3.14Å; K33-L38 HydrophobicContact CG-CD2 4.43Å
34T95.4Very high95.6Very high99 Ų9950.5 Ų50.561%0.60727%0.268SS*.Hα-helixtrans-65.9-36.9175.8-58.80000111.4E30 E31 L32 G36 W340E30-T34 WeakPolarHBondContact O-CB 3.39Å; E30-T34 PolarHBondContact O-N 2.91Å; E30-T34 PolarHBondContact O-OG1 3.32Å; E31-T34 WeakPolarHBondContact O-CB 2.87Å; E31-T34 PolarHBondContact O-N 3.34Å; L32-T34 VanDerWaalsContact C-N 3.32Å; T34-G36 PolarHBondContact O-N 3.18Å; T34-W340 HydrophobicContact CG2-CZ3 4.09Å
35F95.4Very high95.6Very high28 Ų2850.3 Ų50.312%0.12327%0.268CS..Hα-helixtrans-67-24.3173.2-59.9-20.2000113.2E31 L32 K33 D37 F334 Y335 N338 W340E31-F35 HydrophobicContact CG-CE1 4.34Å; E31-F35 HydrophobicContact CG-CE2 3.63Å; E31-F35 HydrophobicContact CG-CZ 3.51Å; E31-F35 WeakPolarHBondContact O-CG 3.08Å; E31-F35 PolarHBondContact O-N 2.97Å; E31-F35 VanDerWaalsContact O-N 3.11Å; L32-F35 HydrophobicContact CD2-CD2 4.36Å; L32-F35 PolarHBondContact O-N 2.83Å; K33-F35 VanDerWaalsContact C-N 3.33Å; F35-D37 HydrophobicContact CB-CB 4.08Å; F35-D37 PolarHBondContact O-N 3.49Å; F35-F334 AromaticContact CD2-CE1 3.79Å; F35-F334 HydrophobicContact CD2-CE1 3.79Å; F35-F334 HydrophobicContact CD2-CZ 4.04Å; F35-F334 AromaticContact CE2-CE1 3.76Å; F35-F334 HydrophobicContact CE2-CE1 3.76Å; F35-F334 HydrophobicContact CE2-CZ 4.47Å; F35-Y335 HydrophobicContact CE2-CD1 4.19Å; F35-Y335 HydrophobicContact CE2-CE1 4.13Å; F35-Y335 HydrophobicContact CZ-CD1 4.03Å; F35-Y335 HydrophobicContact CZ-CE1 4.14Å; F35-N338 HydrophobicContact CB-CB 4.3Å; F35-N338 HydrophobicContact CD1-CB 3.69Å; F35-N338 HydrophobicContact CD2-CB 4.28Å; F35-N338 HydrophobicContact CE1-CB 4.04Å; F35-N338 HydrophobicContact CG-CB 3.83Å; F35-N338 HydrophobicContact CZ-CB 4.49Å; F35-W340 HydrophobicContact CD1-CE3 4.4Å; F35-W340 HydrophobicContact CE1-CB 3.66Å; F35-W340 AromaticContact CE1-CD2 3.46Å; F35-W340 HydrophobicContact CE1-CD2 3.46Å; F35-W340 VanDerWaalsContact CE1-CD2 3.46Å; F35-W340 AromaticContact CE1-CE3 3.45Å; F35-W340 HydrophobicContact CE1-CE3 3.45Å; F35-W340 VanDerWaalsContact CE1-CE3 3.45Å; F35-W340 AromaticContact CE1-CG 3.58Å; F35-W340 HydrophobicContact CE1-CG 3.58Å; F35-W340 HydrophobicContact CE1-CZ3 4.17Å; F35-W340 HydrophobicContact CZ-CB 3.82Å; F35-W340 AromaticContact CZ-CD1 3.96Å; F35-W340 AromaticContact CZ-CD2 3.72Å; F35-W340 HydrophobicContact CZ-CD2 3.72Å; F35-W340 HydrophobicContact CZ-CE3 4.18Å; F35-W340 AromaticContact CZ-CG 3.56Å; F35-W340 HydrophobicContact CZ-CG 3.56Å
36G95.7Very high95.7Very high70 Ų7046.8 Ų46.872%0.72225%0.253SS*.THydrogen-bonded Turntrans6516.9-16400000112.2L32 K33 T34L32-G36 PolarHBondContact O-N 3.32Å; K33-G36 PolarHBondContact O-N 3.11Å; K33-G36 VanDerWaalsContact O-N 3.14Å; T34-G36 PolarHBondContact O-N 3.18Å
37D95.8Very high95.8Very high39 Ų3942.8 Ų42.821%0.20923%0.229CC..  trans-130.1104.7-177.6-170.2-3.9000110.5L32 F35 S39 F334L32-D37 PolarHBondContact O-N 3.02Å; F35-D37 HydrophobicContact CB-CB 4.08Å; F35-D37 PolarHBondContact O-N 3.49Å; D37-S39 VanDerWaalsContact CG-OG 3.3Å; D37-S39 PolarHBondContact O-N 2.9Å; D37-S39 WeakPolarHBondContact OD1-CB 3.2Å; D37-S39 PolarHBondContact OD1-N 3.4Å; D37-S39 PolarHBondContact OD1-OG 2.97Å; D37-S39 PolarHBondContact OD2-OG 3.28Å; D37-F334 WeakPolarHBondContact OD2-CE2 3.36Å
38L97Very high95.8Very high22 Ų2239.9 Ų39.912%0.11522%0.217CC..  trans-85.347.4178.7-56.7178.4000111.2Y11 E13 F16 L32 K33Y11-L38 PolarHBondContact N-O 2.61Å; E13-L38 HydrophobicContact CB-CD1 4.15Å; E13-L38 HydrophobicContact CG-CD1 4.33Å; F16-L38 HydrophobicContact CB-CD1 3.86Å; F16-L38 HydrophobicContact CD1-CD1 4.06Å; F16-L38 HydrophobicContact CD1-CD2 4.12Å; F16-L38 HydrophobicContact CD2-CB 3.97Å; F16-L38 HydrophobicContact CE1-CD2 4.06Å; F16-L38 HydrophobicContact CE2-CB 4.37Å; F16-L38 HydrophobicContact CE2-CD2 4.47Å; F16-L38 HydrophobicContact CG-CB 4.19Å; F16-L38 HydrophobicContact CG-CD1 3.9Å; F16-L38 HydrophobicContact CG-CD2 4.36Å; F16-L38 HydrophobicContact CG-CG 4.38Å; F16-L38 HydrophobicContact CZ-CD2 4.23Å; L32-L38 HydrophobicContact CB-CD2 4.01Å; K33-L38 HydrophobicContact CG-CD2 4.43Å
39S96.8Very high95.9Very high5 Ų537.9 Ų37.94%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-93130.4-177.8-79.40000112I9 T10 D37I9-S39 WeakPolarHBondContact O-CA 3.43Å; T10-S39 WeakPolarHBondContact CA-OG 3.24Å; T10-S39 WeakPolarHBondContact CB-OG 3.27Å; T10-S39 PolarHBondContact OG1-OG 3.26Å; D37-S39 VanDerWaalsContact CG-OG 3.3Å; D37-S39 PolarHBondContact O-N 2.9Å; D37-S39 WeakPolarHBondContact OD1-CB 3.2Å; D37-S39 PolarHBondContact OD1-N 3.4Å; D37-S39 PolarHBondContact OD1-OG 2.97Å; D37-S39 PolarHBondContact OD2-OG 3.28Å
40L96.9Very high95.8Very high9 Ų939.4 Ų39.45%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-120.2143.3176-59.3171000111.3F8 I9 Y11 F16 I20 L32 I42 V96 Q100F8-L40 WeakPolarHBondContact CA-O 3.23Å; I9-L40 WeakPolarHBondContact CG2-O 3.44Å; I9-L40 PolarHBondContact N-O 3.06Å; I9-L40 PolarHBondContact O-N 3.49Å; Y11-L40 HydrophobicContact CD2-CD1 4.18Å; Y11-L40 HydrophobicContact CD2-CG 4.39Å; Y11-L40 HydrophobicContact CE2-CB 4.07Å; Y11-L40 HydrophobicContact CE2-CD1 3.84Å; Y11-L40 HydrophobicContact CE2-CG 4.16Å; F16-L40 HydrophobicContact CE2-CD1 4.24Å; I20-L40 HydrophobicContact CD1-CD1 4.06Å; I20-L40 HydrophobicContact CG2-CD1 3.67Å; L32-L40 HydrophobicContact CD1-CD2 3.7Å; L40-I42 PolarHBondContact O-N 3.3Å; L40-V96 HydrophobicContact CB-CG1 4.46Å; L40-V96 HydrophobicContact CD1-CG1 4.19Å; L40-V96 HydrophobicContact CD2-CG1 4.39Å; L40-Q100 HydrophobicContact CD1-CG 4.47Å
41L96.9Very high95.8Very high10 Ų1037.1 Ų37.15%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-65.7132.8177.6-168.770.4000111.2F8 R43 Q100 Y323 E327 A330F8-L41 HydrophobicContact CD1-CB 4.48Å; F8-L41 HydrophobicContact CD2-CD1 4.02Å; F8-L41 HydrophobicContact CE1-CB 4.09Å; F8-L41 HydrophobicContact CE1-CD1 4.39Å; F8-L41 HydrophobicContact CE2-CD1 3.6Å; F8-L41 HydrophobicContact CZ-CB 4.22Å; F8-L41 HydrophobicContact CZ-CD1 3.8Å; L41-R43 HydrophobicContact CD2-CG 4.28Å; L41-R43 HydrophobicContact CG-CG 4.4Å; L41-R43 PolarHBondContact O-N 3.31Å; L41-Q100 PolarHBondContact O-NE2 3.08Å; L41-Q100 VanDerWaalsContact O-NE2 3.14Å; L41-Y323 HydrophobicContact CD2-CD1 4.02Å; L41-Y323 HydrophobicContact CD2-CE1 3.54Å; L41-E327 HydrophobicContact CD2-CB 3.81Å; L41-E327 HydrophobicContact CD2-CG 3.98Å; L41-A330 HydrophobicContact CD1-CB 4.32Å
42I95.4Very high95.8Very high32 Ų3239.8 Ų39.816%0.16422%0.217CC..  trans-85.1113.7172.2-56.5176.4000108.8V4 G6 K7 I9 L40 I47V4-I42 HydrophobicContact CB-CD1 4.47Å; G6-I42 PolarHBondContact N-O 2.62Å; G6-I42 VanDerWaalsContact N-O 3.13Å; K7-I42 WeakPolarHBondContact O-CG1 3.35Å; K7-I42 PolarHBondContact O-N 2.83Å; I9-I42 HydrophobicContact CB-CD1 4.11Å; I9-I42 HydrophobicContact CB-CG1 4.21Å; I9-I42 HydrophobicContact CG2-CD1 4.1Å; I9-I42 HydrophobicContact CG2-CG1 3.68Å; L40-I42 PolarHBondContact O-N 3.3Å; I42-I47 HydrophobicContact CG2-CD1 3.61Å; I42-I47 HydrophobicContact CG2-CG1 3.55Å
43R95.5Very high95.7Very high15 Ų1539.8 Ų39.86%0.05722%0.217CC..  trans-103.4155.5-180-55.2-163.169.4-158.4-2.4112.5L41 P45 T46 I47 T92 E321 N322 E327L41-R43 HydrophobicContact CD2-CG 4.28Å; L41-R43 HydrophobicContact CG-CG 4.4Å; L41-R43 PolarHBondContact O-N 3.31Å; R43-P45 HydrophobicContact CB-CG 4.16Å; R43-T46 WeakPolarHBondContact O-CB 3.36Å; R43-T46 PolarHBondContact O-N 2.63Å; R43-I47 PolarHBondContact O-N 2.95Å; R43-T92 PolarHBondContact NH1-O 3.31Å; R43-E321 VanDerWaalsContact CZ-O 3.24Å; R43-E321 PolarHBondContact NH1-O 3.45Å; R43-E321 PolarHBondContact NH2-O 2.95Å; R43-N322 PolarHBondContact NH2-O 2.82Å; R43-E327 IonicContact CZ-OE2 3.05Å; R43-E327 IonicContact NE-OE1 3.69Å; R43-E327 PolarHBondContact NE-OE1 3.2Å; R43-E327 IonicContact NE-OE2 3.73Å; R43-E327 PolarHBondContact NE-OE2 3.02Å; R43-E327 IonicContact NH2-OE1 3.44Å; R43-E327 IonicContact NH2-OE2 3.05Å; R43-E327 PolarHBondContact NH2-OE2 3.21Å
44K95.3Very high95.7Very high120 Ų12037.9 Ų37.952%0.52221%0.211SC..Hα-helixtrans-52.2-48.3176.5-173.7-179.6176.5-1720114.1I5 T46 I47 N48I5-K44 HydrophobicContact CD1-CB 4.34Å; I5-K44 HydrophobicContact CD1-CG 4.48Å; K44-T46 PolarHBondContact O-N 3.03Å; K44-I47 PolarHBondContact O-N 3.28Å; K44-N48 PolarHBondContact O-N 2.89Å
45P96.1Very high95.6Very high16 Ų1637.5 Ų37.510%0.10421%0.206CC..Hα-helixtrans-59.2-41.717821.2-34.4000112.9R43 I47 N48 M49 I97 V318R43-P45 HydrophobicContact CB-CG 4.16Å; P45-I47 PolarHBondContact O-N 3.05Å; P45-N48 PolarHBondContact O-N 2.69Å; P45-M49 WeakPolarHBondContact O-CB 3.36Å; P45-M49 WeakPolarHBondContact O-CG 3.07Å; P45-M49 PolarHBondContact O-N 3.34Å; P45-I97 HydrophobicContact CB-CD1 3.98Å; P45-I97 HydrophobicContact CG-CD1 3.59Å; P45-V318 HydrophobicContact CB-CG1 3.94Å
46T95.3Very high95.4Very high5 Ų537.5 Ų37.53%0.03121%0.206CC..Hα-helixtrans-57.4-51175.7-48.60000111.4R43 K44 N48 M49 I50 Q100 I101R43-T46 WeakPolarHBondContact O-CB 3.36Å; R43-T46 PolarHBondContact O-N 2.63Å; K44-T46 PolarHBondContact O-N 3.03Å; T46-N48 VanDerWaalsContact C-N 3.33Å; T46-N48 PolarHBondContact O-N 3.03Å; T46-M49 PolarHBondContact O-N 3.2Å; T46-I50 HydrophobicContact CG2-CD1 3.99Å; T46-I50 WeakPolarHBondContact O-CG1 3.35Å; T46-I50 PolarHBondContact O-N 3.04Å; T46-Q100 HydrophobicContact CG2-CB 3.76Å; T46-Q100 HydrophobicContact CG2-CG 4.5Å; T46-Q100 PolarHBondContact OG1-OE1 2.82Å; T46-I101 HydrophobicContact CG2-CD1 4.42Å
47I94.8Very high95.1Very high12 Ų1236.4 Ų36.46%0.06218%0.18CC..Hα-helixtrans-60.8-44.6-178.4-66176.4000111.2M1 V4 I5 I42 R43 K44 P45 I50 K51M1-I47 HydrophobicContact CB-CG2 3.93Å; M1-I47 HydrophobicContact CG-CG2 4.42Å; M1-I47 HydrophobicContact SD-CG2 3.66Å; V4-I47 HydrophobicContact CG2-CD1 3.71Å; I5-I47 HydrophobicContact CG1-CD1 3.65Å; I42-I47 HydrophobicContact CG2-CD1 3.61Å; I42-I47 HydrophobicContact CG2-CG1 3.55Å; R43-I47 PolarHBondContact O-N 2.95Å; K44-I47 PolarHBondContact O-N 3.28Å; P45-I47 PolarHBondContact O-N 3.05Å; I47-I50 PolarHBondContact O-N 2.69Å; I47-K51 HydrophobicContact CG2-CD 4.37Å; I47-K51 WeakPolarHBondContact O-CG 3.16Å; I47-K51 PolarHBondContact O-N 3.35Å
48N95.3Very high94.9Very high64 Ų6438.1 Ų38.134%0.34219%0.19SC..Hα-helixtrans-64.7-45.5-178.9-72.8-10000111K44 P45 T46 I50 K51 D52K44-N48 PolarHBondContact O-N 2.89Å; P45-N48 PolarHBondContact O-N 2.69Å; T46-N48 VanDerWaalsContact C-N 3.33Å; T46-N48 PolarHBondContact O-N 3.03Å; N48-I50 PolarHBondContact O-N 3.13Å; N48-K51 WeakPolarHBondContact O-CB 3.34Å; N48-K51 PolarHBondContact O-N 3.32Å; N48-D52 VanDerWaalsContact O-CG 3.26Å; N48-D52 PolarHBondContact O-N 3.16Å
49M96Very high94.5Very high2 Ų242.5 Ų42.51%0.0121%0.213CC..Hα-helixtrans-60.6-44.1175.8-73.8-16971.400112.6P45 T46 K51 D52 V53 F84 L86 I97 I101 V282 V318P45-M49 WeakPolarHBondContact O-CB 3.36Å; P45-M49 WeakPolarHBondContact O-CG 3.07Å; P45-M49 PolarHBondContact O-N 3.34Å; T46-M49 PolarHBondContact O-N 3.2Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 3.29Å; M49-D52 PolarHBondContact O-N 3.48Å; M49-V53 WeakPolarHBondContact O-CB 3.38Å; M49-V53 VanDerWaalsContact O-CG2 3.24Å; M49-V53 WeakPolarHBondContact O-CG2 3.35Å; M49-V53 PolarHBondContact O-N 2.62Å; M49-F84 HydrophobicContact CE-CB 3.8Å; M49-F84 HydrophobicContact CE-CD1 4Å; M49-F84 HydrophobicContact CE-CG 3.86Å; M49-L86 HydrophobicContact CE-CD1 3.83Å; M49-L86 HydrophobicContact CE-CG 4.47Å; M49-L86 HydrophobicContact SD-CD1 3.83Å; M49-L86 HydrophobicContact SD-CD2 3.79Å; M49-L86 HydrophobicContact SD-CG 3.87Å; M49-I97 HydrophobicContact SD-CG2 4.28Å; M49-I101 HydrophobicContact CB-CD1 3.78Å; M49-I101 HydrophobicContact CB-CG1 4.47Å; M49-V282 HydrophobicContact CE-CG1 3.75Å; M49-V282 HydrophobicContact CE-CG2 4.05Å; M49-V318 HydrophobicContact CG-CG1 4.03Å; M49-V318 HydrophobicContact CG-CG2 4.04Å; M49-V318 HydrophobicContact SD-CB 4.26Å; M49-V318 HydrophobicContact SD-CG1 3.87Å; M49-V318 HydrophobicContact SD-CG2 4.02Å
50I95.6Very high94.1Very high41 Ų4143.1 Ų43.121%0.2122%0.215CC..Hα-helixtrans-59.2-43.9176.7-69.2174.8000110.8T46 I47 N48 D52 V53 I54 I101 F104T46-I50 HydrophobicContact CG2-CD1 3.99Å; T46-I50 WeakPolarHBondContact O-CG1 3.35Å; T46-I50 PolarHBondContact O-N 3.04Å; I47-I50 PolarHBondContact O-N 2.69Å; N48-I50 PolarHBondContact O-N 3.13Å; I50-D52 PolarHBondContact O-N 2.98Å; I50-V53 PolarHBondContact O-N 2.89Å; I50-I54 HydrophobicContact CG2-CD1 3.8Å; I50-I54 HydrophobicContact CG2-CG1 4.48Å; I50-I54 VanDerWaalsContact O-CG1 3.25Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.4Å; I50-I101 HydrophobicContact CD1-CD1 4.29Å; I50-I101 HydrophobicContact CG1-CD1 3.45Å; I50-I101 VanDerWaalsContact CG1-CD1 3.45Å; I50-F104 HydrophobicContact CD1-CB 4.36Å; I50-F104 HydrophobicContact CD1-CG 4.44Å; I50-F104 HydrophobicContact CG1-CD1 4.5Å; I50-F104 HydrophobicContact CG1-CG 4.27Å; I50-F104 HydrophobicContact CG2-CD2 3.97Å; I50-F104 HydrophobicContact CG2-CE1 4.42Å; I50-F104 HydrophobicContact CG2-CE2 3.83Å; I50-F104 HydrophobicContact CG2-CG 4.34Å; I50-F104 HydrophobicContact CG2-CZ 4.07Å
51K95.5Very high93.5Very high68 Ų6847.8 Ų47.830%0.29624%0.235SC..Hα-helixtrans-59.5-47.4175.4-72.2171-175.41700111.7M1 I47 N48 M49 I54 N55M1-K51 HydrophobicContact CE-CD 4.04Å; M1-K51 HydrophobicContact CE-CG 3.5Å; M1-K51 HydrophobicContact SD-CD 4.05Å; M1-K51 WeakPolarHBondContact SD-CE 3.39Å; M1-K51 HydrophobicContact SD-CG 3.8Å; I47-K51 HydrophobicContact CG2-CD 4.37Å; I47-K51 WeakPolarHBondContact O-CG 3.16Å; I47-K51 PolarHBondContact O-N 3.35Å; N48-K51 WeakPolarHBondContact O-CB 3.34Å; N48-K51 PolarHBondContact O-N 3.32Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 3.29Å; K51-I54 PolarHBondContact O-N 3.29Å; K51-N55 WeakPolarHBondContact O-CB 3.32Å; K51-N55 VanDerWaalsContact O-CG 3.27Å; K51-N55 PolarHBondContact O-N 2.85Å; K51-N55 PolarHBondContact O-ND2 3.21Å
52D95.3Very high92.9Very high68 Ų6851.8 Ų51.836%0.36425%0.253SS..Hα-helixtrans-63.8-44.1-178-66.1-21000110.7N48 M49 I50 I54 N55 I56 F84N48-D52 VanDerWaalsContact O-CG 3.26Å; N48-D52 PolarHBondContact O-N 3.16Å; M49-D52 PolarHBondContact O-N 3.48Å; I50-D52 PolarHBondContact O-N 2.98Å; D52-I54 PolarHBondContact O-N 3.31Å; D52-N55 PolarHBondContact O-N 3.36Å; D52-I56 WeakPolarHBondContact O-CB 3.33Å; D52-I56 WeakPolarHBondContact O-CD1 3.29Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.33Å; D52-I56 PolarHBondContact O-N 2.83Å; D52-F84 HydrophobicContact CB-CE1 4.21Å; D52-F84 HydrophobicContact CB-CZ 4.05Å
53V94.4Very high92.3Very high4 Ų451.3 Ų51.32%0.02425%0.253CS..Hα-helixtrans-60.9-42.1176173.20000111.6M49 I50 R57 F84 F104 W110 V280M49-V53 WeakPolarHBondContact O-CB 3.38Å; M49-V53 VanDerWaalsContact O-CG2 3.24Å; M49-V53 WeakPolarHBondContact O-CG2 3.35Å; M49-V53 PolarHBondContact O-N 2.62Å; I50-V53 PolarHBondContact O-N 2.89Å; V53-R57 WeakPolarHBondContact O-CB 3.29Å; V53-R57 PolarHBondContact O-N 3.46Å; V53-F84 HydrophobicContact CG2-CE2 4.41Å; V53-F104 HydrophobicContact CG1-CE1 3.98Å; V53-W110 HydrophobicContact CG1-CH2 3.58Å; V53-W110 HydrophobicContact CG1-CZ2 3.87Å; V53-W110 HydrophobicContact CG1-CZ3 4.32Å; V53-V280 HydrophobicContact CG1-CG1 4.48Å; V53-V280 HydrophobicContact CG1-CG2 4.42Å; V53-V280 HydrophobicContact CG2-CG1 4.36Å; V53-V280 HydrophobicContact CG2-CG2 4.17Å
54I94.5Very high91.3Very high66 Ų6652.2 Ų52.234%0.33826%0.257SS..Hα-helixtrans-62.1-46.1175-70.2166.7000110.8I50 K51 D52 R57 N58 F104I50-I54 HydrophobicContact CG2-CD1 3.8Å; I50-I54 HydrophobicContact CG2-CG1 4.48Å; I50-I54 VanDerWaalsContact O-CG1 3.25Å; I50-I54 WeakPolarHBondContact O-CG1 3.37Å; I50-I54 PolarHBondContact O-N 3.4Å; K51-I54 PolarHBondContact O-N 3.29Å; D52-I54 PolarHBondContact O-N 3.31Å; I54-R57 WeakPolarHBondContact O-CB 3.36Å; I54-R57 PolarHBondContact O-N 3.36Å; I54-N58 PolarHBondContact O-N 2.97Å; I54-N58 VanDerWaalsContact O-N 3.08Å; I54-N58 PolarHBondContact O-ND2 2.95Å; I54-F104 HydrophobicContact CD1-CE2 4.13Å; I54-F104 HydrophobicContact CD1-CZ 3.93Å; I54-F104 HydrophobicContact CG1-CE1 4.42Å; I54-F104 HydrophobicContact CG1-CE2 4.29Å; I54-F104 HydrophobicContact CG1-CZ 3.58Å
55N93.8Very high90.3Very high92 Ų9255.1 Ų55.149%0.49227%0.27SS..Hα-helixtrans-63.1-46.4179-71.6-22.8000111.6K51 D52 R57 N58 L59K51-N55 WeakPolarHBondContact O-CB 3.32Å; K51-N55 VanDerWaalsContact O-CG 3.27Å; K51-N55 PolarHBondContact O-N 2.85Å; K51-N55 PolarHBondContact O-ND2 3.21Å; D52-N55 PolarHBondContact O-N 3.36Å; N55-R57 VanDerWaalsContact C-N 3.3Å; N55-R57 PolarHBondContact O-N 3.18Å; N55-N58 WeakPolarHBondContact O-CB 3.46Å; N55-N58 PolarHBondContact O-N 3.33Å; N55-N58 VanDerWaalsContact O-N 3.14Å; N55-L59 WeakPolarHBondContact O-CG 3.32Å; N55-L59 PolarHBondContact O-N 3.34Å
56I91.9Very high89.2Confident27 Ų2762.1 Ų62.114%0.13830%0.299CS..Hα-helixtrans-56.7-46.1175.2-72.8157.4000110.3D52 N58 L59 Q60 P82 F84 V280D52-I56 WeakPolarHBondContact O-CB 3.33Å; D52-I56 WeakPolarHBondContact O-CD1 3.29Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.33Å; D52-I56 PolarHBondContact O-N 2.83Å; I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.17Å; I56-L59 PolarHBondContact O-N 2.95Å; I56-Q60 HydrophobicContact CG2-CG 4.16Å; I56-Q60 WeakPolarHBondContact O-CB 3.28Å; I56-Q60 VanDerWaalsContact O-CG 3.29Å; I56-Q60 WeakPolarHBondContact O-CG 3.45Å; I56-Q60 PolarHBondContact O-N 3.19Å; I56-P82 HydrophobicContact CD1-CB 4.24Å; I56-P82 HydrophobicContact CD1-CG 3.51Å; I56-P82 HydrophobicContact CG1-CG 4.06Å; I56-P82 HydrophobicContact CG2-CG 3.79Å; I56-F84 HydrophobicContact CD1-CE2 3.79Å; I56-F84 HydrophobicContact CD1-CZ 3.56Å; I56-V280 HydrophobicContact CD1-CG1 4.32Å; I56-V280 HydrophobicContact CG2-CG1 3.96Å
57R89.8Confident87.8Confident47 Ų4764.6 Ų64.618%0.17731%0.31CS..Hα-helixtrans-58.9-41.1178.1-169.9-167.8-168.4176.24.9111.8V53 I54 N55 K61 E108 W110V53-R57 WeakPolarHBondContact O-CB 3.29Å; V53-R57 PolarHBondContact O-N 3.46Å; I54-R57 WeakPolarHBondContact O-CB 3.36Å; I54-R57 PolarHBondContact O-N 3.36Å; N55-R57 VanDerWaalsContact C-N 3.3Å; N55-R57 PolarHBondContact O-N 3.18Å; R57-K61 WeakPolarHBondContact O-CG 3.1Å; R57-K61 PolarHBondContact O-N 2.89Å; R57-E108 IonicContact CZ-OE2 2.76Å; R57-E108 IonicContact NH1-OE2 3.72Å; R57-E108 PolarHBondContact NH1-OE2 3.08Å; R57-E108 PolarHBondContact NH2-O 2.84Å; R57-E108 IonicContact NH2-OE2 2.69Å; R57-W110 HydrophobicContact CB-CZ2 4.14Å; R57-W110 HydrophobicContact CG-CZ2 4.02Å
58N90.1Very high86Confident75 Ų7569.1 Ų69.140%0.40134%0.34SS..Hα-helixtrans-65.5-46.7177.9-68.3-24.2000111.2I54 N55 I56 Q60 K61 E62I54-N58 PolarHBondContact O-N 2.97Å; I54-N58 VanDerWaalsContact O-N 3.08Å; I54-N58 PolarHBondContact O-ND2 2.95Å; N55-N58 WeakPolarHBondContact O-CB 3.46Å; N55-N58 PolarHBondContact O-N 3.33Å; N55-N58 VanDerWaalsContact O-N 3.14Å; I56-N58 VanDerWaalsContact C-N 3.29Å; I56-N58 PolarHBondContact O-N 3.17Å; N58-Q60 VanDerWaalsContact C-N 3.34Å; N58-Q60 PolarHBondContact O-N 3.21Å; N58-K61 PolarHBondContact O-N 3.48Å; N58-E62 WeakPolarHBondContact O-CG 3.42Å; N58-E62 PolarHBondContact O-N 3.45Å
59L89.2Confident84.2Confident114 Ų11474.1 Ų74.160%0.59737%0.367SS*.Hα-helixtrans-60.3-42.2176.1-67.4172.4000112.2N55 I56 E62 S63N55-L59 WeakPolarHBondContact O-CG 3.32Å; N55-L59 PolarHBondContact O-N 3.34Å; I56-L59 PolarHBondContact O-N 2.95Å; L59-E62 PolarHBondContact O-N 3.32Å; L59-S63 PolarHBondContact O-N 3.38Å
60Q89.3Confident81.9Confident19 Ų1978.5 Ų78.59%0.08940%0.397CS..Hα-helixtrans-62.2-45.2177.1-77.4175.3-10.900111.7I56 N58 E62 S63 R277 G279I56-Q60 HydrophobicContact CG2-CG 4.16Å; I56-Q60 WeakPolarHBondContact O-CB 3.28Å; I56-Q60 VanDerWaalsContact O-CG 3.29Å; I56-Q60 WeakPolarHBondContact O-CG 3.45Å; I56-Q60 PolarHBondContact O-N 3.19Å; N58-Q60 VanDerWaalsContact C-N 3.34Å; N58-Q60 PolarHBondContact O-N 3.21Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 3.4Å; Q60-S63 WeakPolarHBondContact O-CB 3.34Å; Q60-S63 PolarHBondContact O-N 2.73Å; Q60-S63 PolarHBondContact O-OG 3.32Å; Q60-R277 WeakPolarHBondContact CG-O 3.43Å; Q60-R277 PolarHBondContact NE2-O 2.71Å; Q60-R277 VanDerWaalsContact NE2-O 3.11Å; Q60-G279 PolarHBondContact NE2-O 2.92Å
61K84.8Confident79.9Confident107 Ų10780.1 Ų80.147%0.46541%0.413SS..Hα-helixtrans-61.6-40175-75.4177.1178.9178.40112.7R57 N58 S63R57-K61 WeakPolarHBondContact O-CG 3.1Å; R57-K61 PolarHBondContact O-N 2.89Å; N58-K61 PolarHBondContact O-N 3.48Å; K61-S63 VanDerWaalsContact C-N 3.32Å
62E84.4Confident77.9Confident93 Ų9385.3 Ų85.344%0.43544%0.435SS..Hα-helixtrans-67.3-33.7176.4-73.4-178.8-173.400112.5N58 L59 Q60 F64 K65 K66N58-E62 WeakPolarHBondContact O-CG 3.42Å; N58-E62 PolarHBondContact O-N 3.45Å; L59-E62 PolarHBondContact O-N 3.32Å; Q60-E62 VanDerWaalsContact C-N 3.34Å; Q60-E62 PolarHBondContact O-N 3.4Å; E62-F64 PolarHBondContact O-N 3.13Å; E62-K65 PolarHBondContact O-N 2.99Å; E62-K65 VanDerWaalsContact O-N 3.08Å; E62-K66 PolarHBondContact O-N 3.24Å
63S80.8Confident75.7Confident23 Ų2390.3 Ų90.316%0.16145%0.454CS..Hα-helixtrans-57.2-39.1178.681.40000111.7L59 Q60 K61 K65 K66 R277L59-S63 PolarHBondContact O-N 3.38Å; Q60-S63 WeakPolarHBondContact O-CB 3.34Å; Q60-S63 PolarHBondContact O-N 2.73Å; Q60-S63 PolarHBondContact O-OG 3.32Å; K61-S63 VanDerWaalsContact C-N 3.32Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 3.46Å; S63-K66 PolarHBondContact O-N 3.43Å; S63-R277 PolarHBondContact O-NH2 2.93Å; S63-R277 PolarHBondContact OG-NE 2.86Å; S63-R277 PolarHBondContact OG-NH2 3Å
64F74.6Confident73.5Confident34 Ų3494.5 Ų94.515%0.14948%0.479CS..Hα-helixtrans-67.3-29.2179.3-84.6-79.2000113.3E62 K66 S224 P226 R277 H278E62-F64 PolarHBondContact O-N 3.13Å; F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 PolarHBondContact O-N 2.84Å; F64-S224 WeakPolarHBondContact CZ-O 3.34Å; F64-P226 HydrophobicContact CD1-CB 3.58Å; F64-P226 HydrophobicContact CD1-CG 3.67Å; F64-P226 HydrophobicContact CE1-CB 3.76Å; F64-P226 HydrophobicContact CE1-CG 3.59Å; F64-P226 HydrophobicContact CG-CB 4.36Å; F64-R277 VanDerWaalsContact CA-NH2 3.31Å; F64-R277 VanDerWaalsContact CD1-CZ 3.42Å; F64-R277 VanDerWaalsContact CD1-NH1 3.26Å; F64-R277 VanDerWaalsContact CE1-CZ 3.48Å; F64-R277 HydrophobicContact CE2-CB 4.3Å; F64-R277 HydrophobicContact CE2-CG 3.6Å; F64-R277 HydrophobicContact CZ-CB 4.25Å; F64-R277 HydrophobicContact CZ-CG 3.89Å; F64-R277 VanDerWaalsContact CZ-NE 3.34Å; F64-R277 VanDerWaalsContact N-NH2 3.16Å; F64-H278 AromaticContact CD2-CD2 3.93Å; F64-H278 AromaticContact CD2-CE1 3.58Å; F64-H278 AromaticContact CD2-NE2 3.08Å; F64-H278 WeakPolarHBondContact CD2-NE2 3.18Å; F64-H278 AromaticContact CE2-CD2 3.35Å; F64-H278 WeakPolarHBondContact CE2-CD2 3.24Å; F64-H278 AromaticContact CE2-CE1 3.2Å; F64-H278 WeakPolarHBondContact CE2-CE1 3.4Å; F64-H278 AromaticContact CE2-CG 3.95Å; F64-H278 AromaticContact CE2-ND1 3.87Å; F64-H278 AromaticContact CE2-NE2 2.87Å; F64-H278 WeakPolarHBondContact CE2-NE2 2.85Å; F64-H278 AromaticContact CZ-CE1 3.89Å; F64-H278 AromaticContact CZ-NE2 3.96Å
65K76.2Confident71.5Confident181 Ų18192.3 Ų92.379%0.78747%0.471SS*.Hα-helixtrans-73.9-21.1178.4-62.2-179-179.8178.90112.9E62 S63E62-K65 PolarHBondContact O-N 2.99Å; E62-K65 VanDerWaalsContact O-N 3.08Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 3.46Å
66K71.2Confident69.6Low163 Ų16389.8 Ų89.871%0.70946%0.457SS*.THydrogen-bonded Turntrans-91.3-10.9-175-68.3178.2-178.6172.70113.3E62 S63 F64E62-K66 PolarHBondContact O-N 3.24Å; S63-K66 PolarHBondContact O-N 3.43Å; F64-K66 VanDerWaalsContact C-N 3.28Å; F64-K66 PolarHBondContact O-N 2.84Å
67E67.7Low67.7Low57 Ų5793 Ų9327%0.26649%0.489SS..SBendtrans-102.3124.3-178.5-70.7-169.8134.700111.5Y79 R277E67-Y79 WeakPolarHBondContact OE1-CE2 3.43Å; E67-Y79 PolarHBondContact OE1-OH 2.81Å; E67-Y79 PolarHBondContact OE2-OH 3.11Å; E67-R277 IonicContact OE2-CZ 2.9Å; E67-R277 IonicContact OE2-NH1 2.89Å; E67-R277 PolarHBondContact OE2-NH1 3.33Å; E67-R277 IonicContact OE2-NH2 3.17Å; E67-R277 PolarHBondContact OE2-NH2 3.03Å
68P57Low66.6Low107 Ų10799.5 Ų99.570%0.69551%0.513SS*.  trans-66.9145.6168.326.4-30.1000110.5S70P68-S70 PolarHBondContact O-N 3.36Å
69D55.9Low65.9Low169 Ų16998.8 Ų98.890%0.90451%0.505SS*.SBendtrans-55.611.1-169.2-79.2-45.3000118.3
70S48.7Very low65.8Low93 Ų9397 Ų9765%0.6550%0.501SS*.  trans-110.683.3-169.263.70000114P68P68-S70 PolarHBondContact O-N 3.36Å
71S53Low66Low76 Ų7696.1 Ų96.153%0.53150%0.497SS..  trans144.691.7143.160.90000113F73S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.28Å
72K53.3Low66.4Low176 Ų17692.6 Ų92.677%0.76549%0.485SS*.THydrogen-bonded Turntrans-62.4-24-173.4-70.6-179.1177.2178.20116
73F49.7Very low67Low174 Ų17488.9 Ų88.976%0.76347%0.467SS*.THydrogen-bonded Turntrans-101.1-32.1-171.9-76.1-82.3000114.8S71 A75S71-F73 VanDerWaalsContact C-N 3.3Å; S71-F73 PolarHBondContact O-N 3.28Å; F73-A75 PolarHBondContact O-N 3.4Å
74V47.6Very low67.9Low91 Ų9187.8 Ų87.855%0.55246%0.46SS*.THydrogen-bonded Turntrans-71.6-19.2176.7-177.60000111
75A52.8Low69Low21 Ų2186.2 Ų86.217%0.17445%0.453CS..THydrogen-bonded Turntrans-68.9-34.2-178.400000114.1F73 A77 R78 Y79F73-A75 PolarHBondContact O-N 3.4Å; A75-A77 VanDerWaalsContact C-N 3.34Å; A75-A77 PolarHBondContact O-N 3.35Å; A75-R78 PolarHBondContact O-N 3.08Å; A75-R78 VanDerWaalsContact O-N 3.13Å; A75-Y79 VanDerWaalsContact O-CD2 3.24Å; A75-Y79 WeakPolarHBondContact O-CD2 3.15Å
76L53Low70Confident38 Ų3877.6 Ų77.620%0.19942%0.415CS..G310 helixtrans-61.4-40.3-174.1-73.8169.4000112.8R78 Y79 L221 S224L76-R78 PolarHBondContact O-N 3.31Å; L76-Y79 PolarHBondContact O-N 2.94Å; L76-L221 HydrophobicContact CD1-CD2 4.46Å; L76-S224 WeakPolarHBondContact CD2-OG 3.38Å
77A52.5Low71.3Confident96 Ų9671 Ų7179%0.79339%0.387SS*.G310 helixtrans-71.3-16-178.700000113.7A75A75-A77 VanDerWaalsContact C-N 3.34Å; A75-A77 PolarHBondContact O-N 3.35Å
78R67.8Low72.7Confident183 Ų18368.7 Ų68.769%0.69138%0.378SS*.G310 helixtrans-84.8-20.1179-68-176.2174.4-174.9-2.3113A75 L76A75-R78 PolarHBondContact O-N 3.08Å; A75-R78 VanDerWaalsContact O-N 3.13Å; L76-R78 PolarHBondContact O-N 3.31Å
79Y74.8Confident74.5Confident59 Ų5967.3 Ų67.323%0.23136%0.363CS..  trans-116.2128.1-173.8-65.2-66.4000109.9E67 A75 L76 R277E67-Y79 WeakPolarHBondContact OE1-CE2 3.43Å; E67-Y79 PolarHBondContact OE1-OH 2.81Å; E67-Y79 PolarHBondContact OE2-OH 3.11Å; A75-Y79 VanDerWaalsContact O-CD2 3.24Å; A75-Y79 WeakPolarHBondContact O-CD2 3.15Å; L76-Y79 PolarHBondContact O-N 2.94Å; Y79-R277 HydrophobicContact CD1-CG 4.36Å; Y79-R277 HydrophobicContact CD2-CG 4.19Å; Y79-R277 HydrophobicContact CG-CG 3.96Å; Y79-R277 PolarHBondContact OH-NH2 2.93Å
80C86.1Confident76.4Confident76 Ų7662.9 Ų62.951%0.51434%0.343SS..  trans-123.7130.2170.5-1710000108G274C80-G274 CarbonylContact C-O 3.51Å; C80-G274 WeakPolarHBondContact CA-O 3.37Å; C80-G274 PolarHBondContact SG-O 2.96Å
81V93.3Very high78.6Confident1 Ų159.6 Ų59.61%0.00632%0.324CS..PPolyproline II helixtrans-68.3141.2169.1-710000109.7G274 W276 G279 I281V81-G274 WeakPolarHBondContact CG2-O 3.45Å; V81-G274 PolarHBondContact N-O 3.32Å; V81-W276 HydrophobicContact CG1-CG 4.09Å; V81-W276 VanDerWaalsContact CG1-NE1 3.31Å; V81-W276 WeakPolarHBondContact CG1-O 3.37Å; V81-W276 HydrophobicContact CG2-CD2 4Å; V81-W276 VanDerWaalsContact CG2-CE2 3.43Å; V81-W276 HydrophobicContact CG2-CG 4.31Å; V81-W276 HydrophobicContact CG2-CZ2 3.85Å; V81-W276 VanDerWaalsContact CG2-NE1 3.29Å; V81-W276 PolarHBondContact N-O 2.98Å; V81-G279 VanDerWaalsContact CG1-O 3.26Å; V81-G279 WeakPolarHBondContact CG1-O 3.17Å; V81-I281 HydrophobicContact CG2-CD1 3.7Å; V81-I281 HydrophobicContact CG2-CG1 3.76Å
82P94.8Very high80.6Confident33 Ų3356.1 Ų56.121%0.21430%0.299CS..PPolyproline II helixtrans-66142.6177.825.8-31000110.5I56 F84 V280 I281 I316I56-P82 HydrophobicContact CD1-CB 4.24Å; I56-P82 HydrophobicContact CD1-CG 3.51Å; I56-P82 HydrophobicContact CG1-CG 4.06Å; I56-P82 HydrophobicContact CG2-CG 3.79Å; P82-F84 HydrophobicContact CB-CE2 4.41Å; P82-F84 HydrophobicContact CG-CE2 4.38Å; P82-V280 HydrophobicContact CG-CG1 4.03Å; P82-I281 PolarHBondContact O-N 3.24Å; P82-I316 HydrophobicContact CB-CD1 4.26Å
83R97.2Very high82.7Confident16 Ų1648.7 Ų48.76%0.0627%0.273CS..EExtended strand (participates in β ladder)trans-103.2123174.6-68.1-179.7-77.2-112.92.8109.3L272 R273 I281 M312 D313 P314 F315 I316R83-L272 WeakPolarHBondContact CD-O 3.46Å; R83-L272 PolarHBondContact NH1-O 2.67Å; R83-R273 PolarHBondContact NH1-O 2.9Å; R83-I281 CarbonylContact C-O 3.51Å; R83-I281 WeakPolarHBondContact CA-O 3.28Å; R83-I281 HydrophobicContact CB-CB 4.48Å; R83-I281 HydrophobicContact CG-CB 3.95Å; R83-I281 HydrophobicContact CG-CD1 3.86Å; R83-I281 HydrophobicContact CG-CG1 4.48Å; R83-I281 HydrophobicContact CG-CG2 4.08Å; R83-M312 PolarHBondContact NE-O 2.63Å; R83-M312 PolarHBondContact NH2-O 2.96Å; R83-D313 PolarHBondContact NH2-O 3.34Å; R83-P314 PolarHBondContact NE-O 3Å; R83-P314 PolarHBondContact NH2-O 3.11Å; R83-F315 HydrophobicContact CB-CB 3.89Å; R83-F315 CarbonylContact O-C 3.47Å; R83-F315 VanDerWaalsContact O-CA 3.29Å; R83-F315 WeakPolarHBondContact O-CA 3.29Å; R83-F315 WeakPolarHBondContact O-CB 3.48Å; R83-I316 PolarHBondContact O-N 2.83Å
84F98.1Very high84.9Confident0 Ų041.2 Ų41.20%024%0.241CC..EExtended strand (participates in β ladder)trans-99.4139.9168.2-64.6-94.1000109.3M49 D52 V53 I56 P82 V280 I281 V282 T283 I316 V318M49-F84 HydrophobicContact CE-CB 3.8Å; M49-F84 HydrophobicContact CE-CD1 4Å; M49-F84 HydrophobicContact CE-CG 3.86Å; D52-F84 HydrophobicContact CB-CE1 4.21Å; D52-F84 HydrophobicContact CB-CZ 4.05Å; V53-F84 HydrophobicContact CG2-CE2 4.41Å; I56-F84 HydrophobicContact CD1-CE2 3.79Å; I56-F84 HydrophobicContact CD1-CZ 3.56Å; P82-F84 HydrophobicContact CB-CE2 4.41Å; P82-F84 HydrophobicContact CG-CE2 4.38Å; F84-V280 HydrophobicContact CE2-CB 4.36Å; F84-V280 HydrophobicContact CE2-CG1 4.32Å; F84-I281 PolarHBondContact N-O 2.78Å; F84-V282 HydrophobicContact CB-CG2 4.4Å; F84-V282 HydrophobicContact CD2-CG2 4.18Å; F84-T283 PolarHBondContact O-N 2.9Å; F84-T283 PolarHBondContact O-OG1 2.8Å; F84-I316 WeakPolarHBondContact CA-O 3.25Å; F84-I316 HydrophobicContact CD1-CB 3.81Å; F84-I316 HydrophobicContact CD1-CD1 4.11Å; F84-I316 HydrophobicContact CD1-CG2 3.85Å; F84-I316 HydrophobicContact CE1-CB 4.08Å; F84-I316 HydrophobicContact CE1-CD1 3.6Å; F84-I316 HydrophobicContact CE1-CG1 4.45Å; F84-I316 HydrophobicContact CE1-CG2 3.93Å; F84-I316 HydrophobicContact CE2-CD1 4.33Å; F84-I316 HydrophobicContact CG-CB 4.46Å; F84-I316 HydrophobicContact CZ-CD1 3.73Å; F84-V318 HydrophobicContact CD1-CG2 3.94Å
85V98.2Very high87.3Confident0 Ų038.6 Ų38.60%023%0.227CC..EExtended strand (participates in β ladder)trans-125.1101.5173.8-178.60000108.1T283 T285 P300 M312 F315 I316 V318V85-T283 CarbonylContact C-O 3.48Å; V85-T283 WeakPolarHBondContact CA-O 3.5Å; V85-T283 WeakPolarHBondContact CG2-OG1 3.47Å; V85-T285 HydrophobicContact CG1-CG2 3.85Å; V85-P300 HydrophobicContact CG1-CB 4.16Å; V85-P300 HydrophobicContact CG1-CG 3.97Å; V85-M312 HydrophobicContact CG2-CE 4.05Å; V85-F315 HydrophobicContact CB-CD2 3.56Å; V85-F315 HydrophobicContact CB-CE2 3.78Å; V85-F315 HydrophobicContact CB-CG 4.36Å; V85-F315 HydrophobicContact CG1-CE2 4.36Å; V85-F315 HydrophobicContact CG2-CB 3.87Å; V85-F315 HydrophobicContact CG2-CD1 4.31Å; V85-F315 HydrophobicContact CG2-CD2 3.26Å; V85-F315 HydrophobicContact CG2-CE2 3.79Å; V85-F315 HydrophobicContact CG2-CG 3.56Å; V85-F315 HydrophobicContact CG2-CZ 4.5Å; V85-I316 PolarHBondContact N-O 3.09Å; V85-V318 PolarHBondContact O-N 2.95Å
86L98.4Very high89.4Confident0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-72.7135.3170.2-67.398.4000110.2M49 V94 I97 L98 V282 T283 S284 T285 V318M49-L86 HydrophobicContact CE-CD1 3.83Å; M49-L86 HydrophobicContact CE-CG 4.47Å; M49-L86 HydrophobicContact SD-CD1 3.83Å; M49-L86 HydrophobicContact SD-CD2 3.79Å; M49-L86 HydrophobicContact SD-CG 3.87Å; L86-V94 HydrophobicContact CB-CG1 3.73Å; L86-V94 HydrophobicContact CD2-CG1 4.38Å; L86-I97 HydrophobicContact CD2-CB 3.78Å; L86-I97 HydrophobicContact CD2-CD1 4.02Å; L86-I97 HydrophobicContact CD2-CG2 3.48Å; L86-I97 VanDerWaalsContact CD2-CG2 3.48Å; L86-L98 HydrophobicContact CD1-CD2 3.68Å; L86-V282 HydrophobicContact CD1-CG1 3.52Å; L86-T283 VanDerWaalsContact CD1-O 3.27Å; L86-T283 WeakPolarHBondContact CD1-O 3.21Å; L86-T283 PolarHBondContact N-O 3.03Å; L86-S284 CarbonylContact O-C 3.55Å; L86-S284 WeakPolarHBondContact O-CA 3.33Å; L86-T285 PolarHBondContact O-N 3.36Å; L86-V318 CarbonylContact C-O 3.49Å; L86-V318 VanDerWaalsContact CA-O 3.28Å; L86-V318 WeakPolarHBondContact CA-O 3.32Å; L86-V318 HydrophobicContact CD2-CG1 4.46Å; L86-V318 HydrophobicContact CG-CB 4.15Å; L86-V318 HydrophobicContact CG-CG1 4.35Å
87H97.8Very high91.5Very high24 Ų2437.2 Ų37.211%0.11122%0.218CC..EExtended strand (participates in β ladder)trans-148.2158.9175.469.998.9000110.3T285 P300 V318 L319 A320H87-T285 VanDerWaalsContact CB-OG1 3.3Å; H87-T285 WeakPolarHBondContact CB-OG1 3.37Å; H87-P300 HydrophobicContact CB-CG 3.77Å; H87-P300 VanDerWaalsContact CG-CD 3.48Å; H87-V318 PolarHBondContact N-O 3.05Å; H87-L319 CarbonylContact O-C 3.54Å; H87-L319 WeakPolarHBondContact O-CA 3.32Å; H87-A320 PolarHBondContact O-N 2.96Å
88G96.6Very high93.7Very high9 Ų932.7 Ų32.79%0.09318%0.18CC..  trans176169.9-179.200000110Y298 A320G88-Y298 VanDerWaalsContact O-CB 3.29Å; G88-Y298 WeakPolarHBondContact O-CB 3.29Å; G88-Y298 WeakPolarHBondContact O-CD2 3.37Å; G88-A320 WeakPolarHBondContact CA-O 3.49Å
89Q95.4Very high95.1Very high79 Ų7924 Ų2437%0.36915%0.148SC..SBendtrans-57152.8171.6-72.6-179.7-16.400110.6G91 T92 Y298 N322Q89-G91 PolarHBondContact O-N 3.29Å; Q89-T92 HydrophobicContact CB-CG2 3.83Å; Q89-T92 WeakPolarHBondContact O-CB 3.37Å; Q89-T92 WeakPolarHBondContact O-CG2 3.48Å; Q89-T92 PolarHBondContact O-N 2.98Å; Q89-T92 PolarHBondContact O-OG1 3.15Å; Q89-Y298 HydrophobicContact CB-CD1 4.5Å; Q89-Y298 HydrophobicContact CG-CD1 3.77Å; Q89-Y298 HydrophobicContact CG-CE1 3.39Å; Q89-Y298 HydrophobicContact CG-CE2 4.39Å; Q89-Y298 HydrophobicContact CG-CG 4.42Å; Q89-N322 PolarHBondContact OE1-ND2 2.71Å
90P94.4Very high96.2Very high75 Ų7521.4 Ų21.449%0.48714%0.138SC..THydrogen-bonded Turntrans-52.6132.5173.9-25.836.4000110.8I287 N362P90-I287 HydrophobicContact CB-CG2 4.41Å; P90-I287 HydrophobicContact CG-CB 4.46Å; P90-I287 HydrophobicContact CG-CD1 4.3Å; P90-I287 HydrophobicContact CG-CG2 3.77Å; P90-N362 PolarHBondContact O-ND2 3.27Å
91G95.1Very high96.7Very high24 Ų2417.9 Ų17.925%0.24711%0.114CC..THydrogen-bonded Turntrans863.3178.700000116.3Q89 G93 P363 L364Q89-G91 PolarHBondContact O-N 3.29Å; G91-G93 PolarHBondContact O-N 3.05Å; G91-G93 VanDerWaalsContact O-N 3.15Å; G91-P363 VanDerWaalsContact O-CB 3.25Å; G91-P363 WeakPolarHBondContact O-CB 3.42Å; G91-P363 VanDerWaalsContact O-CD 3.25Å; G91-P363 WeakPolarHBondContact O-CD 3.21Å; G91-P363 WeakPolarHBondContact O-CG 3.47Å; G91-L364 VanDerWaalsContact CA-CB 3.48Å; G91-L364 PolarHBondContact O-N 3.34Å
92T96.7Very high96.9Very high3 Ų318 Ų182%0.01811%0.114CC..SBendtrans-71.3-1.2178.947.90000115.8R43 Q89 A320 N322R43-T92 PolarHBondContact NH1-O 3.31Å; Q89-T92 HydrophobicContact CB-CG2 3.83Å; Q89-T92 WeakPolarHBondContact O-CB 3.37Å; Q89-T92 WeakPolarHBondContact O-CG2 3.48Å; Q89-T92 PolarHBondContact O-N 2.98Å; Q89-T92 PolarHBondContact O-OG1 3.15Å; T92-A320 WeakPolarHBondContact CB-O 3.46Å; T92-A320 WeakPolarHBondContact CG2-O 3.46Å; T92-N322 VanDerWaalsContact CG2-OD1 3.31Å; T92-N322 WeakPolarHBondContact CG2-OD1 3.4Å
93G96Very high97Very high20 Ų2016.5 Ų16.521%0.20611%0.105CC..SBendtrans84.422.1178.900000115G91 S95 V96 I97G91-G93 PolarHBondContact O-N 3.05Å; G91-G93 VanDerWaalsContact O-N 3.15Å; G93-S95 VanDerWaalsContact C-N 3.3Å; G93-S95 PolarHBondContact O-N 2.85Å; G93-V96 WeakPolarHBondContact O-CB 3.34Å; G93-V96 PolarHBondContact O-N 2.94Å; G93-V96 VanDerWaalsContact O-N 3.09Å; G93-I97 PolarHBondContact O-N 3.05Å; G93-I97 VanDerWaalsContact O-N 3.15Å
94V97.4Very high97Very high17 Ų1717.3 Ų17.310%0.10311%0.109CC..Hα-helixtrans-52.4-46.4175.3172.40000112.1L86 V96 I97 L98 S284 A320L86-V94 HydrophobicContact CB-CG1 3.73Å; L86-V94 HydrophobicContact CD2-CG1 4.38Å; V94-V96 VanDerWaalsContact C-N 3.29Å; V94-V96 PolarHBondContact O-N 3.02Å; V94-I97 WeakPolarHBondContact O-CB 3.41Å; V94-I97 PolarHBondContact O-N 3.49Å; V94-I97 VanDerWaalsContact O-N 3.07Å; V94-L98 PolarHBondContact O-N 3.02Å; V94-S284 VanDerWaalsContact CG1-CB 3.42Å; V94-A320 HydrophobicContact CG2-CB 3.63Å
95S96.6Very high96.9Very high36 Ų3617.4 Ų17.425%0.25211%0.11SC..Hα-helixtrans-66.5-29.4179.9-48.20000112.9F23 G93 L98 G99 D236F23-S95 WeakPolarHBondContact CB-O 2.97Å; F23-S95 WeakPolarHBondContact O-CB 3.26Å; G93-S95 VanDerWaalsContact C-N 3.3Å; G93-S95 PolarHBondContact O-N 2.85Å; S95-L98 PolarHBondContact O-N 2.95Å; S95-G99 PolarHBondContact O-N 2.82Å; S95-D236 WeakPolarHBondContact CB-OD2 3.4Å; S95-D236 PolarHBondContact OG-OD2 3.44Å
96V97.1Very high96.8Very high30 Ų3018.3 Ų18.318%0.18212%0.119CC..Hα-helixtrans-63.6-43.9170.81780000110.2L24 L28 L40 G93 V94 L98 G99 Q100L24-V96 HydrophobicContact CD2-CB 4.4Å; L24-V96 HydrophobicContact CD2-CG2 3.77Å; L28-V96 HydrophobicContact CD2-CG2 4.01Å; L40-V96 HydrophobicContact CB-CG1 4.46Å; L40-V96 HydrophobicContact CD1-CG1 4.19Å; L40-V96 HydrophobicContact CD2-CG1 4.39Å; G93-V96 WeakPolarHBondContact O-CB 3.34Å; G93-V96 PolarHBondContact O-N 2.94Å; G93-V96 VanDerWaalsContact O-N 3.09Å; V94-V96 VanDerWaalsContact C-N 3.29Å; V94-V96 PolarHBondContact O-N 3.02Å; V96-L98 PolarHBondContact O-N 3.28Å; V96-G99 PolarHBondContact O-N 2.85Å; V96-Q100 HydrophobicContact CG1-CG 4.47Å; V96-Q100 WeakPolarHBondContact O-CG 3.47Å; V96-Q100 PolarHBondContact O-N 2.91Å
97I97.6Very high96.6Very high1 Ų123.7 Ų23.71%0.00514%0.139CC..Hα-helixtrans-62.6-44.3177-56.5166.1000110.3P45 M49 L86 G93 V94 G99 Q100 I101 A320P45-I97 HydrophobicContact CB-CD1 3.98Å; P45-I97 HydrophobicContact CG-CD1 3.59Å; M49-I97 HydrophobicContact SD-CG2 4.28Å; L86-I97 HydrophobicContact CD2-CB 3.78Å; L86-I97 HydrophobicContact CD2-CD1 4.02Å; L86-I97 HydrophobicContact CD2-CG2 3.48Å; L86-I97 VanDerWaalsContact CD2-CG2 3.48Å; G93-I97 PolarHBondContact O-N 3.05Å; G93-I97 VanDerWaalsContact O-N 3.15Å; V94-I97 WeakPolarHBondContact O-CB 3.41Å; V94-I97 PolarHBondContact O-N 3.49Å; V94-I97 VanDerWaalsContact O-N 3.07Å; I97-G99 VanDerWaalsContact C-N 3.35Å; I97-G99 PolarHBondContact O-N 3.23Å; I97-Q100 PolarHBondContact O-N 3.09Å; I97-I101 HydrophobicContact CG2-CG1 4.27Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 3.02Å; I97-A320 HydrophobicContact CD1-CB 3.87Å
98L98Very high96.5Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-57.4-45.7175.8-68.4178.6000112.2F23 L86 V94 S95 V96 I101 T102 V234 D236 V282F23-L98 HydrophobicContact CD1-CB 3.74Å; F23-L98 HydrophobicContact CD1-CD1 4.12Å; F23-L98 HydrophobicContact CE1-CB 3.93Å; F23-L98 HydrophobicContact CE1-CD1 4.31Å; F23-L98 HydrophobicContact CG-CB 4.25Å; L86-L98 HydrophobicContact CD1-CD2 3.68Å; V94-L98 PolarHBondContact O-N 3.02Å; S95-L98 PolarHBondContact O-N 2.95Å; V96-L98 PolarHBondContact O-N 3.28Å; L98-I101 PolarHBondContact O-N 3.14Å; L98-T102 WeakPolarHBondContact O-CB 3.43Å; L98-T102 PolarHBondContact O-N 3.23Å; L98-T102 PolarHBondContact O-OG1 3.03Å; L98-V234 HydrophobicContact CB-CG2 4.46Å; L98-V234 HydrophobicContact CD2-CG2 3.89Å; L98-D236 HydrophobicContact CD1-CB 3.59Å; L98-D236 VanDerWaalsContact CD1-CG 3.43Å; L98-V282 HydrophobicContact CD2-CG1 3.62Å
99G97.6Very high96.3Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-61.1-45.4175.200000112.5S95 V96 I97 I101 T102 C103S95-G99 PolarHBondContact O-N 2.82Å; V96-G99 PolarHBondContact O-N 2.85Å; I97-G99 VanDerWaalsContact C-N 3.35Å; I97-G99 PolarHBondContact O-N 3.23Å; G99-I101 PolarHBondContact O-N 3.08Å; G99-T102 PolarHBondContact O-N 3.22Å; G99-C103 WeakPolarHBondContact O-CB 3.29Å; G99-C103 PolarHBondContact O-N 3.28Å
100Q97.2Very high96.4Very high6 Ų629.3 Ų29.33%0.02816%0.16CC..Hα-helixtrans-62.6-41.6177.7-70.5-179.6-35.400112.6Y11 L40 L41 T46 V96 I97 T102 C103 F104Y11-Q100 WeakPolarHBondContact OH-CG 3.27Å; L40-Q100 HydrophobicContact CD1-CG 4.47Å; L41-Q100 PolarHBondContact O-NE2 3.08Å; L41-Q100 VanDerWaalsContact O-NE2 3.14Å; T46-Q100 HydrophobicContact CG2-CB 3.76Å; T46-Q100 HydrophobicContact CG2-CG 4.5Å; T46-Q100 PolarHBondContact OG1-OE1 2.82Å; V96-Q100 HydrophobicContact CG1-CG 4.47Å; V96-Q100 WeakPolarHBondContact O-CG 3.47Å; V96-Q100 PolarHBondContact O-N 2.91Å; I97-Q100 PolarHBondContact O-N 3.09Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; Q100-C103 PolarHBondContact O-N 3.36Å; Q100-F104 PolarHBondContact O-N 3.36Å
101I97.5Very high96.5Very high2 Ų225.7 Ų25.71%0.0114%0.137CC..Hα-helixtrans-65.9-39174.8-65-59.1000111.3T46 M49 I50 I97 L98 G99 F104 A105 L232 V282T46-I101 HydrophobicContact CG2-CD1 4.42Å; M49-I101 HydrophobicContact CB-CD1 3.78Å; M49-I101 HydrophobicContact CB-CG1 4.47Å; I50-I101 HydrophobicContact CD1-CD1 4.29Å; I50-I101 HydrophobicContact CG1-CD1 3.45Å; I50-I101 VanDerWaalsContact CG1-CD1 3.45Å; I97-I101 HydrophobicContact CG2-CG1 4.27Å; I97-I101 WeakPolarHBondContact O-CG1 3.49Å; I97-I101 PolarHBondContact O-N 3.02Å; L98-I101 PolarHBondContact O-N 3.14Å; G99-I101 PolarHBondContact O-N 3.08Å; I101-F104 WeakPolarHBondContact O-CB 3.48Å; I101-F104 PolarHBondContact O-N 3.49Å; I101-A105 PolarHBondContact O-N 3.45Å; I101-L232 HydrophobicContact CG2-CD2 4.36Å; I101-V282 HydrophobicContact CG2-CG2 4.35Å
102T97.7Very high96.7Very high2 Ų224.6 Ų24.61%0.01213%0.126CC..Hα-helixtrans-64.5-43.8176.9-59.90000111.3F19 F23 L98 G99 Q100 F104 A105 G106 I112F19-T102 HydrophobicContact CB-CG2 4.28Å; F19-T102 HydrophobicContact CD1-CG2 4.19Å; F23-T102 HydrophobicContact CE2-CG2 3.99Å; F23-T102 WeakPolarHBondContact CE2-OG1 3.39Å; F23-T102 HydrophobicContact CZ-CG2 4.47Å; F23-T102 WeakPolarHBondContact CZ-OG1 3.22Å; L98-T102 WeakPolarHBondContact O-CB 3.43Å; L98-T102 PolarHBondContact O-N 3.23Å; L98-T102 PolarHBondContact O-OG1 3.03Å; G99-T102 PolarHBondContact O-N 3.22Å; Q100-T102 VanDerWaalsContact C-N 3.35Å; T102-F104 PolarHBondContact O-N 3.3Å; T102-A105 PolarHBondContact O-N 2.83Å; T102-G106 PolarHBondContact O-N 2.95Å; T102-I112 HydrophobicContact CG2-CD1 4.03Å; T102-I112 HydrophobicContact CG2-CG2 3.88Å
103C97.3Very high96.7Very high2 Ų224.5 Ų24.51%0.01413%0.125CC..Hα-helixtrans-60.4-44.3174.1-178.20000111.7Y11 F19 I20 G99 Q100 A105 G106 R107Y11-C103 HydrophobicContact CE1-CB 4.3Å; Y11-C103 VanDerWaalsContact CE1-SG 3.59Å; F19-C103 HydrophobicContact CB-CB 3.81Å; F19-C103 HydrophobicContact CG-CB 4.35Å; I20-C103 HydrophobicContact CD1-CB 4.19Å; I20-C103 HydrophobicContact CG1-CB 4.03Å; G99-C103 WeakPolarHBondContact O-CB 3.29Å; G99-C103 PolarHBondContact O-N 3.28Å; Q100-C103 PolarHBondContact O-N 3.36Å; C103-A105 PolarHBondContact O-N 3.42Å; C103-G106 PolarHBondContact O-N 3.1Å; C103-R107 WeakPolarHBondContact O-CG 3.47Å; C103-R107 PolarHBondContact O-N 2.86Å
104F96.6Very high96.8Very high33 Ų3324 Ų2415%0.14512%0.118CC..Hα-helixtrans-57.3-48.7174.1167.5-98.9000112.1I50 V53 I54 Q100 I101 T102 G106 R107 E108I50-F104 HydrophobicContact CD1-CB 4.36Å; I50-F104 HydrophobicContact CD1-CG 4.44Å; I50-F104 HydrophobicContact CG1-CD1 4.5Å; I50-F104 HydrophobicContact CG1-CG 4.27Å; I50-F104 HydrophobicContact CG2-CD2 3.97Å; I50-F104 HydrophobicContact CG2-CE1 4.42Å; I50-F104 HydrophobicContact CG2-CE2 3.83Å; I50-F104 HydrophobicContact CG2-CG 4.34Å; I50-F104 HydrophobicContact CG2-CZ 4.07Å; V53-F104 HydrophobicContact CG1-CE1 3.98Å; I54-F104 HydrophobicContact CD1-CE2 4.13Å; I54-F104 HydrophobicContact CD1-CZ 3.93Å; I54-F104 HydrophobicContact CG1-CE1 4.42Å; I54-F104 HydrophobicContact CG1-CE2 4.29Å; I54-F104 HydrophobicContact CG1-CZ 3.58Å; Q100-F104 PolarHBondContact O-N 3.36Å; I101-F104 WeakPolarHBondContact O-CB 3.48Å; I101-F104 PolarHBondContact O-N 3.49Å; T102-F104 PolarHBondContact O-N 3.3Å; F104-G106 VanDerWaalsContact C-N 3.31Å; F104-G106 PolarHBondContact O-N 3.35Å; F104-R107 PolarHBondContact O-N 3.33Å; F104-E108 HydrophobicContact CD2-CG 4.26Å; F104-E108 HydrophobicContact CE1-CG 4.27Å; F104-E108 HydrophobicContact CE2-CG 3.72Å; F104-E108 HydrophobicContact CZ-CG 3.72Å; F104-E108 WeakPolarHBondContact O-CB 3.3Å; F104-E108 WeakPolarHBondContact O-CG 3.49Å; F104-E108 PolarHBondContact O-N 2.81Å
105A96.6Very high96.8Very high3 Ų323.6 Ų23.63%0.02512%0.115CC..Hα-helixtrans-62.8-37.717900000112.4I101 T102 C103 E108 K109 W110 I112 L232I101-A105 PolarHBondContact O-N 3.45Å; T102-A105 PolarHBondContact O-N 2.83Å; C103-A105 PolarHBondContact O-N 3.42Å; A105-E108 CarbonylContact O-C 3.56Å; A105-E108 PolarHBondContact O-N 3.32Å; A105-K109 PolarHBondContact O-N 3.2Å; A105-K109 VanDerWaalsContact O-N 3.15Å; A105-W110 HydrophobicContact CB-CB 4.04Å; A105-W110 HydrophobicContact CB-CD2 4.45Å; A105-W110 HydrophobicContact CB-CG 4.15Å; A105-W110 WeakPolarHBondContact O-CB 3.35Å; A105-W110 PolarHBondContact O-N 3.44Å; A105-I112 HydrophobicContact CB-CD1 4.44Å; A105-I112 HydrophobicContact CB-CG1 4.3Å; A105-L232 HydrophobicContact CB-CB 4.12Å; A105-L232 HydrophobicContact CB-CD2 3.49Å; A105-L232 VanDerWaalsContact CB-CD2 3.49Å; A105-L232 HydrophobicContact CB-CG 4.4Å
106G95.6Very high96.7Very high18 Ų1823.8 Ų23.819%0.18612%0.115CC..Hα-helixtrans-61.7-48.3175.700000112.2T102 C103 F104 E108 K109T102-G106 PolarHBondContact O-N 2.95Å; C103-G106 PolarHBondContact O-N 3.1Å; F104-G106 VanDerWaalsContact C-N 3.31Å; F104-G106 PolarHBondContact O-N 3.35Å; G106-E108 VanDerWaalsContact C-N 3.27Å; G106-E108 PolarHBondContact O-N 3.22Å; G106-K109 PolarHBondContact O-N 2.97Å
107R94.8Very high96.5Very high114 Ų11423.9 Ų23.943%0.4312%0.117SC..Hα-helixtrans-60.7-36.5175.1-71.2-178.5176.8175.23.1112.3E15 C103 F104 K109E15-R107 IonicContact OE1-NE 2.88Å; E15-R107 IonicContact OE2-CZ 3.92Å; E15-R107 IonicContact OE2-NE 3.75Å; E15-R107 PolarHBondContact OE2-NE 2.99Å; E15-R107 IonicContact OE2-NH2 2.67Å; E15-R107 PolarHBondContact OE2-NH2 3.39Å; C103-R107 WeakPolarHBondContact O-CG 3.47Å; C103-R107 PolarHBondContact O-N 2.86Å; F104-R107 PolarHBondContact O-N 3.33Å; R107-K109 PolarHBondContact O-N 3.27Å
108E94.1Very high96.3Very high80 Ų8023.9 Ų23.937%0.37412%0.117SC..THydrogen-bonded Turntrans-80.44.2177.2-72.7-61.9147.600114.5R57 F104 A105 G106 W110R57-E108 IonicContact CZ-OE2 2.76Å; R57-E108 IonicContact NH1-OE2 3.72Å; R57-E108 PolarHBondContact NH1-OE2 3.08Å; R57-E108 PolarHBondContact NH2-O 2.84Å; R57-E108 IonicContact NH2-OE2 2.69Å; F104-E108 HydrophobicContact CD2-CG 4.26Å; F104-E108 HydrophobicContact CE1-CG 4.27Å; F104-E108 HydrophobicContact CE2-CG 3.72Å; F104-E108 HydrophobicContact CZ-CG 3.72Å; F104-E108 WeakPolarHBondContact O-CB 3.3Å; F104-E108 WeakPolarHBondContact O-CG 3.49Å; F104-E108 PolarHBondContact O-N 2.81Å; A105-E108 CarbonylContact O-C 3.56Å; A105-E108 PolarHBondContact O-N 3.32Å; G106-E108 VanDerWaalsContact C-N 3.27Å; G106-E108 PolarHBondContact O-N 3.22Å; E108-W110 VanDerWaalsContact CB-CD1 3.47Å
109K93.9Very high96.1Very high143 Ų14325.5 Ų25.562%0.62212%0.124SC*.THydrogen-bonded Turntrans61.344.8177.5-53.5175.9-176.4174.90113.3A105 G106 R107 L168A105-K109 PolarHBondContact O-N 3.2Å; A105-K109 VanDerWaalsContact O-N 3.15Å; G106-K109 PolarHBondContact O-N 2.97Å; R107-K109 PolarHBondContact O-N 3.27Å; K109-L168 WeakPolarHBondContact O-CD2 3.5Å
110W96.2Very high95.8Very high6 Ų628.5 Ų28.52%0.02314%0.14CC..  trans-85.5151.5170.2-66.144.4000109.7V53 R57 A105 E108 L168 P230 L232 V280V53-W110 HydrophobicContact CG1-CH2 3.58Å; V53-W110 HydrophobicContact CG1-CZ2 3.87Å; V53-W110 HydrophobicContact CG1-CZ3 4.32Å; R57-W110 HydrophobicContact CB-CZ2 4.14Å; R57-W110 HydrophobicContact CG-CZ2 4.02Å; A105-W110 HydrophobicContact CB-CB 4.04Å; A105-W110 HydrophobicContact CB-CD2 4.45Å; A105-W110 HydrophobicContact CB-CG 4.15Å; A105-W110 WeakPolarHBondContact O-CB 3.35Å; A105-W110 PolarHBondContact O-N 3.44Å; E108-W110 VanDerWaalsContact CB-CD1 3.47Å; W110-L168 VanDerWaalsContact C-CD2 3.47Å; W110-P230 CarbonylContact C-O 3.54Å; W110-P230 WeakPolarHBondContact CA-O 3.49Å; W110-P230 HydrophobicContact CB-CG 4.29Å; W110-P230 WeakPolarHBondContact CB-O 3.45Å; W110-P230 HydrophobicContact CD2-CB 3.57Å; W110-P230 HydrophobicContact CD2-CG 3.66Å; W110-P230 HydrophobicContact CE3-CB 3.79Å; W110-P230 HydrophobicContact CE3-CG 4.38Å; W110-P230 HydrophobicContact CG-CB 4.02Å; W110-P230 HydrophobicContact CG-CG 3.59Å; W110-P230 HydrophobicContact CH2-CB 4.24Å; W110-P230 HydrophobicContact CZ2-CB 4.08Å; W110-P230 HydrophobicContact CZ2-CG 4.44Å; W110-P230 HydrophobicContact CZ3-CB 4.11Å; W110-L232 HydrophobicContact CE3-CB 4.16Å; W110-V280 HydrophobicContact CH2-CG1 4.39Å; W110-V280 HydrophobicContact CH2-CG2 4.5Å; W110-V280 HydrophobicContact CZ3-CG1 4.38Å; W110-V280 HydrophobicContact CZ3-CG2 3.92Å
111I97.3Very high95.6Very high0 Ų029.4 Ų29.40%014%0.144CC..EExtended strand (participates in β ladder)trans-78.5125.7165.5-52.7175.8000107.4F113 F161 N165 L168 I172 W194 L222 P229 P230 C231 L232I111-F113 HydrophobicContact CB-CE2 4.33Å; I111-F113 HydrophobicContact CG2-CD2 4.06Å; I111-F113 HydrophobicContact CG2-CE2 3.46Å; I111-F113 VanDerWaalsContact CG2-CE2 3.46Å; I111-F113 HydrophobicContact CG2-CZ 4.23Å; I111-F161 HydrophobicContact CG2-CE2 4.32Å; I111-F161 HydrophobicContact CG2-CZ 4.21Å; I111-N165 WeakPolarHBondContact CA-OD1 3.15Å; I111-L168 HydrophobicContact CB-CD2 4.22Å; I111-L168 HydrophobicContact CG1-CD2 3.37Å; I111-L168 HydrophobicContact CG1-CG 4.14Å; I111-I172 HydrophobicContact CD1-CD1 3.71Å; I111-I172 HydrophobicContact CG1-CD1 4.39Å; I111-W194 HydrophobicContact CD1-CZ3 4.46Å; I111-L222 HydrophobicContact CD1-CD2 3.61Å; I111-P229 HydrophobicContact CD1-CB 4.3Å; I111-P229 HydrophobicContact CD1-CG 3.43Å; I111-P229 VanDerWaalsContact CD1-CG 3.43Å; I111-P229 HydrophobicContact CG1-CB 4.18Å; I111-P229 HydrophobicContact CG1-CG 3.86Å; I111-P230 PolarHBondContact N-O 2.82Å; I111-C231 CarbonylContact O-C 3.55Å; I111-C231 VanDerWaalsContact O-CA 3.29Å; I111-C231 WeakPolarHBondContact O-CA 3.48Å; I111-L232 PolarHBondContact O-N 3.42Å
112I98.1Very high95.4Very high1 Ų130 Ų301%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-106.9129.1-177.1-58.5160.6000109.4F19 T102 A105 P114 F161 L164 N165 L232 V234F19-I112 HydrophobicContact CD1-CD1 3.95Å; F19-I112 HydrophobicContact CE1-CD1 3.78Å; T102-I112 HydrophobicContact CG2-CD1 4.03Å; T102-I112 HydrophobicContact CG2-CG2 3.88Å; A105-I112 HydrophobicContact CB-CD1 4.44Å; A105-I112 HydrophobicContact CB-CG1 4.3Å; I112-P114 HydrophobicContact CG2-CB 4.36Å; I112-P114 WeakPolarHBondContact O-CD 3.29Å; I112-F161 WeakPolarHBondContact O-CD2 3.31Å; I112-F161 VanDerWaalsContact O-CE2 3.29Å; I112-F161 WeakPolarHBondContact O-CE2 3.41Å; I112-L164 HydrophobicContact CB-CD2 3.75Å; I112-L164 HydrophobicContact CB-CG 4.33Å; I112-L164 HydrophobicContact CD1-CD1 4.34Å; I112-L164 HydrophobicContact CD1-CD2 4.48Å; I112-L164 HydrophobicContact CD1-CG 4.42Å; I112-L164 HydrophobicContact CG2-CD2 3.67Å; I112-N165 PolarHBondContact N-OD1 2.81Å; I112-N165 PolarHBondContact O-ND2 3.27Å; I112-L232 WeakPolarHBondContact CA-O 3.25Å; I112-L232 HydrophobicContact CG1-CB 4.42Å; I112-L232 HydrophobicContact CG1-CD2 4.5Å; I112-L232 HydrophobicContact CG2-CD2 4.45Å; I112-V234 HydrophobicContact CG2-CG1 4.17Å
113F98.2Very high95.1Very high0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans-110.593.7171.8-74.8-100.6000108.8I111 F115 W157 F161 W194 L215 L216 M219 L232 L233 V234I111-F113 HydrophobicContact CB-CE2 4.33Å; I111-F113 HydrophobicContact CG2-CD2 4.06Å; I111-F113 HydrophobicContact CG2-CE2 3.46Å; I111-F113 VanDerWaalsContact CG2-CE2 3.46Å; I111-F113 HydrophobicContact CG2-CZ 4.23Å; F113-F115 HydrophobicContact CB-CE2 4.45Å; F113-W157 AromaticContact CD1-CH2 3.94Å; F113-W157 HydrophobicContact CD1-CH2 3.94Å; F113-W157 HydrophobicContact CD1-CZ2 4.39Å; F113-W157 HydrophobicContact CE1-CH2 4.47Å; F113-F161 HydrophobicContact CD1-CD2 4.26Å; F113-F161 AromaticContact CD1-CE2 3.65Å; F113-F161 HydrophobicContact CD1-CE2 3.65Å; F113-F161 HydrophobicContact CD1-CZ 4.35Å; F113-F161 HydrophobicContact CD2-CE2 4.06Å; F113-F161 HydrophobicContact CE1-CD2 4.42Å; F113-F161 AromaticContact CE1-CE2 3.52Å; F113-F161 HydrophobicContact CE1-CE2 3.52Å; F113-F161 AromaticContact CE1-CZ 3.76Å; F113-F161 HydrophobicContact CE1-CZ 3.76Å; F113-F161 AromaticContact CE2-CE2 3.94Å; F113-F161 HydrophobicContact CE2-CE2 3.94Å; F113-F161 HydrophobicContact CE2-CZ 4.18Å; F113-F161 AromaticContact CG-CE2 3.91Å; F113-F161 HydrophobicContact CG-CE2 3.91Å; F113-F161 AromaticContact CZ-CE2 3.66Å; F113-F161 HydrophobicContact CZ-CE2 3.66Å; F113-F161 AromaticContact CZ-CZ 3.64Å; F113-F161 HydrophobicContact CZ-CZ 3.64Å; F113-W194 HydrophobicContact CZ-CH2 4.33Å; F113-W194 HydrophobicContact CZ-CZ3 4.02Å; F113-L215 HydrophobicContact CE1-CB 4.08Å; F113-L216 HydrophobicContact CD1-CD2 3.63Å; F113-L216 HydrophobicContact CD1-CG 4.4Å; F113-L216 HydrophobicContact CE1-CD2 4.15Å; F113-L216 HydrophobicContact CG-CD2 4.24Å; F113-M219 HydrophobicContact CD1-SD 4.46Å; F113-M219 HydrophobicContact CD2-CG 4.09Å; F113-M219 HydrophobicContact CD2-SD 3.47Å; F113-M219 WeakPolarHBondContact CD2-SD 3.43Å; F113-M219 HydrophobicContact CE1-CB 4.34Å; F113-M219 HydrophobicContact CE1-SD 4.47Å; F113-M219 HydrophobicContact CE2-CB 3.82Å; F113-M219 HydrophobicContact CE2-CG 3.45Å; F113-M219 VanDerWaalsContact CE2-CG 3.45Å; F113-M219 HydrophobicContact CE2-SD 3.48Å; F113-M219 WeakPolarHBondContact CE2-SD 3.44Å; F113-M219 HydrophobicContact CG-SD 4Å; F113-M219 HydrophobicContact CZ-CB 3.61Å; F113-M219 HydrophobicContact CZ-CG 3.83Å; F113-M219 HydrophobicContact CZ-SD 4.03Å; F113-L232 PolarHBondContact N-O 3.49Å; F113-L233 HydrophobicContact CB-CD1 3.74Å; F113-V234 PolarHBondContact O-N 2.8Å
114P97.2Very high94.8Very high9 Ų938.3 Ų38.36%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-91.6121.7-170.836.5-37000112.7I112 T116 W157 L164 V234I112-P114 HydrophobicContact CG2-CB 4.36Å; I112-P114 WeakPolarHBondContact O-CD 3.29Å; P114-T116 HydrophobicContact CB-CG2 4.15Å; P114-W157 PolarHBondContact O-NE1 3.44Å; P114-L164 HydrophobicContact CB-CD2 4.18Å; P114-L164 HydrophobicContact CG-CD2 3.57Å; P114-V234 HydrophobicContact CB-CG1 4.18Å
115F97.6Very high94.5Very high9 Ų938 Ų384%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-117.384.7166.9-65.1-89.3000107.8F113 S117 W157 I212 L216 L233 V234 I235 D236 I264 L268F113-F115 HydrophobicContact CB-CE2 4.45Å; F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.84Å; F115-W157 AromaticContact CD1-NE1 3.8Å; F115-W157 AromaticContact CE1-CE2 3.91Å; F115-W157 HydrophobicContact CE1-CZ2 4.19Å; F115-W157 AromaticContact CE1-NE1 3.62Å; F115-W157 AromaticContact CE2-CZ2 3.91Å; F115-W157 HydrophobicContact CE2-CZ2 3.91Å; F115-W157 AromaticContact CZ-CE2 3.83Å; F115-W157 HydrophobicContact CZ-CH2 4.43Å; F115-W157 AromaticContact CZ-CZ2 3.62Å; F115-W157 HydrophobicContact CZ-CZ2 3.62Å; F115-W157 AromaticContact CZ-NE1 3.93Å; F115-I212 HydrophobicContact CE1-CG2 4.43Å; F115-I212 HydrophobicContact CZ-CG2 4.03Å; F115-L216 HydrophobicContact CE2-CD2 4.42Å; F115-L216 HydrophobicContact CZ-CD1 4.3Å; F115-L233 HydrophobicContact CD2-CD1 3.95Å; F115-L233 HydrophobicContact CE2-CD1 3.85Å; F115-V234 PolarHBondContact N-O 2.87Å; F115-I235 HydrophobicContact CB-CB 4.37Å; F115-I235 HydrophobicContact CB-CG1 4.21Å; F115-I235 HydrophobicContact CB-CG2 4.16Å; F115-I235 HydrophobicContact CD2-CG1 4.16Å; F115-I235 CarbonylContact O-C 3.54Å; F115-I235 WeakPolarHBondContact O-CA 3.3Å; F115-D236 PolarHBondContact O-N 2.97Å; F115-I264 HydrophobicContact CE1-CD1 4.1Å; F115-I264 HydrophobicContact CE1-CG1 4.48Å; F115-L268 HydrophobicContact CD1-CD1 4.08Å; F115-L268 HydrophobicContact CD1-CD2 3.99Å; F115-L268 HydrophobicContact CD2-CD2 3.69Å; F115-L268 HydrophobicContact CE1-CD1 4.24Å; F115-L268 HydrophobicContact CE1-CD2 3.74Å; F115-L268 HydrophobicContact CE1-CG 4.29Å; F115-L268 HydrophobicContact CE2-CD2 3.41Å; F115-L268 VanDerWaalsContact CE2-CD2 3.41Å; F115-L268 HydrophobicContact CG-CD1 4.46Å; F115-L268 HydrophobicContact CG-CD2 3.97Å; F115-L268 HydrophobicContact CZ-CD2 3.44Å; F115-L268 VanDerWaalsContact CZ-CD2 3.44Å; F115-L268 HydrophobicContact CZ-CG 4.38Å
116T95.6Very high94.3Very high41 Ų4145.1 Ų45.125%0.25223%0.233SC..  trans-79.7-12.9-162.859.20000114.7P22 F23 P114 D236P22-T116 HydrophobicContact CB-CG2 3.67Å; P22-T116 WeakPolarHBondContact O-CB 3.39Å; P22-T116 PolarHBondContact O-OG1 3.29Å; F23-T116 HydrophobicContact CD1-CG2 3.92Å; F23-T116 HydrophobicContact CD2-CG2 4.08Å; F23-T116 HydrophobicContact CE1-CG2 3.7Å; F23-T116 HydrophobicContact CE2-CG2 3.87Å; F23-T116 HydrophobicContact CG-CG2 4.11Å; F23-T116 HydrophobicContact CZ-CG2 3.67Å; P114-T116 HydrophobicContact CB-CG2 4.15Å; T116-D236 VanDerWaalsContact O-CB 3.26Å; T116-D236 WeakPolarHBondContact O-CB 3.48Å
117S91.6Very high94.2Very high32 Ų3245.4 Ų45.422%0.22423%0.23CC..  trans-159.991.2175.5179.20000110.4F115 E119 N120F115-S117 VanDerWaalsContact C-N 3.34Å; F115-S117 PolarHBondContact O-N 2.84Å; S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 WeakPolarHBondContact OG-CG 3.13Å; S117-N120 WeakPolarHBondContact O-CB 3.36Å; S117-N120 PolarHBondContact OG-OD1 3.11Å
118C94.5Very high94.1Very high1 Ų140.8 Ų40.81%0.00721%0.214CC..G310 helixtrans-80.9-5.5178.1-69.90000113.5N120 F121 I235 D236 S240C118-N120 PolarHBondContact O-N 2.84Å; C118-F121 HydrophobicContact CB-CD2 3.95Å; C118-F121 HydrophobicContact CB-CE2 3.85Å; C118-F121 WeakPolarHBondContact O-CB 3.34Å; C118-F121 WeakPolarHBondContact O-CD2 3.4Å; C118-F121 PolarHBondContact O-N 2.95Å; C118-F121 VanDerWaalsContact SG-CE2 3.55Å; C118-I235 HydrophobicContact CB-CG2 4.48Å; C118-I235 WeakPolarHBondContact SG-CG2 3.37Å; C118-D236 VanDerWaalsContact CB-O 3.3Å; C118-D236 WeakPolarHBondContact CB-O 3.43Å; C118-D236 PolarHBondContact N-O 3.24Å; C118-S240 VanDerWaalsContact CB-OG 3.24Å; C118-S240 WeakPolarHBondContact CB-OG 3.27Å; C118-S240 VanDerWaalsContact O-CB 3.3Å; C118-S240 WeakPolarHBondContact O-CB 3.4Å; C118-S240 PolarHBondContact O-OG 3.16Å
119E92.4Very high94.1Very high34 Ų3438.5 Ų38.516%0.15921%0.209CC..G310 helixtrans-63.3-29.3168.256.1-170.7-137.600111.8S117 F121 L122 N286 R288 A289S117-E119 VanDerWaalsContact C-N 3.27Å; S117-E119 WeakPolarHBondContact OG-CG 3.13Å; E119-F121 PolarHBondContact O-N 3.27Å; E119-L122 WeakPolarHBondContact O-CB 3.23Å; E119-L122 PolarHBondContact O-N 3.04Å; E119-N286 PolarHBondContact OE2-ND2 3.32Å; E119-R288 WeakPolarHBondContact OE2-CB 3.34Å; E119-A289 HydrophobicContact CB-CB 4.14Å
120N92.7Very high94.1Very high62 Ų6236.1 Ų36.133%0.33221%0.208SC..G310 helixtrans-58.5-23.2176-66.7-12000113.3S117 C118 L122 E123 R153S117-N120 WeakPolarHBondContact O-CB 3.36Å; S117-N120 PolarHBondContact OG-OD1 3.11Å; C118-N120 PolarHBondContact O-N 2.84Å; N120-L122 PolarHBondContact O-N 3.42Å; N120-E123 PolarHBondContact O-N 2.98Å; N120-R153 PolarHBondContact O-NH1 3.23Å
121F92.4Very high94Very high26 Ų2636.4 Ų36.411%0.11421%0.211CC..G310 helixtrans-68.1-18.6174.4-58.7-26000112.9C118 E119 F150 L241 L248 L262 I264 L268C118-F121 HydrophobicContact CB-CD2 3.95Å; C118-F121 HydrophobicContact CB-CE2 3.85Å; C118-F121 WeakPolarHBondContact O-CB 3.34Å; C118-F121 WeakPolarHBondContact O-CD2 3.4Å; C118-F121 PolarHBondContact O-N 2.95Å; C118-F121 VanDerWaalsContact SG-CE2 3.55Å; E119-F121 PolarHBondContact O-N 3.27Å; F121-F150 HydrophobicContact CD1-CE2 4.14Å; F121-L241 HydrophobicContact CD2-CD2 4.47Å; F121-L241 HydrophobicContact CE2-CD2 4.39Å; F121-L248 WeakPolarHBondContact O-CD1 3.44Å; F121-L262 HydrophobicContact CB-CD1 4.27Å; F121-I264 HydrophobicContact CD1-CG2 4.37Å; F121-I264 HydrophobicContact CE1-CG1 4.47Å; F121-I264 HydrophobicContact CE1-CG2 4.08Å; F121-I264 HydrophobicContact CE2-CG2 4.27Å; F121-I264 HydrophobicContact CZ-CG1 3.98Å; F121-I264 HydrophobicContact CZ-CG2 4.03Å; F121-L268 HydrophobicContact CE2-CD1 3.79Å; F121-L268 HydrophobicContact CZ-CD1 4.2Å
122L92.7Very high93.7Very high15 Ų1538 Ų388%0.07922%0.219CC..THydrogen-bonded Turntrans-94.9-16.7-178.7-50.1-176.7000112.4E119 N120 C243 T246 L247 T259 A289E119-L122 WeakPolarHBondContact O-CB 3.23Å; E119-L122 PolarHBondContact O-N 3.04Å; N120-L122 PolarHBondContact O-N 3.42Å; L122-C243 HydrophobicContact CD1-CB 4.11Å; L122-C243 HydrophobicContact CD2-CB 3.89Å; L122-T246 HydrophobicContact CD2-CG2 3.87Å; L122-L247 VanDerWaalsContact O-CB 3.31Å; L122-L247 WeakPolarHBondContact O-CB 3.41Å; L122-L247 PolarHBondContact O-N 3.11Å; L122-T259 HydrophobicContact CD2-CG2 3.79Å; L122-A289 WeakPolarHBondContact CD1-O 3.37Å
123E91.8Very high93.3Very high88 Ų8843.3 Ų43.341%0.41125%0.248SC..SBendtrans-79.9154.4-174.5-62.6-171.1157.300112.8N120 S125 L248N120-E123 PolarHBondContact O-N 2.98Å; E123-S125 PolarHBondContact O-N 3.18Å; E123-L248 WeakPolarHBondContact O-CD2 3.21Å
124P91Very high92.8Very high90 Ų9047 Ų4758%0.58426%0.262SS*.  trans-55.8137.9173.1-2132.5000111.2L247P124-L247 HydrophobicContact CG-CB 3.85Å; P124-L247 HydrophobicContact CG-CD1 4.22Å
125S91.3Very high92.2Very high26 Ų2646.6 Ų46.618%0.18226%0.26CS..  trans-151.2137.8178.5-174.10000111.2E123 D127E123-S125 PolarHBondContact O-N 3.18Å; S125-D127 VanDerWaalsContact C-N 3.28Å; S125-D127 VanDerWaalsContact OG-CB 3.28Å; S125-D127 WeakPolarHBondContact OG-CB 3.38Å; S125-D127 PolarHBondContact OG-N 3.35Å; S125-D127 VanDerWaalsContact OG-N 3.11Å
126N90.9Very high91.8Very high152 Ų15247.7 Ų47.781%0.81326%0.264SS*.THydrogen-bonded Turntrans-84.6-5.5170.2-69.6-36.1000112.6I128N126-I128 VanDerWaalsContact C-N 3.3Å; N126-I128 PolarHBondContact O-N 2.96Å
127D93.6Very high91.5Very high24 Ų2450.2 Ų50.213%0.12828%0.276CS..THydrogen-bonded Turntrans-78.7-8.7-179.7-170.433.8000113.2S125 A129 F150 P151 V152 R153S125-D127 VanDerWaalsContact C-N 3.28Å; S125-D127 VanDerWaalsContact OG-CB 3.28Å; S125-D127 WeakPolarHBondContact OG-CB 3.38Å; S125-D127 PolarHBondContact OG-N 3.35Å; S125-D127 VanDerWaalsContact OG-N 3.11Å; D127-A129 PolarHBondContact O-N 3.32Å; D127-F150 VanDerWaalsContact OD2-C 3.25Å; D127-F150 WeakPolarHBondContact OD2-CA 3.48Å; D127-F150 WeakPolarHBondContact OD2-CB 3.25Å; D127-P151 WeakPolarHBondContact O-CD 3.24Å; D127-P151 WeakPolarHBondContact OD1-CD 3.45Å; D127-V152 WeakPolarHBondContact OD1-CB 2.81Å; D127-V152 WeakPolarHBondContact OD1-CG2 2.81Å; D127-V152 PolarHBondContact OD1-N 3.34Å; D127-V152 PolarHBondContact OD2-N 2.85Å; D127-V152 VanDerWaalsContact OD2-N 3.15Å; D127-R153 WeakPolarHBondContact OD2-CG 3.37Å; D127-R153 PolarHBondContact OD2-N 3.03Å
128I93.7Very high91.3Very high17 Ų1752.9 Ų52.99%0.08729%0.285CS..  trans-68.4128.9-177.3-166.9172.5000111.7N126 F148 L248 V257N126-I128 VanDerWaalsContact C-N 3.3Å; N126-I128 PolarHBondContact O-N 2.96Å; I128-F148 HydrophobicContact CD1-CB 3.8Å; I128-F148 HydrophobicContact CD1-CD1 4.01Å; I128-F148 HydrophobicContact CD1-CD2 4.22Å; I128-F148 HydrophobicContact CD1-CG 3.76Å; I128-F148 HydrophobicContact CG1-CB 3.7Å; I128-F148 HydrophobicContact CG1-CD1 3.84Å; I128-F148 HydrophobicContact CG1-CG 3.9Å; I128-L248 HydrophobicContact CD1-CB 4.04Å; I128-L248 HydrophobicContact CD1-CD1 4.22Å; I128-V257 HydrophobicContact CD1-CB 4.25Å; I128-V257 HydrophobicContact CD1-CG1 4.27Å; I128-V257 HydrophobicContact CD1-CG2 3.71Å
129A94Very high91Very high32 Ų3253.9 Ų53.926%0.26429%0.289SS..EExtended strand (participates in β ladder)trans-139.1148.8177.600000111.1D127 S131 F148 D149 P151D127-A129 PolarHBondContact O-N 3.32Å; A129-S131 PolarHBondContact O-N 3.36Å; A129-F148 CarbonylContact O-C 3.52Å; A129-F148 WeakPolarHBondContact O-CA 3.3Å; A129-D149 PolarHBondContact N-O 2.96Å; A129-D149 VanDerWaalsContact N-O 3.12Å; A129-D149 PolarHBondContact O-N 3.4Å; A129-P151 HydrophobicContact CB-CG 3.96Å
130P93.8Very high90.8Very high94 Ų9459.7 Ų59.761%0.6131%0.31SS*.EExtended strand (participates in β ladder)trans-58136.7173.3-22.233000111.3F148P130-F148 HydrophobicContact CG-CE1 4.36Å
131S93.7Very high90.6Very high11 Ų1165.2 Ų65.28%0.07733%0.334CS..PPolyproline II helixtrans-63.8148.5174.4-57.10000110.7A129 D133 A147 F148 D149A129-S131 PolarHBondContact O-N 3.36Å; S131-D133 PolarHBondContact O-N 3.47Å; S131-A147 PolarHBondContact N-O 3.33Å; S131-A147 VanDerWaalsContact OG-C 3.28Å; S131-A147 WeakPolarHBondContact OG-CB 3.34Å; S131-A147 PolarHBondContact OG-O 2.95Å; S131-F148 PolarHBondContact OG-N 3Å; S131-D149 WeakPolarHBondContact CA-OD2 3.2Å; S131-D149 PolarHBondContact OG-OD1 3.28Å
132N91.6Very high90.4Very high34 Ų3467.8 Ų67.818%0.18235%0.348CS..PPolyproline II helixtrans-58.9136.3175.6177.5-12.2000111.6Y134 H135 Y136 W182 Y207N132-Y134 PolarHBondContact O-N 2.86Å; N132-Y134 VanDerWaalsContact O-N 3.11Å; N132-Y134 PolarHBondContact OD1-N 2.79Å; N132-H135 PolarHBondContact O-N 3.31Å; N132-Y136 PolarHBondContact O-N 2.94Å; N132-W182 PolarHBondContact ND2-O 3.26Å; N132-W182 PolarHBondContact OD1-O 3.02Å; N132-Y207 HydrophobicContact CB-CE1 4.26Å; N132-Y207 WeakPolarHBondContact ND2-CE1 3.49Å
133D89.4Confident90.2Very high113 Ų11367.9 Ų67.960%0.60435%0.348SS*.Hα-helixtrans-43.6-43173.9-65.8-17.4000114S131 N137S131-D133 PolarHBondContact O-N 3.47Å; D133-N137 WeakPolarHBondContact O-CB 3.2Å; D133-N137 PolarHBondContact O-N 3.2Å; D133-N137 PolarHBondContact O-ND2 3.3Å
134Y88.3Confident89.8Confident76 Ų7669.2 Ų69.230%0.29836%0.362SS..Hα-helixtrans-62.1-46.1179.1-87-106.3000111.8N132 Q138 E181 W182 K184N132-Y134 PolarHBondContact O-N 2.86Å; N132-Y134 VanDerWaalsContact O-N 3.11Å; N132-Y134 PolarHBondContact OD1-N 2.79Å; Y134-Q138 VanDerWaalsContact O-CG 3.28Å; Y134-Q138 WeakPolarHBondContact O-CG 3.27Å; Y134-Q138 PolarHBondContact O-N 2.81Å; Y134-E181 HydrophobicContact CD1-CB 4.11Å; Y134-E181 HydrophobicContact CE1-CB 4.21Å; Y134-W182 WeakPolarHBondContact CD2-O 3.49Å; Y134-W182 VanDerWaalsContact CG-O 3.32Å; Y134-K184 WeakPolarHBondContact OH-CG 3.49Å
135H84.7Confident89.6Confident1 Ų166.3 Ų66.31%0.00535%0.348CS..Hα-helixtrans-70.1-46.5178.7174.2-130.6000111N132 N137 Q138 H139 D210 H267N132-H135 PolarHBondContact O-N 3.31Å; H135-N137 PolarHBondContact O-N 2.94Å; H135-Q138 PolarHBondContact O-N 3.44Å; H135-H139 AromaticContact CD2-CD2 3.77Å; H135-H139 AromaticContact NE2-CD2 3.49Å; H135-H139 PolarHBondContact NE2-CD2 2.86Å; H135-D210 HydrophobicContact CB-CB 4.43Å; H135-D210 IonicContact CD2-OD1 3.35Å; H135-D210 PolarHBondContact CD2-OD1 3.14Å; H135-D210 VanDerWaalsContact CD2-OD1 3.22Å; H135-D210 IonicContact CG-OD1 3.95Å; H135-D210 IonicContact NE2-OD1 3.96Å; H135-H267 AromaticContact CE1-CE1 3.66Å; H135-H267 AromaticContact CE1-NE2 3.3Å; H135-H267 PolarHBondContact CE1-NE2 3.27Å; H135-H267 VanDerWaalsContact CE1-NE2 3.3Å; H135-H267 AromaticContact NE2-CE1 3.08Å; H135-H267 PolarHBondContact NE2-CE1 3.35Å; H135-H267 AromaticContact NE2-NE2 3.23Å; H135-H267 PolarHBondContact NE2-NE2 3.4Å
136Y87.9Confident89.5Confident32 Ų3269 Ų6913%0.12536%0.361CS..Hα-helixtrans-59.2-47178.4176.3-123.5000111.8N132 Q138 H139 R140 F143 G145 A147N132-Y136 PolarHBondContact O-N 2.94Å; Y136-Q138 VanDerWaalsContact C-N 3.31Å; Y136-Q138 PolarHBondContact O-N 2.99Å; Y136-H139 CarbonylContact O-C 3.54Å; Y136-H139 PolarHBondContact O-N 2.86Å; Y136-R140 HydrophobicContact CE1-CG 4.4Å; Y136-R140 HydrophobicContact CE2-CG 4.4Å; Y136-R140 WeakPolarHBondContact O-CA 3.33Å; Y136-R140 PolarHBondContact O-N 3.25Å; Y136-F143 AromaticContact CD2-CD2 3.88Å; Y136-F143 HydrophobicContact CD2-CD2 3.88Å; Y136-F143 HydrophobicContact CD2-CE2 4.32Å; Y136-F143 HydrophobicContact CE2-CB 4.24Å; Y136-F143 HydrophobicContact CE2-CD2 4.06Å; Y136-F143 HydrophobicContact CE2-CG 4.44Å; Y136-G145 WeakPolarHBondContact CE2-O 3.39Å; Y136-G145 PolarHBondContact OH-O 2.96Å; Y136-A147 HydrophobicContact CD2-CB 3.66Å; Y136-A147 HydrophobicContact CE2-CB 4.2Å
137N89.6Confident89.6Confident95 Ų9561.9 Ų61.951%0.50832%0.323SS..Hα-helixtrans-64.6-32.4-178.8-74-41.7000113.1D133 H135 H139D133-N137 WeakPolarHBondContact O-CB 3.2Å; D133-N137 PolarHBondContact O-N 3.2Å; D133-N137 PolarHBondContact O-ND2 3.3Å; H135-N137 PolarHBondContact O-N 2.94Å; N137-H139 PolarHBondContact O-N 3.46Å
138Q87.1Confident89.7Confident88 Ų8861.2 Ų61.241%0.41132%0.319SS..Hα-helixtrans-65.4-21.3174.6-73.5174.530.500113.1Y134 H135 Y136Y134-Q138 VanDerWaalsContact O-CG 3.28Å; Y134-Q138 WeakPolarHBondContact O-CG 3.27Å; Y134-Q138 PolarHBondContact O-N 2.81Å; H135-Q138 PolarHBondContact O-N 3.44Å; Y136-Q138 VanDerWaalsContact C-N 3.31Å; Y136-Q138 PolarHBondContact O-N 2.99Å
139H88.2Confident89.8Confident22 Ų2260.6 Ų60.610%0.10232%0.316CS..Hα-helixtrans-130.911.2-170.6-68.1-29000113.7H135 Y136 N137 E141 N142 F143 H266 R270H135-H139 AromaticContact CD2-CD2 3.77Å; H135-H139 AromaticContact NE2-CD2 3.49Å; H135-H139 PolarHBondContact NE2-CD2 2.86Å; Y136-H139 CarbonylContact O-C 3.54Å; Y136-H139 PolarHBondContact O-N 2.86Å; N137-H139 PolarHBondContact O-N 3.46Å; H139-E141 PolarHBondContact O-N 3.03Å; H139-E141 VanDerWaalsContact O-N 3.11Å; H139-N142 WeakPolarHBondContact O-CA 3.3Å; H139-N142 WeakPolarHBondContact O-CB 3.4Å; H139-N142 PolarHBondContact O-N 3.16Å; H139-N142 PolarHBondContact O-ND2 2.97Å; H139-F143 HydrophobicContact CB-CD2 4.21Å; H139-F143 HydrophobicContact CB-CE2 3.6Å; H139-F143 HydrophobicContact CB-CZ 4.44Å; H139-F143 VanDerWaalsContact O-CD2 3.29Å; H139-F143 WeakPolarHBondContact O-CD2 3.49Å; H139-H266 AromaticContact CD2-CD2 3.77Å; H139-H266 AromaticContact CD2-NE2 3.32Å; H139-H266 PolarHBondContact CD2-NE2 2.8Å; H139-H266 VanDerWaalsContact CD2-NE2 3.32Å; H139-H266 AromaticContact CE1-NE2 4Å; H139-H266 AromaticContact CG-CD2 3.98Å; H139-H266 AromaticContact CG-NE2 3.21Å; H139-H266 AromaticContact ND1-NE2 3.66Å; H139-H266 AromaticContact NE2-NE2 3.78Å; H139-R270 PolarHBondContact CE1-NH1 3.38Å; H139-R270 PolarHBondContact NE2-NH1 3.14Å
140R88.5Confident89.9Confident155 Ų15559.2 Ų59.259%0.58530%0.304SS*.G310 helixtrans-52.3-39.9-172.2-173.9175.4-179.51760.4113.5Y136 N142 F143Y136-R140 HydrophobicContact CE1-CG 4.4Å; Y136-R140 HydrophobicContact CE2-CG 4.4Å; Y136-R140 WeakPolarHBondContact O-CA 3.33Å; Y136-R140 PolarHBondContact O-N 3.25Å; R140-N142 PolarHBondContact O-N 2.98Å; R140-F143 PolarHBondContact O-N 3.45Å
141E88.7Confident90Very high179 Ų17955.5 Ų55.584%0.83628%0.28SS*.G310 helixtrans-64.9-15.3177.652.4-177.2165.900114.6H139H139-E141 PolarHBondContact O-N 3.03Å; H139-E141 VanDerWaalsContact O-N 3.11Å
142N88Confident90.2Very high79 Ų7959.4 Ų59.442%0.42230%0.303SS..G310 helixtrans-98.4-6.8178.6-54.8-78.3000113.2H139 R140H139-N142 WeakPolarHBondContact O-CA 3.3Å; H139-N142 WeakPolarHBondContact O-CB 3.4Å; H139-N142 PolarHBondContact O-N 3.16Å; H139-N142 PolarHBondContact O-ND2 2.97Å; R140-N142 PolarHBondContact O-N 2.98Å
143F88Confident90.4Very high17 Ų1761.7 Ų61.78%0.07531%0.309CS..  trans-106.2142.2-178.9-65.8-68.9000111.1Y136 H139 R140 G145 A147 D260 A263 H266Y136-F143 AromaticContact CD2-CD2 3.88Å; Y136-F143 HydrophobicContact CD2-CD2 3.88Å; Y136-F143 HydrophobicContact CD2-CE2 4.32Å; Y136-F143 HydrophobicContact CE2-CB 4.24Å; Y136-F143 HydrophobicContact CE2-CD2 4.06Å; Y136-F143 HydrophobicContact CE2-CG 4.44Å; H139-F143 HydrophobicContact CB-CD2 4.21Å; H139-F143 HydrophobicContact CB-CE2 3.6Å; H139-F143 HydrophobicContact CB-CZ 4.44Å; H139-F143 VanDerWaalsContact O-CD2 3.29Å; H139-F143 WeakPolarHBondContact O-CD2 3.49Å; R140-F143 PolarHBondContact O-N 3.45Å; F143-G145 WeakPolarHBondContact CB-O 3.42Å; F143-G145 PolarHBondContact O-N 3.13Å; F143-A147 HydrophobicContact CD1-CB 3.91Å; F143-A147 HydrophobicContact CD2-CB 3.91Å; F143-A147 HydrophobicContact CE1-CB 3.79Å; F143-A147 HydrophobicContact CE2-CB 3.76Å; F143-A147 HydrophobicContact CG-CB 3.98Å; F143-A147 HydrophobicContact CZ-CB 3.72Å; F143-D260 WeakPolarHBondContact CD1-O 3.26Å; F143-A263 HydrophobicContact CZ-CB 4.46Å; F143-H266 HydrophobicContact CE1-CB 3.79Å; F143-H266 HydrophobicContact CZ-CB 3.96Å
144V84.1Confident90.7Very high116 Ų11656.5 Ų56.570%0.70328%0.282SS*.SBendtrans-87.530.4177.9-165.40000111.3D260V144-D260 HydrophobicContact CG2-CB 4.09Å
145G86.3Confident91.2Very high29 Ų2953.1 Ų53.130%0.29927%0.27SS..SBendtrans142.8-160.2-173.100000111.5Y136 F143 A147Y136-G145 WeakPolarHBondContact CE2-O 3.39Å; Y136-G145 PolarHBondContact OH-O 2.96Å; F143-G145 WeakPolarHBondContact CB-O 3.42Å; F143-G145 PolarHBondContact O-N 3.13Å; G145-A147 PolarHBondContact O-N 3.3Å
146D89.4Confident91.8Very high82 Ų8257.5 Ų57.544%0.43929%0.29SS..SBendtrans-63.2136.4178.3-58.1-31.6000111R261D146-R261 PolarHBondContact O-NE 3.5Å
147A93.8Very high92.3Very high3 Ų357.6 Ų57.63%0.02529%0.291CS..  trans-84.5145.8177.600000111.5S131 Y136 F143 G145 R261S131-A147 PolarHBondContact N-O 3.33Å; S131-A147 VanDerWaalsContact OG-C 3.28Å; S131-A147 WeakPolarHBondContact OG-CB 3.34Å; S131-A147 PolarHBondContact OG-O 2.95Å; Y136-A147 HydrophobicContact CD2-CB 3.66Å; Y136-A147 HydrophobicContact CE2-CB 4.2Å; F143-A147 HydrophobicContact CD1-CB 3.91Å; F143-A147 HydrophobicContact CD2-CB 3.91Å; F143-A147 HydrophobicContact CE1-CB 3.79Å; F143-A147 HydrophobicContact CE2-CB 3.76Å; F143-A147 HydrophobicContact CG-CB 3.98Å; F143-A147 HydrophobicContact CZ-CB 3.72Å; G145-A147 PolarHBondContact O-N 3.3Å; A147-R261 CarbonylContact C-O 3.54Å; A147-R261 WeakPolarHBondContact CA-O 3.24Å
148F95.1Very high92.7Very high11 Ų1153.1 Ų53.15%0.04827%0.266CS..EExtended strand (participates in β ladder)trans-124143.9177.1-64.3-78.2000112.8I128 A129 P130 S131 D250 V257 R261 L262 A263I128-F148 HydrophobicContact CD1-CB 3.8Å; I128-F148 HydrophobicContact CD1-CD1 4.01Å; I128-F148 HydrophobicContact CD1-CD2 4.22Å; I128-F148 HydrophobicContact CD1-CG 3.76Å; I128-F148 HydrophobicContact CG1-CB 3.7Å; I128-F148 HydrophobicContact CG1-CD1 3.84Å; I128-F148 HydrophobicContact CG1-CG 3.9Å; A129-F148 CarbonylContact O-C 3.52Å; A129-F148 WeakPolarHBondContact O-CA 3.3Å; P130-F148 HydrophobicContact CG-CE1 4.36Å; S131-F148 PolarHBondContact OG-N 3Å; F148-D250 HydrophobicContact CZ-CB 4.08Å; F148-D250 WeakPolarHBondContact CZ-OD2 3.22Å; F148-V257 HydrophobicContact CD2-CB 4.5Å; F148-V257 HydrophobicContact CD2-CG1 3.59Å; F148-V257 HydrophobicContact CD2-CG2 4.01Å; F148-V257 HydrophobicContact CE2-CG1 3.98Å; F148-V257 HydrophobicContact CE2-CG2 3.75Å; F148-V257 HydrophobicContact CZ-CG2 4.37Å; F148-R261 HydrophobicContact CD2-CB 4.2Å; F148-R261 VanDerWaalsContact CE2-CZ 3.41Å; F148-R261 PolarHBondContact N-O 3.39Å; F148-L262 HydrophobicContact CB-CD2 4.26Å; F148-A263 WeakPolarHBondContact O-CB 3.3Å; F148-A263 PolarHBondContact O-N 3.01Å
149D95.8Very high93.2Very high4 Ų453.6 Ų53.62%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-110.5162.6178.7-71.5-13.6000110.8A129 S131 T209 A263A129-D149 PolarHBondContact N-O 2.96Å; A129-D149 VanDerWaalsContact N-O 3.12Å; A129-D149 PolarHBondContact O-N 3.4Å; S131-D149 WeakPolarHBondContact CA-OD2 3.2Å; S131-D149 PolarHBondContact OG-OD1 3.28Å; D149-T209 HydrophobicContact CB-CG2 4.42Å; D149-T209 VanDerWaalsContact CB-OG1 3.31Å; D149-T209 WeakPolarHBondContact CB-OG1 3.43Å; D149-A263 WeakPolarHBondContact OD1-CB 3.45Å
150F95.7Very high93.6Very high2 Ų255.2 Ų55.21%0.00928%0.278CS..  trans-117.782.5166.7-60.9-75.3000109.4F121 D127 V152 R153 S154 T209 L248 L262 I264F121-F150 HydrophobicContact CD1-CE2 4.14Å; D127-F150 VanDerWaalsContact OD2-C 3.25Å; D127-F150 WeakPolarHBondContact OD2-CA 3.48Å; D127-F150 WeakPolarHBondContact OD2-CB 3.25Å; F150-V152 PolarHBondContact O-N 3.47Å; F150-R153 HydrophobicContact CB-CB 3.99Å; F150-S154 WeakPolarHBondContact O-CB 3.48Å; F150-S154 PolarHBondContact O-N 3.02Å; F150-S154 PolarHBondContact O-OG 3.04Å; F150-T209 PolarHBondContact N-OG1 2.98Å; F150-L248 HydrophobicContact CE1-CD1 3.81Å; F150-L248 HydrophobicContact CE1-CD2 4.08Å; F150-L248 HydrophobicContact CZ-CD1 3.56Å; F150-L262 HydrophobicContact CE2-CD1 4.08Å; F150-L262 HydrophobicContact CE2-CD2 4.03Å; F150-L262 HydrophobicContact CE2-CG 4.49Å; F150-L262 HydrophobicContact CZ-CD1 4.1Å; F150-L262 HydrophobicContact CZ-CD2 3.87Å; F150-I264 HydrophobicContact CD2-CG2 4.09Å; F150-I264 HydrophobicContact CE2-CG2 4.01Å
151P96.7Very high94Very high16 Ų1647.8 Ų47.810%0.10425%0.251CS..Hα-helixtrans-55.4-48.7-173.1-30.540.8000114.4D127 A129 A155 T205D127-P151 WeakPolarHBondContact O-CD 3.24Å; D127-P151 WeakPolarHBondContact OD1-CD 3.45Å; A129-P151 HydrophobicContact CB-CG 3.96Å; P151-A155 VanDerWaalsContact O-CB 3.27Å; P151-A155 WeakPolarHBondContact O-CB 3.44Å; P151-A155 PolarHBondContact O-N 3.26Å; P151-T205 VanDerWaalsContact CA-O 3.3Å; P151-T205 WeakPolarHBondContact CA-O 3.5Å; P151-T205 WeakPolarHBondContact CB-O 3.42Å
152V96.4Very high94.4Very high94 Ų9440 Ų4057%0.5722%0.215SC*.Hα-helixtrans-71.8-48.8-177178.70000110.6D127 F150 S154 A155 E156D127-V152 WeakPolarHBondContact OD1-CB 2.81Å; D127-V152 WeakPolarHBondContact OD1-CG2 2.81Å; D127-V152 PolarHBondContact OD1-N 3.34Å; D127-V152 PolarHBondContact OD2-N 2.85Å; D127-V152 VanDerWaalsContact OD2-N 3.15Å; F150-V152 PolarHBondContact O-N 3.47Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 2.81Å; V152-A155 PolarHBondContact O-N 3.06Å; V152-E156 PolarHBondContact O-N 3.38Å
153R95.8Very high94.8Very high81 Ų8142.2 Ų42.231%0.30622%0.222SC..Hα-helixtrans-63.3-39179.7-66.4175.6174.9-173.9-6.5111.7N120 D127 F150 E156 W157N120-R153 PolarHBondContact O-NH1 3.23Å; D127-R153 WeakPolarHBondContact OD2-CG 3.37Å; D127-R153 PolarHBondContact OD2-N 3.03Å; F150-R153 HydrophobicContact CB-CB 3.99Å; R153-E156 PolarHBondContact O-N 2.85Å; R153-W157 WeakPolarHBondContact O-CB 3.46Å; R153-W157 PolarHBondContact O-N 3.03Å
154S97.5Very high95.2Very high5 Ų542 Ų424%0.03522%0.222CC..Hα-helixtrans-69.8-37.6177.8-58.90000111.7F150 V152 E156 W157 L158 T209F150-S154 WeakPolarHBondContact O-CB 3.48Å; F150-S154 PolarHBondContact O-N 3.02Å; F150-S154 PolarHBondContact O-OG 3.04Å; V152-S154 VanDerWaalsContact C-N 3.31Å; V152-S154 PolarHBondContact O-N 2.81Å; S154-E156 VanDerWaalsContact C-N 3.33Å; S154-W157 PolarHBondContact O-N 3.37Å; S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.47Å; S154-L158 PolarHBondContact O-N 3.46Å; S154-T209 PolarHBondContact OG-OG1 2.79Å; S154-T209 VanDerWaalsContact OG-OG1 3.04Å
155A98.1Very high95.8Very high5 Ų536.6 Ų36.64%0.04119%0.189CC..Hα-helixtrans-65-38.7174.200000111.6P151 V152 L158 K159 T205 A208P151-A155 VanDerWaalsContact O-CB 3.27Å; P151-A155 WeakPolarHBondContact O-CB 3.44Å; P151-A155 PolarHBondContact O-N 3.26Å; V152-A155 PolarHBondContact O-N 3.06Å; A155-L158 WeakPolarHBondContact O-CB 3.39Å; A155-L158 PolarHBondContact O-N 3.32Å; A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.83Å; A155-T205 HydrophobicContact CB-CG2 3.72Å; A155-A208 HydrophobicContact CB-CB 3.99Å
156E97Very high96.2Very high93 Ų9340.6 Ų40.644%0.43520%0.195SC..Hα-helixtrans-66.7-43.2175.1-166.254.7-144.400111.8V152 R153 S154 L158 K159 V160V152-E156 PolarHBondContact O-N 3.38Å; R153-E156 PolarHBondContact O-N 2.85Å; S154-E156 VanDerWaalsContact C-N 3.33Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.34Å; E156-K159 WeakPolarHBondContact O-CB 3.4Å; E156-K159 PolarHBondContact O-N 3.22Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 IonicContact OE2-NZ 2.63Å; E156-K159 PolarHBondContact OE2-NZ 2.65Å; E156-V160 WeakPolarHBondContact O-CG2 3.35Å; E156-V160 PolarHBondContact O-N 2.8Å
157W97.8Very high96.4Very high34 Ų3441.4 Ų41.413%0.12921%0.205CC..Hα-helixtrans-55.7-43.3172.6-175.294.9000112.1F113 P114 F115 R153 S154 K159 V160 F161 I212 L215F113-W157 AromaticContact CD1-CH2 3.94Å; F113-W157 HydrophobicContact CD1-CH2 3.94Å; F113-W157 HydrophobicContact CD1-CZ2 4.39Å; F113-W157 HydrophobicContact CE1-CH2 4.47Å; P114-W157 PolarHBondContact O-NE1 3.44Å; F115-W157 AromaticContact CD1-NE1 3.8Å; F115-W157 AromaticContact CE1-CE2 3.91Å; F115-W157 HydrophobicContact CE1-CZ2 4.19Å; F115-W157 AromaticContact CE1-NE1 3.62Å; F115-W157 AromaticContact CE2-CZ2 3.91Å; F115-W157 HydrophobicContact CE2-CZ2 3.91Å; F115-W157 AromaticContact CZ-CE2 3.83Å; F115-W157 HydrophobicContact CZ-CH2 4.43Å; F115-W157 AromaticContact CZ-CZ2 3.62Å; F115-W157 HydrophobicContact CZ-CZ2 3.62Å; F115-W157 AromaticContact CZ-NE1 3.93Å; R153-W157 WeakPolarHBondContact O-CB 3.46Å; R153-W157 PolarHBondContact O-N 3.03Å; S154-W157 PolarHBondContact O-N 3.37Å; W157-K159 VanDerWaalsContact C-N 3.33Å; W157-K159 PolarHBondContact O-N 3.11Å; W157-V160 PolarHBondContact O-N 3.48Å; W157-F161 HydrophobicContact CD2-CB 4.46Å; W157-F161 HydrophobicContact CE3-CB 3.97Å; W157-F161 HydrophobicContact CH2-CB 3.9Å; W157-F161 AromaticContact CH2-CD2 3.51Å; W157-F161 HydrophobicContact CH2-CD2 3.51Å; W157-F161 HydrophobicContact CH2-CE2 4.21Å; W157-F161 AromaticContact CH2-CG 3.75Å; W157-F161 HydrophobicContact CH2-CG 3.75Å; W157-F161 HydrophobicContact CZ2-CB 4.39Å; W157-F161 HydrophobicContact CZ2-CD2 4.1Å; W157-F161 HydrophobicContact CZ3-CB 3.67Å; W157-F161 HydrophobicContact CZ3-CD1 4.41Å; W157-F161 HydrophobicContact CZ3-CD2 4.06Å; W157-F161 AromaticContact CZ3-CG 3.78Å; W157-F161 HydrophobicContact CZ3-CG 3.78Å; W157-F161 WeakPolarHBondContact O-CB 3.4Å; W157-F161 PolarHBondContact O-N 2.87Å; W157-I212 HydrophobicContact CB-CD1 4.08Å; W157-I212 HydrophobicContact CD2-CD1 3.76Å; W157-I212 HydrophobicContact CD2-CG1 4.2Å; W157-I212 HydrophobicContact CE3-CB 4.4Å; W157-I212 HydrophobicContact CE3-CD1 3.51Å; W157-I212 HydrophobicContact CE3-CG1 3.45Å; W157-I212 VanDerWaalsContact CE3-CG1 3.45Å; W157-I212 HydrophobicContact CE3-CG2 4.19Å; W157-I212 HydrophobicContact CG-CD1 4.01Å; W157-I212 HydrophobicContact CH2-CG2 4.1Å; W157-I212 HydrophobicContact CZ2-CG2 4.49Å; W157-I212 HydrophobicContact CZ3-CB 4.31Å; W157-I212 HydrophobicContact CZ3-CD1 4.26Å; W157-I212 HydrophobicContact CZ3-CG1 3.76Å; W157-I212 HydrophobicContact CZ3-CG2 3.94Å; W157-L215 HydrophobicContact CZ3-CD1 4.31Å
158L98.4Very high96.4Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-61.6-38.9177.8-76173.4000112.3S154 A155 E156 L162 I198 V202 A208 C211 I212 L215S154-L158 VanDerWaalsContact O-CG 3.3Å; S154-L158 WeakPolarHBondContact O-CG 3.47Å; S154-L158 PolarHBondContact O-N 3.46Å; A155-L158 WeakPolarHBondContact O-CB 3.39Å; A155-L158 PolarHBondContact O-N 3.32Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.34Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 3.38Å; L158-I198 HydrophobicContact CB-CG2 4.1Å; L158-I198 HydrophobicContact CD2-CG1 4.22Å; L158-V202 HydrophobicContact CB-CG2 3.86Å; L158-A208 HydrophobicContact CD1-CB 3.82Å; L158-C211 HydrophobicContact CD1-CB 3.96Å; L158-C211 HydrophobicContact CD2-CB 4.35Å; L158-I212 HydrophobicContact CD2-CG1 3.9Å; L158-I212 HydrophobicContact CG-CG1 4.07Å; L158-L215 HydrophobicContact CD2-CD1 3.58Å
159K97.8Very high96.4Very high98 Ų9841.9 Ų41.943%0.42621%0.207SC..Hα-helixtrans-64.4-47174.7-65.2178-159.1156.50111.5A155 E156 W157 L162 Q163 V202A155-K159 WeakPolarHBondContact O-CG 3.48Å; A155-K159 PolarHBondContact O-N 2.83Å; E156-K159 WeakPolarHBondContact O-CB 3.4Å; E156-K159 PolarHBondContact O-N 3.22Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-K159 IonicContact OE2-NZ 2.63Å; E156-K159 PolarHBondContact OE2-NZ 2.65Å; W157-K159 VanDerWaalsContact C-N 3.33Å; W157-K159 PolarHBondContact O-N 3.11Å; K159-L162 PolarHBondContact O-N 2.9Å; K159-Q163 PolarHBondContact O-N 3.34Å; K159-V202 HydrophobicContact CD-CG1 4.46Å; K159-V202 HydrophobicContact CG-CG1 4.08Å; K159-V202 HydrophobicContact CG-CG2 3.85Å
160V96.2Very high96.3Very high56 Ų5646.8 Ų46.834%0.33923%0.23SC..Hα-helixtrans-61.6-46178174.70000110.4E156 W157 L162 Q163 L164E156-V160 WeakPolarHBondContact O-CG2 3.35Å; E156-V160 PolarHBondContact O-N 2.8Å; W157-V160 PolarHBondContact O-N 3.48Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.09Å; V160-Q163 PolarHBondContact O-N 3Å; V160-L164 VanDerWaalsContact O-CB 3.23Å; V160-L164 WeakPolarHBondContact O-CB 3.21Å; V160-L164 PolarHBondContact O-N 3.18Å
161F97.9Very high96.3Very high0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-57.7-43.8176.1175.4-94.4000112.2I111 I112 F113 W157 N165 L169 W194 I198 L215I111-F161 HydrophobicContact CG2-CE2 4.32Å; I111-F161 HydrophobicContact CG2-CZ 4.21Å; I112-F161 WeakPolarHBondContact O-CD2 3.31Å; I112-F161 VanDerWaalsContact O-CE2 3.29Å; I112-F161 WeakPolarHBondContact O-CE2 3.41Å; F113-F161 HydrophobicContact CD1-CD2 4.26Å; F113-F161 AromaticContact CD1-CE2 3.65Å; F113-F161 HydrophobicContact CD1-CE2 3.65Å; F113-F161 HydrophobicContact CD1-CZ 4.35Å; F113-F161 HydrophobicContact CD2-CE2 4.06Å; F113-F161 HydrophobicContact CE1-CD2 4.42Å; F113-F161 AromaticContact CE1-CE2 3.52Å; F113-F161 HydrophobicContact CE1-CE2 3.52Å; F113-F161 AromaticContact CE1-CZ 3.76Å; F113-F161 HydrophobicContact CE1-CZ 3.76Å; F113-F161 AromaticContact CE2-CE2 3.94Å; F113-F161 HydrophobicContact CE2-CE2 3.94Å; F113-F161 HydrophobicContact CE2-CZ 4.18Å; F113-F161 AromaticContact CG-CE2 3.91Å; F113-F161 HydrophobicContact CG-CE2 3.91Å; F113-F161 AromaticContact CZ-CE2 3.66Å; F113-F161 HydrophobicContact CZ-CE2 3.66Å; F113-F161 AromaticContact CZ-CZ 3.64Å; F113-F161 HydrophobicContact CZ-CZ 3.64Å; W157-F161 HydrophobicContact CD2-CB 4.46Å; W157-F161 HydrophobicContact CE3-CB 3.97Å; W157-F161 HydrophobicContact CH2-CB 3.9Å; W157-F161 AromaticContact CH2-CD2 3.51Å; W157-F161 HydrophobicContact CH2-CD2 3.51Å; W157-F161 HydrophobicContact CH2-CE2 4.21Å; W157-F161 AromaticContact CH2-CG 3.75Å; W157-F161 HydrophobicContact CH2-CG 3.75Å; W157-F161 HydrophobicContact CZ2-CB 4.39Å; W157-F161 HydrophobicContact CZ2-CD2 4.1Å; W157-F161 HydrophobicContact CZ3-CB 3.67Å; W157-F161 HydrophobicContact CZ3-CD1 4.41Å; W157-F161 HydrophobicContact CZ3-CD2 4.06Å; W157-F161 AromaticContact CZ3-CG 3.78Å; W157-F161 HydrophobicContact CZ3-CG 3.78Å; W157-F161 WeakPolarHBondContact O-CB 3.4Å; W157-F161 PolarHBondContact O-N 2.87Å; F161-N165 VanDerWaalsContact CD2-ND2 3.34Å; F161-N165 WeakPolarHBondContact CD2-ND2 3.39Å; F161-N165 VanDerWaalsContact CE2-ND2 3.31Å; F161-N165 WeakPolarHBondContact CE2-ND2 3.29Å; F161-N165 WeakPolarHBondContact O-CB 3.28Å; F161-N165 PolarHBondContact O-N 3.35Å; F161-N165 VanDerWaalsContact O-N 3.1Å; F161-N165 PolarHBondContact O-ND2 3.23Å; F161-L169 HydrophobicContact CE1-CD1 4.25Å; F161-W194 HydrophobicContact CZ-CZ3 4.4Å; F161-I198 HydrophobicContact CD1-CD1 3.75Å; F161-I198 HydrophobicContact CE1-CD1 3.85Å; F161-L215 HydrophobicContact CD1-CD1 4.23Å; F161-L215 HydrophobicContact CE1-CD1 4.14Å
162L97.3Very high96.2Very high16 Ų1656.4 Ų56.48%0.08427%0.272CS..Hα-helixtrans-63.8-46177.1-179.660.9000111.5L158 K159 V160 R166 L169 V195 I198L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 PolarHBondContact O-N 3.38Å; K159-L162 PolarHBondContact O-N 2.9Å; V160-L162 VanDerWaalsContact C-N 3.32Å; V160-L162 PolarHBondContact O-N 3.09Å; L162-R166 WeakPolarHBondContact O-CA 3.01Å; L162-R166 VanDerWaalsContact O-CB 3.29Å; L162-R166 WeakPolarHBondContact O-CB 3.44Å; L162-R166 PolarHBondContact O-N 3.34Å; L162-L169 HydrophobicContact CD1-CD1 3.94Å; L162-V195 HydrophobicContact CD1-CG1 4.34Å; L162-V195 HydrophobicContact CD1-CG2 4.17Å; L162-I198 HydrophobicContact CB-CD1 4.39Å; L162-I198 HydrophobicContact CB-CG2 4.02Å; L162-I198 HydrophobicContact CD1-CD1 4.16Å; L162-I198 HydrophobicContact CD2-CG2 4.09Å
163Q95.7Very high96.1Very high125 Ų12559.1 Ų59.158%0.58428%0.277SS*.Hα-helixtrans-62.6-46.3178.7-176178.7-9.300111.6L18 K159 V160 N165L18-Q163 HydrophobicContact CD1-CG 3.97Å; K159-Q163 PolarHBondContact O-N 3.34Å; V160-Q163 PolarHBondContact O-N 3Å; Q163-N165 VanDerWaalsContact C-N 3.35Å; Q163-N165 PolarHBondContact O-N 3.3Å
164L96.4Very high96.1Very high12 Ų1255.8 Ų55.86%0.06327%0.265CS..Hα-helixtrans-58.6-43.4179.8-177.564.6000112.8L18 F19 I112 P114 V160L18-L164 HydrophobicContact CD1-CB 4.4Å; L18-L164 HydrophobicContact CD1-CD1 4.14Å; L18-L164 HydrophobicContact CD2-CD1 4.32Å; L18-L164 HydrophobicContact CG-CD1 3.73Å; F19-L164 HydrophobicContact CD1-CD1 3.39Å; F19-L164 HydrophobicContact CE1-CD1 3.36Å; F19-L164 HydrophobicContact CE1-CG 4.45Å; F19-L164 HydrophobicContact CG-CD1 4.47Å; F19-L164 HydrophobicContact CZ-CD1 4.44Å; I112-L164 HydrophobicContact CB-CD2 3.75Å; I112-L164 HydrophobicContact CB-CG 4.33Å; I112-L164 HydrophobicContact CD1-CD1 4.34Å; I112-L164 HydrophobicContact CD1-CD2 4.48Å; I112-L164 HydrophobicContact CD1-CG 4.42Å; I112-L164 HydrophobicContact CG2-CD2 3.67Å; P114-L164 HydrophobicContact CB-CD2 4.18Å; P114-L164 HydrophobicContact CG-CD2 3.57Å; V160-L164 VanDerWaalsContact O-CB 3.23Å; V160-L164 WeakPolarHBondContact O-CB 3.21Å; V160-L164 PolarHBondContact O-N 3.18Å
165N97Very high96.1Very high3 Ų359.1 Ų59.12%0.01629%0.286CS..Hα-helixtrans-102.12.2-172.6-64-75.4000113.9I111 I112 F161 Q163 P167 L168 L169I111-N165 WeakPolarHBondContact CA-OD1 3.15Å; I112-N165 PolarHBondContact N-OD1 2.81Å; I112-N165 PolarHBondContact O-ND2 3.27Å; F161-N165 VanDerWaalsContact CD2-ND2 3.34Å; F161-N165 WeakPolarHBondContact CD2-ND2 3.39Å; F161-N165 VanDerWaalsContact CE2-ND2 3.31Å; F161-N165 WeakPolarHBondContact CE2-ND2 3.29Å; F161-N165 WeakPolarHBondContact O-CB 3.28Å; F161-N165 PolarHBondContact O-N 3.35Å; F161-N165 VanDerWaalsContact O-N 3.1Å; F161-N165 PolarHBondContact O-ND2 3.23Å; Q163-N165 VanDerWaalsContact C-N 3.35Å; Q163-N165 PolarHBondContact O-N 3.3Å; N165-P167 VanDerWaalsContact C-CD 3.5Å; N165-L168 PolarHBondContact O-N 2.89Å; N165-L169 HydrophobicContact CB-CD1 3.86Å; N165-L169 HydrophobicContact CB-CG 3.87Å; N165-L169 WeakPolarHBondContact O-CG 3.39Å; N165-L169 PolarHBondContact O-N 3.4Å
166R94.7Very high96.1Very high112 Ų11259 Ų5942%0.42328%0.284SS..Hα-helixtrans-46.4-52.1-172.4177.8179.2-65.1-79.30113.9L162 L168 L169 E170L162-R166 WeakPolarHBondContact O-CA 3.01Å; L162-R166 VanDerWaalsContact O-CB 3.29Å; L162-R166 WeakPolarHBondContact O-CB 3.44Å; L162-R166 PolarHBondContact O-N 3.34Å; R166-L168 PolarHBondContact O-N 3.45Å; R166-L169 PolarHBondContact O-N 3.01Å; R166-E170 WeakPolarHBondContact CD-OE1 3.49Å; R166-E170 HydrophobicContact CG-CG 4.3Å; R166-E170 WeakPolarHBondContact CG-OE1 3.27Å; R166-E170 IonicContact NH1-OE1 3.12Å; R166-E170 PolarHBondContact NH1-OE1 2.69Å; R166-E170 WeakPolarHBondContact O-CB 3.44Å; R166-E170 WeakPolarHBondContact O-CG 3.28Å; R166-E170 PolarHBondContact O-N 2.68Å
167P92.4Very high96Very high100 Ų10057 Ų5765%0.64928%0.28SS*.Hα-helixtrans-61.5-31.1-177-22.134.4000113.2N165 K171N165-P167 VanDerWaalsContact C-CD 3.5Å; P167-K171 WeakPolarHBondContact O-CB 3.46Å
168L94Very high95.8Very high22 Ų2260.6 Ų60.612%0.11529%0.294CS..Hα-helixtrans-83.9-41.4-179.2-172.357.7000111.5K109 W110 I111 N165 R166 E170 K171 I172 P229K109-L168 WeakPolarHBondContact O-CD2 3.5Å; W110-L168 VanDerWaalsContact C-CD2 3.47Å; I111-L168 HydrophobicContact CB-CD2 4.22Å; I111-L168 HydrophobicContact CG1-CD2 3.37Å; I111-L168 HydrophobicContact CG1-CG 4.14Å; N165-L168 PolarHBondContact O-N 2.89Å; R166-L168 PolarHBondContact O-N 3.45Å; L168-E170 PolarHBondContact O-N 2.91Å; L168-K171 PolarHBondContact O-N 3.43Å; L168-I172 HydrophobicContact CD1-CG2 3.89Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 HydrophobicContact CG-CG2 4.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 3.22Å; L168-P229 HydrophobicContact CD2-CB 4.48Å
169L95.9Very high95.6Very high1 Ų165.4 Ų65.41%0.00532%0.316CS..Hα-helixtrans-62.3-41.2176.8-67.5176.8000111.9F161 L162 N165 R166 K171 K173 P174 W194 V195 I198F161-L169 HydrophobicContact CE1-CD1 4.25Å; L162-L169 HydrophobicContact CD1-CD1 3.94Å; N165-L169 HydrophobicContact CB-CD1 3.86Å; N165-L169 HydrophobicContact CB-CG 3.87Å; N165-L169 WeakPolarHBondContact O-CG 3.39Å; N165-L169 PolarHBondContact O-N 3.4Å; R166-L169 PolarHBondContact O-N 3.01Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.31Å; L169-K173 VanDerWaalsContact O-CA 3.28Å; L169-K173 WeakPolarHBondContact O-CA 3.31Å; L169-K173 PolarHBondContact O-N 3.37Å; L169-P174 HydrophobicContact CD2-CG 3.72Å; L169-W194 HydrophobicContact CD2-CE3 3.93Å; L169-W194 HydrophobicContact CD2-CZ3 4.48Å; L169-V195 HydrophobicContact CB-CG2 4.41Å; L169-I198 HydrophobicContact CD1-CD1 4.38Å
170E94.1Very high95.4Very high107 Ų10761.3 Ų61.350%0.530%0.299SS..Hα-helixtrans-65.8-31.2176.3-72.6173.1-17800112.4R166 L168 K173R166-E170 WeakPolarHBondContact CD-OE1 3.49Å; R166-E170 HydrophobicContact CG-CG 4.3Å; R166-E170 WeakPolarHBondContact CG-OE1 3.27Å; R166-E170 IonicContact NH1-OE1 3.12Å; R166-E170 PolarHBondContact NH1-OE1 2.69Å; R166-E170 WeakPolarHBondContact O-CB 3.44Å; R166-E170 WeakPolarHBondContact O-CG 3.28Å; R166-E170 PolarHBondContact O-N 2.68Å; L168-E170 PolarHBondContact O-N 2.91Å; E170-K173 VanDerWaalsContact O-CE 3.23Å; E170-K173 WeakPolarHBondContact O-CE 3.33Å; E170-K173 WeakPolarHBondContact O-CG 3.08Å
171K94.4Very high95.3Very high163 Ų16361.9 Ų61.971%0.70930%0.298SS*.Hα-helixtrans-78-50.2178.9-177.8-178.9177.3-176.70112.9P167 L168 L169P167-K171 WeakPolarHBondContact O-CB 3.46Å; L168-K171 PolarHBondContact O-N 3.43Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.31Å
172I94.2Very high95Very high57 Ų5762 Ų6229%0.29230%0.299SS..Hα-helixtrans-87.7-22.9-173.474.3-172.3000112.6I111 L168 P174 L222 P229I111-I172 HydrophobicContact CD1-CD1 3.71Å; I111-I172 HydrophobicContact CG1-CD1 4.39Å; L168-I172 HydrophobicContact CD1-CG2 3.89Å; L168-I172 HydrophobicContact CG-CD1 4.3Å; L168-I172 HydrophobicContact CG-CG2 4.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.45Å; L168-I172 PolarHBondContact O-N 3.22Å; I172-P174 HydrophobicContact CD1-CB 4.33Å; I172-P174 HydrophobicContact CD1-CG 4.01Å; I172-P174 HydrophobicContact CG1-CB 4.24Å; I172-P174 HydrophobicContact CG1-CG 3.9Å; I172-L222 HydrophobicContact CD1-CD2 4.11Å; I172-P229 HydrophobicContact CD1-CG 3.88Å
173K95.5Very high94.8Very high152 Ų15262.9 Ų62.966%0.66131%0.305SS*.  trans45.361.1-179.2-59.9-176.8179.6-179.50112.4L169 E170L169-K173 VanDerWaalsContact O-CA 3.28Å; L169-K173 WeakPolarHBondContact O-CA 3.31Å; L169-K173 PolarHBondContact O-N 3.37Å; E170-K173 VanDerWaalsContact O-CE 3.23Å; E170-K173 WeakPolarHBondContact O-CE 3.33Å; E170-K173 WeakPolarHBondContact O-CG 3.08Å
174P96.6Very high94.5Very high10 Ų1065.6 Ų65.67%0.06532%0.315CS..  trans-69.9145.5-174.730.5-25.5000109.6L169 I172 W194 L222L169-P174 HydrophobicContact CD2-CG 3.72Å; I172-P174 HydrophobicContact CD1-CB 4.33Å; I172-P174 HydrophobicContact CD1-CG 4.01Å; I172-P174 HydrophobicContact CG1-CB 4.24Å; I172-P174 HydrophobicContact CG1-CG 3.9Å; P174-W194 HydrophobicContact CB-CD2 3.78Å; P174-W194 HydrophobicContact CB-CE3 4.29Å; P174-W194 HydrophobicContact CB-CG 3.99Å; P174-W194 HydrophobicContact CB-CZ2 4.15Å; P174-W194 HydrophobicContact CG-CB 3.99Å; P174-W194 HydrophobicContact CG-CD2 3.51Å; P174-W194 HydrophobicContact CG-CE3 3.71Å; P174-W194 HydrophobicContact CG-CG 3.66Å; P174-W194 HydrophobicContact CG-CZ3 4.34Å; P174-W194 VanDerWaalsContact O-CD1 3.3Å; P174-W194 PolarHBondContact O-N 2.69Å; P174-L222 HydrophobicContact CB-CD2 3.86Å
175V97.2Very high94.3Very high76 Ų7674.2 Ų74.246%0.46135%0.352SS..BIsolated β-bridgetrans-118.6157.9-177.8-61.50000110.7G191 T192 W194V175-G191 VanDerWaalsContact CG1-O 3.27Å; V175-G191 WeakPolarHBondContact CG1-O 3.36Å; V175-T192 CarbonylContact C-O 3.53Å; V175-T192 VanDerWaalsContact CA-O 3.27Å; V175-T192 WeakPolarHBondContact CA-O 3.41Å; V175-W194 PolarHBondContact O-NE1 3.2Å
176V96.9Very high94.1Very high3 Ų375.1 Ų75.12%0.01836%0.357CS..  trans-76.1128.3173.8-171.80000109.2R178 V180 G191 T192 L197 I214 E218V176-R178 VanDerWaalsContact C-N 3.28Å; V176-R178 WeakPolarHBondContact CG1-O 3.21Å; V176-R178 PolarHBondContact O-N 2.91Å; V176-V180 HydrophobicContact CG1-CG2 4.01Å; V176-G191 PolarHBondContact O-N 2.88Å; V176-T192 PolarHBondContact N-O 2.81Å; V176-L197 HydrophobicContact CG2-CD2 4.01Å; V176-I214 HydrophobicContact CG1-CG2 4.23Å; V176-E218 HydrophobicContact CG1-CG 4.2Å
177S95.1Very high94.1Very high49 Ų4973.2 Ų73.234%0.34335%0.354SS..SBendtrans-78.5-4.5-173.7850000115.1E218 L221S177-E218 VanDerWaalsContact CB-OE2 3.27Å; S177-E218 WeakPolarHBondContact CB-OE2 3.35Å; S177-E218 PolarHBondContact N-OE2 2.76Å; S177-E218 PolarHBondContact OG-OE2 3.11Å; S177-L221 VanDerWaalsContact OG-CD1 3.29Å; S177-L221 WeakPolarHBondContact OG-CD1 3.12Å
178R94Very high94.2Very high111 Ų11169.4 Ų69.442%0.41933%0.328SS..SBendtrans-155.7156.3179.965.5-178-169.6173.37.1111V176 R217V176-R178 VanDerWaalsContact C-N 3.28Å; V176-R178 WeakPolarHBondContact CG1-O 3.21Å; V176-R178 PolarHBondContact O-N 2.91Å; R178-R217 VanDerWaalsContact NE-NH1 3.19Å
179Q94.9Very high94.3Very high101 Ų10172 Ų7247%0.47235%0.346SS..  trans-57.1139.6173.1-178.6166.9-59.900111.5E181 I187 M188Q179-E181 HydrophobicContact CG-CG 4.24Å; Q179-E181 PolarHBondContact NE2-OE1 3.29Å; Q179-I187 HydrophobicContact CG-CG2 3.72Å; Q179-M188 WeakPolarHBondContact CA-O 3.19Å
180V93.4Very high94.3Very high11 Ų1178.5 Ų78.57%0.06738%0.376CS..EExtended strand (participates in β ladder)trans-121.4134.7175.2179.40000109V176 W182 I187 M188 I214V176-V180 HydrophobicContact CG1-CG2 4.01Å; V180-W182 HydrophobicContact CB-CH2 4.1Å; V180-W182 HydrophobicContact CB-CZ3 4.26Å; V180-W182 HydrophobicContact CG1-CD2 4.18Å; V180-W182 HydrophobicContact CG1-CE3 4.13Å; V180-W182 HydrophobicContact CG1-CH2 3.47Å; V180-W182 VanDerWaalsContact CG1-CH2 3.47Å; V180-W182 HydrophobicContact CG1-CZ2 3.5Å; V180-W182 VanDerWaalsContact CG1-CZ2 3.5Å; V180-W182 HydrophobicContact CG1-CZ3 3.78Å; V180-I187 CarbonylContact O-C 3.39Å; V180-I187 WeakPolarHBondContact O-CA 3.4Å; V180-M188 PolarHBondContact N-O 3.39Å; V180-M188 PolarHBondContact O-N 3.46Å; V180-I214 HydrophobicContact CB-CD1 4.37Å; V180-I214 HydrophobicContact CG1-CD1 3.46Å; V180-I214 VanDerWaalsContact CG1-CD1 3.46Å; V180-I214 HydrophobicContact CG1-CG1 4.42Å; V180-I214 HydrophobicContact CG2-CD1 4.06Å; V180-I214 HydrophobicContact CG2-CG1 4.37Å; V180-I214 HydrophobicContact CG2-CG2 4.33Å
181E93Very high94.4Very high69 Ų6975.4 Ų75.432%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-128.1124.7-179.2-59.5-179.7-160.600110Y134 Q179 I187Y134-E181 HydrophobicContact CD1-CB 4.11Å; Y134-E181 HydrophobicContact CE1-CB 4.21Å; Q179-E181 HydrophobicContact CG-CG 4.24Å; Q179-E181 PolarHBondContact NE2-OE1 3.29Å; E181-I187 HydrophobicContact CG-CG1 4.09Å; E181-I187 HydrophobicContact CG-CG2 4.07Å
182W93.1Very high94.6Very high1 Ų168.8 Ų68.80%0.00435%0.347CS..SBendtrans-102.8-32.7169.2-65.4-80.9000111.4N132 Y134 V180 D186 M188 L197 F200 Y207 D210 I214N132-W182 PolarHBondContact ND2-O 3.26Å; N132-W182 PolarHBondContact OD1-O 3.02Å; Y134-W182 WeakPolarHBondContact CD2-O 3.49Å; Y134-W182 VanDerWaalsContact CG-O 3.32Å; V180-W182 HydrophobicContact CB-CH2 4.1Å; V180-W182 HydrophobicContact CB-CZ3 4.26Å; V180-W182 HydrophobicContact CG1-CD2 4.18Å; V180-W182 HydrophobicContact CG1-CE3 4.13Å; V180-W182 HydrophobicContact CG1-CH2 3.47Å; V180-W182 VanDerWaalsContact CG1-CH2 3.47Å; V180-W182 HydrophobicContact CG1-CZ2 3.5Å; V180-W182 VanDerWaalsContact CG1-CZ2 3.5Å; V180-W182 HydrophobicContact CG1-CZ3 3.78Å; W182-D186 HydrophobicContact CB-CB 4.23Å; W182-D186 PolarHBondContact N-O 2.91Å; W182-M188 HydrophobicContact CH2-CB 4.42Å; W182-M188 HydrophobicContact CH2-CG 4.19Å; W182-M188 HydrophobicContact CH2-SD 3.54Å; W182-M188 VanDerWaalsContact CH2-SD 3.54Å; W182-M188 HydrophobicContact CZ3-CB 4Å; W182-M188 HydrophobicContact CZ3-CG 3.67Å; W182-M188 HydrophobicContact CZ3-SD 3.57Å; W182-M188 VanDerWaalsContact CZ3-SD 3.57Å; W182-L197 HydrophobicContact CH2-CD1 3.64Å; W182-L197 HydrophobicContact CZ2-CD1 4.02Å; W182-F200 AromaticContact CD2-CE1 3.76Å; W182-F200 HydrophobicContact CD2-CE1 3.76Å; W182-F200 HydrophobicContact CD2-CZ 4.2Å; W182-F200 AromaticContact CE2-CE1 4Å; W182-F200 HydrophobicContact CE3-CD1 4.45Å; W182-F200 AromaticContact CE3-CE1 3.48Å; W182-F200 HydrophobicContact CE3-CE1 3.48Å; W182-F200 VanDerWaalsContact CE3-CE1 3.48Å; W182-F200 AromaticContact CE3-CZ 3.68Å; W182-F200 HydrophobicContact CE3-CZ 3.68Å; W182-F200 AromaticContact CH2-CD1 3.9Å; W182-F200 HydrophobicContact CH2-CD1 3.9Å; W182-F200 AromaticContact CH2-CE1 3.67Å; W182-F200 HydrophobicContact CH2-CE1 3.67Å; W182-F200 HydrophobicContact CZ2-CD1 4.3Å; W182-F200 AromaticContact CZ2-CE1 3.95Å; W182-F200 HydrophobicContact CZ2-CE1 3.95Å; W182-F200 AromaticContact CZ3-CD1 4Å; W182-F200 HydrophobicContact CZ3-CD1 4Å; W182-F200 AromaticContact CZ3-CE1 3.44Å; W182-F200 HydrophobicContact CZ3-CE1 3.44Å; W182-F200 VanDerWaalsContact CZ3-CE1 3.44Å; W182-F200 AromaticContact CZ3-CZ 3.89Å; W182-F200 HydrophobicContact CZ3-CZ 3.89Å; W182-Y207 HydrophobicContact CB-CD1 4Å; W182-Y207 HydrophobicContact CB-CD2 4.15Å; W182-Y207 HydrophobicContact CB-CE1 3.79Å; W182-Y207 HydrophobicContact CB-CE2 3.9Å; W182-Y207 HydrophobicContact CB-CG 4.18Å; W182-Y207 AromaticContact CD1-CD1 3.57Å; W182-Y207 AromaticContact CD1-CG 3.65Å; W182-Y207 HydrophobicContact CD2-CD2 4.38Å; W182-Y207 HydrophobicContact CD2-CG 4.33Å; W182-Y207 AromaticContact CG-CD1 3.86Å; W182-Y207 HydrophobicContact CG-CD1 3.86Å; W182-Y207 AromaticContact CG-CD2 4Å; W182-Y207 HydrophobicContact CG-CD2 4Å; W182-Y207 HydrophobicContact CG-CE1 4.18Å; W182-Y207 HydrophobicContact CG-CE2 4.26Å; W182-Y207 AromaticContact CG-CG 3.76Å; W182-Y207 HydrophobicContact CG-CG 3.76Å; W182-D210 VanDerWaalsContact CD1-OD2 3.31Å; W182-D210 PolarHBondContact NE1-OD2 3.41Å; W182-I214 HydrophobicContact CH2-CD1 4.29Å; W182-I214 HydrophobicContact CZ2-CD1 3.55Å
183T92.3Very high94.7Very high36 Ų3667.4 Ų67.422%0.22134%0.342CS..SBendtrans-148.2171.8172.772.80000109.1K185 D186 Y207T183-K185 PolarHBondContact O-N 3.39Å; T183-K185 PolarHBondContact OG1-N 3.04Å; T183-D186 HydrophobicContact CG2-CB 4.48Å; T183-D186 PolarHBondContact N-O 3.43Å; T183-D186 CarbonylContact O-C 3.49Å; T183-D186 PolarHBondContact O-N 3.26Å; T183-D186 VanDerWaalsContact O-N 3.11Å; T183-D186 VanDerWaalsContact OG1-CB 3.32Å; T183-D186 WeakPolarHBondContact OG1-CB 3.02Å; T183-D186 PolarHBondContact OG1-N 2.74Å; T183-D186 PolarHBondContact OG1-OD2 2.86Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.41Å
184K89.8Confident94.8Very high181 Ų18160.2 Ų60.279%0.78731%0.311SS*.SBendtrans-54.2-23.7171.4-62.2-174.8179.4-179.20114.2Y134Y134-K184 WeakPolarHBondContact OH-CG 3.49Å
185K92.4Very high94.9Very high193 Ų19361.7 Ų61.784%0.83932%0.319SS*.SBendtrans-102.7-24.5179.1-64.6-175.2179-178.10112.8T183T183-K185 PolarHBondContact O-N 3.39Å; T183-K185 PolarHBondContact OG1-N 3.04Å
186D92.9Very high94.9Very high22 Ų2262 Ų6212%0.11832%0.318CS..  trans-105.688.1-173.7-63.4-19.4000108.9W182 T183 F200 R204 Y207W182-D186 HydrophobicContact CB-CB 4.23Å; W182-D186 PolarHBondContact N-O 2.91Å; T183-D186 HydrophobicContact CG2-CB 4.48Å; T183-D186 PolarHBondContact N-O 3.43Å; T183-D186 CarbonylContact O-C 3.49Å; T183-D186 PolarHBondContact O-N 3.26Å; T183-D186 VanDerWaalsContact O-N 3.11Å; T183-D186 VanDerWaalsContact OG1-CB 3.32Å; T183-D186 WeakPolarHBondContact OG1-CB 3.02Å; T183-D186 PolarHBondContact OG1-N 2.74Å; T183-D186 PolarHBondContact OG1-OD2 2.86Å; D186-F200 HydrophobicContact CB-CZ 4.36Å; D186-R204 IonicContact OD1-CZ 3.32Å; D186-R204 IonicContact OD1-NH1 3.95Å; D186-R204 PolarHBondContact OD1-NH1 2.96Å; D186-R204 IonicContact OD1-NH2 3.69Å; D186-R204 IonicContact OD2-NH1 2.61Å; D186-R204 PolarHBondContact OD2-NH1 2.88Å; D186-Y207 HydrophobicContact CB-CE2 4.4Å; D186-Y207 WeakPolarHBondContact OD2-CE2 3.45Å; D186-Y207 PolarHBondContact OD2-OH 2.93Å
187I93.8Very high94.9Very high73 Ų7361.8 Ų61.837%0.37432%0.317SS..EExtended strand (participates in β ladder)trans-125.8132.5-176.8-54.5178.4000107.7Q179 V180 E181Q179-I187 HydrophobicContact CG-CG2 3.72Å; V180-I187 CarbonylContact O-C 3.39Å; V180-I187 WeakPolarHBondContact O-CA 3.4Å; E181-I187 HydrophobicContact CG-CG1 4.09Å; E181-I187 HydrophobicContact CG-CG2 4.07Å
188M94.6Very high95.1Very high20 Ų2059.5 Ų59.510%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-112.3117.4168.8-75.8178.891.500109Q179 V180 W182 T192 D196 L197 F200Q179-M188 WeakPolarHBondContact CA-O 3.19Å; V180-M188 PolarHBondContact N-O 3.39Å; V180-M188 PolarHBondContact O-N 3.46Å; W182-M188 HydrophobicContact CH2-CB 4.42Å; W182-M188 HydrophobicContact CH2-CG 4.19Å; W182-M188 HydrophobicContact CH2-SD 3.54Å; W182-M188 VanDerWaalsContact CH2-SD 3.54Å; W182-M188 HydrophobicContact CZ3-CB 4Å; W182-M188 HydrophobicContact CZ3-CG 3.67Å; W182-M188 HydrophobicContact CZ3-SD 3.57Å; W182-M188 VanDerWaalsContact CZ3-SD 3.57Å; M188-T192 HydrophobicContact CE-CG2 3.33Å; M188-D196 HydrophobicContact CE-CB 4.32Å; M188-L197 VanDerWaalsContact CE-CA 3.49Å; M188-L197 HydrophobicContact CE-CB 4.11Å; M188-L197 HydrophobicContact CE-CD1 4.35Å; M188-L197 HydrophobicContact SD-CD1 3.79Å; M188-F200 HydrophobicContact CE-CB 4.2Å; M188-F200 HydrophobicContact SD-CB 3.99Å; M188-F200 HydrophobicContact SD-CD1 3.9Å; M188-F200 HydrophobicContact SD-CD2 4.37Å; M188-F200 HydrophobicContact SD-CE1 4.48Å; M188-F200 HydrophobicContact SD-CG 3.83Å
189P96.1Very high95.3Very high75 Ų7558 Ų5849%0.48730%0.301SS..  trans-67.9159.6-178.428.9-34.5000111.5T192P189-T192 WeakPolarHBondContact CD-OG1 3.42Å; P189-T192 WeakPolarHBondContact O-CB 3.13Å; P189-T192 PolarHBondContact O-N 3.15Å; P189-T192 PolarHBondContact O-OG1 2.96Å
190E96.4Very high95.4Very high138 Ų13854.8 Ų54.865%0.64529%0.286SS*.THydrogen-bonded Turntrans-53.7141.7166.3-179.2178.1163.700110.6T192E190-T192 VanDerWaalsContact C-N 3.34Å
191G96.6Very high95.6Very high43 Ų4354.2 Ų54.244%0.44328%0.283SS..THydrogen-bonded Turntrans89.1-4.1-178.100000114.3V175 V176V175-G191 VanDerWaalsContact CG1-O 3.27Å; V175-G191 WeakPolarHBondContact CG1-O 3.36Å; V176-G191 PolarHBondContact O-N 2.88Å
192T97.1Very high95.8Very high24 Ų2452.8 Ų52.815%0.14728%0.279CS..  trans-64.1138.1174-53.40000110.6V175 V176 M188 P189 E190 D196V175-T192 CarbonylContact C-O 3.53Å; V175-T192 VanDerWaalsContact CA-O 3.27Å; V175-T192 WeakPolarHBondContact CA-O 3.41Å; V176-T192 PolarHBondContact N-O 2.81Å; M188-T192 HydrophobicContact CE-CG2 3.33Å; P189-T192 WeakPolarHBondContact CD-OG1 3.42Å; P189-T192 WeakPolarHBondContact O-CB 3.13Å; P189-T192 PolarHBondContact O-N 3.15Å; P189-T192 PolarHBondContact O-OG1 2.96Å; E190-T192 VanDerWaalsContact C-N 3.34Å; T192-D196 HydrophobicContact CG2-CB 3.78Å
193S97.3Very high96Very high28 Ų2856.8 Ų56.820%0.19631%0.312CS..BIsolated β-bridgetrans-68.1149.8-17883.90000111.7V195 D196 L197S193-V195 PolarHBondContact O-N 3.44Å; S193-V195 PolarHBondContact OG-N 2.93Å; S193-D196 WeakPolarHBondContact CB-OD2 3.45Å; S193-D196 PolarHBondContact O-N 3.35Å; S193-D196 PolarHBondContact OG-N 3.5Å; S193-D196 PolarHBondContact OG-OD2 2.91Å; S193-L197 PolarHBondContact O-N 2.83Å
194W97.9Very high96.2Very high1 Ų160 Ų600%0.00432%0.32CS..Hα-helixtrans-60.9-32.1173.8-74.320.2000112.1I111 F113 F161 L169 P174 V175 D196 L197 I198 L215 E218 M219 L222I111-W194 HydrophobicContact CD1-CZ3 4.46Å; F113-W194 HydrophobicContact CZ-CH2 4.33Å; F113-W194 HydrophobicContact CZ-CZ3 4.02Å; F161-W194 HydrophobicContact CZ-CZ3 4.4Å; L169-W194 HydrophobicContact CD2-CE3 3.93Å; L169-W194 HydrophobicContact CD2-CZ3 4.48Å; P174-W194 HydrophobicContact CB-CD2 3.78Å; P174-W194 HydrophobicContact CB-CE3 4.29Å; P174-W194 HydrophobicContact CB-CG 3.99Å; P174-W194 HydrophobicContact CB-CZ2 4.15Å; P174-W194 HydrophobicContact CG-CB 3.99Å; P174-W194 HydrophobicContact CG-CD2 3.51Å; P174-W194 HydrophobicContact CG-CE3 3.71Å; P174-W194 HydrophobicContact CG-CG 3.66Å; P174-W194 HydrophobicContact CG-CZ3 4.34Å; P174-W194 VanDerWaalsContact O-CD1 3.3Å; P174-W194 PolarHBondContact O-N 2.69Å; V175-W194 PolarHBondContact O-NE1 3.2Å; W194-D196 VanDerWaalsContact C-N 3.34Å; W194-L197 WeakPolarHBondContact O-CB 3.46Å; W194-L197 PolarHBondContact O-N 3.07Å; W194-I198 WeakPolarHBondContact O-CB 3.29Å; W194-I198 WeakPolarHBondContact O-CD1 3.47Å; W194-I198 WeakPolarHBondContact O-CG1 3.35Å; W194-I198 PolarHBondContact O-N 3.2Å; W194-L215 HydrophobicContact CB-CD2 4.04Å; W194-L215 HydrophobicContact CD2-CD2 3.65Å; W194-L215 HydrophobicContact CE3-CD2 3.66Å; W194-L215 HydrophobicContact CG-CD2 3.83Å; W194-L215 HydrophobicContact CZ3-CD2 4.38Å; W194-E218 HydrophobicContact CH2-CB 4.37Å; W194-E218 HydrophobicContact CZ2-CB 3.38Å; W194-M219 HydrophobicContact CH2-CB 4.31Å; W194-L222 HydrophobicContact CH2-CD2 3.62Å; W194-L222 HydrophobicContact CZ2-CB 4.34Å; W194-L222 HydrophobicContact CZ2-CD2 3.82Å; W194-L222 HydrophobicContact CZ3-CD2 4.32Å
195V97.7Very high96.5Very high40 Ų4054.1 Ų54.124%0.24230%0.299CS..Hα-helixtrans-64-42.2177.1177.70000110.4L162 L169 S193 I198 N199L162-V195 HydrophobicContact CD1-CG1 4.34Å; L162-V195 HydrophobicContact CD1-CG2 4.17Å; L169-V195 HydrophobicContact CB-CG2 4.41Å; S193-V195 PolarHBondContact O-N 3.44Å; S193-V195 PolarHBondContact OG-N 2.93Å; V195-I198 PolarHBondContact O-N 2.76Å; V195-N199 WeakPolarHBondContact O-CB 3.33Å; V195-N199 VanDerWaalsContact O-CG 3.23Å; V195-N199 PolarHBondContact O-N 3.28Å; V195-N199 PolarHBondContact O-ND2 2.96Å
196D97.3Very high96.6Very high82 Ų8250.1 Ų50.144%0.43928%0.282SS..Hα-helixtrans-67.6-39.5176.3-60.5-40.4000111.8M188 T192 S193 W194 I198 N199 F200M188-D196 HydrophobicContact CE-CB 4.32Å; T192-D196 HydrophobicContact CG2-CB 3.78Å; S193-D196 WeakPolarHBondContact CB-OD2 3.45Å; S193-D196 PolarHBondContact O-N 3.35Å; S193-D196 PolarHBondContact OG-N 3.5Å; S193-D196 PolarHBondContact OG-OD2 2.91Å; W194-D196 VanDerWaalsContact C-N 3.34Å; D196-I198 VanDerWaalsContact C-N 3.33Å; D196-I198 PolarHBondContact O-N 3.21Å; D196-N199 PolarHBondContact O-N 3.06Å; D196-F200 VanDerWaalsContact O-CB 3.3Å; D196-F200 WeakPolarHBondContact O-CB 3.45Å; D196-F200 PolarHBondContact O-N 3.27Å
197L97.8Very high96.8Very high0 Ų049.5 Ų49.50%028%0.278CS..Hα-helixtrans-58.3-45.5172.5177.167.8000111.6V176 W182 M188 S193 W194 F200 G201 C211 I214 L215V176-L197 HydrophobicContact CG2-CD2 4.01Å; W182-L197 HydrophobicContact CH2-CD1 3.64Å; W182-L197 HydrophobicContact CZ2-CD1 4.02Å; M188-L197 VanDerWaalsContact CE-CA 3.49Å; M188-L197 HydrophobicContact CE-CB 4.11Å; M188-L197 HydrophobicContact CE-CD1 4.35Å; M188-L197 HydrophobicContact SD-CD1 3.79Å; S193-L197 PolarHBondContact O-N 2.83Å; W194-L197 WeakPolarHBondContact O-CB 3.46Å; W194-L197 PolarHBondContact O-N 3.07Å; L197-F200 WeakPolarHBondContact O-CB 3.38Å; L197-F200 PolarHBondContact O-N 3.36Å; L197-G201 PolarHBondContact O-N 3.39Å; L197-C211 HydrophobicContact CD1-CB 4.49Å; L197-I214 HydrophobicContact CD1-CD1 4.45Å; L197-I214 HydrophobicContact CD2-CB 4.15Å; L197-I214 HydrophobicContact CD2-CG2 3.56Å; L197-L215 HydrophobicContact CD2-CD2 3.94Å; L197-L215 HydrophobicContact CD2-CG 4.05Å
198I98.1Very high96.9Very high0 Ų046 Ų460%026%0.26CS..Hα-helixtrans-63.4-49.8177.9-69.8159.3000110.4L158 F161 L162 L169 W194 V195 D196 F200 G201 V202 L215L158-I198 HydrophobicContact CB-CG2 4.1Å; L158-I198 HydrophobicContact CD2-CG1 4.22Å; F161-I198 HydrophobicContact CD1-CD1 3.75Å; F161-I198 HydrophobicContact CE1-CD1 3.85Å; L162-I198 HydrophobicContact CB-CD1 4.39Å; L162-I198 HydrophobicContact CB-CG2 4.02Å; L162-I198 HydrophobicContact CD1-CD1 4.16Å; L162-I198 HydrophobicContact CD2-CG2 4.09Å; L169-I198 HydrophobicContact CD1-CD1 4.38Å; W194-I198 WeakPolarHBondContact O-CB 3.29Å; W194-I198 WeakPolarHBondContact O-CD1 3.47Å; W194-I198 WeakPolarHBondContact O-CG1 3.35Å; W194-I198 PolarHBondContact O-N 3.2Å; V195-I198 PolarHBondContact O-N 2.76Å; D196-I198 VanDerWaalsContact C-N 3.33Å; D196-I198 PolarHBondContact O-N 3.21Å; I198-F200 VanDerWaalsContact C-N 3.26Å; I198-F200 PolarHBondContact O-N 3.41Å; I198-G201 PolarHBondContact O-N 3.44Å; I198-G201 VanDerWaalsContact O-N 3.13Å; I198-V202 HydrophobicContact CG2-CG2 4.29Å; I198-V202 WeakPolarHBondContact O-CG2 3.31Å; I198-V202 PolarHBondContact O-N 2.79Å; I198-L215 HydrophobicContact CD1-CD1 4.36Å; I198-L215 HydrophobicContact CG1-CD1 3.86Å; I198-L215 HydrophobicContact CG1-CD2 4.45Å
199N97.9Very high97.1Very high79 Ų7945 Ų4542%0.42226%0.255SS..Hα-helixtrans-59.7-38.5179-71.4-28.1000111.7V195 D196 V202 A203V195-N199 WeakPolarHBondContact O-CB 3.33Å; V195-N199 VanDerWaalsContact O-CG 3.23Å; V195-N199 PolarHBondContact O-N 3.28Å; V195-N199 PolarHBondContact O-ND2 2.96Å; D196-N199 PolarHBondContact O-N 3.06Å; N199-V202 PolarHBondContact O-N 2.78Å; N199-A203 VanDerWaalsContact O-CB 3.29Å; N199-A203 WeakPolarHBondContact O-CB 3.21Å; N199-A203 PolarHBondContact O-N 3.46Å
200F97.4Very high97.1Very high34 Ų3442 Ų4215%0.14924%0.235CC..Hα-helixtrans-61-49.2173.4173.8-94.1000111.9W182 D186 M188 D196 L197 I198 V202 A203 R204 Y207W182-F200 AromaticContact CD2-CE1 3.76Å; W182-F200 HydrophobicContact CD2-CE1 3.76Å; W182-F200 HydrophobicContact CD2-CZ 4.2Å; W182-F200 AromaticContact CE2-CE1 4Å; W182-F200 HydrophobicContact CE3-CD1 4.45Å; W182-F200 AromaticContact CE3-CE1 3.48Å; W182-F200 HydrophobicContact CE3-CE1 3.48Å; W182-F200 VanDerWaalsContact CE3-CE1 3.48Å; W182-F200 AromaticContact CE3-CZ 3.68Å; W182-F200 HydrophobicContact CE3-CZ 3.68Å; W182-F200 AromaticContact CH2-CD1 3.9Å; W182-F200 HydrophobicContact CH2-CD1 3.9Å; W182-F200 AromaticContact CH2-CE1 3.67Å; W182-F200 HydrophobicContact CH2-CE1 3.67Å; W182-F200 HydrophobicContact CZ2-CD1 4.3Å; W182-F200 AromaticContact CZ2-CE1 3.95Å; W182-F200 HydrophobicContact CZ2-CE1 3.95Å; W182-F200 AromaticContact CZ3-CD1 4Å; W182-F200 HydrophobicContact CZ3-CD1 4Å; W182-F200 AromaticContact CZ3-CE1 3.44Å; W182-F200 HydrophobicContact CZ3-CE1 3.44Å; W182-F200 VanDerWaalsContact CZ3-CE1 3.44Å; W182-F200 AromaticContact CZ3-CZ 3.89Å; W182-F200 HydrophobicContact CZ3-CZ 3.89Å; D186-F200 HydrophobicContact CB-CZ 4.36Å; M188-F200 HydrophobicContact CE-CB 4.2Å; M188-F200 HydrophobicContact SD-CB 3.99Å; M188-F200 HydrophobicContact SD-CD1 3.9Å; M188-F200 HydrophobicContact SD-CD2 4.37Å; M188-F200 HydrophobicContact SD-CE1 4.48Å; M188-F200 HydrophobicContact SD-CG 3.83Å; D196-F200 VanDerWaalsContact O-CB 3.3Å; D196-F200 WeakPolarHBondContact O-CB 3.45Å; D196-F200 PolarHBondContact O-N 3.27Å; L197-F200 WeakPolarHBondContact O-CB 3.38Å; L197-F200 PolarHBondContact O-N 3.36Å; I198-F200 VanDerWaalsContact C-N 3.26Å; I198-F200 PolarHBondContact O-N 3.41Å; F200-V202 VanDerWaalsContact C-N 3.34Å; F200-V202 PolarHBondContact O-N 3.01Å; F200-A203 PolarHBondContact O-N 2.93Å; F200-R204 WeakPolarHBondContact O-CB 3.35Å; F200-R204 PolarHBondContact O-N 3.47Å; F200-Y207 AromaticContact CE1-CD2 3.64Å; F200-Y207 HydrophobicContact CE1-CD2 3.64Å; F200-Y207 HydrophobicContact CE1-CG 4.31Å; F200-Y207 AromaticContact CZ-CD2 3.63Å; F200-Y207 HydrophobicContact CZ-CD2 3.63Å; F200-Y207 HydrophobicContact CZ-CE2 4.08Å
201G97.3Very high97.1Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-63.4-37.1178.300000113.2L197 I198 R204 T205L197-G201 PolarHBondContact O-N 3.39Å; I198-G201 PolarHBondContact O-N 3.44Å; I198-G201 VanDerWaalsContact O-N 3.13Å; G201-R204 CarbonylContact O-C 3.58Å; G201-T205 WeakPolarHBondContact O-CA 3.43Å; G201-T205 PolarHBondContact O-N 2.99Å
202V98Very high97.2Very high39 Ų3933.5 Ų33.524%0.23618%0.184CC..Hα-helixtrans-68.1-44175.2173.40000111.3L158 K159 I198 N199 F200 R204L158-V202 HydrophobicContact CB-CG2 3.86Å; K159-V202 HydrophobicContact CD-CG1 4.46Å; K159-V202 HydrophobicContact CG-CG1 4.08Å; K159-V202 HydrophobicContact CG-CG2 3.85Å; I198-V202 HydrophobicContact CG2-CG2 4.29Å; I198-V202 WeakPolarHBondContact O-CG2 3.31Å; I198-V202 PolarHBondContact O-N 2.79Å; N199-V202 PolarHBondContact O-N 2.78Å; F200-V202 VanDerWaalsContact C-N 3.34Å; F200-V202 PolarHBondContact O-N 3.01Å; V202-R204 VanDerWaalsContact C-N 3.33Å
203A97.7Very high97.2Very high84 Ų8432.6 Ų32.669%0.69418%0.179SC*.Hα-helixtrans-69.5-31.8178.700000112.6N199 F200N199-A203 VanDerWaalsContact O-CB 3.29Å; N199-A203 WeakPolarHBondContact O-CB 3.21Å; N199-A203 PolarHBondContact O-N 3.46Å; F200-A203 PolarHBondContact O-N 2.93Å
204R95.8Very high97.2Very high103 Ų10331.4 Ų31.439%0.38917%0.171SC..THydrogen-bonded Turntrans-121.172-180-58.9-172.8-173.4-165.27.2109.6D186 F200 G201 V202 K206 Y207D186-R204 IonicContact OD1-CZ 3.32Å; D186-R204 IonicContact OD1-NH1 3.95Å; D186-R204 PolarHBondContact OD1-NH1 2.96Å; D186-R204 IonicContact OD1-NH2 3.69Å; D186-R204 IonicContact OD2-NH1 2.61Å; D186-R204 PolarHBondContact OD2-NH1 2.88Å; F200-R204 WeakPolarHBondContact O-CB 3.35Å; F200-R204 PolarHBondContact O-N 3.47Å; G201-R204 CarbonylContact O-C 3.58Å; V202-R204 VanDerWaalsContact C-N 3.33Å; R204-K206 PolarHBondContact O-N 3.43Å; R204-Y207 HydrophobicContact CB-CD2 4Å; R204-Y207 PolarHBondContact O-N 2.78Å
205T96.2Very high97.2Very high59 Ų5931.4 Ų31.436%0.36217%0.171SC..G310 helixtrans-48-33.1-173.858.70000114.1P151 A155 G201 Y207 A208P151-T205 VanDerWaalsContact CA-O 3.3Å; P151-T205 WeakPolarHBondContact CA-O 3.5Å; P151-T205 WeakPolarHBondContact CB-O 3.42Å; A155-T205 HydrophobicContact CB-CG2 3.72Å; G201-T205 WeakPolarHBondContact O-CA 3.43Å; G201-T205 PolarHBondContact O-N 2.99Å; T205-Y207 PolarHBondContact O-N 3.22Å; T205-A208 WeakPolarHBondContact O-CB 3.32Å; T205-A208 PolarHBondContact O-N 2.94Å
206K95.4Very high97.2Very high109 Ų10929.7 Ų29.747%0.47416%0.16SC..G310 helixtrans-54.1-19.8173.961.5167.1170167.10115.3R204R204-K206 PolarHBondContact O-N 3.43Å
207Y96Very high97.1Very high8 Ų827.3 Ų27.33%0.03115%0.145CC..G310 helixtrans-109.40.4178.8-56.5-37.3000113N132 W182 T183 D186 F200 R204 T205 T209 D210 C211N132-Y207 HydrophobicContact CB-CE1 4.26Å; N132-Y207 WeakPolarHBondContact ND2-CE1 3.49Å; W182-Y207 HydrophobicContact CB-CD1 4Å; W182-Y207 HydrophobicContact CB-CD2 4.15Å; W182-Y207 HydrophobicContact CB-CE1 3.79Å; W182-Y207 HydrophobicContact CB-CE2 3.9Å; W182-Y207 HydrophobicContact CB-CG 4.18Å; W182-Y207 AromaticContact CD1-CD1 3.57Å; W182-Y207 AromaticContact CD1-CG 3.65Å; W182-Y207 HydrophobicContact CD2-CD2 4.38Å; W182-Y207 HydrophobicContact CD2-CG 4.33Å; W182-Y207 AromaticContact CG-CD1 3.86Å; W182-Y207 HydrophobicContact CG-CD1 3.86Å; W182-Y207 AromaticContact CG-CD2 4Å; W182-Y207 HydrophobicContact CG-CD2 4Å; W182-Y207 HydrophobicContact CG-CE1 4.18Å; W182-Y207 HydrophobicContact CG-CE2 4.26Å; W182-Y207 AromaticContact CG-CG 3.76Å; W182-Y207 HydrophobicContact CG-CG 3.76Å; T183-Y207 WeakPolarHBondContact CG2-OH 3.41Å; D186-Y207 HydrophobicContact CB-CE2 4.4Å; D186-Y207 WeakPolarHBondContact OD2-CE2 3.45Å; D186-Y207 PolarHBondContact OD2-OH 2.93Å; F200-Y207 AromaticContact CE1-CD2 3.64Å; F200-Y207 HydrophobicContact CE1-CD2 3.64Å; F200-Y207 HydrophobicContact CE1-CG 4.31Å; F200-Y207 AromaticContact CZ-CD2 3.63Å; F200-Y207 HydrophobicContact CZ-CD2 3.63Å; F200-Y207 HydrophobicContact CZ-CE2 4.08Å; R204-Y207 HydrophobicContact CB-CD2 4Å; R204-Y207 PolarHBondContact O-N 2.78Å; T205-Y207 PolarHBondContact O-N 3.22Å; Y207-T209 VanDerWaalsContact C-N 3.35Å; Y207-T209 PolarHBondContact O-N 3.31Å; Y207-D210 PolarHBondContact O-N 2.8Å; Y207-C211 PolarHBondContact O-N 3.06Å; Y207-C211 PolarHBondContact O-SG 3.29Å
208A97.6Very high97Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-61.4-41.5-172.800000112.4A155 L158 T205 D210 C211 I212A155-A208 HydrophobicContact CB-CB 3.99Å; L158-A208 HydrophobicContact CD1-CB 3.82Å; T205-A208 WeakPolarHBondContact O-CB 3.32Å; T205-A208 PolarHBondContact O-N 2.94Å; A208-D210 PolarHBondContact O-N 3.41Å; A208-C211 WeakPolarHBondContact O-CB 3.33Å; A208-C211 PolarHBondContact O-N 3.24Å; A208-I212 WeakPolarHBondContact O-CG1 3.4Å; A208-I212 PolarHBondContact O-N 3.27Å; A208-I212 VanDerWaalsContact O-N 3.08Å
209T97.2Very high96.8Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-59.9-45.3178.6-47.20000111.8D149 F150 S154 Y207 I212 G213 A263 I264D149-T209 HydrophobicContact CB-CG2 4.42Å; D149-T209 VanDerWaalsContact CB-OG1 3.31Å; D149-T209 WeakPolarHBondContact CB-OG1 3.43Å; F150-T209 PolarHBondContact N-OG1 2.98Å; S154-T209 PolarHBondContact OG-OG1 2.79Å; S154-T209 VanDerWaalsContact OG-OG1 3.04Å; Y207-T209 VanDerWaalsContact C-N 3.35Å; Y207-T209 PolarHBondContact O-N 3.31Å; T209-I212 WeakPolarHBondContact O-CB 3.43Å; T209-I212 PolarHBondContact O-N 3.46Å; T209-G213 PolarHBondContact O-N 3.05Å; T209-G213 VanDerWaalsContact O-N 3.14Å; T209-A263 HydrophobicContact CG2-CB 3.83Å; T209-I264 HydrophobicContact CG2-CB 4.13Å
210D96.1Very high96.6Very high10 Ų1025.8 Ų25.85%0.05313%0.134CC..Hα-helixtrans-68.5-35.6177.7-175.232.8000111.5H135 W182 Y207 A208 I212 G213 I214H135-D210 HydrophobicContact CB-CB 4.43Å; H135-D210 IonicContact CD2-OD1 3.35Å; H135-D210 PolarHBondContact CD2-OD1 3.14Å; H135-D210 VanDerWaalsContact CD2-OD1 3.22Å; H135-D210 IonicContact CG-OD1 3.95Å; H135-D210 IonicContact NE2-OD1 3.96Å; W182-D210 VanDerWaalsContact CD1-OD2 3.31Å; W182-D210 PolarHBondContact NE1-OD2 3.41Å; Y207-D210 PolarHBondContact O-N 2.8Å; A208-D210 PolarHBondContact O-N 3.41Å; D210-I212 VanDerWaalsContact C-N 3.27Å; D210-I212 PolarHBondContact O-N 3.2Å; D210-G213 CarbonylContact O-C 3.57Å; D210-G213 WeakPolarHBondContact O-CA 3.45Å; D210-G213 PolarHBondContact O-N 3.29Å; D210-I214 WeakPolarHBondContact O-CD1 3.28Å; D210-I214 WeakPolarHBondContact O-CG1 3.43Å; D210-I214 PolarHBondContact O-N 2.85Å
211C97.5Very high96.4Very high0 Ų027 Ų270%014%0.142CC..Hα-helixtrans-57.4-39.6171.7-66.20000112L158 L197 Y207 A208 I214 L215L158-C211 HydrophobicContact CD1-CB 3.96Å; L158-C211 HydrophobicContact CD2-CB 4.35Å; L197-C211 HydrophobicContact CD1-CB 4.49Å; Y207-C211 PolarHBondContact O-N 3.06Å; Y207-C211 PolarHBondContact O-SG 3.29Å; A208-C211 WeakPolarHBondContact O-CB 3.33Å; A208-C211 PolarHBondContact O-N 3.24Å; C211-I214 PolarHBondContact O-N 2.92Å; C211-L215 WeakPolarHBondContact O-CG 3.38Å; C211-L215 PolarHBondContact O-N 3.07Å
212I98Very high96.2Very high3 Ų328.6 Ų28.62%0.01515%0.15CC..Hα-helixtrans-62.5-45.9172.6-59.8176.2000110.4F115 W157 L158 A208 T209 D210 I214 L215 L216 I264F115-I212 HydrophobicContact CE1-CG2 4.43Å; F115-I212 HydrophobicContact CZ-CG2 4.03Å; W157-I212 HydrophobicContact CB-CD1 4.08Å; W157-I212 HydrophobicContact CD2-CD1 3.76Å; W157-I212 HydrophobicContact CD2-CG1 4.2Å; W157-I212 HydrophobicContact CE3-CB 4.4Å; W157-I212 HydrophobicContact CE3-CD1 3.51Å; W157-I212 HydrophobicContact CE3-CG1 3.45Å; W157-I212 VanDerWaalsContact CE3-CG1 3.45Å; W157-I212 HydrophobicContact CE3-CG2 4.19Å; W157-I212 HydrophobicContact CG-CD1 4.01Å; W157-I212 HydrophobicContact CH2-CG2 4.1Å; W157-I212 HydrophobicContact CZ2-CG2 4.49Å; W157-I212 HydrophobicContact CZ3-CB 4.31Å; W157-I212 HydrophobicContact CZ3-CD1 4.26Å; W157-I212 HydrophobicContact CZ3-CG1 3.76Å; W157-I212 HydrophobicContact CZ3-CG2 3.94Å; L158-I212 HydrophobicContact CD2-CG1 3.9Å; L158-I212 HydrophobicContact CG-CG1 4.07Å; A208-I212 WeakPolarHBondContact O-CG1 3.4Å; A208-I212 PolarHBondContact O-N 3.27Å; A208-I212 VanDerWaalsContact O-N 3.08Å; T209-I212 WeakPolarHBondContact O-CB 3.43Å; T209-I212 PolarHBondContact O-N 3.46Å; D210-I212 VanDerWaalsContact C-N 3.27Å; D210-I212 PolarHBondContact O-N 3.2Å; I212-I214 VanDerWaalsContact C-N 3.29Å; I212-I214 PolarHBondContact O-N 2.79Å; I212-L215 PolarHBondContact O-N 3.17Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 3.42Å; I212-L216 PolarHBondContact O-N 2.87Å; I212-I264 HydrophobicContact CB-CD1 4.3Å; I212-I264 HydrophobicContact CD1-CD1 4.24Å; I212-I264 HydrophobicContact CG2-CD1 3.82Å
213G96.8Very high96Very high6 Ų626.8 Ų26.86%0.06214%0.139CC..Hα-helixtrans-57.2-40.1175.800000113.7T209 D210 R217 H267T209-G213 PolarHBondContact O-N 3.05Å; T209-G213 VanDerWaalsContact O-N 3.14Å; D210-G213 CarbonylContact O-C 3.57Å; D210-G213 WeakPolarHBondContact O-CA 3.45Å; D210-G213 PolarHBondContact O-N 3.29Å; G213-R217 PolarHBondContact O-N 2.8Å; G213-H267 WeakPolarHBondContact CA-ND1 3.47Å
214I97Very high95.6Very high3 Ų323.7 Ų23.72%0.01511%0.112CC..Hα-helixtrans-66.3-49.1174.9-66.9153.7000110.2V176 V180 W182 L197 D210 C211 I212 L216 R217 E218V176-I214 HydrophobicContact CG1-CG2 4.23Å; V180-I214 HydrophobicContact CB-CD1 4.37Å; V180-I214 HydrophobicContact CG1-CD1 3.46Å; V180-I214 VanDerWaalsContact CG1-CD1 3.46Å; V180-I214 HydrophobicContact CG1-CG1 4.42Å; V180-I214 HydrophobicContact CG2-CD1 4.06Å; V180-I214 HydrophobicContact CG2-CG1 4.37Å; V180-I214 HydrophobicContact CG2-CG2 4.33Å; W182-I214 HydrophobicContact CH2-CD1 4.29Å; W182-I214 HydrophobicContact CZ2-CD1 3.55Å; L197-I214 HydrophobicContact CD1-CD1 4.45Å; L197-I214 HydrophobicContact CD2-CB 4.15Å; L197-I214 HydrophobicContact CD2-CG2 3.56Å; D210-I214 WeakPolarHBondContact O-CD1 3.28Å; D210-I214 WeakPolarHBondContact O-CG1 3.43Å; D210-I214 PolarHBondContact O-N 2.85Å; C211-I214 PolarHBondContact O-N 2.92Å; I212-I214 VanDerWaalsContact C-N 3.29Å; I212-I214 PolarHBondContact O-N 2.79Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.96Å; I214-R217 WeakPolarHBondContact O-CA 3.4Å; I214-R217 WeakPolarHBondContact O-CB 3.42Å; I214-R217 PolarHBondContact O-N 2.86Å; I214-E218 HydrophobicContact CG2-CG 4.08Å; I214-E218 VanDerWaalsContact O-CG 3.32Å; I214-E218 WeakPolarHBondContact O-CG 3.32Å; I214-E218 PolarHBondContact O-N 3.12Å
215L98Very high95.2Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-58.1-42177.8-70.4168.7000111.9F113 W157 L158 F161 W194 L197 I198 C211 I212 R217 E218 M219F113-L215 HydrophobicContact CE1-CB 4.08Å; W157-L215 HydrophobicContact CZ3-CD1 4.31Å; L158-L215 HydrophobicContact CD2-CD1 3.58Å; F161-L215 HydrophobicContact CD1-CD1 4.23Å; F161-L215 HydrophobicContact CE1-CD1 4.14Å; W194-L215 HydrophobicContact CB-CD2 4.04Å; W194-L215 HydrophobicContact CD2-CD2 3.65Å; W194-L215 HydrophobicContact CE3-CD2 3.66Å; W194-L215 HydrophobicContact CG-CD2 3.83Å; W194-L215 HydrophobicContact CZ3-CD2 4.38Å; L197-L215 HydrophobicContact CD2-CD2 3.94Å; L197-L215 HydrophobicContact CD2-CG 4.05Å; I198-L215 HydrophobicContact CD1-CD1 4.36Å; I198-L215 HydrophobicContact CG1-CD1 3.86Å; I198-L215 HydrophobicContact CG1-CD2 4.45Å; C211-L215 WeakPolarHBondContact O-CG 3.38Å; C211-L215 PolarHBondContact O-N 3.07Å; I212-L215 PolarHBondContact O-N 3.17Å; L215-R217 VanDerWaalsContact C-N 3.35Å; L215-R217 PolarHBondContact O-N 3.01Å; L215-E218 PolarHBondContact O-N 2.81Å; L215-M219 VanDerWaalsContact O-CB 3.3Å; L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 PolarHBondContact O-N 3.34Å
216L97.5Very high94.5Very high4 Ų424.3 Ų24.32%0.02113%0.126CC..Hα-helixtrans-63.6-38.5174.9-72.6170.5000112.1F113 F115 I212 I214 R220 L233 H267 L268 A271F113-L216 HydrophobicContact CD1-CD2 3.63Å; F113-L216 HydrophobicContact CD1-CG 4.4Å; F113-L216 HydrophobicContact CE1-CD2 4.15Å; F113-L216 HydrophobicContact CG-CD2 4.24Å; F115-L216 HydrophobicContact CE2-CD2 4.42Å; F115-L216 HydrophobicContact CZ-CD1 4.3Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 HydrophobicContact CG2-CG 4.41Å; I212-L216 WeakPolarHBondContact O-CG 3.42Å; I212-L216 PolarHBondContact O-N 2.87Å; I214-L216 VanDerWaalsContact C-N 3.3Å; I214-L216 PolarHBondContact O-N 2.96Å; L216-R220 WeakPolarHBondContact O-CG 3.46Å; L216-L233 HydrophobicContact CD2-CD1 4.26Å; L216-H267 HydrophobicContact CD1-CB 4.05Å; L216-L268 HydrophobicContact CD1-CD2 4.26Å; L216-A271 HydrophobicContact CB-CB 4.5Å; L216-A271 HydrophobicContact CD1-CB 4.45Å; L216-A271 HydrophobicContact CD2-CB 4.1Å
217R94.9Very high93.9Very high33 Ų3323 Ų2313%0.12514%0.143CC..Hα-helixtrans-64.5-49.4173.3179-167.472.6-148.59.7111.4R178 G213 I214 L215 M219 R220R178-R217 VanDerWaalsContact NE-NH1 3.19Å; G213-R217 PolarHBondContact O-N 2.8Å; I214-R217 WeakPolarHBondContact O-CA 3.4Å; I214-R217 WeakPolarHBondContact O-CB 3.42Å; I214-R217 PolarHBondContact O-N 2.86Å; L215-R217 VanDerWaalsContact C-N 3.35Å; L215-R217 PolarHBondContact O-N 3.01Å; R217-M219 VanDerWaalsContact C-N 3.31Å; R217-M219 PolarHBondContact O-N 3.5Å; R217-R220 WeakPolarHBondContact O-CB 3.45Å; R217-R220 PolarHBondContact O-N 2.92Å
218E96Very high93.5Very high5 Ų523 Ų232%0.02315%0.146CC..Hα-helixtrans-65.7-35.2-178.1-63.6-54.713500111.5V176 S177 W194 I214 L215 R220 L221 L222V176-E218 HydrophobicContact CG1-CG 4.2Å; S177-E218 VanDerWaalsContact CB-OE2 3.27Å; S177-E218 WeakPolarHBondContact CB-OE2 3.35Å; S177-E218 PolarHBondContact N-OE2 2.76Å; S177-E218 PolarHBondContact OG-OE2 3.11Å; W194-E218 HydrophobicContact CH2-CB 4.37Å; W194-E218 HydrophobicContact CZ2-CB 3.38Å; I214-E218 HydrophobicContact CG2-CG 4.08Å; I214-E218 VanDerWaalsContact O-CG 3.32Å; I214-E218 WeakPolarHBondContact O-CG 3.32Å; I214-E218 PolarHBondContact O-N 3.12Å; L215-E218 PolarHBondContact O-N 2.81Å; E218-R220 VanDerWaalsContact C-N 3.28Å; E218-R220 PolarHBondContact O-N 2.98Å; E218-L221 PolarHBondContact O-N 3.27Å; E218-L222 WeakPolarHBondContact O-CB 3.34Å; E218-L222 PolarHBondContact O-N 3.18Å
219M95.4Very high93.3Very high0 Ų023.8 Ų23.80%015%0.151CC..Hα-helixtrans-53.1-45.4172.1176.6-158.367.200111.6F113 W194 L215 R217 L221 L222 S223 C231 W276F113-M219 HydrophobicContact CD1-SD 4.46Å; F113-M219 HydrophobicContact CD2-CG 4.09Å; F113-M219 HydrophobicContact CD2-SD 3.47Å; F113-M219 WeakPolarHBondContact CD2-SD 3.43Å; F113-M219 HydrophobicContact CE1-CB 4.34Å; F113-M219 HydrophobicContact CE1-SD 4.47Å; F113-M219 HydrophobicContact CE2-CB 3.82Å; F113-M219 HydrophobicContact CE2-CG 3.45Å; F113-M219 VanDerWaalsContact CE2-CG 3.45Å; F113-M219 HydrophobicContact CE2-SD 3.48Å; F113-M219 WeakPolarHBondContact CE2-SD 3.44Å; F113-M219 HydrophobicContact CG-SD 4Å; F113-M219 HydrophobicContact CZ-CB 3.61Å; F113-M219 HydrophobicContact CZ-CG 3.83Å; F113-M219 HydrophobicContact CZ-SD 4.03Å; W194-M219 HydrophobicContact CH2-CB 4.31Å; L215-M219 VanDerWaalsContact O-CB 3.3Å; L215-M219 WeakPolarHBondContact O-CB 3.45Å; L215-M219 PolarHBondContact O-N 3.34Å; R217-M219 VanDerWaalsContact C-N 3.31Å; R217-M219 PolarHBondContact O-N 3.5Å; M219-L221 VanDerWaalsContact C-N 3.28Å; M219-L221 PolarHBondContact O-N 3.35Å; M219-L222 PolarHBondContact O-N 3.2Å; M219-S223 WeakPolarHBondContact O-CB 3.43Å; M219-S223 PolarHBondContact O-N 3.26Å; M219-S223 PolarHBondContact O-OG 3.47Å; M219-C231 HydrophobicContact CG-CB 4.1Å; M219-C231 HydrophobicContact SD-CB 4.17Å; M219-W276 HydrophobicContact CE-CD2 4.3Å; M219-W276 HydrophobicContact CE-CE3 4.31Å; M219-W276 HydrophobicContact CE-CH2 3.38Å; M219-W276 HydrophobicContact CE-CZ2 3.51Å; M219-W276 HydrophobicContact CE-CZ3 3.82Å
220R93.8Very high93.1Very high41 Ų4124.7 Ų24.716%0.15516%0.157CC..Hα-helixtrans-60.7-40.3-178.7-62.4175.546.2-157.2-20.3111.8L216 R217 E218 S224 D275 W276L216-R220 WeakPolarHBondContact O-CG 3.46Å; R217-R220 WeakPolarHBondContact O-CB 3.45Å; R217-R220 PolarHBondContact O-N 2.92Å; E218-R220 VanDerWaalsContact C-N 3.28Å; E218-R220 PolarHBondContact O-N 2.98Å; R220-S224 WeakPolarHBondContact O-CB 3.46Å; R220-S224 PolarHBondContact O-N 3.35Å; R220-S224 PolarHBondContact O-OG 3.3Å; R220-D275 VanDerWaalsContact CZ-CG 3.48Å; R220-D275 IonicContact CZ-OD1 2.69Å; R220-D275 IonicContact CZ-OD2 2.65Å; R220-D275 IonicContact NE-OD1 3.2Å; R220-D275 PolarHBondContact NE-OD1 3.49Å; R220-D275 IonicContact NH1-OD1 2.8Å; R220-D275 IonicContact NH1-OD2 3.5Å; R220-D275 IonicContact NH2-OD1 3.45Å; R220-D275 PolarHBondContact NH2-OD1 2.95Å; R220-D275 IonicContact NH2-OD2 2.8Å; R220-D275 PolarHBondContact NH2-OD2 2.86Å; R220-W276 HydrophobicContact CB-CB 4.38Å; R220-W276 HydrophobicContact CB-CE3 4.23Å; R220-W276 HydrophobicContact CG-CD2 4.19Å; R220-W276 HydrophobicContact CG-CE3 3.42Å; R220-W276 VanDerWaalsContact CG-CE3 3.42Å; R220-W276 HydrophobicContact CG-CZ3 3.59Å
221L92.6Very high93.2Very high61 Ų6124.2 Ų24.232%0.31915%0.154SC..Hα-helixtrans-70.2-50.1176.4-62.3175.8000110.9L76 S177 E218 M219 S223 S224 N225L76-L221 HydrophobicContact CD1-CD2 4.46Å; S177-L221 VanDerWaalsContact OG-CD1 3.29Å; S177-L221 WeakPolarHBondContact OG-CD1 3.12Å; E218-L221 PolarHBondContact O-N 3.27Å; M219-L221 VanDerWaalsContact C-N 3.28Å; M219-L221 PolarHBondContact O-N 3.35Å; L221-S223 PolarHBondContact O-N 3.15Å; L221-S224 PolarHBondContact O-N 3.04Å; L221-S224 VanDerWaalsContact O-N 3.16Å; L221-N225 PolarHBondContact O-ND2 2.76Å
222L93.3Very high93.2Very high33 Ų3324.3 Ų24.317%0.17316%0.155CC..Hα-helixtrans-58.6-46.7-177.7179.761.7000112I111 I172 P174 W194 E218 M219 S224 N225 G228 P229I111-L222 HydrophobicContact CD1-CD2 3.61Å; I172-L222 HydrophobicContact CD1-CD2 4.11Å; P174-L222 HydrophobicContact CB-CD2 3.86Å; W194-L222 HydrophobicContact CH2-CD2 3.62Å; W194-L222 HydrophobicContact CZ2-CB 4.34Å; W194-L222 HydrophobicContact CZ2-CD2 3.82Å; W194-L222 HydrophobicContact CZ3-CD2 4.32Å; E218-L222 WeakPolarHBondContact O-CB 3.34Å; E218-L222 PolarHBondContact O-N 3.18Å; M219-L222 PolarHBondContact O-N 3.2Å; L222-S224 PolarHBondContact O-N 3.46Å; L222-N225 PolarHBondContact O-N 3.43Å; L222-G228 VanDerWaalsContact O-CA 3.24Å; L222-G228 WeakPolarHBondContact O-CA 3.41Å; L222-P229 HydrophobicContact CD2-CG 4.19Å; L222-P229 HydrophobicContact CG-CG 4.28Å
223S92.5Very high93.2Very high0 Ų024.2 Ų24.20%015%0.154CC..THydrogen-bonded Turntrans-74.9-8.9-177.5-38.20000113.4M219 L221 C231 H278M219-S223 WeakPolarHBondContact O-CB 3.43Å; M219-S223 PolarHBondContact O-N 3.26Å; M219-S223 PolarHBondContact O-OG 3.47Å; L221-S223 PolarHBondContact O-N 3.15Å; S223-C231 PolarHBondContact OG-SG 2.95Å; S223-H278 WeakPolarHBondContact CB-O 3.44Å; S223-H278 WeakPolarHBondContact O-CB 3.35Å; S223-H278 PolarHBondContact O-N 3.44Å
224S89.6Confident93.3Very high19 Ų1923.9 Ų23.913%0.13315%0.151CC..THydrogen-bonded Turntrans-96.8-9.3178.5-60.70000113F64 L76 R220 L221 L222 W276 R277F64-S224 WeakPolarHBondContact CZ-O 3.34Å; L76-S224 WeakPolarHBondContact CD2-OG 3.38Å; R220-S224 WeakPolarHBondContact O-CB 3.46Å; R220-S224 PolarHBondContact O-N 3.35Å; R220-S224 PolarHBondContact O-OG 3.3Å; L221-S224 PolarHBondContact O-N 3.04Å; L221-S224 VanDerWaalsContact O-N 3.16Å; L222-S224 PolarHBondContact O-N 3.46Å; S224-W276 WeakPolarHBondContact OG-CA 3.28Å; S224-W276 WeakPolarHBondContact OG-CB 3.39Å; S224-R277 PolarHBondContact OG-N 3.2Å
225N86.8Confident93.3Very high80 Ų8023.8 Ų23.843%0.42815%0.151SC..SBendtrans-74.4145.8173.9-68.2-36.2000111L221 L222 G227 G228L221-N225 PolarHBondContact O-ND2 2.76Å; L222-N225 PolarHBondContact O-N 3.43Å; N225-G227 PolarHBondContact O-N 2.79Å; N225-G227 VanDerWaalsContact O-N 3.16Å; N225-G228 WeakPolarHBondContact O-CA 3.41Å; N225-G228 PolarHBondContact O-N 3.24Å
226P82.3Confident93.3Very high95 Ų9524.1 Ų24.162%0.61715%0.153SC*.THydrogen-bonded Turntrans-55.9-32.4179.1-24.330.7000115.3F64F64-P226 HydrophobicContact CD1-CB 3.58Å; F64-P226 HydrophobicContact CD1-CG 3.67Å; F64-P226 HydrophobicContact CE1-CB 3.76Å; F64-P226 HydrophobicContact CE1-CG 3.59Å; F64-P226 HydrophobicContact CG-CB 4.36Å
227G83.4Confident93.3Very high81 Ų8124 Ų2484%0.83515%0.152SC*.THydrogen-bonded Turntrans-97.26.5173.900000114.2N225N225-G227 PolarHBondContact O-N 2.79Å; N225-G227 VanDerWaalsContact O-N 3.16Å
228G87.9Confident93.4Very high8 Ų822.4 Ų22.48%0.08215%0.146CC..PPolyproline II helixtrans-66.3137.4-178.900000111.6L222 N225 H278L222-G228 VanDerWaalsContact O-CA 3.24Å; L222-G228 WeakPolarHBondContact O-CA 3.41Å; N225-G228 WeakPolarHBondContact O-CA 3.41Å; N225-G228 PolarHBondContact O-N 3.24Å; G228-H278 PolarHBondContact O-ND1 3.19Å
229P92.7Very high93.5Very high17 Ų1722.2 Ų22.211%0.1115%0.145CC..PPolyproline II helixtrans-63.4149.9174.129-35.1000110.6I111 L168 I172 L222I111-P229 HydrophobicContact CD1-CB 4.3Å; I111-P229 HydrophobicContact CD1-CG 3.43Å; I111-P229 VanDerWaalsContact CD1-CG 3.43Å; I111-P229 HydrophobicContact CG1-CB 4.18Å; I111-P229 HydrophobicContact CG1-CG 3.86Å; L168-P229 HydrophobicContact CD2-CB 4.48Å; I172-P229 HydrophobicContact CD1-CG 3.88Å; L222-P229 HydrophobicContact CD2-CG 4.19Å; L222-P229 HydrophobicContact CG-CG 4.28Å
230P94Very high93.6Very high20 Ų2022.3 Ų22.313%0.1315%0.145CC..PPolyproline II helixtrans-68.9145.3171.132-35.3000110.5W110 I111 H278W110-P230 CarbonylContact C-O 3.54Å; W110-P230 WeakPolarHBondContact CA-O 3.49Å; W110-P230 HydrophobicContact CB-CG 4.29Å; W110-P230 WeakPolarHBondContact CB-O 3.45Å; W110-P230 HydrophobicContact CD2-CB 3.57Å; W110-P230 HydrophobicContact CD2-CG 3.66Å; W110-P230 HydrophobicContact CE3-CB 3.79Å; W110-P230 HydrophobicContact CE3-CG 4.38Å; W110-P230 HydrophobicContact CG-CB 4.02Å; W110-P230 HydrophobicContact CG-CG 3.59Å; W110-P230 HydrophobicContact CH2-CB 4.24Å; W110-P230 HydrophobicContact CZ2-CB 4.08Å; W110-P230 HydrophobicContact CZ2-CG 4.44Å; W110-P230 HydrophobicContact CZ3-CB 4.11Å; I111-P230 PolarHBondContact N-O 2.82Å; P230-H278 HydrophobicContact CB-CB 4.5Å
231C96.6Very high93.7Very high0 Ų020.3 Ų20.30%014%0.138CC..EExtended strand (participates in β ladder)trans-117.5138.9-178.8-73.70000112.2I111 M219 S223 H278 G279 V280I111-C231 CarbonylContact O-C 3.55Å; I111-C231 VanDerWaalsContact O-CA 3.29Å; I111-C231 WeakPolarHBondContact O-CA 3.48Å; M219-C231 HydrophobicContact CG-CB 4.1Å; M219-C231 HydrophobicContact SD-CB 4.17Å; S223-C231 PolarHBondContact OG-SG 2.95Å; C231-H278 PolarHBondContact N-O 3.02Å; C231-G279 CarbonylContact O-C 3.59Å; C231-G279 WeakPolarHBondContact O-CA 3.44Å; C231-V280 PolarHBondContact O-N 3.15Å
232L98.1Very high93.9Very high1 Ų119.5 Ų19.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-109.7109.7168.817465000107.8I101 A105 W110 I111 I112 F113 V234 V280 V282I101-L232 HydrophobicContact CG2-CD2 4.36Å; A105-L232 HydrophobicContact CB-CB 4.12Å; A105-L232 HydrophobicContact CB-CD2 3.49Å; A105-L232 VanDerWaalsContact CB-CD2 3.49Å; A105-L232 HydrophobicContact CB-CG 4.4Å; W110-L232 HydrophobicContact CE3-CB 4.16Å; I111-L232 PolarHBondContact O-N 3.42Å; I112-L232 WeakPolarHBondContact CA-O 3.25Å; I112-L232 HydrophobicContact CG1-CB 4.42Å; I112-L232 HydrophobicContact CG1-CD2 4.5Å; I112-L232 HydrophobicContact CG2-CD2 4.45Å; F113-L232 PolarHBondContact N-O 3.49Å; L232-V234 HydrophobicContact CD2-CB 4.41Å; L232-V234 HydrophobicContact CG-CB 4.2Å; L232-V280 HydrophobicContact CD1-CG2 3.65Å; L232-V282 HydrophobicContact CD1-CB 4.03Å; L232-V282 HydrophobicContact CD1-CG2 3.69Å
233L98.4Very high93.9Very high1 Ų118.4 Ų18.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-91114.2164.1175.561.2000107.6F113 F115 L216 I235 A271 L272 W276 V280 I281 V282F113-L233 HydrophobicContact CB-CD1 3.74Å; F115-L233 HydrophobicContact CD2-CD1 3.95Å; F115-L233 HydrophobicContact CE2-CD1 3.85Å; L216-L233 HydrophobicContact CD2-CD1 4.26Å; L233-I235 HydrophobicContact CD1-CD1 4.3Å; L233-I235 HydrophobicContact CD1-CG1 4.17Å; L233-I235 HydrophobicContact CD2-CD1 4.31Å; L233-I235 HydrophobicContact CG-CD1 4.22Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; L233-A271 HydrophobicContact CD2-CB 3.76Å; L233-L272 HydrophobicContact CD2-CD2 4.48Å; L233-W276 HydrophobicContact CD2-CH2 4.09Å; L233-W276 HydrophobicContact CD2-CZ2 4.41Å; L233-V280 PolarHBondContact N-O 3.13Å; L233-V280 VanDerWaalsContact N-O 3.16Å; L233-I281 HydrophobicContact CB-CG1 4.22Å; L233-I281 HydrophobicContact CD2-CG1 4.22Å; L233-I281 WeakPolarHBondContact O-CA 3.39Å; L233-V282 PolarHBondContact O-N 3.5Å
234V98.4Very high93.7Very high0 Ų025.4 Ų25.40%015%0.152CC..EExtended strand (participates in β ladder)trans-117.8125.1-17862.20000110.7F23 L98 I112 F113 P114 F115 L232 V282F23-V234 HydrophobicContact CE1-CG1 4.35Å; F23-V234 HydrophobicContact CE1-CG2 3.85Å; F23-V234 HydrophobicContact CZ-CB 4.46Å; F23-V234 HydrophobicContact CZ-CG1 3.72Å; F23-V234 HydrophobicContact CZ-CG2 3.86Å; L98-V234 HydrophobicContact CB-CG2 4.46Å; L98-V234 HydrophobicContact CD2-CG2 3.89Å; I112-V234 HydrophobicContact CG2-CG1 4.17Å; F113-V234 PolarHBondContact O-N 2.8Å; P114-V234 HydrophobicContact CB-CG1 4.18Å; F115-V234 PolarHBondContact N-O 2.87Å; L232-V234 HydrophobicContact CD2-CB 4.41Å; L232-V234 HydrophobicContact CG-CB 4.2Å; V234-V282 CarbonylContact C-O 3.55Å; V234-V282 WeakPolarHBondContact CA-O 3.3Å
235I98.2Very high93.6Very high0 Ų025 Ų250%015%0.151CC..EExtended strand (participates in β ladder)trans-133.3111.4-175.1-50.7-175.7000110.5F115 C118 L233 V238 L268 L272 V282 T283 S284F115-I235 HydrophobicContact CB-CB 4.37Å; F115-I235 HydrophobicContact CB-CG1 4.21Å; F115-I235 HydrophobicContact CB-CG2 4.16Å; F115-I235 HydrophobicContact CD2-CG1 4.16Å; F115-I235 CarbonylContact O-C 3.54Å; F115-I235 WeakPolarHBondContact O-CA 3.3Å; C118-I235 HydrophobicContact CB-CG2 4.48Å; C118-I235 WeakPolarHBondContact SG-CG2 3.37Å; L233-I235 HydrophobicContact CD1-CD1 4.3Å; L233-I235 HydrophobicContact CD1-CG1 4.17Å; L233-I235 HydrophobicContact CD2-CD1 4.31Å; L233-I235 HydrophobicContact CG-CD1 4.22Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; I235-V238 HydrophobicContact CG2-CB 4.08Å; I235-V238 HydrophobicContact CG2-CG2 4.18Å; I235-L268 HydrophobicContact CD1-CD2 3.95Å; I235-L272 HydrophobicContact CD1-CD1 4.26Å; I235-L272 HydrophobicContact CD1-CD2 3.89Å; I235-L272 HydrophobicContact CD1-CG 4.14Å; I235-V282 PolarHBondContact N-O 2.83Å; I235-T283 HydrophobicContact CB-CG2 4.07Å; I235-T283 HydrophobicContact CG1-CG2 4.44Å; I235-T283 CarbonylContact O-C 3.59Å; I235-T283 WeakPolarHBondContact O-CA 3.29Å; I235-S284 PolarHBondContact O-N 3.44Å
236D97.7Very high93.9Very high8 Ų821.2 Ų21.24%0.04313%0.131CC..THydrogen-bonded Turntrans-85.9121.3172.6-159-14.6000110.6F23 S95 L98 F115 T116 C118 S284F23-D236 HydrophobicContact CD1-CB 4.48Å; S95-D236 WeakPolarHBondContact CB-OD2 3.4Å; S95-D236 PolarHBondContact OG-OD2 3.44Å; L98-D236 HydrophobicContact CD1-CB 3.59Å; L98-D236 VanDerWaalsContact CD1-CG 3.43Å; F115-D236 PolarHBondContact O-N 2.97Å; T116-D236 VanDerWaalsContact O-CB 3.26Å; T116-D236 WeakPolarHBondContact O-CB 3.48Å; C118-D236 VanDerWaalsContact CB-O 3.3Å; C118-D236 WeakPolarHBondContact CB-O 3.43Å; C118-D236 PolarHBondContact N-O 3.24Å; D236-S284 VanDerWaalsContact CA-OG 3.23Å; D236-S284 WeakPolarHBondContact CA-OG 3.39Å; D236-S284 PolarHBondContact OD1-OG 3.08Å
237G97.1Very high94.4Very high0 Ų021.1 Ų21.10%012%0.124CC..THydrogen-bonded Turntrans78.945.1179.900000113.8N239 S240 S284G237-N239 PolarHBondContact O-N 3.2Å; G237-N239 VanDerWaalsContact O-N 3.08Å; G237-S240 PolarHBondContact O-N 3.17Å; G237-S240 PolarHBondContact O-OG 3.22Å; G237-S284 CarbonylContact C-O 3.2Å; G237-S284 WeakPolarHBondContact CA-O 3.11Å; G237-S284 PolarHBondContact N-O 2.9Å; G237-S284 VanDerWaalsContact N-O 3.17Å; G237-S284 PolarHBondContact N-OG 3.44Å
238V97.8Very high94.9Very high0 Ų017.3 Ų17.30%09%0.085CC..G310 helixtrans-58.9-23-177.676.30000113.5I235 S240 L241 W242 L272 T283 S284 T285 L304I235-V238 HydrophobicContact CG2-CB 4.08Å; I235-V238 HydrophobicContact CG2-CG2 4.18Å; V238-S240 PolarHBondContact O-N 2.83Å; V238-L241 HydrophobicContact CG2-CD1 3.85Å; V238-L241 HydrophobicContact CG2-CG 4.43Å; V238-L241 WeakPolarHBondContact O-CB 3.3Å; V238-L241 VanDerWaalsContact O-CG 3.29Å; V238-L241 WeakPolarHBondContact O-CG 3.44Å; V238-L241 PolarHBondContact O-N 2.92Å; V238-L241 VanDerWaalsContact O-N 3.15Å; V238-W242 HydrophobicContact CG2-CZ3 4.1Å; V238-W242 WeakPolarHBondContact O-CZ3 3.34Å; V238-L272 HydrophobicContact CG2-CD1 3.63Å; V238-L272 HydrophobicContact CG2-CD2 4.48Å; V238-T283 HydrophobicContact CB-CG2 4.19Å; V238-T283 HydrophobicContact CG1-CG2 4.45Å; V238-T283 HydrophobicContact CG2-CG2 4.07Å; V238-S284 WeakPolarHBondContact CG1-O 3.35Å; V238-S284 PolarHBondContact N-O 3.44Å; V238-T285 HydrophobicContact CG1-CG2 4.5Å; V238-L304 HydrophobicContact CG1-CD2 3.97Å
239N97.3Very high95Very high2 Ų223.8 Ų23.81%0.01111%0.111CC..G310 helixtrans-62.8-19.317556.9-66.6000113.6G237 L241 W242 C243 T285 N286 A289 L303 L304G237-N239 PolarHBondContact O-N 3.2Å; G237-N239 VanDerWaalsContact O-N 3.08Å; N239-L241 PolarHBondContact O-N 2.94Å; N239-W242 PolarHBondContact O-N 2.94Å; N239-W242 VanDerWaalsContact O-N 3.16Å; N239-C243 PolarHBondContact O-N 3.37Å; N239-T285 WeakPolarHBondContact OD1-CA 3.39Å; N239-N286 PolarHBondContact ND2-O 3.15Å; N239-N286 PolarHBondContact OD1-N 3.34Å; N239-N286 PolarHBondContact OD1-O 2.89Å; N239-A289 VanDerWaalsContact ND2-C 3.26Å; N239-A289 PolarHBondContact ND2-O 3.44Å; N239-L303 HydrophobicContact CB-CB 4.14Å; N239-L303 WeakPolarHBondContact CB-O 3.23Å; N239-L304 HydrophobicContact CB-CD2 4.07Å
240S96.7Very high94.9Very high1 Ų123 Ų231%0.00711%0.106CC..G310 helixtrans-62.3-23.917470.30000113C118 G237 V238 W242 C243 T259 A289C118-S240 VanDerWaalsContact CB-OG 3.24Å; C118-S240 WeakPolarHBondContact CB-OG 3.27Å; C118-S240 VanDerWaalsContact O-CB 3.3Å; C118-S240 WeakPolarHBondContact O-CB 3.4Å; C118-S240 PolarHBondContact O-OG 3.16Å; G237-S240 PolarHBondContact O-N 3.17Å; G237-S240 PolarHBondContact O-OG 3.22Å; V238-S240 PolarHBondContact O-N 2.83Å; S240-W242 PolarHBondContact O-N 3.14Å; S240-C243 WeakPolarHBondContact O-CB 3.5Å; S240-C243 PolarHBondContact O-N 3.15Å; S240-T259 VanDerWaalsContact O-CG2 3.26Å; S240-T259 WeakPolarHBondContact O-CG2 3.41Å; S240-A289 WeakPolarHBondContact CA-O 3.37Å
241L96.9Very high94.5Very high0 Ų029.4 Ų29.40%013%0.132CC..G310 helixtrans-66.8-18.3178.9-55-175000113.4F121 V238 N239 V265 L268 K269 L272F121-L241 HydrophobicContact CD2-CD2 4.47Å; F121-L241 HydrophobicContact CE2-CD2 4.39Å; V238-L241 HydrophobicContact CG2-CD1 3.85Å; V238-L241 HydrophobicContact CG2-CG 4.43Å; V238-L241 WeakPolarHBondContact O-CB 3.3Å; V238-L241 VanDerWaalsContact O-CG 3.29Å; V238-L241 WeakPolarHBondContact O-CG 3.44Å; V238-L241 PolarHBondContact O-N 2.92Å; V238-L241 VanDerWaalsContact O-N 3.15Å; N239-L241 PolarHBondContact O-N 2.94Å; L241-V265 HydrophobicContact CB-CG1 4.12Å; L241-V265 HydrophobicContact CD2-CB 4.27Å; L241-V265 HydrophobicContact CD2-CG1 4.09Å; L241-V265 HydrophobicContact CD2-CG2 3.88Å; L241-L268 HydrophobicContact CD1-CB 3.98Å; L241-L268 HydrophobicContact CD2-CB 4.25Å; L241-L268 HydrophobicContact CD2-CD1 3.81Å; L241-K269 WeakPolarHBondContact O-CE 3.35Å; L241-K269 PolarHBondContact O-NZ 2.69Å; L241-L272 HydrophobicContact CD1-CD1 3.42Å; L241-L272 VanDerWaalsContact CD1-CD1 3.42Å
242W95.5Very high94Very high44 Ų4435.1 Ų35.117%0.16717%0.166CC..G310 helixtrans-122.114175.6-59.8-88.1000112.2V238 N239 S240 R244 K269 L272 L304 G308 Y311 M312V238-W242 HydrophobicContact CG2-CZ3 4.1Å; V238-W242 WeakPolarHBondContact O-CZ3 3.34Å; N239-W242 PolarHBondContact O-N 2.94Å; N239-W242 VanDerWaalsContact O-N 3.16Å; S240-W242 PolarHBondContact O-N 3.14Å; W242-R244 PolarHBondContact O-N 3.49Å; W242-K269 HydrophobicContact CZ2-CG 4.31Å; W242-L272 HydrophobicContact CH2-CD1 4.06Å; W242-L304 HydrophobicContact CE3-CD2 4.03Å; W242-L304 HydrophobicContact CZ3-CD2 3.89Å; W242-G308 VanDerWaalsContact CE2-CA 3.45Å; W242-Y311 HydrophobicContact CH2-CD1 4.2Å; W242-Y311 AromaticContact CZ2-CD1 3.67Å; W242-Y311 HydrophobicContact CZ2-CD1 3.67Å; W242-Y311 HydrophobicContact CZ2-CD2 4.47Å; W242-Y311 HydrophobicContact CZ2-CE1 4.49Å; W242-Y311 AromaticContact CZ2-CG 3.67Å; W242-Y311 HydrophobicContact CZ2-CG 3.67Å; W242-M312 HydrophobicContact CH2-CG 3.79Å; W242-M312 HydrophobicContact CH2-SD 3.94Å; W242-M312 HydrophobicContact CZ3-CG 4.19Å
243C94.2Very high93.5Very high9 Ų939.7 Ų39.76%0.06119%0.19CC..  trans-61.9137174.5-177.30000109.7L122 N239 S240 G245 T259 W291L122-C243 HydrophobicContact CD1-CB 4.11Å; L122-C243 HydrophobicContact CD2-CB 3.89Å; N239-C243 PolarHBondContact O-N 3.37Å; S240-C243 WeakPolarHBondContact O-CB 3.5Å; S240-C243 PolarHBondContact O-N 3.15Å; C243-G245 PolarHBondContact O-N 3.15Å; C243-G245 VanDerWaalsContact O-N 3.12Å; C243-G245 PolarHBondContact SG-O 2.99Å; C243-T259 HydrophobicContact CB-CG2 4.05Å; C243-T259 VanDerWaalsContact O-CG2 3.28Å; C243-T259 WeakPolarHBondContact O-CG2 3.3Å; C243-T259 PolarHBondContact O-OG1 3.04Å; C243-W291 PolarHBondContact SG-N 3.07Å
244R88.9Confident93Very high148 Ų14844.6 Ų44.656%0.55823%0.225SC*.SBendtrans-62.9-18.1-17566.6-176.4-174.4127-1.6114.7W242 W291 T293 D294W242-R244 PolarHBondContact O-N 3.49Å; R244-W291 HydrophobicContact CG-CB 3.98Å; R244-W291 HydrophobicContact CG-CG 4.15Å; R244-T293 PolarHBondContact NH2-OG1 3.12Å; R244-D294 VanDerWaalsContact CD-OD2 3.22Å; R244-D294 WeakPolarHBondContact CD-OD2 3.39Å; R244-D294 IonicContact NE-OD1 2.79Å; R244-D294 IonicContact NE-OD2 3.64Å; R244-D294 PolarHBondContact NE-OD2 2.6Å
245G86.7Confident92.6Very high11 Ų1147.9 Ų47.911%0.11325%0.245CC..  trans-165.4168.5179.700000113.2C243C243-G245 PolarHBondContact O-N 3.15Å; C243-G245 VanDerWaalsContact O-N 3.12Å; C243-G245 PolarHBondContact SG-O 2.99Å
246T93.6Very high92.2Very high0 Ų051.8 Ų51.80%027%0.266CS..  trans-124.9166.9171.977.80000109.8L122 L248 V257 T259 L262L122-T246 HydrophobicContact CD2-CG2 3.87Å; T246-L248 VanDerWaalsContact C-N 3.25Å; T246-L248 HydrophobicContact CG2-CD1 4.36Å; T246-L248 VanDerWaalsContact OG1-CB 3.3Å; T246-L248 WeakPolarHBondContact OG1-CB 3.38Å; T246-L248 PolarHBondContact OG1-N 3.36Å; T246-L248 VanDerWaalsContact OG1-N 3.15Å; T246-V257 WeakPolarHBondContact CB-O 3.49Å; T246-V257 WeakPolarHBondContact CG2-O 3.43Å; T246-V257 PolarHBondContact N-O 3.18Å; T246-V257 PolarHBondContact OG1-O 3.19Å; T246-T259 HydrophobicContact CG2-CG2 3.74Å; T246-L262 HydrophobicContact CG2-CD1 4.33Å
247L92.5Very high92Very high92 Ų9251.4 Ų51.448%0.48226%0.263SS..SBendtrans-88.79.4170.1-58.3175.8000112.4L122 P124 W291L122-L247 VanDerWaalsContact O-CB 3.31Å; L122-L247 WeakPolarHBondContact O-CB 3.41Å; L122-L247 PolarHBondContact O-N 3.11Å; P124-L247 HydrophobicContact CG-CB 3.85Å; P124-L247 HydrophobicContact CG-CD1 4.22Å; L247-W291 HydrophobicContact CD2-CH2 3.89Å; L247-W291 HydrophobicContact CD2-CZ3 4.23Å
248L93.2Very high91.8Very high1 Ų153.9 Ų53.91%0.00528%0.279CS..  trans-78.6143.7175.5-59163000109.9F121 E123 I128 F150 T246 N256 V257 L262F121-L248 WeakPolarHBondContact O-CD1 3.44Å; E123-L248 WeakPolarHBondContact O-CD2 3.21Å; I128-L248 HydrophobicContact CD1-CB 4.04Å; I128-L248 HydrophobicContact CD1-CD1 4.22Å; F150-L248 HydrophobicContact CE1-CD1 3.81Å; F150-L248 HydrophobicContact CE1-CD2 4.08Å; F150-L248 HydrophobicContact CZ-CD1 3.56Å; T246-L248 VanDerWaalsContact C-N 3.25Å; T246-L248 HydrophobicContact CG2-CD1 4.36Å; T246-L248 VanDerWaalsContact OG1-CB 3.3Å; T246-L248 WeakPolarHBondContact OG1-CB 3.38Å; T246-L248 PolarHBondContact OG1-N 3.36Å; T246-L248 VanDerWaalsContact OG1-N 3.15Å; L248-N256 CarbonylContact O-C 3.57Å; L248-N256 VanDerWaalsContact O-CA 3.23Å; L248-N256 WeakPolarHBondContact O-CA 3.17Å; L248-V257 HydrophobicContact CB-CB 4.1Å; L248-V257 HydrophobicContact CB-CG2 4.33Å; L248-V257 PolarHBondContact O-N 3.09Å; L248-L262 HydrophobicContact CD1-CD1 4.35Å; L248-L262 HydrophobicContact CD1-CD2 4.01Å
249K91Very high91.7Very high144 Ų14454 Ų5463%0.62628%0.28SS*.BIsolated β-bridgetrans-112.2129.2178-67.1-169.9176.3-173.90111.4K251K249-K251 PolarHBondContact O-N 2.87Å
250D89.7Confident91.5Very high2 Ų257.1 Ų57.11%0.01130%0.296CS..  trans-70.5111.2163.4-174.6-26.9000107.9F148 T252 L253 S254 V255 V257 R261F148-D250 HydrophobicContact CZ-CB 4.08Å; F148-D250 WeakPolarHBondContact CZ-OD2 3.22Å; D250-T252 PolarHBondContact O-N 2.91Å; D250-T252 WeakPolarHBondContact OD1-CA 3.39Å; D250-T252 WeakPolarHBondContact OD1-CB 3Å; D250-T252 PolarHBondContact OD1-N 2.92Å; D250-L253 HydrophobicContact CB-CB 4.26Å; D250-L253 PolarHBondContact OD1-N 3.19Å; D250-L253 WeakPolarHBondContact OD2-CD1 3.35Å; D250-L253 WeakPolarHBondContact OD2-CG 3.4Å; D250-S254 VanDerWaalsContact O-CA 3.24Å; D250-S254 WeakPolarHBondContact O-CA 3.46Å; D250-S254 PolarHBondContact O-N 2.58Å; D250-V255 HydrophobicContact CB-CG2 4.24Å; D250-V255 WeakPolarHBondContact CB-O 3.29Å; D250-V255 PolarHBondContact N-O 2.75Å; D250-V257 HydrophobicContact CB-CG2 3.98Å; D250-R261 IonicContact OD2-CZ 2.8Å; D250-R261 IonicContact OD2-NH1 3.22Å; D250-R261 PolarHBondContact OD2-NH1 2.53Å; D250-R261 IonicContact OD2-NH2 3.69Å; D250-R261 PolarHBondContact OD2-NH2 3.03Å
251K85.9Confident91.3Very high154 Ų15458 Ų5867%0.6730%0.299SS*.THydrogen-bonded Turntrans-66.5-26.7-178.6-65.9-179.8-177.4170.70112.4K249K249-K251 PolarHBondContact O-N 2.87Å
252T86Confident91.2Very high119 Ų11958 Ų5873%0.7330%0.299SS*.THydrogen-bonded Turntrans-80.5-48-178.1-53.70000110.6D250D250-T252 PolarHBondContact O-N 2.91Å; D250-T252 WeakPolarHBondContact OD1-CA 3.39Å; D250-T252 WeakPolarHBondContact OD1-CB 3Å; D250-T252 PolarHBondContact OD1-N 2.92Å
253L87.6Confident91.3Very high97 Ų9755.9 Ų55.951%0.50829%0.292SS..THydrogen-bonded Turntrans-91.1-10.9-176.5-62.6-178.5000113.7D250 V255D250-L253 HydrophobicContact CB-CB 4.26Å; D250-L253 PolarHBondContact OD1-N 3.19Å; D250-L253 WeakPolarHBondContact OD2-CD1 3.35Å; D250-L253 WeakPolarHBondContact OD2-CG 3.4Å; L253-V255 HydrophobicContact CB-CG2 3.8Å; L253-V255 PolarHBondContact O-N 3.02Å
254S87.5Confident91.4Very high105 Ų10555.7 Ų55.773%0.73429%0.29SS*.  trans56.330.8-175.6-61.40000114D250D250-S254 VanDerWaalsContact O-CA 3.24Å; D250-S254 WeakPolarHBondContact O-CA 3.46Å; D250-S254 PolarHBondContact O-N 2.58Å
255V90.3Very high91.7Very high68 Ų6848.8 Ų48.841%0.41226%0.264SS..SBendtrans-118.6161.5177.3-61.10000111.3D250 L253D250-V255 HydrophobicContact CB-CG2 4.24Å; D250-V255 WeakPolarHBondContact CB-O 3.29Å; D250-V255 PolarHBondContact N-O 2.75Å; L253-V255 HydrophobicContact CB-CG2 3.8Å; L253-V255 PolarHBondContact O-N 3.02Å
256N91.1Very high92.1Very high82 Ų8249.1 Ų49.144%0.43926%0.263SS..BIsolated β-bridgetrans-68.7140172.7-69.5-8.8000110.6L248L248-N256 CarbonylContact O-C 3.57Å; L248-N256 VanDerWaalsContact O-CA 3.23Å; L248-N256 WeakPolarHBondContact O-CA 3.17Å
257V92.7Very high92.2Very high0 Ų049.4 Ų49.40%026%0.264CS..PPolyproline II helixtrans-78.9131175.4-178.80000108.9I128 F148 T246 L248 D250 R261 L262I128-V257 HydrophobicContact CD1-CB 4.25Å; I128-V257 HydrophobicContact CD1-CG1 4.27Å; I128-V257 HydrophobicContact CD1-CG2 3.71Å; F148-V257 HydrophobicContact CD2-CB 4.5Å; F148-V257 HydrophobicContact CD2-CG1 3.59Å; F148-V257 HydrophobicContact CD2-CG2 4.01Å; F148-V257 HydrophobicContact CE2-CG1 3.98Å; F148-V257 HydrophobicContact CE2-CG2 3.75Å; F148-V257 HydrophobicContact CZ-CG2 4.37Å; T246-V257 WeakPolarHBondContact CB-O 3.49Å; T246-V257 WeakPolarHBondContact CG2-O 3.43Å; T246-V257 PolarHBondContact N-O 3.18Å; T246-V257 PolarHBondContact OG1-O 3.19Å; L248-V257 HydrophobicContact CB-CB 4.1Å; L248-V257 HydrophobicContact CB-CG2 4.33Å; L248-V257 PolarHBondContact O-N 3.09Å; D250-V257 HydrophobicContact CB-CG2 3.98Å; V257-R261 HydrophobicContact CG1-CB 3.85Å; V257-L262 HydrophobicContact CG1-CD2 3.86Å; V257-L262 HydrophobicContact CG1-CG 4.49Å
258T93.5Very high92.5Very high52 Ų5245 Ų4532%0.31924%0.241SC..PPolyproline II helixtrans-83.3155.6172.555.20000110.3D260 R261T258-D260 PolarHBondContact O-N 3.23Å; T258-R261 WeakPolarHBondContact O-CB 3.2Å; T258-R261 PolarHBondContact O-N 3.01Å
259T94.2Very high92.6Very high4 Ų446.3 Ų46.33%0.02525%0.246CC..G310 helixtrans-59.8-34.3-178.849.50000112.5L122 S240 C243 T246 R261 L262 V265L122-T259 HydrophobicContact CD2-CG2 3.79Å; S240-T259 VanDerWaalsContact O-CG2 3.26Å; S240-T259 WeakPolarHBondContact O-CG2 3.41Å; C243-T259 HydrophobicContact CB-CG2 4.05Å; C243-T259 VanDerWaalsContact O-CG2 3.28Å; C243-T259 WeakPolarHBondContact O-CG2 3.3Å; C243-T259 PolarHBondContact O-OG1 3.04Å; T246-T259 HydrophobicContact CG2-CG2 3.74Å; T259-R261 PolarHBondContact O-N 3.27Å; T259-L262 WeakPolarHBondContact O-CB 3.23Å; T259-L262 PolarHBondContact O-N 2.81Å; T259-V265 WeakPolarHBondContact O-CB 3.26Å
260D93.2Very high92.8Very high67 Ų6742.1 Ų42.136%0.35823%0.227SC..G310 helixtrans-68.7-12176.4-63.4-46.9000114.4F143 V144 T258 K269F143-D260 WeakPolarHBondContact CD1-O 3.26Å; V144-D260 HydrophobicContact CG2-CB 4.09Å; T258-D260 PolarHBondContact O-N 3.23Å; D260-K269 IonicContact OD1-NZ 3.69Å; D260-K269 PolarHBondContact OD1-NZ 2.74Å
261R93.8Very high93.1Very high19 Ų1942 Ų427%0.07223%0.226CC..G310 helixtrans-90.5-2.6171.6-68.4179.170.9-170.24.6112.6D146 A147 F148 D250 V257 T258 T259D146-R261 PolarHBondContact O-NE 3.5Å; A147-R261 CarbonylContact C-O 3.54Å; A147-R261 WeakPolarHBondContact CA-O 3.24Å; F148-R261 HydrophobicContact CD2-CB 4.2Å; F148-R261 VanDerWaalsContact CE2-CZ 3.41Å; F148-R261 PolarHBondContact N-O 3.39Å; D250-R261 IonicContact OD2-CZ 2.8Å; D250-R261 IonicContact OD2-NH1 3.22Å; D250-R261 PolarHBondContact OD2-NH1 2.53Å; D250-R261 IonicContact OD2-NH2 3.69Å; D250-R261 PolarHBondContact OD2-NH2 3.03Å; V257-R261 HydrophobicContact CG1-CB 3.85Å; T258-R261 WeakPolarHBondContact O-CB 3.2Å; T258-R261 PolarHBondContact O-N 3.01Å; T259-R261 PolarHBondContact O-N 3.27Å
262L95.1Very high93.6Very high0 Ų034.7 Ų34.70%020%0.195CC..BIsolated β-bridgetrans-89.6121.2178.4-57.5178.5000110.4F121 F148 F150 T246 L248 V257 T259 I264 V265 H266F121-L262 HydrophobicContact CB-CD1 4.27Å; F148-L262 HydrophobicContact CB-CD2 4.26Å; F150-L262 HydrophobicContact CE2-CD1 4.08Å; F150-L262 HydrophobicContact CE2-CD2 4.03Å; F150-L262 HydrophobicContact CE2-CG 4.49Å; F150-L262 HydrophobicContact CZ-CD1 4.1Å; F150-L262 HydrophobicContact CZ-CD2 3.87Å; T246-L262 HydrophobicContact CG2-CD1 4.33Å; L248-L262 HydrophobicContact CD1-CD1 4.35Å; L248-L262 HydrophobicContact CD1-CD2 4.01Å; V257-L262 HydrophobicContact CG1-CD2 3.86Å; V257-L262 HydrophobicContact CG1-CG 4.49Å; T259-L262 WeakPolarHBondContact O-CB 3.23Å; T259-L262 PolarHBondContact O-N 2.81Å; L262-I264 VanDerWaalsContact C-N 3.28Å; L262-I264 HydrophobicContact CB-CG2 4.38Å; L262-I264 PolarHBondContact O-N 3.24Å; L262-V265 HydrophobicContact CB-CB 4.12Å; L262-V265 HydrophobicContact CB-CG2 3.74Å; L262-V265 HydrophobicContact CD1-CG2 4.04Å; L262-V265 HydrophobicContact CG-CG2 4.45Å; L262-V265 WeakPolarHBondContact O-CB 3.28Å; L262-V265 PolarHBondContact O-N 3.06Å; L262-H266 PolarHBondContact O-N 3.43Å
263A95.8Very high93.9Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-56.6-40.6178.400000113F143 F148 D149 T209 V265 H266 H267F143-A263 HydrophobicContact CZ-CB 4.46Å; F148-A263 WeakPolarHBondContact O-CB 3.3Å; F148-A263 PolarHBondContact O-N 3.01Å; D149-A263 WeakPolarHBondContact OD1-CB 3.45Å; T209-A263 HydrophobicContact CG2-CB 3.83Å; A263-V265 VanDerWaalsContact C-N 3.27Å; A263-V265 PolarHBondContact O-N 3.38Å; A263-H266 WeakPolarHBondContact O-CB 3.38Å; A263-H266 PolarHBondContact O-N 3.31Å; A263-H267 PolarHBondContact O-CD2 3.33Å; A263-H267 PolarHBondContact O-N 3.2Å
264I96.2Very high94.2Very high5 Ų530.6 Ų30.63%0.02616%0.159CC..Hα-helixtrans-61.9-36.3177.9-166.960.4000112F115 F121 F150 T209 I212 L262 H267 L268F115-I264 HydrophobicContact CE1-CD1 4.1Å; F115-I264 HydrophobicContact CE1-CG1 4.48Å; F121-I264 HydrophobicContact CD1-CG2 4.37Å; F121-I264 HydrophobicContact CE1-CG1 4.47Å; F121-I264 HydrophobicContact CE1-CG2 4.08Å; F121-I264 HydrophobicContact CE2-CG2 4.27Å; F121-I264 HydrophobicContact CZ-CG1 3.98Å; F121-I264 HydrophobicContact CZ-CG2 4.03Å; F150-I264 HydrophobicContact CD2-CG2 4.09Å; F150-I264 HydrophobicContact CE2-CG2 4.01Å; T209-I264 HydrophobicContact CG2-CB 4.13Å; I212-I264 HydrophobicContact CB-CD1 4.3Å; I212-I264 HydrophobicContact CD1-CD1 4.24Å; I212-I264 HydrophobicContact CG2-CD1 3.82Å; L262-I264 VanDerWaalsContact C-N 3.28Å; L262-I264 HydrophobicContact CB-CG2 4.38Å; L262-I264 PolarHBondContact O-N 3.24Å; I264-H267 PolarHBondContact O-N 3.32Å; I264-L268 HydrophobicContact CG1-CD1 4.24Å; I264-L268 HydrophobicContact CG1-CG 4.46Å; I264-L268 WeakPolarHBondContact O-CB 3.13Å; I264-L268 VanDerWaalsContact O-CG 3.28Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 3.2Å
265V95.8Very high94.3Very high2 Ų227.5 Ų27.51%0.01213%0.134CC..Hα-helixtrans-65.8-42.5177172.40000110.2L241 T259 L262 A263 L268 K269L241-V265 HydrophobicContact CB-CG1 4.12Å; L241-V265 HydrophobicContact CD2-CB 4.27Å; L241-V265 HydrophobicContact CD2-CG1 4.09Å; L241-V265 HydrophobicContact CD2-CG2 3.88Å; T259-V265 WeakPolarHBondContact O-CB 3.26Å; L262-V265 HydrophobicContact CB-CB 4.12Å; L262-V265 HydrophobicContact CB-CG2 3.74Å; L262-V265 HydrophobicContact CD1-CG2 4.04Å; L262-V265 HydrophobicContact CG-CG2 4.45Å; L262-V265 WeakPolarHBondContact O-CB 3.28Å; L262-V265 PolarHBondContact O-N 3.06Å; A263-V265 VanDerWaalsContact C-N 3.27Å; A263-V265 PolarHBondContact O-N 3.38Å; V265-L268 PolarHBondContact O-N 3.13Å; V265-K269 HydrophobicContact CG1-CD 4.09Å; V265-K269 HydrophobicContact CG1-CG 4.39Å; V265-K269 WeakPolarHBondContact O-CB 3.46Å; V265-K269 WeakPolarHBondContact O-CG 3.44Å; V265-K269 PolarHBondContact O-N 3.45Å
266H95.2Very high94.4Very high19 Ų1924.3 Ų24.39%0.08812%0.115CC..Hα-helixtrans-58.6-48.4173.3169.568.4000112.2H139 F143 L262 A263 L268 K269 R270H139-H266 AromaticContact CD2-CD2 3.77Å; H139-H266 AromaticContact CD2-NE2 3.32Å; H139-H266 PolarHBondContact CD2-NE2 2.8Å; H139-H266 VanDerWaalsContact CD2-NE2 3.32Å; H139-H266 AromaticContact CE1-NE2 4Å; H139-H266 AromaticContact CG-CD2 3.98Å; H139-H266 AromaticContact CG-NE2 3.21Å; H139-H266 AromaticContact ND1-NE2 3.66Å; H139-H266 AromaticContact NE2-NE2 3.78Å; F143-H266 HydrophobicContact CE1-CB 3.79Å; F143-H266 HydrophobicContact CZ-CB 3.96Å; L262-H266 PolarHBondContact O-N 3.43Å; A263-H266 WeakPolarHBondContact O-CB 3.38Å; A263-H266 PolarHBondContact O-N 3.31Å; H266-L268 PolarHBondContact O-N 2.86Å; H266-K269 PolarHBondContact O-N 3.35Å; H266-R270 VanDerWaalsContact CE1-CD 3.46Å; H266-R270 WeakPolarHBondContact CE1-CD 3.5Å; H266-R270 WeakPolarHBondContact O-CG 3.1Å; H266-R270 PolarHBondContact O-N 2.86Å
267H96.4Very high94.2Very high6 Ų621.2 Ų21.23%0.02810%0.097CC..Hα-helixtrans-61.6-42.9178.1-64.1-50.6000112.6H135 G213 L216 A263 I264 R270 A271H135-H267 AromaticContact CE1-CE1 3.66Å; H135-H267 AromaticContact CE1-NE2 3.3Å; H135-H267 PolarHBondContact CE1-NE2 3.27Å; H135-H267 VanDerWaalsContact CE1-NE2 3.3Å; H135-H267 AromaticContact NE2-CE1 3.08Å; H135-H267 PolarHBondContact NE2-CE1 3.35Å; H135-H267 AromaticContact NE2-NE2 3.23Å; H135-H267 PolarHBondContact NE2-NE2 3.4Å; G213-H267 WeakPolarHBondContact CA-ND1 3.47Å; L216-H267 HydrophobicContact CD1-CB 4.05Å; A263-H267 PolarHBondContact O-CD2 3.33Å; A263-H267 PolarHBondContact O-N 3.2Å; I264-H267 PolarHBondContact O-N 3.32Å; H267-R270 PolarHBondContact O-N 3.06Å; H267-A271 PolarHBondContact O-N 3.11Å
268L97.4Very high94.1Very high0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-65.4-45.9177.6-75.1177000112.3F115 F121 L216 I235 L241 I264 V265 H266 R270 A271 L272F115-L268 HydrophobicContact CD1-CD1 4.08Å; F115-L268 HydrophobicContact CD1-CD2 3.99Å; F115-L268 HydrophobicContact CD2-CD2 3.69Å; F115-L268 HydrophobicContact CE1-CD1 4.24Å; F115-L268 HydrophobicContact CE1-CD2 3.74Å; F115-L268 HydrophobicContact CE1-CG 4.29Å; F115-L268 HydrophobicContact CE2-CD2 3.41Å; F115-L268 VanDerWaalsContact CE2-CD2 3.41Å; F115-L268 HydrophobicContact CG-CD1 4.46Å; F115-L268 HydrophobicContact CG-CD2 3.97Å; F115-L268 HydrophobicContact CZ-CD2 3.44Å; F115-L268 VanDerWaalsContact CZ-CD2 3.44Å; F115-L268 HydrophobicContact CZ-CG 4.38Å; F121-L268 HydrophobicContact CE2-CD1 3.79Å; F121-L268 HydrophobicContact CZ-CD1 4.2Å; L216-L268 HydrophobicContact CD1-CD2 4.26Å; I235-L268 HydrophobicContact CD1-CD2 3.95Å; L241-L268 HydrophobicContact CD1-CB 3.98Å; L241-L268 HydrophobicContact CD2-CB 4.25Å; L241-L268 HydrophobicContact CD2-CD1 3.81Å; I264-L268 HydrophobicContact CG1-CD1 4.24Å; I264-L268 HydrophobicContact CG1-CG 4.46Å; I264-L268 WeakPolarHBondContact O-CB 3.13Å; I264-L268 VanDerWaalsContact O-CG 3.28Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 3.2Å; V265-L268 PolarHBondContact O-N 3.13Å; H266-L268 PolarHBondContact O-N 2.86Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 2.9Å; L268-A271 CarbonylContact O-C 3.16Å; L268-A271 WeakPolarHBondContact O-CB 3.28Å; L268-A271 PolarHBondContact O-N 3.18Å; L268-L272 WeakPolarHBondContact O-CG 3.2Å; L268-L272 PolarHBondContact O-N 3.38Å
269K96.5Very high94.2Very high27 Ų2719.5 Ų19.512%0.1179%0.085CC..Hα-helixtrans-55.3-47.8174.1-75.5179.1-179178.50110.2L241 W242 D260 V265 H266 A271 L272 R273 Y311L241-K269 WeakPolarHBondContact O-CE 3.35Å; L241-K269 PolarHBondContact O-NZ 2.69Å; W242-K269 HydrophobicContact CZ2-CG 4.31Å; D260-K269 IonicContact OD1-NZ 3.69Å; D260-K269 PolarHBondContact OD1-NZ 2.74Å; V265-K269 HydrophobicContact CG1-CD 4.09Å; V265-K269 HydrophobicContact CG1-CG 4.39Å; V265-K269 WeakPolarHBondContact O-CB 3.46Å; V265-K269 WeakPolarHBondContact O-CG 3.44Å; V265-K269 PolarHBondContact O-N 3.45Å; H266-K269 PolarHBondContact O-N 3.35Å; K269-A271 VanDerWaalsContact C-N 3.27Å; K269-A271 PolarHBondContact O-N 2.85Å; K269-L272 PolarHBondContact O-N 2.97Å; K269-R273 PolarHBondContact O-N 3.45Å; K269-Y311 HydrophobicContact CB-CE1 4.38Å; K269-Y311 VanDerWaalsContact O-CE1 3.31Å; K269-Y311 WeakPolarHBondContact O-CE1 3.31Å; K269-Y311 PolarHBondContact O-OH 3.27Å
270R94.6Very high94.3Very high56 Ų5619.4 Ų19.421%0.2118%0.084CC..Hα-helixtrans-59.6-33.8176.7-73.8179.664.4-161.61.7113.9H139 H266 H267 L268H139-R270 PolarHBondContact CE1-NH1 3.38Å; H139-R270 PolarHBondContact NE2-NH1 3.14Å; H266-R270 VanDerWaalsContact CE1-CD 3.46Å; H266-R270 WeakPolarHBondContact CE1-CD 3.5Å; H266-R270 WeakPolarHBondContact O-CG 3.1Å; H266-R270 PolarHBondContact O-N 2.86Å; H267-R270 PolarHBondContact O-N 3.06Å; L268-R270 VanDerWaalsContact C-N 3.3Å; L268-R270 PolarHBondContact O-N 2.9Å
271A95.8Very high94.6Very high1 Ų116.2 Ų16.21%0.0087%0.067CC..Hα-helixtrans-72.7-41.3172.100000110.9L216 L233 H267 L268 K269 R273 G274 W276L216-A271 HydrophobicContact CB-CB 4.5Å; L216-A271 HydrophobicContact CD1-CB 4.45Å; L216-A271 HydrophobicContact CD2-CB 4.1Å; L233-A271 HydrophobicContact CD2-CB 3.76Å; H267-A271 PolarHBondContact O-N 3.11Å; L268-A271 CarbonylContact O-C 3.16Å; L268-A271 WeakPolarHBondContact O-CB 3.28Å; L268-A271 PolarHBondContact O-N 3.18Å; K269-A271 VanDerWaalsContact C-N 3.27Å; K269-A271 PolarHBondContact O-N 2.85Å; A271-R273 PolarHBondContact O-N 3.43Å; A271-G274 PolarHBondContact O-N 2.82Å; A271-W276 HydrophobicContact CB-CH2 4.13Å; A271-W276 HydrophobicContact CB-CZ3 4.43Å; A271-W276 WeakPolarHBondContact O-CH2 3.48Å; A271-W276 WeakPolarHBondContact O-CZ3 3.28Å
272L96.6Very high94.8Very high0 Ų015.3 Ų15.30%06%0.064CC..Hα-helixtrans-61.5-15179.9-73.6170.9000115R83 L233 I235 V238 L241 W242 L268 K269 G274 I281 T283 Y311 M312R83-L272 WeakPolarHBondContact CD-O 3.46Å; R83-L272 PolarHBondContact NH1-O 2.67Å; L233-L272 HydrophobicContact CD2-CD2 4.48Å; I235-L272 HydrophobicContact CD1-CD1 4.26Å; I235-L272 HydrophobicContact CD1-CD2 3.89Å; I235-L272 HydrophobicContact CD1-CG 4.14Å; V238-L272 HydrophobicContact CG2-CD1 3.63Å; V238-L272 HydrophobicContact CG2-CD2 4.48Å; L241-L272 HydrophobicContact CD1-CD1 3.42Å; L241-L272 VanDerWaalsContact CD1-CD1 3.42Å; W242-L272 HydrophobicContact CH2-CD1 4.06Å; L268-L272 WeakPolarHBondContact O-CG 3.2Å; L268-L272 PolarHBondContact O-N 3.38Å; K269-L272 PolarHBondContact O-N 2.97Å; L272-G274 PolarHBondContact O-N 3.35Å; L272-G274 VanDerWaalsContact O-N 3.13Å; L272-I281 HydrophobicContact CD2-CG2 3.7Å; L272-T283 HydrophobicContact CD2-CG2 3.97Å; L272-Y311 HydrophobicContact CB-CD1 4.48Å; L272-Y311 HydrophobicContact CB-CE1 4.01Å; L272-M312 HydrophobicContact CB-SD 4.22Å; L272-M312 HydrophobicContact CD1-SD 4.01Å; L272-M312 HydrophobicContact CD2-CE 4.12Å; L272-M312 HydrophobicContact CD2-SD 4.01Å; L272-M312 HydrophobicContact CG-SD 4.31Å
273R93.5Very high94.9Very high130 Ų13015.3 Ų15.349%0.4916%0.064SC..THydrogen-bonded Turntrans-52.5-31.2168-66.7-171.6180-176.80.1112.8R83 K269 A271 D275 Y311R83-R273 PolarHBondContact NH1-O 2.9Å; K269-R273 PolarHBondContact O-N 3.45Å; A271-R273 PolarHBondContact O-N 3.43Å; R273-D275 PolarHBondContact O-N 2.79Å; R273-Y311 HydrophobicContact CG-CE1 4.42Å; R273-Y311 WeakPolarHBondContact CG-OH 3.47Å; R273-Y311 PolarHBondContact NE-OH 3.3Å
274G93Very high95.1Very high0 Ų015.3 Ų15.30%06%0.064CC..  trans67.516.4174.700000114.3C80 V81 A271 L272 W276C80-G274 CarbonylContact C-O 3.51Å; C80-G274 WeakPolarHBondContact CA-O 3.37Å; C80-G274 PolarHBondContact SG-O 2.96Å; V81-G274 WeakPolarHBondContact CG2-O 3.45Å; V81-G274 PolarHBondContact N-O 3.32Å; A271-G274 PolarHBondContact O-N 2.82Å; L272-G274 PolarHBondContact O-N 3.35Å; L272-G274 VanDerWaalsContact O-N 3.13Å; G274-W276 PolarHBondContact O-N 3.35Å
275D90.3Very high95.1Very high39 Ų3915.4 Ų15.421%0.2097%0.065CC..  trans-7657.3-179.258.1-8.3000112.3R220 R273R220-D275 VanDerWaalsContact CZ-CG 3.48Å; R220-D275 IonicContact CZ-OD1 2.69Å; R220-D275 IonicContact CZ-OD2 2.65Å; R220-D275 IonicContact NE-OD1 3.2Å; R220-D275 PolarHBondContact NE-OD1 3.49Å; R220-D275 IonicContact NH1-OD1 2.8Å; R220-D275 IonicContact NH1-OD2 3.5Å; R220-D275 IonicContact NH2-OD1 3.45Å; R220-D275 PolarHBondContact NH2-OD1 2.95Å; R220-D275 IonicContact NH2-OD2 2.8Å; R220-D275 PolarHBondContact NH2-OD2 2.86Å; R273-D275 PolarHBondContact O-N 2.79Å
276W90.9Very high95.1Very high2 Ų217 Ų171%0.0087%0.074CC..  trans-144.8172.8171.861.189.1000110.3V81 M219 R220 S224 L233 A271 G274 I281V81-W276 HydrophobicContact CG1-CG 4.09Å; V81-W276 VanDerWaalsContact CG1-NE1 3.31Å; V81-W276 WeakPolarHBondContact CG1-O 3.37Å; V81-W276 HydrophobicContact CG2-CD2 4Å; V81-W276 VanDerWaalsContact CG2-CE2 3.43Å; V81-W276 HydrophobicContact CG2-CG 4.31Å; V81-W276 HydrophobicContact CG2-CZ2 3.85Å; V81-W276 VanDerWaalsContact CG2-NE1 3.29Å; V81-W276 PolarHBondContact N-O 2.98Å; M219-W276 HydrophobicContact CE-CD2 4.3Å; M219-W276 HydrophobicContact CE-CE3 4.31Å; M219-W276 HydrophobicContact CE-CH2 3.38Å; M219-W276 HydrophobicContact CE-CZ2 3.51Å; M219-W276 HydrophobicContact CE-CZ3 3.82Å; R220-W276 HydrophobicContact CB-CB 4.38Å; R220-W276 HydrophobicContact CB-CE3 4.23Å; R220-W276 HydrophobicContact CG-CD2 4.19Å; R220-W276 HydrophobicContact CG-CE3 3.42Å; R220-W276 VanDerWaalsContact CG-CE3 3.42Å; R220-W276 HydrophobicContact CG-CZ3 3.59Å; S224-W276 WeakPolarHBondContact OG-CA 3.28Å; S224-W276 WeakPolarHBondContact OG-CB 3.39Å; L233-W276 HydrophobicContact CD2-CH2 4.09Å; L233-W276 HydrophobicContact CD2-CZ2 4.41Å; A271-W276 HydrophobicContact CB-CH2 4.13Å; A271-W276 HydrophobicContact CB-CZ3 4.43Å; A271-W276 WeakPolarHBondContact O-CH2 3.48Å; A271-W276 WeakPolarHBondContact O-CZ3 3.28Å; G274-W276 PolarHBondContact O-N 3.35Å; W276-I281 HydrophobicContact CH2-CD1 3.94Å; W276-I281 HydrophobicContact CH2-CG1 4.3Å; W276-I281 HydrophobicContact CZ2-CD1 3.82Å; W276-I281 HydrophobicContact CZ2-CG1 3.78Å
277R88.5Confident95Very high17 Ų1717.7 Ų17.76%0.0648%0.077CC..SBendtrans-106.1-49.1-164-166.5166.4167.8176.515.5116.3Q60 S63 F64 E67 Y79 S224Q60-R277 WeakPolarHBondContact CG-O 3.43Å; Q60-R277 PolarHBondContact NE2-O 2.71Å; Q60-R277 VanDerWaalsContact NE2-O 3.11Å; S63-R277 PolarHBondContact O-NH2 2.93Å; S63-R277 PolarHBondContact OG-NE 2.86Å; S63-R277 PolarHBondContact OG-NH2 3Å; F64-R277 VanDerWaalsContact CA-NH2 3.31Å; F64-R277 VanDerWaalsContact CD1-CZ 3.42Å; F64-R277 VanDerWaalsContact CD1-NH1 3.26Å; F64-R277 VanDerWaalsContact CE1-CZ 3.48Å; F64-R277 HydrophobicContact CE2-CB 4.3Å; F64-R277 HydrophobicContact CE2-CG 3.6Å; F64-R277 HydrophobicContact CZ-CB 4.25Å; F64-R277 HydrophobicContact CZ-CG 3.89Å; F64-R277 VanDerWaalsContact CZ-NE 3.34Å; F64-R277 VanDerWaalsContact N-NH2 3.16Å; E67-R277 IonicContact OE2-CZ 2.9Å; E67-R277 IonicContact OE2-NH1 2.89Å; E67-R277 PolarHBondContact OE2-NH1 3.33Å; E67-R277 IonicContact OE2-NH2 3.17Å; E67-R277 PolarHBondContact OE2-NH2 3.03Å; Y79-R277 HydrophobicContact CD1-CG 4.36Å; Y79-R277 HydrophobicContact CD2-CG 4.19Å; Y79-R277 HydrophobicContact CG-CG 3.96Å; Y79-R277 PolarHBondContact OH-NH2 2.93Å; S224-R277 PolarHBondContact OG-N 3.2Å
278H90.7Very high94.8Very high16 Ų1622.7 Ų22.77%0.07410%0.096CC..SBendtrans-95.8118.4179.9-69165.6000111.5F64 S223 G228 P230 C231F64-H278 AromaticContact CD2-CD2 3.93Å; F64-H278 AromaticContact CD2-CE1 3.58Å; F64-H278 AromaticContact CD2-NE2 3.08Å; F64-H278 WeakPolarHBondContact CD2-NE2 3.18Å; F64-H278 AromaticContact CE2-CD2 3.35Å; F64-H278 WeakPolarHBondContact CE2-CD2 3.24Å; F64-H278 AromaticContact CE2-CE1 3.2Å; F64-H278 WeakPolarHBondContact CE2-CE1 3.4Å; F64-H278 AromaticContact CE2-CG 3.95Å; F64-H278 AromaticContact CE2-ND1 3.87Å; F64-H278 AromaticContact CE2-NE2 2.87Å; F64-H278 WeakPolarHBondContact CE2-NE2 2.85Å; F64-H278 AromaticContact CZ-CE1 3.89Å; F64-H278 AromaticContact CZ-NE2 3.96Å; S223-H278 WeakPolarHBondContact CB-O 3.44Å; S223-H278 WeakPolarHBondContact O-CB 3.35Å; S223-H278 PolarHBondContact O-N 3.44Å; G228-H278 PolarHBondContact O-ND1 3.19Å; P230-H278 HydrophobicContact CB-CB 4.5Å; C231-H278 PolarHBondContact N-O 3.02Å
279G94.6Very high94.6Very high0 Ų022.7 Ų22.70%010%0.096CC..EExtended strand (participates in β ladder)trans135-171.2174.600000114.5Q60 V81 C231Q60-G279 PolarHBondContact NE2-O 2.92Å; V81-G279 VanDerWaalsContact CG1-O 3.26Å; V81-G279 WeakPolarHBondContact CG1-O 3.17Å; C231-G279 CarbonylContact O-C 3.59Å; C231-G279 WeakPolarHBondContact O-CA 3.44Å
280V96.9Very high94.4Very high1 Ų121.8 Ų21.81%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-144.3153175.8-59.40000109.9V53 I56 P82 F84 W110 C231 L232 L233 V282V53-V280 HydrophobicContact CG1-CG1 4.48Å; V53-V280 HydrophobicContact CG1-CG2 4.42Å; V53-V280 HydrophobicContact CG2-CG1 4.36Å; V53-V280 HydrophobicContact CG2-CG2 4.17Å; I56-V280 HydrophobicContact CD1-CG1 4.32Å; I56-V280 HydrophobicContact CG2-CG1 3.96Å; P82-V280 HydrophobicContact CG-CG1 4.03Å; F84-V280 HydrophobicContact CE2-CB 4.36Å; F84-V280 HydrophobicContact CE2-CG1 4.32Å; W110-V280 HydrophobicContact CH2-CG1 4.39Å; W110-V280 HydrophobicContact CH2-CG2 4.5Å; W110-V280 HydrophobicContact CZ3-CG1 4.38Å; W110-V280 HydrophobicContact CZ3-CG2 3.92Å; C231-V280 PolarHBondContact O-N 3.15Å; L232-V280 HydrophobicContact CD1-CG2 3.65Å; L233-V280 PolarHBondContact N-O 3.13Å; L233-V280 VanDerWaalsContact N-O 3.16Å; V280-V282 HydrophobicContact CG2-CG2 3.94Å
281I98.2Very high94.3Very high0 Ų021.9 Ų21.90%09%0.094CC..EExtended strand (participates in β ladder)trans-104.3122.9168.8-66.8169.2000107V81 P82 R83 F84 L233 L272 W276 T283V81-I281 HydrophobicContact CG2-CD1 3.7Å; V81-I281 HydrophobicContact CG2-CG1 3.76Å; P82-I281 PolarHBondContact O-N 3.24Å; R83-I281 CarbonylContact C-O 3.51Å; R83-I281 WeakPolarHBondContact CA-O 3.28Å; R83-I281 HydrophobicContact CB-CB 4.48Å; R83-I281 HydrophobicContact CG-CB 3.95Å; R83-I281 HydrophobicContact CG-CD1 3.86Å; R83-I281 HydrophobicContact CG-CG1 4.48Å; R83-I281 HydrophobicContact CG-CG2 4.08Å; F84-I281 PolarHBondContact N-O 2.78Å; L233-I281 HydrophobicContact CB-CG1 4.22Å; L233-I281 HydrophobicContact CD2-CG1 4.22Å; L233-I281 WeakPolarHBondContact O-CA 3.39Å; L272-I281 HydrophobicContact CD2-CG2 3.7Å; W276-I281 HydrophobicContact CH2-CD1 3.94Å; W276-I281 HydrophobicContact CH2-CG1 4.3Å; W276-I281 HydrophobicContact CZ2-CD1 3.82Å; W276-I281 HydrophobicContact CZ2-CG1 3.78Å; I281-T283 HydrophobicContact CG2-CG2 3.72Å
282V98.4Very high94Very high0 Ų025.7 Ų25.70%012%0.118CC..EExtended strand (participates in β ladder)trans-118.6114.9176.71770000108.4M49 F84 L86 L98 I101 L232 L233 V234 I235 V280M49-V282 HydrophobicContact CE-CG1 3.75Å; M49-V282 HydrophobicContact CE-CG2 4.05Å; F84-V282 HydrophobicContact CB-CG2 4.4Å; F84-V282 HydrophobicContact CD2-CG2 4.18Å; L86-V282 HydrophobicContact CD1-CG1 3.52Å; L98-V282 HydrophobicContact CD2-CG1 3.62Å; I101-V282 HydrophobicContact CG2-CG2 4.35Å; L232-V282 HydrophobicContact CD1-CB 4.03Å; L232-V282 HydrophobicContact CD1-CG2 3.69Å; L233-V282 PolarHBondContact O-N 3.5Å; V234-V282 CarbonylContact C-O 3.55Å; V234-V282 WeakPolarHBondContact CA-O 3.3Å; I235-V282 PolarHBondContact N-O 2.83Å; V280-V282 HydrophobicContact CG2-CG2 3.94Å
283T98.5Very high93.7Very high0 Ų029.4 Ų29.40%014%0.141CC..EExtended strand (participates in β ladder)trans-121.9160.3-17962.60000110.6F84 V85 L86 I235 V238 L272 I281 M312F84-T283 PolarHBondContact O-N 2.9Å; F84-T283 PolarHBondContact O-OG1 2.8Å; V85-T283 CarbonylContact C-O 3.48Å; V85-T283 WeakPolarHBondContact CA-O 3.5Å; V85-T283 WeakPolarHBondContact CG2-OG1 3.47Å; L86-T283 VanDerWaalsContact CD1-O 3.27Å; L86-T283 WeakPolarHBondContact CD1-O 3.21Å; L86-T283 PolarHBondContact N-O 3.03Å; I235-T283 HydrophobicContact CB-CG2 4.07Å; I235-T283 HydrophobicContact CG1-CG2 4.44Å; I235-T283 CarbonylContact O-C 3.59Å; I235-T283 WeakPolarHBondContact O-CA 3.29Å; V238-T283 HydrophobicContact CB-CG2 4.19Å; V238-T283 HydrophobicContact CG1-CG2 4.45Å; V238-T283 HydrophobicContact CG2-CG2 4.07Å; L272-T283 HydrophobicContact CD2-CG2 3.97Å; I281-T283 HydrophobicContact CG2-CG2 3.72Å; T283-M312 HydrophobicContact CG2-CE 4.01Å
284S98.2Very high93.6Very high0 Ų025.6 Ų25.60%013%0.13CC..EExtended strand (participates in β ladder)trans-123.1153.7163.767.30000110.8L86 V94 I235 D236 G237 V238L86-S284 CarbonylContact O-C 3.55Å; L86-S284 WeakPolarHBondContact O-CA 3.33Å; V94-S284 VanDerWaalsContact CG1-CB 3.42Å; I235-S284 PolarHBondContact O-N 3.44Å; D236-S284 VanDerWaalsContact CA-OG 3.23Å; D236-S284 WeakPolarHBondContact CA-OG 3.39Å; D236-S284 PolarHBondContact OD1-OG 3.08Å; G237-S284 CarbonylContact C-O 3.2Å; G237-S284 WeakPolarHBondContact CA-O 3.11Å; G237-S284 PolarHBondContact N-O 2.9Å; G237-S284 VanDerWaalsContact N-O 3.17Å; G237-S284 PolarHBondContact N-OG 3.44Å; V238-S284 WeakPolarHBondContact CG1-O 3.35Å; V238-S284 PolarHBondContact N-O 3.44Å
285T97.3Very high93.5Very high8 Ų830.6 Ų30.65%0.04915%0.149CC..  trans-95.3137.5159.156.40000109.9V85 L86 H87 V238 N239 P300 L303 L304V85-T285 HydrophobicContact CG1-CG2 3.85Å; L86-T285 PolarHBondContact O-N 3.36Å; H87-T285 VanDerWaalsContact CB-OG1 3.3Å; H87-T285 WeakPolarHBondContact CB-OG1 3.37Å; V238-T285 HydrophobicContact CG1-CG2 4.5Å; N239-T285 WeakPolarHBondContact OD1-CA 3.39Å; T285-P300 HydrophobicContact CG2-CB 4.33Å; T285-L303 HydrophobicContact CG2-CB 4.48Å; T285-L304 HydrophobicContact CG2-CD2 4.25Å; T285-L304 HydrophobicContact CG2-CG 4.15Å
286N94.6Very high93.6Very high36 Ų3635.5 Ų35.519%0.19317%0.171CC..  trans-130.6128.8179.3-179.9-12.3000109.4E119 N239 R288 A289E119-N286 PolarHBondContact OE2-ND2 3.32Å; N239-N286 PolarHBondContact ND2-O 3.15Å; N239-N286 PolarHBondContact OD1-N 3.34Å; N239-N286 PolarHBondContact OD1-O 2.89Å; N286-R288 PolarHBondContact O-N 3.23Å; N286-R288 WeakPolarHBondContact OD1-CB 3.37Å; N286-R288 PolarHBondContact OD1-N 2.84Å; N286-A289 HydrophobicContact CB-CB 4.15Å; N286-A289 WeakPolarHBondContact O-CA 3.32Å; N286-A289 WeakPolarHBondContact O-CB 3.47Å; N286-A289 PolarHBondContact O-N 3Å
287I94Very high93.7Very high32 Ų3240 Ų4016%0.16419%0.192CC..G310 helixtrans-60.5-31179.8-154.5169.8000112.2P90 A289 A290 R295 L303P90-I287 HydrophobicContact CB-CG2 4.41Å; P90-I287 HydrophobicContact CG-CB 4.46Å; P90-I287 HydrophobicContact CG-CD1 4.3Å; P90-I287 HydrophobicContact CG-CG2 3.77Å; I287-A289 VanDerWaalsContact C-N 3.27Å; I287-A289 PolarHBondContact O-N 3.24Å; I287-A290 WeakPolarHBondContact O-CB 3.15Å; I287-A290 PolarHBondContact O-N 3.47Å; I287-A290 VanDerWaalsContact O-N 3.13Å; I287-R295 HydrophobicContact CD1-CB 4Å; I287-R295 WeakPolarHBondContact CD1-O 3.38Å; I287-R295 HydrophobicContact CG1-CB 3.71Å; I287-R295 HydrophobicContact CG1-CG 3.99Å; I287-R295 WeakPolarHBondContact O-CD 3.33Å; I287-R295 WeakPolarHBondContact O-CG 3.37Å; I287-R295 PolarHBondContact O-NE 2.86Å; I287-L303 HydrophobicContact CG1-CD2 4.38Å
288R91.7Very high94Very high112 Ų11242.9 Ų42.942%0.42320%0.204SC..G310 helixtrans-70.2-26.1176.8-69.5-179.4173-167.5-6.8112.3E119 N286 A290 R295E119-R288 WeakPolarHBondContact OE2-CB 3.34Å; N286-R288 PolarHBondContact O-N 3.23Å; N286-R288 WeakPolarHBondContact OD1-CB 3.37Å; N286-R288 PolarHBondContact OD1-N 2.84Å; R288-A290 PolarHBondContact O-N 3.27Å; R288-R295 PolarHBondContact O-NH2 3.15Å
289A93.3Very high94.2Very high0 Ų044.6 Ų44.60%022%0.215CC..G310 helixtrans-77.48.3171.300000113.6E119 L122 N239 S240 N286 I287E119-A289 HydrophobicContact CB-CB 4.14Å; L122-A289 WeakPolarHBondContact CD1-O 3.37Å; N239-A289 VanDerWaalsContact ND2-C 3.26Å; N239-A289 PolarHBondContact ND2-O 3.44Å; S240-A289 WeakPolarHBondContact CA-O 3.37Å; N286-A289 HydrophobicContact CB-CB 4.15Å; N286-A289 WeakPolarHBondContact O-CA 3.32Å; N286-A289 WeakPolarHBondContact O-CB 3.47Å; N286-A289 PolarHBondContact O-N 3Å; I287-A289 VanDerWaalsContact C-N 3.27Å; I287-A289 PolarHBondContact O-N 3.24Å
290A93.3Very high94.3Very high7 Ų745 Ų456%0.05822%0.218CC..SBendtrans-108.1158168.800000111.5I287 R288 D294 R295 L303I287-A290 WeakPolarHBondContact O-CB 3.15Å; I287-A290 PolarHBondContact O-N 3.47Å; I287-A290 VanDerWaalsContact O-N 3.13Å; R288-A290 PolarHBondContact O-N 3.27Å; A290-D294 HydrophobicContact CB-CB 4.47Å; A290-R295 HydrophobicContact CB-CG 4.35Å; A290-R295 PolarHBondContact O-NE 3.36Å; A290-R295 PolarHBondContact O-NH2 3.38Å; A290-L303 HydrophobicContact CB-CD2 3.95Å
291W91.6Very high94.2Very high59 Ų5947 Ų4722%0.22324%0.239CC..  trans-60.6143.6174.2-168.3-94.5000110.1C243 R244 L247 T293 D294 R295C243-W291 PolarHBondContact SG-N 3.07Å; R244-W291 HydrophobicContact CG-CB 3.98Å; R244-W291 HydrophobicContact CG-CG 4.15Å; L247-W291 HydrophobicContact CD2-CH2 3.89Å; L247-W291 HydrophobicContact CD2-CZ3 4.23Å; W291-T293 PolarHBondContact O-N 3.25Å; W291-D294 WeakPolarHBondContact CB-OD2 3.39Å; W291-D294 WeakPolarHBondContact O-CA 3.34Å; W291-D294 PolarHBondContact O-N 2.75Å; W291-R295 WeakPolarHBondContact O-CG 3.3Å
292P90.7Very high94.1Very high81 Ų8150.4 Ų50.453%0.52625%0.252SS..G310 helixtrans-50-35.2-171.5-33.437.1000116.8D294P292-D294 VanDerWaalsContact C-N 3.31Å
293T90.6Very high94Very high77 Ų7751.1 Ų51.147%0.47226%0.256SS..G310 helixtrans-76.4-16.5177.8590000114R244 W291 R295R244-T293 PolarHBondContact NH2-OG1 3.12Å; W291-T293 PolarHBondContact O-N 3.25Å; T293-R295 VanDerWaalsContact C-N 3.3Å
294D90.1Very high93.9Very high50 Ų5051.3 Ų51.327%0.26726%0.257SS..G310 helixtrans-10325.8-174.3-47.5-17.8000109.4R244 A290 W291 P292 Y302R244-D294 VanDerWaalsContact CD-OD2 3.22Å; R244-D294 WeakPolarHBondContact CD-OD2 3.39Å; R244-D294 IonicContact NE-OD1 2.79Å; R244-D294 IonicContact NE-OD2 3.64Å; R244-D294 PolarHBondContact NE-OD2 2.6Å; A290-D294 HydrophobicContact CB-CB 4.47Å; W291-D294 WeakPolarHBondContact CB-OD2 3.39Å; W291-D294 WeakPolarHBondContact O-CA 3.34Å; W291-D294 PolarHBondContact O-N 2.75Å; P292-D294 VanDerWaalsContact C-N 3.31Å; D294-Y302 WeakPolarHBondContact O-CE1 3.35Å
295R92Very high93.7Very high105 Ų10552.8 Ų52.840%0.39627%0.272SS..  trans-104.343.4-176.6-63.4-169.2-178.5170.7-2.6111.6I287 R288 A290 W291 T293I287-R295 HydrophobicContact CD1-CB 4Å; I287-R295 WeakPolarHBondContact CD1-O 3.38Å; I287-R295 HydrophobicContact CG1-CB 3.71Å; I287-R295 HydrophobicContact CG1-CG 3.99Å; I287-R295 WeakPolarHBondContact O-CD 3.33Å; I287-R295 WeakPolarHBondContact O-CG 3.37Å; I287-R295 PolarHBondContact O-NE 2.86Å; R288-R295 PolarHBondContact O-NH2 3.15Å; A290-R295 HydrophobicContact CB-CG 4.35Å; A290-R295 PolarHBondContact O-NE 3.36Å; A290-R295 PolarHBondContact O-NH2 3.38Å; W291-R295 WeakPolarHBondContact O-CG 3.3Å; T293-R295 VanDerWaalsContact C-N 3.3Å
296E91.6Very high93.6Very high143 Ų14359.9 Ų59.967%0.66830%0.302SS*.SBendtrans-97.2-37.3-176.2-55.9177.3164.100112.5Y302E296-Y302 HydrophobicContact CB-CE1 4.25Å; E296-Y302 WeakPolarHBondContact CB-OH 3.25Å; E296-Y302 WeakPolarHBondContact CG-OH 3.31Å; E296-Y302 PolarHBondContact OE2-OH 3.18Å
297Q93.8Very high93.6Very high95 Ų9562 Ų6244%0.44432%0.32SS..  trans-130.1149.7-179-51.8-177.423.600111.1Y302 L303Q297-Y302 HydrophobicContact CB-CD1 3.76Å; Q297-Y302 HydrophobicContact CB-CD2 4.11Å; Q297-Y302 HydrophobicContact CB-CE1 4.31Å; Q297-Y302 HydrophobicContact CB-CG 3.65Å; Q297-Y302 HydrophobicContact CG-CD1 4.38Å; Q297-Y302 HydrophobicContact CG-CD2 3.99Å; Q297-Y302 HydrophobicContact CG-CE2 4.23Å; Q297-Y302 HydrophobicContact CG-CG 4.08Å; Q297-L303 VanDerWaalsContact O-CD2 3.25Å; Q297-L303 WeakPolarHBondContact O-CD2 3.34Å; Q297-L303 VanDerWaalsContact O-CG 3.32Å; Q297-L303 WeakPolarHBondContact O-CG 3.42Å
298Y93.8Very high93.7Very high79 Ų7960.5 Ų60.531%0.3131%0.312SS..  trans-100.21.9-179.562.2-93.2000113.5G88 Q89 L319G88-Y298 VanDerWaalsContact O-CB 3.29Å; G88-Y298 WeakPolarHBondContact O-CB 3.29Å; G88-Y298 WeakPolarHBondContact O-CD2 3.37Å; Q89-Y298 HydrophobicContact CB-CD1 4.5Å; Q89-Y298 HydrophobicContact CG-CD1 3.77Å; Q89-Y298 HydrophobicContact CG-CE1 3.39Å; Q89-Y298 HydrophobicContact CG-CE2 4.39Å; Q89-Y298 HydrophobicContact CG-CG 4.42Å; Y298-L319 HydrophobicContact CE2-CD1 4.37Å
299T95.6Very high93.9Very high51 Ų5158.9 Ų58.931%0.31331%0.308SS..SBendtrans-73.9145.2-176.561.10000110.5G301 Y302 L303T299-G301 VanDerWaalsContact C-N 3.26Å; T299-G301 PolarHBondContact O-N 3.43Å; T299-Y302 PolarHBondContact O-N 3.16Å; T299-Y302 VanDerWaalsContact O-N 3.12Å; T299-Y302 WeakPolarHBondContact OG1-CB 3.05Å; T299-L303 PolarHBondContact O-N 2.86Å
300P95.9Very high94.1Very high10 Ų1064.7 Ų64.77%0.06534%0.335CS..Hα-helixtrans-57.2-38.5178.9-28.435.8000113.6V85 H87 T285 Y302 L304 F315V85-P300 HydrophobicContact CG1-CB 4.16Å; V85-P300 HydrophobicContact CG1-CG 3.97Å; H87-P300 HydrophobicContact CB-CG 3.77Å; H87-P300 VanDerWaalsContact CG-CD 3.48Å; T285-P300 HydrophobicContact CG2-CB 4.33Å; P300-Y302 VanDerWaalsContact C-N 3.28Å; P300-Y302 PolarHBondContact O-N 3.44Å; P300-L304 HydrophobicContact CB-CD1 4.12Å; P300-L304 WeakPolarHBondContact O-CB 3.41Å; P300-L304 VanDerWaalsContact O-CG 3.29Å; P300-L304 WeakPolarHBondContact O-CG 3.47Å; P300-L304 PolarHBondContact O-N 3.09Å; P300-F315 HydrophobicContact CB-CE2 4.28Å; P300-F315 HydrophobicContact CB-CZ 4.01Å
301G95Very high94.2Very high43 Ų4367.6 Ų67.644%0.44335%0.345SS..Hα-helixtrans-60.8-34.917800000113.6T299T299-G301 VanDerWaalsContact C-N 3.26Å; T299-G301 PolarHBondContact O-N 3.43Å
302Y95.7Very high94.4Very high70 Ų7064.8 Ų64.828%0.27533%0.334SS..Hα-helixtrans-80.3-53.2176.2-173.3-88.8000111.2D294 E296 Q297 T299 P300 L304 G305D294-Y302 WeakPolarHBondContact O-CE1 3.35Å; E296-Y302 HydrophobicContact CB-CE1 4.25Å; E296-Y302 WeakPolarHBondContact CB-OH 3.25Å; E296-Y302 WeakPolarHBondContact CG-OH 3.31Å; E296-Y302 PolarHBondContact OE2-OH 3.18Å; Q297-Y302 HydrophobicContact CB-CD1 3.76Å; Q297-Y302 HydrophobicContact CB-CD2 4.11Å; Q297-Y302 HydrophobicContact CB-CE1 4.31Å; Q297-Y302 HydrophobicContact CB-CG 3.65Å; Q297-Y302 HydrophobicContact CG-CD1 4.38Å; Q297-Y302 HydrophobicContact CG-CD2 3.99Å; Q297-Y302 HydrophobicContact CG-CE2 4.23Å; Q297-Y302 HydrophobicContact CG-CG 4.08Å; T299-Y302 PolarHBondContact O-N 3.16Å; T299-Y302 VanDerWaalsContact O-N 3.12Å; T299-Y302 WeakPolarHBondContact OG1-CB 3.05Å; P300-Y302 VanDerWaalsContact C-N 3.28Å; P300-Y302 PolarHBondContact O-N 3.44Å; Y302-L304 PolarHBondContact O-N 3.36Å; Y302-G305 PolarHBondContact O-N 3.25Å; Y302-G305 VanDerWaalsContact O-N 3.17Å
303L96.2Very high94.6Very high16 Ų1665.4 Ų65.48%0.08433%0.334CS..Hα-helixtrans-68.6-34.3-172.1-72.8-178.9000114.2N239 T285 I287 A290 Q297 T299 G305N239-L303 HydrophobicContact CB-CB 4.14Å; N239-L303 WeakPolarHBondContact CB-O 3.23Å; T285-L303 HydrophobicContact CG2-CB 4.48Å; I287-L303 HydrophobicContact CG1-CD2 4.38Å; A290-L303 HydrophobicContact CB-CD2 3.95Å; Q297-L303 VanDerWaalsContact O-CD2 3.25Å; Q297-L303 WeakPolarHBondContact O-CD2 3.34Å; Q297-L303 VanDerWaalsContact O-CG 3.32Å; Q297-L303 WeakPolarHBondContact O-CG 3.42Å; T299-L303 PolarHBondContact O-N 2.86Å; L303-G305 VanDerWaalsContact C-N 3.26Å
304L96.3Very high94.8Very high4 Ų466.5 Ų66.52%0.02134%0.342CS..THydrogen-bonded Turntrans-76.2-18.2177-66170.4000112.4V238 N239 W242 T285 P300 Y302 G308 F309 M312V238-L304 HydrophobicContact CG1-CD2 3.97Å; N239-L304 HydrophobicContact CB-CD2 4.07Å; W242-L304 HydrophobicContact CE3-CD2 4.03Å; W242-L304 HydrophobicContact CZ3-CD2 3.89Å; T285-L304 HydrophobicContact CG2-CD2 4.25Å; T285-L304 HydrophobicContact CG2-CG 4.15Å; P300-L304 HydrophobicContact CB-CD1 4.12Å; P300-L304 WeakPolarHBondContact O-CB 3.41Å; P300-L304 VanDerWaalsContact O-CG 3.29Å; P300-L304 WeakPolarHBondContact O-CG 3.47Å; P300-L304 PolarHBondContact O-N 3.09Å; Y302-L304 PolarHBondContact O-N 3.36Å; L304-G308 WeakPolarHBondContact O-CA 3.46Å; L304-G308 PolarHBondContact O-N 3.44Å; L304-F309 HydrophobicContact CB-CB 4.36Å; L304-F309 HydrophobicContact CD1-CD2 4.45Å; L304-M312 HydrophobicContact CD1-CG 4.44Å
305G94.5Very high95.1Very high30 Ų3065.9 Ų65.931%0.30934%0.337SS..Hα-helixtrans56.9-174.8-165.600000112.5Y302 L303 F309Y302-G305 PolarHBondContact O-N 3.25Å; Y302-G305 VanDerWaalsContact O-N 3.17Å; L303-G305 VanDerWaalsContact C-N 3.26Å; G305-F309 WeakPolarHBondContact O-CB 3.45Å; G305-F309 PolarHBondContact O-N 2.89Å
306K95.4Very high95.3Very high157 Ų15764.2 Ų64.268%0.68334%0.335SS*.Hα-helixtrans-59.4-52.8-179.1-176.4178.3176.6-178.80112.2G308 F309 E310K306-G308 PolarHBondContact O-N 2.82Å; K306-F309 PolarHBondContact O-N 3.25Å; K306-E310 WeakPolarHBondContact CE-OE1 3.37Å; K306-E310 HydrophobicContact CG-CG 4.46Å; K306-E310 WeakPolarHBondContact CG-OE1 3.38Å; K306-E310 IonicContact NZ-OE1 3.24Å; K306-E310 WeakPolarHBondContact O-CB 3.43Å; K306-E310 WeakPolarHBondContact O-CG 3.33Å; K306-E310 PolarHBondContact O-N 2.72Å
307S94.4Very high95.5Very high82 Ų8261.1 Ų61.157%0.57333%0.328SS*.Hα-helixtrans-64.6-39.8-174.4-50.60000112.9Y311S307-Y311 WeakPolarHBondContact O-CB 3.44Å; S307-Y311 PolarHBondContact O-N 2.93Å
308G96.6Very high95.7Very high0 Ų057.5 Ų57.50%031%0.312CS..Hα-helixtrans-73-37.817800000112.4W242 L304 K306 Y311 M312W242-G308 VanDerWaalsContact CE2-CA 3.45Å; L304-G308 WeakPolarHBondContact O-CA 3.46Å; L304-G308 PolarHBondContact O-N 3.44Å; K306-G308 PolarHBondContact O-N 2.82Å; G308-Y311 PolarHBondContact O-N 2.97Å; G308-M312 WeakPolarHBondContact O-CB 3.16Å; G308-M312 VanDerWaalsContact O-CG 3.3Å; G308-M312 WeakPolarHBondContact O-CG 3.38Å; G308-M312 PolarHBondContact O-N 3.17Å
309F96.7Very high95.9Very high78 Ų7857.2 Ų57.234%0.34232%0.315SS..Hα-helixtrans-64.2-50.3177.1-167.8-85.2000111.2L304 G305 K306 Y311 M312 D313 F315L304-F309 HydrophobicContact CB-CB 4.36Å; L304-F309 HydrophobicContact CD1-CD2 4.45Å; G305-F309 WeakPolarHBondContact O-CB 3.45Å; G305-F309 PolarHBondContact O-N 2.89Å; K306-F309 PolarHBondContact O-N 3.25Å; F309-Y311 PolarHBondContact O-N 3.12Å; F309-M312 PolarHBondContact O-N 3.18Å; F309-D313 WeakPolarHBondContact O-CB 3.44Å; F309-D313 PolarHBondContact O-N 3.21Å; F309-F315 HydrophobicContact CD2-CE1 4.03Å; F309-F315 HydrophobicContact CD2-CZ 4.22Å; F309-F315 AromaticContact CE2-CE1 3.71Å; F309-F315 HydrophobicContact CE2-CE1 3.71Å; F309-F315 AromaticContact CE2-CZ 3.69Å; F309-F315 HydrophobicContact CE2-CZ 3.69Å; F309-F315 HydrophobicContact CZ-CE1 4.07Å; F309-F315 HydrophobicContact CZ-CZ 4.29Å
310E96.7Very high96Very high121 Ų12154.9 Ų54.957%0.56530%0.301SS*.Hα-helixtrans-59.4-33.3176.4-72.5175.317900112.4K306K306-E310 WeakPolarHBondContact CE-OE1 3.37Å; K306-E310 HydrophobicContact CG-CG 4.46Å; K306-E310 WeakPolarHBondContact CG-OE1 3.38Å; K306-E310 IonicContact NZ-OE1 3.24Å; K306-E310 WeakPolarHBondContact O-CB 3.43Å; K306-E310 WeakPolarHBondContact O-CG 3.33Å; K306-E310 PolarHBondContact O-N 2.72Å
311Y95.6Very high96Very high68 Ų6860.4 Ų60.427%0.26733%0.326SS..Hα-helixtrans-72.4-39.1177.9-161.3-83.6000113.1W242 K269 L272 R273 S307 G308 F309W242-Y311 HydrophobicContact CH2-CD1 4.2Å; W242-Y311 AromaticContact CZ2-CD1 3.67Å; W242-Y311 HydrophobicContact CZ2-CD1 3.67Å; W242-Y311 HydrophobicContact CZ2-CD2 4.47Å; W242-Y311 HydrophobicContact CZ2-CE1 4.49Å; W242-Y311 AromaticContact CZ2-CG 3.67Å; W242-Y311 HydrophobicContact CZ2-CG 3.67Å; K269-Y311 HydrophobicContact CB-CE1 4.38Å; K269-Y311 VanDerWaalsContact O-CE1 3.31Å; K269-Y311 WeakPolarHBondContact O-CE1 3.31Å; K269-Y311 PolarHBondContact O-OH 3.27Å; L272-Y311 HydrophobicContact CB-CD1 4.48Å; L272-Y311 HydrophobicContact CB-CE1 4.01Å; R273-Y311 HydrophobicContact CG-CE1 4.42Å; R273-Y311 WeakPolarHBondContact CG-OH 3.47Å; R273-Y311 PolarHBondContact NE-OH 3.3Å; S307-Y311 WeakPolarHBondContact O-CB 3.44Å; S307-Y311 PolarHBondContact O-N 2.93Å; G308-Y311 PolarHBondContact O-N 2.97Å; F309-Y311 PolarHBondContact O-N 3.12Å
312M96Very high96.1Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-82.6-20.2-177.1-69.2-65.2-72.100112.5R83 V85 W242 L272 T283 L304 G308 F309 P314 F315R83-M312 PolarHBondContact NE-O 2.63Å; R83-M312 PolarHBondContact NH2-O 2.96Å; V85-M312 HydrophobicContact CG2-CE 4.05Å; W242-M312 HydrophobicContact CH2-CG 3.79Å; W242-M312 HydrophobicContact CH2-SD 3.94Å; W242-M312 HydrophobicContact CZ3-CG 4.19Å; L272-M312 HydrophobicContact CB-SD 4.22Å; L272-M312 HydrophobicContact CD1-SD 4.01Å; L272-M312 HydrophobicContact CD2-CE 4.12Å; L272-M312 HydrophobicContact CD2-SD 4.01Å; L272-M312 HydrophobicContact CG-SD 4.31Å; T283-M312 HydrophobicContact CG2-CE 4.01Å; L304-M312 HydrophobicContact CD1-CG 4.44Å; G308-M312 WeakPolarHBondContact O-CB 3.16Å; G308-M312 VanDerWaalsContact O-CG 3.3Å; G308-M312 WeakPolarHBondContact O-CG 3.38Å; G308-M312 PolarHBondContact O-N 3.17Å; F309-M312 PolarHBondContact O-N 3.18Å; M312-P314 CarbonylContact O-C 3.51Å; M312-F315 HydrophobicContact CB-CD1 4.01Å
313D93.9Very high96.2Very high95 Ų9558.2 Ų58.251%0.50831%0.306SS..  trans-66132.9179.5-164.638.8000111.7R83 F309R83-D313 PolarHBondContact NH2-O 3.34Å; F309-D313 WeakPolarHBondContact O-CB 3.44Å; F309-D313 PolarHBondContact O-N 3.21Å
314P94.7Very high96.2Very high99 Ų9960.3 Ų60.364%0.64332%0.32SS*.SBendcis-76.7145.7-8.132.5-35.6000113.4R83 M312R83-P314 PolarHBondContact NE-O 3Å; R83-P314 PolarHBondContact NH2-O 3.11Å; M312-P314 CarbonylContact O-C 3.51Å
315F96.1Very high96.1Very high37 Ų3763.8 Ų63.816%0.16234%0.343CS..  trans-141.6161.7170.268.4-92.8000112R83 V85 P300 F309 M312 P317R83-F315 HydrophobicContact CB-CB 3.89Å; R83-F315 CarbonylContact O-C 3.47Å; R83-F315 VanDerWaalsContact O-CA 3.29Å; R83-F315 WeakPolarHBondContact O-CA 3.29Å; R83-F315 WeakPolarHBondContact O-CB 3.48Å; V85-F315 HydrophobicContact CB-CD2 3.56Å; V85-F315 HydrophobicContact CB-CE2 3.78Å; V85-F315 HydrophobicContact CB-CG 4.36Å; V85-F315 HydrophobicContact CG1-CE2 4.36Å; V85-F315 HydrophobicContact CG2-CB 3.87Å; V85-F315 HydrophobicContact CG2-CD1 4.31Å; V85-F315 HydrophobicContact CG2-CD2 3.26Å; V85-F315 HydrophobicContact CG2-CE2 3.79Å; V85-F315 HydrophobicContact CG2-CG 3.56Å; V85-F315 HydrophobicContact CG2-CZ 4.5Å; P300-F315 HydrophobicContact CB-CE2 4.28Å; P300-F315 HydrophobicContact CB-CZ 4.01Å; F309-F315 HydrophobicContact CD2-CE1 4.03Å; F309-F315 HydrophobicContact CD2-CZ 4.22Å; F309-F315 AromaticContact CE2-CE1 3.71Å; F309-F315 HydrophobicContact CE2-CE1 3.71Å; F309-F315 AromaticContact CE2-CZ 3.69Å; F309-F315 HydrophobicContact CE2-CZ 3.69Å; F309-F315 HydrophobicContact CZ-CE1 4.07Å; F309-F315 HydrophobicContact CZ-CZ 4.29Å; M312-F315 HydrophobicContact CB-CD1 4.01Å; F315-P317 HydrophobicContact CD2-CB 4.5Å; F315-P317 HydrophobicContact CE2-CB 4.05Å; F315-P317 WeakPolarHBondContact O-CD 3.29Å
316I96.7Very high96.1Very high70 Ų7066.8 Ų66.836%0.35936%0.355SS..EExtended strand (participates in β ladder)trans-97.6108176.6-57.8166.1000107.9P82 R83 F84 V85 V318P82-I316 HydrophobicContact CB-CD1 4.26Å; R83-I316 PolarHBondContact O-N 2.83Å; F84-I316 WeakPolarHBondContact CA-O 3.25Å; F84-I316 HydrophobicContact CD1-CB 3.81Å; F84-I316 HydrophobicContact CD1-CD1 4.11Å; F84-I316 HydrophobicContact CD1-CG2 3.85Å; F84-I316 HydrophobicContact CE1-CB 4.08Å; F84-I316 HydrophobicContact CE1-CD1 3.6Å; F84-I316 HydrophobicContact CE1-CG1 4.45Å; F84-I316 HydrophobicContact CE1-CG2 3.93Å; F84-I316 HydrophobicContact CE2-CD1 4.33Å; F84-I316 HydrophobicContact CG-CB 4.46Å; F84-I316 HydrophobicContact CZ-CD1 3.73Å; V85-I316 PolarHBondContact N-O 3.09Å; I316-V318 HydrophobicContact CG2-CG2 4.49Å
317P97Very high96.2Very high79 Ų7959.5 Ų59.551%0.51332%0.324SS..EExtended strand (participates in β ladder)trans-71.5134.9174.928.4-32.9000110.4F315F315-P317 HydrophobicContact CD2-CB 4.5Å; F315-P317 HydrophobicContact CE2-CB 4.05Å; F315-P317 WeakPolarHBondContact O-CD 3.29Å
318V97.9Very high96.3Very high18 Ų1855.6 Ų55.611%0.10930%0.297CS..EExtended strand (participates in β ladder)trans-124.1105175.6-177.90000108.8P45 M49 F84 V85 L86 H87 I316 A320P45-V318 HydrophobicContact CB-CG1 3.94Å; M49-V318 HydrophobicContact CG-CG1 4.03Å; M49-V318 HydrophobicContact CG-CG2 4.04Å; M49-V318 HydrophobicContact SD-CB 4.26Å; M49-V318 HydrophobicContact SD-CG1 3.87Å; M49-V318 HydrophobicContact SD-CG2 4.02Å; F84-V318 HydrophobicContact CD1-CG2 3.94Å; V85-V318 PolarHBondContact O-N 2.95Å; L86-V318 CarbonylContact C-O 3.49Å; L86-V318 VanDerWaalsContact CA-O 3.28Å; L86-V318 WeakPolarHBondContact CA-O 3.32Å; L86-V318 HydrophobicContact CD2-CG1 4.46Å; L86-V318 HydrophobicContact CG-CB 4.15Å; L86-V318 HydrophobicContact CG-CG1 4.35Å; H87-V318 PolarHBondContact N-O 3.05Å; I316-V318 HydrophobicContact CG2-CG2 4.49Å; V318-A320 PolarHBondContact O-N 2.85Å
319L97.6Very high96.2Very high74 Ų7458.3 Ų58.339%0.38731%0.311SS..EExtended strand (participates in β ladder)trans-77.2123.4177.4-179.565.4000110.5H87 Y298 E321H87-L319 CarbonylContact O-C 3.54Å; H87-L319 WeakPolarHBondContact O-CA 3.32Å; Y298-L319 HydrophobicContact CE2-CD1 4.37Å; L319-E321 HydrophobicContact CD2-CG 3.63Å; L319-E321 HydrophobicContact CG-CG 3.74Å
320A97.1Very high96.1Very high1 Ų155.4 Ų55.41%0.00830%0.301CS..  trans-95.5104.9164.900000108.6H87 G88 T92 V94 I97 V318H87-A320 PolarHBondContact O-N 2.96Å; G88-A320 WeakPolarHBondContact CA-O 3.49Å; T92-A320 WeakPolarHBondContact CB-O 3.46Å; T92-A320 WeakPolarHBondContact CG2-O 3.46Å; V94-A320 HydrophobicContact CG2-CB 3.63Å; I97-A320 HydrophobicContact CD1-CB 3.87Å; V318-A320 PolarHBondContact O-N 2.85Å
321E96.4Very high96.1Very high127 Ų12750.1 Ų50.159%0.59328%0.277SS*.PPolyproline II helixtrans-82.7168.8178.6-61.3-178.99900111.2R43 L319R43-E321 VanDerWaalsContact CZ-O 3.24Å; R43-E321 PolarHBondContact NH1-O 3.45Å; R43-E321 PolarHBondContact NH2-O 2.95Å; L319-E321 HydrophobicContact CD2-CG 3.63Å; L319-E321 HydrophobicContact CG-CG 3.74Å
322N97.4Very high96Very high33 Ų3347 Ų4718%0.17626%0.264CS..SBendtrans-59.1168.8164.3-74.5-8.8000110.6R43 Q89 T92 D360 Y361 N362R43-N322 PolarHBondContact NH2-O 2.82Å; Q89-N322 PolarHBondContact OE1-ND2 2.71Å; T92-N322 VanDerWaalsContact CG2-OD1 3.31Å; T92-N322 WeakPolarHBondContact CG2-OD1 3.4Å; N322-D360 PolarHBondContact ND2-O 3.2Å; N322-Y361 WeakPolarHBondContact CB-O 3.25Å; N322-N362 PolarHBondContact OD1-ND2 3.01Å
323Y97.4Very high95.9Very high33 Ų3354.9 Ų54.913%0.12929%0.294CS..PPolyproline II helixtrans-61.2141.6-179.2-71.7-43.7000112.1L41 E327 I328 L331 Y361 P363 L366L41-Y323 HydrophobicContact CD2-CD1 4.02Å; L41-Y323 HydrophobicContact CD2-CE1 3.54Å; Y323-E327 WeakPolarHBondContact CA-OE2 3.35Å; Y323-E327 HydrophobicContact CD1-CB 3.77Å; Y323-E327 HydrophobicContact CG-CB 4.13Å; Y323-I328 HydrophobicContact CD2-CB 4.49Å; Y323-L331 HydrophobicContact CD2-CD2 4.3Å; Y323-L331 HydrophobicContact CE2-CD2 3.35Å; Y323-Y361 PolarHBondContact N-O 2.97Å; Y323-Y361 WeakPolarHBondContact O-CB 3.39Å; Y323-Y361 WeakPolarHBondContact O-CD1 3.29Å; Y323-P363 HydrophobicContact CD1-CG 4.13Å; Y323-P363 HydrophobicContact CD2-CB 4.25Å; Y323-P363 HydrophobicContact CD2-CG 3.91Å; Y323-P363 HydrophobicContact CE1-CB 4.25Å; Y323-P363 HydrophobicContact CE1-CG 3.78Å; Y323-P363 VanDerWaalsContact CE2-CA 3.48Å; Y323-P363 HydrophobicContact CE2-CB 3.48Å; Y323-P363 VanDerWaalsContact CE2-CB 3.48Å; Y323-P363 HydrophobicContact CE2-CG 3.57Å; Y323-P363 HydrophobicContact CG-CG 4.19Å; Y323-P363 VanDerWaalsContact CZ-CB 3.49Å; Y323-P363 WeakPolarHBondContact OH-CB 3.22Å; Y323-L366 HydrophobicContact CD2-CD2 4.39Å; Y323-L366 HydrophobicContact CE2-CD2 4.41Å
324T96.1Very high96Very high61 Ų6150.8 Ų50.837%0.37427%0.272SS..PPolyproline II helixtrans-71.7161.8164.1660000110.5T326 E327 I328T324-T326 PolarHBondContact O-N 3.26Å; T324-T326 VanDerWaalsContact O-N 3.09Å; T324-E327 PolarHBondContact N-OE2 3.3Å; T324-E327 PolarHBondContact O-N 3.5Å; T324-E327 WeakPolarHBondContact OG1-CG 3.45Å; T324-E327 PolarHBondContact OG1-N 2.92Å; T324-I328 PolarHBondContact O-N 3.38Å
325P94.8Very high96.1Very high76 Ų7646.4 Ų46.449%0.49424%0.243SC..Hα-helixtrans-53.2-31.6172.3-29.136.2000113.9N329 Y361P325-N329 WeakPolarHBondContact O-CB 3.5Å; P325-N329 VanDerWaalsContact O-CG 3.28Å; P325-N329 PolarHBondContact O-N 3.44Å; P325-N329 PolarHBondContact O-ND2 3.05Å; P325-Y361 HydrophobicContact CG-CE1 4.13Å
326T94.3Very high95.9Very high94 Ų9446.1 Ų46.158%0.57725%0.247SC*.Hα-helixtrans-72.8-43.1176-56.60000111.8T324 A330T324-T326 PolarHBondContact O-N 3.26Å; T324-T326 VanDerWaalsContact O-N 3.09Å; T326-A330 WeakPolarHBondContact O-CB 3.25Å; T326-A330 PolarHBondContact O-N 3.19Å; T326-A330 VanDerWaalsContact O-N 3.11Å
327E96.7Very high95.8Very high3 Ų349.9 Ų49.91%0.01426%0.263CS..Hα-helixtrans-65.2-46.3179.9-74.9175152.600111.9L41 R43 Y323 T324 N329 A330 L331L41-E327 HydrophobicContact CD2-CB 3.81Å; L41-E327 HydrophobicContact CD2-CG 3.98Å; R43-E327 IonicContact CZ-OE2 3.05Å; R43-E327 IonicContact NE-OE1 3.69Å; R43-E327 PolarHBondContact NE-OE1 3.2Å; R43-E327 IonicContact NE-OE2 3.73Å; R43-E327 PolarHBondContact NE-OE2 3.02Å; R43-E327 IonicContact NH2-OE1 3.44Å; R43-E327 IonicContact NH2-OE2 3.05Å; R43-E327 PolarHBondContact NH2-OE2 3.21Å; Y323-E327 WeakPolarHBondContact CA-OE2 3.35Å; Y323-E327 HydrophobicContact CD1-CB 3.77Å; Y323-E327 HydrophobicContact CG-CB 4.13Å; T324-E327 PolarHBondContact N-OE2 3.3Å; T324-E327 PolarHBondContact O-N 3.5Å; T324-E327 WeakPolarHBondContact OG1-CG 3.45Å; T324-E327 PolarHBondContact OG1-N 2.92Å; E327-N329 PolarHBondContact O-N 3.27Å; E327-A330 WeakPolarHBondContact O-CB 3.46Å; E327-A330 PolarHBondContact O-N 2.85Å; E327-L331 PolarHBondContact O-N 2.89Å
328I96Very high95.7Very high1 Ų147.9 Ų47.91%0.00525%0.248CC..Hα-helixtrans-66.3-40.5-178.8-168.5154.5000112.1Y323 T324 A330 L331 L332 I356 Y361 L366Y323-I328 HydrophobicContact CD2-CB 4.49Å; T324-I328 PolarHBondContact O-N 3.38Å; I328-A330 VanDerWaalsContact C-N 3.31Å; I328-A330 PolarHBondContact O-N 3.16Å; I328-L331 PolarHBondContact O-N 3.11Å; I328-L332 WeakPolarHBondContact O-CG 3.41Å; I328-L332 PolarHBondContact O-N 3.13Å; I328-I356 HydrophobicContact CD1-CB 4.3Å; I328-I356 HydrophobicContact CD1-CG1 3.74Å; I328-I356 HydrophobicContact CD1-CG2 4.29Å; I328-I356 HydrophobicContact CG1-CG1 4.02Å; I328-I356 HydrophobicContact CG2-CD1 4.43Å; I328-I356 HydrophobicContact CG2-CG1 4.4Å; I328-Y361 HydrophobicContact CB-CD1 4.24Å; I328-Y361 HydrophobicContact CD1-CD1 4.01Å; I328-Y361 HydrophobicContact CD1-CG 4.33Å; I328-Y361 HydrophobicContact CG2-CD1 3.83Å; I328-Y361 HydrophobicContact CG2-CE1 3.76Å; I328-L366 HydrophobicContact CD1-CD2 3.78Å; I328-L366 HydrophobicContact CG1-CD2 3.65Å
329N94.5Very high95.5Very high57 Ų5753.2 Ų53.231%0.30528%0.276SS..Hα-helixtrans-65.8-35.3176.2-78.4-44.4000112P325 E327 R333P325-N329 WeakPolarHBondContact O-CB 3.5Å; P325-N329 VanDerWaalsContact O-CG 3.28Å; P325-N329 PolarHBondContact O-N 3.44Å; P325-N329 PolarHBondContact O-ND2 3.05Å; E327-N329 PolarHBondContact O-N 3.27Å; N329-R333 WeakPolarHBondContact O-CG 3.46Å; N329-R333 PolarHBondContact O-N 3.21Å
330A95.3Very high95.3Very high16 Ų1652.8 Ų52.813%0.13227%0.269CS..Hα-helixtrans-65.5-40.7173.700000111.4G6 F8 L41 T326 E327 I328 R333 F334G6-A330 WeakPolarHBondContact O-CB 3.27Å; F8-A330 HydrophobicContact CE2-CB 4.27Å; L41-A330 HydrophobicContact CD1-CB 4.32Å; T326-A330 WeakPolarHBondContact O-CB 3.25Å; T326-A330 PolarHBondContact O-N 3.19Å; T326-A330 VanDerWaalsContact O-N 3.11Å; E327-A330 WeakPolarHBondContact O-CB 3.46Å; E327-A330 PolarHBondContact O-N 2.85Å; I328-A330 VanDerWaalsContact C-N 3.31Å; I328-A330 PolarHBondContact O-N 3.16Å; A330-R333 PolarHBondContact O-N 3.42Å; A330-F334 PolarHBondContact O-N 3.46Å
331L95.7Very high95.1Very high10 Ų1053 Ų535%0.05227%0.271CS..Hα-helixtrans-68.7-41.5178.2-175.963000113F8 Y323 E327 I328 R333 F334 Y335 L366F8-L331 HydrophobicContact CE1-CD1 4.13Å; F8-L331 HydrophobicContact CZ-CB 4.36Å; F8-L331 HydrophobicContact CZ-CD1 3.72Å; Y323-L331 HydrophobicContact CD2-CD2 4.3Å; Y323-L331 HydrophobicContact CE2-CD2 3.35Å; E327-L331 PolarHBondContact O-N 2.89Å; I328-L331 PolarHBondContact O-N 3.11Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 2.98Å; L331-F334 HydrophobicContact CD1-CD1 4.1Å; L331-F334 WeakPolarHBondContact O-CB 3.42Å; L331-F334 PolarHBondContact O-N 3.06Å; L331-F334 VanDerWaalsContact O-N 3.11Å; L331-Y335 HydrophobicContact CD1-CD1 4.47Å; L331-Y335 HydrophobicContact CD1-CE1 3.97Å; L331-Y335 HydrophobicContact CD1-CE2 4.18Å; L331-Y335 HydrophobicContact CD2-CE2 4.13Å; L331-Y335 HydrophobicContact CG-CD2 4.24Å; L331-Y335 HydrophobicContact CG-CE1 4.5Å; L331-Y335 HydrophobicContact CG-CE2 3.81Å; L331-Y335 PolarHBondContact O-N 2.94Å; L331-L366 HydrophobicContact CD2-CD2 3.78Å; L331-L366 HydrophobicContact CG-CD2 4.47Å
332L95.1Very high94.9Very high2 Ų252.2 Ų52.21%0.0128%0.275CS..Hα-helixtrans-60.1-37.4173.9-71.8174.4000112I328 Y335 A336 Q352 L355 I356 L366I328-L332 WeakPolarHBondContact O-CG 3.41Å; I328-L332 PolarHBondContact O-N 3.13Å; L332-Y335 PolarHBondContact O-N 3.14Å; L332-A336 WeakPolarHBondContact O-CB 3.22Å; L332-A336 PolarHBondContact O-N 3.35Å; L332-Q352 HydrophobicContact CD1-CB 4.29Å; L332-Q352 HydrophobicContact CD1-CG 4.3Å; L332-L355 HydrophobicContact CD2-CD1 3.9Å; L332-I356 HydrophobicContact CD1-CD1 4.08Å; L332-I356 HydrophobicContact CD1-CG1 4.1Å; L332-L366 HydrophobicContact CD2-CD1 4.18Å
333R94Very high94.7Very high167 Ų16754 Ų5463%0.6328%0.284SS*.Hα-helixtrans-66-43172.5-71.5173.8-169.9165.23.6112N329 A330 L331 Y335 A336 E337N329-R333 WeakPolarHBondContact O-CG 3.46Å; N329-R333 PolarHBondContact O-N 3.21Å; A330-R333 PolarHBondContact O-N 3.42Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 2.98Å; R333-Y335 VanDerWaalsContact C-N 3.3Å; R333-Y335 PolarHBondContact O-N 2.82Å; R333-A336 WeakPolarHBondContact O-CB 3.43Å; R333-A336 PolarHBondContact O-N 3.09Å; R333-A336 VanDerWaalsContact O-N 3.16Å; R333-E337 WeakPolarHBondContact O-CB 3.49Å; R333-E337 WeakPolarHBondContact O-CG 3.4Å; R333-E337 PolarHBondContact O-N 3.38Å
334F95.5Very high94.4Very high9 Ų957.3 Ų57.34%0.03931%0.309CS..Hα-helixtrans-59.2-41.6175.4178.9-103.1000111.9F8 L32 F35 D37 A330 L331 E337 N338F8-F334 HydrophobicContact CD1-CD1 4.49Å; F8-F334 AromaticContact CD1-CD2 3.96Å; F8-F334 HydrophobicContact CD1-CD2 3.96Å; F8-F334 HydrophobicContact CD1-CE2 4.12Å; F8-F334 HydrophobicContact CD1-CG 4.15Å; F8-F334 HydrophobicContact CD1-CZ 4.46Å; F8-F334 HydrophobicContact CD2-CB 4.36Å; F8-F334 HydrophobicContact CD2-CD2 4.33Å; F8-F334 HydrophobicContact CD2-CG 4.49Å; F8-F334 HydrophobicContact CE1-CB 4.1Å; F8-F334 AromaticContact CE1-CD1 3.79Å; F8-F334 HydrophobicContact CE1-CD1 3.79Å; F8-F334 AromaticContact CE1-CD2 3.98Å; F8-F334 HydrophobicContact CE1-CD2 3.98Å; F8-F334 HydrophobicContact CE1-CE1 4.18Å; F8-F334 HydrophobicContact CE1-CE2 4.35Å; F8-F334 AromaticContact CE1-CG 3.67Å; F8-F334 HydrophobicContact CE1-CG 3.67Å; F8-F334 HydrophobicContact CE1-CZ 4.45Å; F8-F334 HydrophobicContact CE2-CB 3.66Å; F8-F334 HydrophobicContact CE2-CD2 4.35Å; F8-F334 HydrophobicContact CE2-CG 4.06Å; F8-F334 HydrophobicContact CG-CD2 4.15Å; F8-F334 HydrophobicContact CZ-CB 3.51Å; F8-F334 HydrophobicContact CZ-CD1 4.01Å; F8-F334 HydrophobicContact CZ-CD2 4.19Å; F8-F334 AromaticContact CZ-CG 3.64Å; F8-F334 HydrophobicContact CZ-CG 3.64Å; L32-F334 HydrophobicContact CD2-CE1 4.46Å; F35-F334 AromaticContact CD2-CE1 3.79Å; F35-F334 HydrophobicContact CD2-CE1 3.79Å; F35-F334 HydrophobicContact CD2-CZ 4.04Å; F35-F334 AromaticContact CE2-CE1 3.76Å; F35-F334 HydrophobicContact CE2-CE1 3.76Å; F35-F334 HydrophobicContact CE2-CZ 4.47Å; D37-F334 WeakPolarHBondContact OD2-CE2 3.36Å; A330-F334 PolarHBondContact O-N 3.46Å; L331-F334 HydrophobicContact CD1-CD1 4.1Å; L331-F334 WeakPolarHBondContact O-CB 3.42Å; L331-F334 PolarHBondContact O-N 3.06Å; L331-F334 VanDerWaalsContact O-N 3.11Å; F334-E337 PolarHBondContact O-N 2.9Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.17Å; F334-N338 PolarHBondContact O-N 3.45Å; F334-N338 VanDerWaalsContact O-N 3.16Å; F334-N338 PolarHBondContact O-ND2 3.37Å
335Y95.8Very high94.2Very high6 Ų656.2 Ų56.22%0.02431%0.307CS..Hα-helixtrans-65.5-39.9173.2-68.7-27000113.4E31 F35 L331 L332 R333 N338 N339 W340 L366 A370E31-Y335 WeakPolarHBondContact OE1-CE1 3.49Å; E31-Y335 PolarHBondContact OE1-OH 2.79Å; F35-Y335 HydrophobicContact CE2-CD1 4.19Å; F35-Y335 HydrophobicContact CE2-CE1 4.13Å; F35-Y335 HydrophobicContact CZ-CD1 4.03Å; F35-Y335 HydrophobicContact CZ-CE1 4.14Å; L331-Y335 HydrophobicContact CD1-CD1 4.47Å; L331-Y335 HydrophobicContact CD1-CE1 3.97Å; L331-Y335 HydrophobicContact CD1-CE2 4.18Å; L331-Y335 HydrophobicContact CD2-CE2 4.13Å; L331-Y335 HydrophobicContact CG-CD2 4.24Å; L331-Y335 HydrophobicContact CG-CE1 4.5Å; L331-Y335 HydrophobicContact CG-CE2 3.81Å; L331-Y335 PolarHBondContact O-N 2.94Å; L332-Y335 PolarHBondContact O-N 3.14Å; R333-Y335 VanDerWaalsContact C-N 3.3Å; R333-Y335 PolarHBondContact O-N 2.82Å; Y335-N338 PolarHBondContact O-N 3.48Å; Y335-N339 PolarHBondContact O-N 2.92Å; Y335-W340 HydrophobicContact CD1-CB 4.35Å; Y335-W340 AromaticContact CD1-CD1 3.9Å; Y335-W340 HydrophobicContact CD1-CG 4.41Å; Y335-W340 PolarHBondContact O-N 3.27Å; Y335-L366 HydrophobicContact CE2-CG 4.5Å; Y335-A370 HydrophobicContact CD2-CB 3.79Å; Y335-A370 HydrophobicContact CE2-CB 3.68Å
336A93.6Very high94Very high31 Ų3152.6 Ų52.626%0.25628%0.283SS..Hα-helixtrans-62.8-44174.200000112.4L332 R333 N338 N339 F347L332-A336 WeakPolarHBondContact O-CB 3.22Å; L332-A336 PolarHBondContact O-N 3.35Å; R333-A336 WeakPolarHBondContact O-CB 3.43Å; R333-A336 PolarHBondContact O-N 3.09Å; R333-A336 VanDerWaalsContact O-N 3.16Å; A336-N338 VanDerWaalsContact C-N 3.26Å; A336-N338 PolarHBondContact O-N 2.74Å; A336-N339 PolarHBondContact O-N 3Å; A336-N339 VanDerWaalsContact O-N 3.14Å; A336-F347 HydrophobicContact CB-CD1 4.26Å; A336-F347 HydrophobicContact CB-CE1 3.65Å
337E93.9Very high93.9Very high149 Ų14953 Ų5370%0.69628%0.277SS*.Hα-helixtrans-64-31.7179.4-74.1170.5-175.800112.4R333 F334R333-E337 WeakPolarHBondContact O-CB 3.49Å; R333-E337 WeakPolarHBondContact O-CG 3.4Å; R333-E337 PolarHBondContact O-N 3.38Å; F334-E337 PolarHBondContact O-N 2.9Å
338N94.5Very high93.8Very high37 Ų3755.6 Ų55.620%0.19829%0.294CS..THydrogen-bonded Turntrans-90.67.9176.7-71.8-71.2000114F35 F334 Y335 A336 W340F35-N338 HydrophobicContact CB-CB 4.3Å; F35-N338 HydrophobicContact CD1-CB 3.69Å; F35-N338 HydrophobicContact CD2-CB 4.28Å; F35-N338 HydrophobicContact CE1-CB 4.04Å; F35-N338 HydrophobicContact CG-CB 3.83Å; F35-N338 HydrophobicContact CZ-CB 4.49Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.17Å; F334-N338 PolarHBondContact O-N 3.45Å; F334-N338 VanDerWaalsContact O-N 3.16Å; F334-N338 PolarHBondContact O-ND2 3.37Å; Y335-N338 PolarHBondContact O-N 3.48Å; A336-N338 VanDerWaalsContact C-N 3.26Å; A336-N338 PolarHBondContact O-N 2.74Å; N338-W340 PolarHBondContact O-N 3.38Å
339N92.9Very high93.7Very high131 Ų13160.8 Ų60.870%0.70133%0.327SS*.THydrogen-bonded Turntrans52.632.2-175.9-53.2-69.3000113.6Y335 A336Y335-N339 PolarHBondContact O-N 2.92Å; A336-N339 PolarHBondContact O-N 3Å; A336-N339 VanDerWaalsContact O-N 3.14Å
340W95Very high93.7Very high64 Ų6464.4 Ų64.424%0.24235%0.347CS..  trans-76.1-36.8179.9-166.9-125.5000111.9E31 T34 F35 Y335 N338 T342 A371E31-W340 HydrophobicContact CG-CZ2 4.26Å; T34-W340 HydrophobicContact CG2-CZ3 4.09Å; F35-W340 HydrophobicContact CD1-CE3 4.4Å; F35-W340 HydrophobicContact CE1-CB 3.66Å; F35-W340 AromaticContact CE1-CD2 3.46Å; F35-W340 HydrophobicContact CE1-CD2 3.46Å; F35-W340 VanDerWaalsContact CE1-CD2 3.46Å; F35-W340 AromaticContact CE1-CE3 3.45Å; F35-W340 HydrophobicContact CE1-CE3 3.45Å; F35-W340 VanDerWaalsContact CE1-CE3 3.45Å; F35-W340 AromaticContact CE1-CG 3.58Å; F35-W340 HydrophobicContact CE1-CG 3.58Å; F35-W340 HydrophobicContact CE1-CZ3 4.17Å; F35-W340 HydrophobicContact CZ-CB 3.82Å; F35-W340 AromaticContact CZ-CD1 3.96Å; F35-W340 AromaticContact CZ-CD2 3.72Å; F35-W340 HydrophobicContact CZ-CD2 3.72Å; F35-W340 HydrophobicContact CZ-CE3 4.18Å; F35-W340 AromaticContact CZ-CG 3.56Å; F35-W340 HydrophobicContact CZ-CG 3.56Å; Y335-W340 HydrophobicContact CD1-CB 4.35Å; Y335-W340 AromaticContact CD1-CD1 3.9Å; Y335-W340 HydrophobicContact CD1-CG 4.41Å; Y335-W340 PolarHBondContact O-N 3.27Å; N338-W340 PolarHBondContact O-N 3.38Å; W340-T342 PolarHBondContact O-N 3.44Å; W340-A371 HydrophobicContact CZ2-CB 3.96Å
341L93Very high93.6Very high6 Ų663.8 Ų63.83%0.03134%0.342CS..  trans-82.2113.3173.3-59.4171.7000108.9A346 F347 L355 A370 W373L341-A346 HydrophobicContact CB-CB 3.97Å; L341-A346 HydrophobicContact CD1-CB 4.14Å; L341-A346 HydrophobicContact CD2-CB 4.41Å; L341-A346 HydrophobicContact CG-CB 4.39Å; L341-F347 HydrophobicContact CB-CZ 4.08Å; L341-F347 VanDerWaalsContact O-CZ 3.29Å; L341-F347 WeakPolarHBondContact O-CZ 3.35Å; L341-L355 HydrophobicContact CD2-CD1 4.43Å; L341-A370 HydrophobicContact CD2-CB 3.87Å; L341-W373 HydrophobicContact CD2-CB 4.41Å
342T91.1Very high93.6Very high111 Ų11166.2 Ų66.268%0.68135%0.353SS*.  trans-97.7-31.7-173.863.50000113.2W340 P344 W373W340-T342 PolarHBondContact O-N 3.44Å; T342-P344 WeakPolarHBondContact O-CD 3.39Å; T342-W373 PolarHBondContact N-OXT 3.07Å; T342-W373 PolarHBondContact OG1-O 3.05Å; T342-W373 PolarHBondContact OG1-OXT 2.9Å
343N92.6Very high93.6Very high71 Ų7168.8 Ų68.838%0.3837%0.374SS..SBendtrans-73.1127.4178-176.1-19.4000111.8A345 A346 W373N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact OD1-CB 3.28Å; N343-A345 WeakPolarHBondContact OD1-CB 3.38Å; N343-A345 PolarHBondContact OD1-N 3.41Å; N343-A346 VanDerWaalsContact O-CB 3.3Å; N343-A346 WeakPolarHBondContact O-CB 3.41Å; N343-A346 PolarHBondContact O-N 3.36Å; N343-W373 WeakPolarHBondContact CB-O 3.28Å; N343-W373 PolarHBondContact N-O 2.76Å
344P91.4Very high93.7Very high101 Ų10165.6 Ų65.666%0.65637%0.367SS*.G310 helixtrans-53.8-28.6176.2-2835.8000114.7T342 A346 F347T342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-A346 PolarHBondContact O-N 3.03Å; P344-F347 PolarHBondContact O-N 2.84Å
345A92.2Very high93.6Very high38 Ų3865.2 Ų65.231%0.31437%0.365SS..G310 helixtrans-61.9-30.5178.600000112.7N343 F347 T348 G351N343-A345 PolarHBondContact O-N 2.95Å; N343-A345 VanDerWaalsContact OD1-CB 3.28Å; N343-A345 WeakPolarHBondContact OD1-CB 3.38Å; N343-A345 PolarHBondContact OD1-N 3.41Å; A345-F347 PolarHBondContact O-N 3.18Å; A345-T348 WeakPolarHBondContact O-CB 3.17Å; A345-T348 PolarHBondContact O-N 3.26Å; A345-T348 PolarHBondContact O-OG1 2.91Å; A345-G351 WeakPolarHBondContact O-CA 3.45Å
346A91.3Very high93.7Very high1 Ų166 Ų661%0.00837%0.369CS..G310 helixtrans-63.2-22.2-179.600000113.2L341 N343 P344 Q352 L355L341-A346 HydrophobicContact CB-CB 3.97Å; L341-A346 HydrophobicContact CD1-CB 4.14Å; L341-A346 HydrophobicContact CD2-CB 4.41Å; L341-A346 HydrophobicContact CG-CB 4.39Å; N343-A346 VanDerWaalsContact O-CB 3.3Å; N343-A346 WeakPolarHBondContact O-CB 3.41Å; N343-A346 PolarHBondContact O-N 3.36Å; P344-A346 PolarHBondContact O-N 3.03Å; A346-Q352 WeakPolarHBondContact O-CG 3.39Å; A346-L355 HydrophobicContact CB-CD1 4.43Å
347F92Very high93.8Very high101 Ų10172.4 Ų72.444%0.44339%0.392SS..G310 helixtrans-89.8-5.7178.5-55.1-81.2000113.2A336 L341 P344 A345A336-F347 HydrophobicContact CB-CD1 4.26Å; A336-F347 HydrophobicContact CB-CE1 3.65Å; L341-F347 HydrophobicContact CB-CZ 4.08Å; L341-F347 VanDerWaalsContact O-CZ 3.29Å; L341-F347 WeakPolarHBondContact O-CZ 3.35Å; P344-F347 PolarHBondContact O-N 2.84Å; A345-F347 PolarHBondContact O-N 3.18Å
348T93.9Very high94Very high59 Ų5969.6 Ų69.636%0.36238%0.381SS..SBendtrans-84.9151.5176.871.40000110.9A345 N350 G351 Q352A345-T348 WeakPolarHBondContact O-CB 3.17Å; A345-T348 PolarHBondContact O-N 3.26Å; A345-T348 PolarHBondContact O-OG1 2.91Å; T348-N350 PolarHBondContact O-N 2.74Å; T348-G351 PolarHBondContact O-N 3.21Å; T348-G351 VanDerWaalsContact O-N 3.16Å; T348-G351 PolarHBondContact OG1-N 2.8Å; T348-Q352 PolarHBondContact O-N 3.02Å
349P94Very high94.1Very high109 Ų10967.9 Ų67.971%0.70837%0.372SS*.Hα-helixtrans-55.1-34.4174.5-27.435.4000113.5A353P349-A353 VanDerWaalsContact O-CB 3.29Å; P349-A353 WeakPolarHBondContact O-CB 3.46Å; P349-A353 PolarHBondContact O-N 2.69Å
350N95.2Very high94.3Very high134 Ų13467 Ų6772%0.71737%0.367SS*.Hα-helixtrans-70.2-45.2177.8-68.8-11.8000111.7T348 A353 E354T348-N350 PolarHBondContact O-N 2.74Å; N350-A353 PolarHBondContact O-N 2.95Å; N350-E354 WeakPolarHBondContact O-CB 3.37Å; N350-E354 PolarHBondContact O-N 3.43Å
351G93.9Very high94.4Very high3 Ų367.6 Ų67.63%0.03137%0.37CS..Hα-helixtrans-66.5-37.9177.800000112.7A345 T348 E354 L355A345-G351 WeakPolarHBondContact O-CA 3.45Å; T348-G351 PolarHBondContact O-N 3.21Å; T348-G351 VanDerWaalsContact O-N 3.16Å; T348-G351 PolarHBondContact OG1-N 2.8Å; G351-E354 WeakPolarHBondContact O-CB 3.47Å; G351-E354 PolarHBondContact O-N 3Å; G351-L355 PolarHBondContact O-N 3.37Å
352Q94.3Very high94.6Very high61 Ų6167.9 Ų67.929%0.28537%0.371SS..Hα-helixtrans-64.4-41.9172.2-68.6-171.3-400111.9L332 A346 T348 E354 L355 I356L332-Q352 HydrophobicContact CD1-CB 4.29Å; L332-Q352 HydrophobicContact CD1-CG 4.3Å; A346-Q352 WeakPolarHBondContact O-CG 3.39Å; T348-Q352 PolarHBondContact O-N 3.02Å; Q352-E354 VanDerWaalsContact C-N 3.27Å; Q352-E354 PolarHBondContact O-N 3.46Å; Q352-L355 PolarHBondContact O-N 2.87Å; Q352-I356 WeakPolarHBondContact O-CB 3.25Å; Q352-I356 WeakPolarHBondContact O-CD1 3.29Å; Q352-I356 VanDerWaalsContact O-CG1 3.23Å; Q352-I356 WeakPolarHBondContact O-CG1 3.26Å; Q352-I356 PolarHBondContact O-N 3.5Å
353A95.2Very high94.9Very high55 Ų5563.1 Ų63.146%0.45534%0.343SS..Hα-helixtrans-61.7-37.317500000111.8P349 N350 F357P349-A353 VanDerWaalsContact O-CB 3.29Å; P349-A353 WeakPolarHBondContact O-CB 3.46Å; P349-A353 PolarHBondContact O-N 2.69Å; N350-A353 PolarHBondContact O-N 2.95Å; A353-F357 WeakPolarHBondContact O-CB 3.46Å; A353-F357 PolarHBondContact O-N 3.32Å
354E95.3Very high95Very high101 Ų10161.5 Ų61.547%0.47233%0.334SS..Hα-helixtrans-66-48.6175.6-170.1174.9-174.900112N350 G351 Q352 I356 F357 L358 W373N350-E354 WeakPolarHBondContact O-CB 3.37Å; N350-E354 PolarHBondContact O-N 3.43Å; G351-E354 WeakPolarHBondContact O-CB 3.47Å; G351-E354 PolarHBondContact O-N 3Å; Q352-E354 VanDerWaalsContact C-N 3.27Å; Q352-E354 PolarHBondContact O-N 3.46Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 2.8Å; E354-F357 PolarHBondContact O-N 3.4Å; E354-L358 HydrophobicContact CG-CD1 3.92Å; E354-L358 HydrophobicContact CG-CG 4.33Å; E354-L358 WeakPolarHBondContact O-CB 3.43Å; E354-L358 WeakPolarHBondContact O-CG 3.31Å; E354-L358 PolarHBondContact O-N 3.06Å; E354-W373 HydrophobicContact CB-CH2 4.4Å; E354-W373 HydrophobicContact CG-CH2 3.89Å
355L95.3Very high95.3Very high0 Ų060.2 Ų60.20%032%0.319CS..Hα-helixtrans-57-44.7174.5-75.7170.5000112.1L332 L341 A346 G351 Q352 S359 L366 L369 W373L332-L355 HydrophobicContact CD2-CD1 3.9Å; L341-L355 HydrophobicContact CD2-CD1 4.43Å; A346-L355 HydrophobicContact CB-CD1 4.43Å; G351-L355 PolarHBondContact O-N 3.37Å; Q352-L355 PolarHBondContact O-N 2.87Å; L355-S359 VanDerWaalsContact O-CB 3.31Å; L355-S359 WeakPolarHBondContact O-CB 3.41Å; L355-S359 PolarHBondContact O-N 2.96Å; L355-S359 PolarHBondContact O-OG 3.38Å; L355-L366 HydrophobicContact CB-CD1 4.34Å; L355-L369 HydrophobicContact CD2-CB 4.09Å; L355-W373 HydrophobicContact CD2-CD2 3.76Å; L355-W373 HydrophobicContact CD2-CE3 3.27Å; L355-W373 HydrophobicContact CD2-CG 4.4Å; L355-W373 HydrophobicContact CD2-CH2 4.24Å; L355-W373 HydrophobicContact CD2-CZ3 3.54Å; L355-W373 HydrophobicContact CG-CD2 4.37Å; L355-W373 HydrophobicContact CG-CE3 4.17Å; L355-W373 HydrophobicContact CG-CH2 4.41Å; L355-W373 HydrophobicContact CG-CZ3 4.18Å
356I96.5Very high95.5Very high23 Ų2358.4 Ų58.412%0.11830%0.304CS..Hα-helixtrans-64.8-42.7178.1-69.9162.8000110.7I328 L332 Q352 E354 S359 D360 Y361I328-I356 HydrophobicContact CD1-CB 4.3Å; I328-I356 HydrophobicContact CD1-CG1 3.74Å; I328-I356 HydrophobicContact CD1-CG2 4.29Å; I328-I356 HydrophobicContact CG1-CG1 4.02Å; I328-I356 HydrophobicContact CG2-CD1 4.43Å; I328-I356 HydrophobicContact CG2-CG1 4.4Å; L332-I356 HydrophobicContact CD1-CD1 4.08Å; L332-I356 HydrophobicContact CD1-CG1 4.1Å; Q352-I356 WeakPolarHBondContact O-CB 3.25Å; Q352-I356 WeakPolarHBondContact O-CD1 3.29Å; Q352-I356 VanDerWaalsContact O-CG1 3.23Å; Q352-I356 WeakPolarHBondContact O-CG1 3.26Å; Q352-I356 PolarHBondContact O-N 3.5Å; E354-I356 VanDerWaalsContact C-N 3.32Å; E354-I356 PolarHBondContact O-N 2.8Å; I356-S359 PolarHBondContact O-OG 3.48Å; I356-D360 PolarHBondContact O-N 3.42Å; I356-D360 VanDerWaalsContact O-N 3.13Å; I356-Y361 HydrophobicContact CG2-CD1 4.43Å; I356-Y361 HydrophobicContact CG2-CD2 4.17Å; I356-Y361 HydrophobicContact CG2-CE1 3.9Å; I356-Y361 HydrophobicContact CG2-CE2 3.57Å; I356-Y361 VanDerWaalsContact CG2-CZ 3.42Å
357F96.8Very high95.6Very high166 Ų16659.2 Ų59.273%0.72831%0.31SS*.Hα-helixtrans-65.7-47.9179.3179.7-95.2000112.1A353 E354 D360A353-F357 WeakPolarHBondContact O-CB 3.46Å; A353-F357 PolarHBondContact O-N 3.32Å; E354-F357 PolarHBondContact O-N 3.4Å; F357-D360 PolarHBondContact O-N 3.46Å
358L96.9Very high95.7Very high89 Ų8959.9 Ų59.947%0.46631%0.309SS..Hα-helixtrans-67.8-36.4-178.3-69.5175.5000112.6E354 D360 L369 W373E354-L358 HydrophobicContact CG-CD1 3.92Å; E354-L358 HydrophobicContact CG-CG 4.33Å; E354-L358 WeakPolarHBondContact O-CB 3.43Å; E354-L358 WeakPolarHBondContact O-CG 3.31Å; E354-L358 PolarHBondContact O-N 3.06Å; L358-D360 VanDerWaalsContact C-N 3.32Å; L358-L369 HydrophobicContact CB-CD1 3.55Å; L358-L369 HydrophobicContact CB-CD2 4.4Å; L358-L369 HydrophobicContact CD1-CD2 4.36Å; L358-W373 HydrophobicContact CD1-CH2 4.35Å; L358-W373 HydrophobicContact CD1-CZ3 4.05Å
359S96.8Very high95.8Very high2 Ų258.9 Ų58.91%0.01430%0.302CS..Hα-helixtrans-77.2-17.7176.660.30000113.5L355 I356 Y361 N362L355-S359 VanDerWaalsContact O-CB 3.31Å; L355-S359 WeakPolarHBondContact O-CB 3.41Å; L355-S359 PolarHBondContact O-N 2.96Å; L355-S359 PolarHBondContact O-OG 3.38Å; I356-S359 PolarHBondContact O-OG 3.48Å; S359-Y361 PolarHBondContact O-N 3.23Å; S359-N362 WeakPolarHBondContact O-CB 3.5Å; S359-N362 PolarHBondContact O-N 3.36Å
360D97.1Very high95.7Very high111 Ų11153.7 Ų53.759%0.59427%0.268SS*.THydrogen-bonded Turntrans46.542.1-170.2-167.734000112.5N322 I356 F357 L358 N362N322-D360 PolarHBondContact ND2-O 3.2Å; I356-D360 PolarHBondContact O-N 3.42Å; I356-D360 VanDerWaalsContact O-N 3.13Å; F357-D360 PolarHBondContact O-N 3.46Å; L358-D360 VanDerWaalsContact C-N 3.32Å; D360-N362 PolarHBondContact O-N 3Å
361Y97.6Very high95.5Very high77 Ų7750 Ų5030%0.30226%0.256SS..THydrogen-bonded Turntrans61.17.3-175.4-60.4-103.8000115.2N322 Y323 P325 I328 I356 S359 P363N322-Y361 WeakPolarHBondContact CB-O 3.25Å; Y323-Y361 PolarHBondContact N-O 2.97Å; Y323-Y361 WeakPolarHBondContact O-CB 3.39Å; Y323-Y361 WeakPolarHBondContact O-CD1 3.29Å; P325-Y361 HydrophobicContact CG-CE1 4.13Å; I328-Y361 HydrophobicContact CB-CD1 4.24Å; I328-Y361 HydrophobicContact CD1-CD1 4.01Å; I328-Y361 HydrophobicContact CD1-CG 4.33Å; I328-Y361 HydrophobicContact CG2-CD1 3.83Å; I328-Y361 HydrophobicContact CG2-CE1 3.76Å; I356-Y361 HydrophobicContact CG2-CD1 4.43Å; I356-Y361 HydrophobicContact CG2-CD2 4.17Å; I356-Y361 HydrophobicContact CG2-CE1 3.9Å; I356-Y361 HydrophobicContact CG2-CE2 3.57Å; I356-Y361 VanDerWaalsContact CG2-CZ 3.42Å; S359-Y361 PolarHBondContact O-N 3.23Å; Y361-P363 WeakPolarHBondContact O-CD 3.5Å
362N97.8Very high95.3Very high12 Ų1258.3 Ų58.36%0.06429%0.294CS..  trans-74.4125.4179.3-172.5-79.8000110.9P90 N322 S359 D360 L364 E365 L366P90-N362 PolarHBondContact O-ND2 3.27Å; N322-N362 PolarHBondContact OD1-ND2 3.01Å; S359-N362 WeakPolarHBondContact O-CB 3.5Å; S359-N362 PolarHBondContact O-N 3.36Å; D360-N362 PolarHBondContact O-N 3Å; N362-L364 PolarHBondContact O-N 2.94Å; N362-L364 WeakPolarHBondContact OD1-CB 3.23Å; N362-L364 PolarHBondContact OD1-N 3.42Å; N362-E365 HydrophobicContact CB-CB 4.16Å; N362-E365 HydrophobicContact CB-CG 4.09Å; N362-E365 PolarHBondContact O-N 3.27Å; N362-E365 PolarHBondContact OD1-N 3.4Å; N362-L366 WeakPolarHBondContact O-CB 3.39Å; N362-L366 PolarHBondContact O-N 3.01Å
363P96.8Very high94.7Very high12 Ų1257.7 Ų57.78%0.07829%0.289CS..Hα-helixtrans-58.1-41.2-178.8-25.431.7000115.4G91 Y323 Y361 S367G91-P363 VanDerWaalsContact O-CB 3.25Å; G91-P363 WeakPolarHBondContact O-CB 3.42Å; G91-P363 VanDerWaalsContact O-CD 3.25Å; G91-P363 WeakPolarHBondContact O-CD 3.21Å; G91-P363 WeakPolarHBondContact O-CG 3.47Å; Y323-P363 HydrophobicContact CD1-CG 4.13Å; Y323-P363 HydrophobicContact CD2-CB 4.25Å; Y323-P363 HydrophobicContact CD2-CG 3.91Å; Y323-P363 HydrophobicContact CE1-CB 4.25Å; Y323-P363 HydrophobicContact CE1-CG 3.78Å; Y323-P363 VanDerWaalsContact CE2-CA 3.48Å; Y323-P363 HydrophobicContact CE2-CB 3.48Å; Y323-P363 VanDerWaalsContact CE2-CB 3.48Å; Y323-P363 HydrophobicContact CE2-CG 3.57Å; Y323-P363 HydrophobicContact CG-CG 4.19Å; Y323-P363 VanDerWaalsContact CZ-CB 3.49Å; Y323-P363 WeakPolarHBondContact OH-CB 3.22Å; Y361-P363 WeakPolarHBondContact O-CD 3.5Å; P363-S367 PolarHBondContact O-N 3.03Å; P363-S367 VanDerWaalsContact O-N 3.09Å
364L95.6Very high94.7Very high37 Ų3757.8 Ų57.819%0.19428%0.281CS..Hα-helixtrans-71.5-44.6-178.9177.664.3000111.4G91 N362 L366 S367 R368G91-L364 VanDerWaalsContact CA-CB 3.48Å; G91-L364 PolarHBondContact O-N 3.34Å; N362-L364 PolarHBondContact O-N 2.94Å; N362-L364 WeakPolarHBondContact OD1-CB 3.23Å; N362-L364 PolarHBondContact OD1-N 3.42Å; L364-L366 VanDerWaalsContact C-N 3.31Å; L364-L366 PolarHBondContact O-N 3.28Å; L364-S367 PolarHBondContact O-N 3.28Å; L364-R368 WeakPolarHBondContact O-CG 3.42Å; L364-R368 PolarHBondContact O-N 2.96Å
365E96.6Very high94.7Very high73 Ų7355.5 Ų55.534%0.34127%0.271SS..Hα-helixtrans-67.1-35.7179.1-57.1-50.414600111.2N362 R368 L369N362-E365 HydrophobicContact CB-CB 4.16Å; N362-E365 HydrophobicContact CB-CG 4.09Å; N362-E365 PolarHBondContact O-N 3.27Å; N362-E365 PolarHBondContact OD1-N 3.4Å; E365-R368 VanDerWaalsContact CD-NH1 3.27Å; E365-R368 PolarHBondContact O-N 2.89Å; E365-R368 IonicContact OE1-CZ 3.89Å; E365-R368 IonicContact OE1-NH1 2.8Å; E365-R368 PolarHBondContact OE1-NH1 3.13Å; E365-R368 IonicContact OE2-CZ 3.98Å; E365-R368 IonicContact OE2-NH1 2.96Å; E365-R368 PolarHBondContact OE2-NH1 3.38Å; E365-L369 WeakPolarHBondContact O-CB 3.33Å; E365-L369 VanDerWaalsContact O-CG 3.26Å; E365-L369 WeakPolarHBondContact O-CG 3.43Å; E365-L369 PolarHBondContact O-N 3.19Å
366L96.1Very high94.6Very high0 Ų058.6 Ų58.60%029%0.286CS..Hα-helixtrans-64.4-44.8173.4-178.160.6000112.9Y323 I328 L331 L332 Y335 L355 N362 L364 R368 L369 A370Y323-L366 HydrophobicContact CD2-CD2 4.39Å; Y323-L366 HydrophobicContact CE2-CD2 4.41Å; I328-L366 HydrophobicContact CD1-CD2 3.78Å; I328-L366 HydrophobicContact CG1-CD2 3.65Å; L331-L366 HydrophobicContact CD2-CD2 3.78Å; L331-L366 HydrophobicContact CG-CD2 4.47Å; L332-L366 HydrophobicContact CD2-CD1 4.18Å; Y335-L366 HydrophobicContact CE2-CG 4.5Å; L355-L366 HydrophobicContact CB-CD1 4.34Å; N362-L366 WeakPolarHBondContact O-CB 3.39Å; N362-L366 PolarHBondContact O-N 3.01Å; L364-L366 VanDerWaalsContact C-N 3.31Å; L364-L366 PolarHBondContact O-N 3.28Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.18Å; L366-L369 PolarHBondContact O-N 3.16Å; L366-A370 VanDerWaalsContact O-CB 3.25Å; L366-A370 WeakPolarHBondContact O-CB 3.3Å; L366-A370 PolarHBondContact O-N 2.96Å
367S94.6Very high94.5Very high19 Ų1960.7 Ų60.713%0.13330%0.296CS..Hα-helixtrans-60.4-41.8176.5159.40000111.2E31 P363 L364 A370 A371E31-S367 PolarHBondContact OE2-OG 2.85Å; P363-S367 PolarHBondContact O-N 3.03Å; P363-S367 VanDerWaalsContact O-N 3.09Å; L364-S367 PolarHBondContact O-N 3.28Å; S367-A370 PolarHBondContact O-N 2.95Å; S367-A371 WeakPolarHBondContact O-CB 3.01Å; S367-A371 PolarHBondContact O-N 3.03Å
368R94.5Very high94.4Very high114 Ų11454.1 Ų54.143%0.4327%0.268SS..Hα-helixtrans-61.5-49.8174.5-74.2176.5176.8159.1-1.4113L364 E365 L366 A370 A371L364-R368 WeakPolarHBondContact O-CG 3.42Å; L364-R368 PolarHBondContact O-N 2.96Å; E365-R368 VanDerWaalsContact CD-NH1 3.27Å; E365-R368 PolarHBondContact O-N 2.89Å; E365-R368 IonicContact OE1-CZ 3.89Å; E365-R368 IonicContact OE1-NH1 2.8Å; E365-R368 PolarHBondContact OE1-NH1 3.13Å; E365-R368 IonicContact OE2-CZ 3.98Å; E365-R368 IonicContact OE2-NH1 2.96Å; E365-R368 PolarHBondContact OE2-NH1 3.38Å; L366-R368 VanDerWaalsContact C-N 3.32Å; L366-R368 PolarHBondContact O-N 3.18Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 3.31Å; R368-A371 PolarHBondContact O-N 2.9Å
369L94.4Very high94.2Very high39 Ų3951.8 Ų51.820%0.20426%0.255CS..Hα-helixtrans-61.5-44179-71.5165.8000110.9L355 L358 E365 L366 A371 E372 W373L355-L369 HydrophobicContact CD2-CB 4.09Å; L358-L369 HydrophobicContact CB-CD1 3.55Å; L358-L369 HydrophobicContact CB-CD2 4.4Å; L358-L369 HydrophobicContact CD1-CD2 4.36Å; E365-L369 WeakPolarHBondContact O-CB 3.33Å; E365-L369 VanDerWaalsContact O-CG 3.26Å; E365-L369 WeakPolarHBondContact O-CG 3.43Å; E365-L369 PolarHBondContact O-N 3.19Å; L366-L369 PolarHBondContact O-N 3.16Å; L369-A371 VanDerWaalsContact C-N 3.32Å; L369-A371 PolarHBondContact O-N 2.73Å; L369-E372 PolarHBondContact O-N 3.17Å; L369-W373 WeakPolarHBondContact O-CB 3.49Å; L369-W373 PolarHBondContact O-N 3.26Å
370A93.1Very high94.1Very high0 Ų055.4 Ų55.40%027%0.273CS..Hα-helixtrans-65-32.8179.600000113Y335 L341 L366 S367 R368 E372 W373Y335-A370 HydrophobicContact CD2-CB 3.79Å; Y335-A370 HydrophobicContact CE2-CB 3.68Å; L341-A370 HydrophobicContact CD2-CB 3.87Å; L366-A370 VanDerWaalsContact O-CB 3.25Å; L366-A370 WeakPolarHBondContact O-CB 3.3Å; L366-A370 PolarHBondContact O-N 2.96Å; S367-A370 PolarHBondContact O-N 2.95Å; R368-A370 VanDerWaalsContact C-N 3.33Å; R368-A370 PolarHBondContact O-N 3.31Å; A370-E372 PolarHBondContact O-N 3.01Å; A370-W373 PolarHBondContact O-N 3.04Å
371A91.5Very high93.8Very high57 Ų5751.1 Ų51.147%0.47125%0.248SC..Hα-helixtrans-69.1-20.3177.200000113.7W340 S367 R368 L369W340-A371 HydrophobicContact CZ2-CB 3.96Å; S367-A371 WeakPolarHBondContact O-CB 3.01Å; S367-A371 PolarHBondContact O-N 3.03Å; R368-A371 PolarHBondContact O-N 2.9Å; L369-A371 VanDerWaalsContact C-N 3.32Å; L369-A371 PolarHBondContact O-N 2.73Å
372E88.8Confident93.5Very high177 Ų17748.9 Ų48.983%0.82724%0.243SC*.THydrogen-bonded Turntrans-99.6-0.9179.1-64.7-175.6175.900113.2L369 A370L369-E372 PolarHBondContact O-N 3.17Å; A370-E372 PolarHBondContact O-N 3.01Å
373W82.4Confident93.1Very high47 Ų4752.3 Ų52.318%0.17826%0.26CS..  trans-111.20-166-148.3-59.9000113.8L341 T342 N343 E354 L355 L358 L369 A370L341-W373 HydrophobicContact CD2-CB 4.41Å; T342-W373 PolarHBondContact N-OXT 3.07Å; T342-W373 PolarHBondContact OG1-O 3.05Å; T342-W373 PolarHBondContact OG1-OXT 2.9Å; N343-W373 WeakPolarHBondContact CB-O 3.28Å; N343-W373 PolarHBondContact N-O 2.76Å; E354-W373 HydrophobicContact CB-CH2 4.4Å; E354-W373 HydrophobicContact CG-CH2 3.89Å; L355-W373 HydrophobicContact CD2-CD2 3.76Å; L355-W373 HydrophobicContact CD2-CE3 3.27Å; L355-W373 HydrophobicContact CD2-CG 4.4Å; L355-W373 HydrophobicContact CD2-CH2 4.24Å; L355-W373 HydrophobicContact CD2-CZ3 3.54Å; L355-W373 HydrophobicContact CG-CD2 4.37Å; L355-W373 HydrophobicContact CG-CE3 4.17Å; L355-W373 HydrophobicContact CG-CH2 4.41Å; L355-W373 HydrophobicContact CG-CZ3 4.18Å; L358-W373 HydrophobicContact CD1-CH2 4.35Å; L358-W373 HydrophobicContact CD1-CZ3 4.05Å; L369-W373 WeakPolarHBondContact O-CB 3.49Å; L369-W373 PolarHBondContact O-N 3.26Å; A370-W373 PolarHBondContact O-N 3.04Å

Retrieved 373 of 373 residues in 88.3 ms (Link to these results)

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