G4LV76_SCHMA Loading...

Biotin-protein ligase

AlphaFold DB , UniProt , Accession G4LV76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.7Low91.3Very high192 Ų19260.4 Ų60.495%0.94631%0.305SS*.  0137.10-77.6-178.5-106.700107.8
2V77.1Confident91.9Very high108 Ų10860.6 Ų60.666%0.65531%0.307SS*.  trans-75.2132.4178.3-177.60000107.9
3H87.8Confident92.4Very high123 Ų12356.1 Ų56.157%0.56929%0.285SS*.  trans-60.5135.7172.4-17769.6000109.4S32 S34H3-S32 PolarHBondContact ND1-O 3.16Å; H3-S34 PolarHBondContact CE1-OG 2.87Å; H3-S34 VanDerWaalsContact CE1-OG 3.29Å; H3-S34 PolarHBondContact NE2-OG 2.76Å
4K94.1Very high92.8Very high44 Ų4453.9 Ų53.919%0.19128%0.276CS..EExtended strand (participates in β ladder)trans-129.6136.9178.2-63.5-67.2-173.9-175.60110I6 Y33 S34 D51 L258K4-I6 HydrophobicContact CB-CD1 4.08Å; K4-Y33 HydrophobicContact CB-CD1 3.55Å; K4-Y33 HydrophobicContact CB-CE1 3.63Å; K4-Y33 HydrophobicContact CB-CG 4.26Å; K4-Y33 HydrophobicContact CG-CD1 4.03Å; K4-Y33 HydrophobicContact CG-CE1 3.58Å; K4-Y33 WeakPolarHBondContact O-CA 3.4Å; K4-S34 PolarHBondContact O-N 2.86Å; K4-S34 PolarHBondContact O-OG 2.76Å; K4-D51 VanDerWaalsContact CA-OD2 3.3Å; K4-D51 WeakPolarHBondContact CA-OD2 3.35Å; K4-D51 HydrophobicContact CB-CB 4.24Å; K4-D51 HydrophobicContact CD-CB 3.78Å; K4-D51 WeakPolarHBondContact CD-OD1 3.48Å; K4-D51 IonicContact NZ-OD1 3.11Å; K4-D51 PolarHBondContact NZ-OD1 3.16Å; K4-L258 HydrophobicContact CG-CD1 4.39Å
5Q96.3Very high93.1Very high53 Ų5352.7 Ų52.725%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-93.7116.2173.5-171.4-175.51800109.7S34 E36 D51 L52Q5-S34 WeakPolarHBondContact CA-OG 3.37Å; Q5-E36 PolarHBondContact NE2-OE2 2.99Å; Q5-D51 PolarHBondContact N-OD2 2.89Å; Q5-D51 WeakPolarHBondContact O-CB 3.39Å; Q5-D51 PolarHBondContact O-N 3.13Å; Q5-L52 PolarHBondContact O-N 3.31Å
6I97.7Very high93.3Very high0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-110119.1179.6-45.2-58.7000107.8K4 I8 F26 Y33 S34 I35 E36 L52 L258K4-I6 HydrophobicContact CB-CD1 4.08Å; I6-I8 HydrophobicContact CG2-CG1 4.46Å; I6-F26 HydrophobicContact CG1-CD1 4.47Å; I6-F26 HydrophobicContact CG1-CE1 4.47Å; I6-F26 HydrophobicContact CG2-CD1 4.45Å; I6-F26 HydrophobicContact CG2-CD2 4.2Å; I6-F26 HydrophobicContact CG2-CE1 4.11Å; I6-F26 HydrophobicContact CG2-CE2 3.84Å; I6-F26 HydrophobicContact CG2-CZ 3.8Å; I6-Y33 HydrophobicContact CD1-CD2 4.37Å; I6-Y33 HydrophobicContact CG1-CD2 4.15Å; I6-Y33 HydrophobicContact CG1-CG 4.23Å; I6-S34 PolarHBondContact N-O 2.76Å; I6-I35 WeakPolarHBondContact O-CA 3.49Å; I6-E36 PolarHBondContact O-N 2.78Å; I6-L52 HydrophobicContact CD1-CB 3.81Å; I6-L52 HydrophobicContact CD1-CD2 4.23Å; I6-L52 HydrophobicContact CG2-CB 4.47Å; I6-L52 HydrophobicContact CG2-CD2 4.3Å; I6-L52 HydrophobicContact CG2-CG 4.4Å; I6-L258 HydrophobicContact CD1-CD1 4.23Å
7Q98.4Very high93.5Very high30 Ų3059.2 Ų59.214%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-101.8127.6173.1-78.3-176.5-28.900110E36 V38 S50 L52 L53 C54Q7-E36 CarbonylContact C-O 3.49Å; Q7-E36 WeakPolarHBondContact CA-O 3.49Å; Q7-E36 HydrophobicContact CG-CB 4.31Å; Q7-V38 HydrophobicContact CB-CB 4.42Å; Q7-V38 HydrophobicContact CB-CG1 4.07Å; Q7-S50 PolarHBondContact OE1-OG 3.21Å; Q7-L52 PolarHBondContact N-O 2.98Å; Q7-L53 HydrophobicContact CB-CD1 3.94Å; Q7-L53 CarbonylContact O-C 3.57Å; Q7-L53 WeakPolarHBondContact O-CA 3.42Å; Q7-C54 PolarHBondContact O-N 2.98Å
8I98.7Very high93.7Very high1 Ų156.2 Ų56.21%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-111.9122.5176.1-54.9175.7000108.6I6 N10 F19 L22 K23 F26 I35 E36 E37 V38 C54I6-I8 HydrophobicContact CG2-CG1 4.46Å; I8-N10 PolarHBondContact O-N 2.7Å; I8-F19 HydrophobicContact CB-CD2 4.36Å; I8-F19 HydrophobicContact CB-CE2 3.96Å; I8-F19 HydrophobicContact CG2-CD2 3.58Å; I8-F19 HydrophobicContact CG2-CE2 3.71Å; I8-L22 HydrophobicContact CD1-CD2 4.35Å; I8-L22 HydrophobicContact CD1-CG 4.04Å; I8-L22 HydrophobicContact CG1-CD2 4.43Å; I8-L22 HydrophobicContact CG2-CD2 3.9Å; I8-K23 HydrophobicContact CD1-CB 4.26Å; I8-F26 HydrophobicContact CD1-CD2 4.2Å; I8-I35 HydrophobicContact CD1-CG2 3.56Å; I8-I35 HydrophobicContact CG1-CG2 4.1Å; I8-E36 PolarHBondContact N-O 2.86Å; I8-E37 WeakPolarHBondContact O-CA 3.37Å; I8-V38 PolarHBondContact O-N 3.46Å; I8-C54 HydrophobicContact CB-CB 4.5Å; I8-C54 HydrophobicContact CG1-CB 4.16Å; I8-C54 HydrophobicContact CG2-CB 4.46Å
9Y98.8Very high94Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-66.9123.8177.8-177.1-90000111.5D11 T14 V38 I43 C54 F55 Y63 S66 L67Y9-D11 HydrophobicContact CE1-CB 3.82Å; Y9-D11 HydrophobicContact CE2-CB 4.23Å; Y9-T14 WeakPolarHBondContact CD1-OG1 3.42Å; Y9-T14 PolarHBondContact O-OG1 3.2Å; Y9-V38 CarbonylContact C-O 3.52Å; Y9-V38 VanDerWaalsContact CA-O 3.24Å; Y9-V38 WeakPolarHBondContact CA-O 3.43Å; Y9-I43 HydrophobicContact CD2-CD1 3.78Å; Y9-I43 HydrophobicContact CE2-CD1 4.16Å; Y9-C54 WeakPolarHBondContact CB-O 3.36Å; Y9-C54 PolarHBondContact N-O 3.43Å; Y9-F55 AromaticContact CD1-CD1 3.79Å; Y9-F55 HydrophobicContact CD1-CD1 3.79Å; Y9-F55 AromaticContact CD1-CE1 3.63Å; Y9-F55 HydrophobicContact CD1-CE1 3.63Å; Y9-F55 HydrophobicContact CD2-CD1 4.31Å; Y9-F55 AromaticContact CD2-CE1 3.43Å; Y9-F55 HydrophobicContact CD2-CE1 3.43Å; Y9-F55 VanDerWaalsContact CD2-CE1 3.43Å; Y9-F55 AromaticContact CD2-CZ 3.58Å; Y9-F55 HydrophobicContact CD2-CZ 3.58Å; Y9-F55 HydrophobicContact CE1-CD1 4.49Å; Y9-F55 HydrophobicContact CE1-CE1 4.12Å; Y9-F55 AromaticContact CE2-CE1 3.89Å; Y9-F55 HydrophobicContact CE2-CE1 3.89Å; Y9-F55 HydrophobicContact CE2-CZ 4.22Å; Y9-F55 AromaticContact CG-CD1 3.67Å; Y9-F55 HydrophobicContact CG-CD1 3.67Å; Y9-F55 AromaticContact CG-CE1 3.25Å; Y9-F55 HydrophobicContact CG-CE1 3.25Å; Y9-F55 HydrophobicContact CG-CE2 4.48Å; Y9-F55 HydrophobicContact CG-CG 4.44Å; Y9-F55 AromaticContact CG-CZ 3.72Å; Y9-F55 HydrophobicContact CG-CZ 3.72Å; Y9-Y63 AromaticContact CD1-CD1 3.85Å; Y9-Y63 HydrophobicContact CD1-CD1 3.85Å; Y9-Y63 AromaticContact CD1-CE1 3.74Å; Y9-Y63 HydrophobicContact CD1-CE1 3.74Å; Y9-Y63 AromaticContact CE1-CD1 3.35Å; Y9-Y63 HydrophobicContact CE1-CD1 3.35Å; Y9-Y63 AromaticContact CE1-CE1 3.63Å; Y9-Y63 HydrophobicContact CE1-CE1 3.63Å; Y9-Y63 HydrophobicContact CE1-CG 4.35Å; Y9-S66 VanDerWaalsContact OH-CB 3.25Å; Y9-S66 WeakPolarHBondContact OH-CB 3.5Å; Y9-S66 PolarHBondContact OH-OG 2.79Å; Y9-L67 HydrophobicContact CE2-CD1 4.17Å; Y9-L67 HydrophobicContact CE2-CD2 4.22Å; Y9-L67 HydrophobicContact CE2-CG 4.12Å
10N98.6Very high94.2Very high54 Ų5454.5 Ų54.529%0.28928%0.276SS..  trans-138.687.7-179.3-168.127.1000110.9I8 F19 E37 V38I8-N10 PolarHBondContact O-N 2.7Å; N10-F19 HydrophobicContact CB-CD2 3.79Å; N10-F19 HydrophobicContact CB-CE2 3.84Å; N10-F19 HydrophobicContact CB-CG 4.46Å; N10-E37 HydrophobicContact CB-CB 4.48Å; N10-E37 PolarHBondContact ND2-OE2 2.85Å; N10-V38 PolarHBondContact N-O 3.22Å
11D98.5Very high94.4Very high59 Ų5951.9 Ų51.932%0.31626%0.263SS..SBendtrans-158.7-165.9179.3-166.6-4.4000108.4Y9 G13 T14 N39 G40 S66Y9-D11 HydrophobicContact CE1-CB 3.82Å; Y9-D11 HydrophobicContact CE2-CB 4.23Å; D11-G13 PolarHBondContact O-N 3.42Å; D11-T14 PolarHBondContact N-OG1 2.96Å; D11-T14 VanDerWaalsContact O-CB 3.27Å; D11-T14 WeakPolarHBondContact O-CB 3.42Å; D11-T14 PolarHBondContact O-N 3.21Å; D11-T14 PolarHBondContact O-OG1 2.87Å; D11-N39 HydrophobicContact CB-CB 3.84Å; D11-G40 PolarHBondContact OD2-N 2.93Å; D11-S66 PolarHBondContact OD2-OG 3.02Å
12L98.4Very high96.3Very high63 Ų6342.8 Ų42.833%0.3322%0.218SC..THydrogen-bonded Turntrans-46.8128.7177-170.269.5000111.7Y59 G62 Y63 K65L12-Y59 WeakPolarHBondContact CD1-OH 3.33Å; L12-G62 CarbonylContact O-C 3.04Å; L12-Y63 WeakPolarHBondContact O-CD1 3.39Å; L12-Y63 PolarHBondContact O-N 2.93Å; L12-K65 HydrophobicContact CD2-CB 3.92Å; L12-K65 HydrophobicContact CD2-CD 3.71Å; L12-K65 HydrophobicContact CD2-CG 3.75Å
13G98.1Very high97.3Very high2 Ų240.7 Ų40.72%0.02120%0.2CC..THydrogen-bonded Turntrans100.6-25.8-174.300000113.8D11 G58 Y59D11-G13 PolarHBondContact O-N 3.42Å; G13-G58 CarbonylContact O-C 3.58Å; G13-G58 VanDerWaalsContact O-CA 3.22Å; G13-G58 WeakPolarHBondContact O-CA 3.3Å; G13-Y59 VanDerWaalsContact CA-O 3.3Å; G13-Y59 WeakPolarHBondContact CA-O 3.21Å; G13-Y59 PolarHBondContact O-N 3.29Å
14T98.4Very high97.7Very high25 Ų2537.3 Ų37.315%0.15319%0.186CC..BIsolated β-bridgetrans-76133-178.4-61.80000111Y9 D11 F19Y9-T14 WeakPolarHBondContact CD1-OG1 3.42Å; Y9-T14 PolarHBondContact O-OG1 3.2Å; D11-T14 PolarHBondContact N-OG1 2.96Å; D11-T14 VanDerWaalsContact O-CB 3.27Å; D11-T14 WeakPolarHBondContact O-CB 3.42Å; D11-T14 PolarHBondContact O-N 3.21Å; D11-T14 PolarHBondContact O-OG1 2.87Å; T14-F19 HydrophobicContact CG2-CB 3.9Å
15S97.4Very high97.8Very high36 Ų3635.2 Ų35.225%0.25218%0.178SC..  trans-78.5122.5164.31680000110K17 C18 F19 G57S15-K17 PolarHBondContact O-N 3.4Å; S15-C18 VanDerWaalsContact CB-SG 3.51Å; S15-C18 PolarHBondContact O-N 3.33Å; S15-C18 VanDerWaalsContact O-N 3.08Å; S15-C18 PolarHBondContact OG-N 2.93Å; S15-C18 PolarHBondContact OG-SG 3.06Å; S15-F19 PolarHBondContact O-N 2.96Å; S15-G57 WeakPolarHBondContact CB-O 3.48Å; S15-G57 PolarHBondContact N-O 2.69Å
16E96.7Very high97.8Very high147 Ų14732.7 Ų32.769%0.68717%0.166SC*.Hα-helixtrans-55.4-40.9177.4-175.4-179.7-172.100111.8C18 F19 I20E16-C18 PolarHBondContact O-N 3.39Å; E16-F19 WeakPolarHBondContact O-CB 3.41Å; E16-F19 PolarHBondContact O-N 3.32Å; E16-I20 HydrophobicContact CG-CD1 4.01Å; E16-I20 VanDerWaalsContact O-CG1 3.29Å; E16-I20 WeakPolarHBondContact O-CG1 3.24Å; E16-I20 PolarHBondContact O-N 2.94Å
17K96.2Very high97.6Very high69 Ų6938 Ų3830%0.319%0.191SC..Hα-helixtrans-60.3-48.3175.8-67.1-173-177.3-177.10111.5S15 F19 I20 H21 E136S15-K17 PolarHBondContact O-N 3.4Å; K17-F19 VanDerWaalsContact C-N 3.3Å; K17-F19 PolarHBondContact O-N 3.36Å; K17-I20 PolarHBondContact O-N 3.35Å; K17-H21 PolarHBondContact O-CD2 2.85Å; K17-H21 PolarHBondContact O-N 3.3Å; K17-E136 IonicContact NZ-OE1 2.67Å; K17-E136 PolarHBondContact NZ-OE1 2.99Å; K17-E136 VanDerWaalsContact NZ-OE1 3.11Å
18C97.7Very high97.3Very high5 Ų543.9 Ų43.93%0.03421%0.213CC..Hα-helixtrans-62.6-40.7180-59.60000111.1S15 E16 H21 L22 Y207S15-C18 VanDerWaalsContact CB-SG 3.51Å; S15-C18 PolarHBondContact O-N 3.33Å; S15-C18 VanDerWaalsContact O-N 3.08Å; S15-C18 PolarHBondContact OG-N 2.93Å; S15-C18 PolarHBondContact OG-SG 3.06Å; E16-C18 PolarHBondContact O-N 3.39Å; C18-H21 PolarHBondContact O-N 2.83Å; C18-L22 WeakPolarHBondContact O-CB 3.38Å; C18-L22 PolarHBondContact O-N 3.47Å; C18-Y207 HydrophobicContact CB-CE2 4.45Å; C18-Y207 PolarHBondContact SG-OH 3.27Å
19F98.4Very high96.7Very high15 Ų1546.2 Ų46.27%0.06623%0.225CC..Hα-helixtrans-58.6-50.4175.3172.8-96.8000111.9I8 N10 T14 S15 E16 K17 H21 L22 K23 E37I8-F19 HydrophobicContact CB-CD2 4.36Å; I8-F19 HydrophobicContact CB-CE2 3.96Å; I8-F19 HydrophobicContact CG2-CD2 3.58Å; I8-F19 HydrophobicContact CG2-CE2 3.71Å; N10-F19 HydrophobicContact CB-CD2 3.79Å; N10-F19 HydrophobicContact CB-CE2 3.84Å; N10-F19 HydrophobicContact CB-CG 4.46Å; T14-F19 HydrophobicContact CG2-CB 3.9Å; S15-F19 PolarHBondContact O-N 2.96Å; E16-F19 WeakPolarHBondContact O-CB 3.41Å; E16-F19 PolarHBondContact O-N 3.32Å; K17-F19 VanDerWaalsContact C-N 3.3Å; K17-F19 PolarHBondContact O-N 3.36Å; F19-H21 PolarHBondContact O-N 2.92Å; F19-L22 PolarHBondContact O-N 2.91Å; F19-K23 HydrophobicContact CE1-CD 4.04Å; F19-K23 HydrophobicContact CZ-CD 3.93Å; F19-K23 WeakPolarHBondContact O-CB 2.94Å; F19-K23 PolarHBondContact O-N 2.63Å; F19-E37 HydrophobicContact CE1-CG 4.5Å; F19-E37 HydrophobicContact CE2-CG 3.76Å; F19-E37 HydrophobicContact CZ-CG 3.43Å; F19-E37 VanDerWaalsContact CZ-CG 3.43Å; F19-E37 WeakPolarHBondContact CZ-OE1 3.29Å
20I98Very high96.3Very high63 Ų6346.5 Ų46.532%0.32323%0.226SC..Hα-helixtrans-60.5-46.3179.3-66.8167.4000110.7E16 K17 L22 K23 N24 L211E16-I20 HydrophobicContact CG-CD1 4.01Å; E16-I20 VanDerWaalsContact O-CG1 3.29Å; E16-I20 WeakPolarHBondContact O-CG1 3.24Å; E16-I20 PolarHBondContact O-N 2.94Å; K17-I20 PolarHBondContact O-N 3.35Å; I20-L22 PolarHBondContact O-N 2.99Å; I20-K23 PolarHBondContact O-N 3.07Å; I20-N24 VanDerWaalsContact O-CB 3.3Å; I20-N24 WeakPolarHBondContact O-CB 3.39Å; I20-N24 PolarHBondContact O-N 3.05Å; I20-L211 HydrophobicContact CG2-CD2 3.83Å
21H98.4Very high95.8Very high0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-62.2-42.8178.9-81.2-67.9000112.4K17 C18 F19 N24 A25 E206 Y207 D208 Q215K17-H21 PolarHBondContact O-CD2 2.85Å; K17-H21 PolarHBondContact O-N 3.3Å; C18-H21 PolarHBondContact O-N 2.83Å; F19-H21 PolarHBondContact O-N 2.92Å; H21-N24 PolarHBondContact O-N 3.21Å; H21-A25 WeakPolarHBondContact O-CB 3.4Å; H21-A25 PolarHBondContact O-N 3.45Å; H21-E206 HydrophobicContact CB-CG 4.02Å; H21-Y207 HydrophobicContact CB-CD2 4.04Å; H21-Y207 HydrophobicContact CB-CE2 4.33Å; H21-Y207 HydrophobicContact CB-CG 4.36Å; H21-Y207 AromaticContact CD2-CD1 3.57Å; H21-Y207 AromaticContact CD2-CE1 3.52Å; H21-Y207 AromaticContact CD2-CG 3.88Å; H21-Y207 AromaticContact CD2-CZ 3.77Å; H21-Y207 AromaticContact CE1-CD1 3.98Å; H21-Y207 AromaticContact CG-CG 3.94Å; H21-Y207 AromaticContact NE2-CD1 3.53Å; H21-Y207 AromaticContact NE2-CE1 3.67Å; H21-D208 PolarHBondContact CE1-O 3.2Å; H21-D208 VanDerWaalsContact CE1-O 3.27Å; H21-D208 PolarHBondContact ND1-N 3.19Å; H21-D208 VanDerWaalsContact ND1-N 3.14Å; H21-Q215 PolarHBondContact NE2-OE1 3.27Å
22L98.4Very high95.4Very high1 Ų149.2 Ų49.21%0.00525%0.251CS..Hα-helixtrans-64.2-45.2178.2-172.855.7000112.2I8 C18 F19 I20 N24 A25 F26 C54 L87 I89 E206 F250I8-L22 HydrophobicContact CD1-CD2 4.35Å; I8-L22 HydrophobicContact CD1-CG 4.04Å; I8-L22 HydrophobicContact CG1-CD2 4.43Å; I8-L22 HydrophobicContact CG2-CD2 3.9Å; C18-L22 WeakPolarHBondContact O-CB 3.38Å; C18-L22 PolarHBondContact O-N 3.47Å; F19-L22 PolarHBondContact O-N 2.91Å; I20-L22 PolarHBondContact O-N 2.99Å; L22-N24 PolarHBondContact O-N 3.18Å; L22-A25 PolarHBondContact O-N 2.87Å; L22-F26 HydrophobicContact CD1-CD2 4.06Å; L22-F26 HydrophobicContact CD1-CE2 3.63Å; L22-F26 HydrophobicContact CG-CD2 4.2Å; L22-F26 HydrophobicContact CG-CE2 3.96Å; L22-F26 VanDerWaalsContact O-CD2 3.32Å; L22-F26 WeakPolarHBondContact O-CD2 3.27Å; L22-F26 PolarHBondContact O-N 3.29Å; L22-F26 VanDerWaalsContact O-N 3.17Å; L22-C54 HydrophobicContact CD2-CB 3.85Å; L22-L87 HydrophobicContact CD1-CD2 4.24Å; L22-I89 HydrophobicContact CD1-CD1 4.16Å; L22-E206 HydrophobicContact CB-CB 4.36Å; L22-E206 HydrophobicContact CB-CG 4.08Å; L22-E206 HydrophobicContact CD1-CB 3.87Å; L22-E206 HydrophobicContact CD1-CG 4.31Å; L22-F250 HydrophobicContact CD1-CE2 4.02Å; L22-F250 HydrophobicContact CD1-CZ 4.37Å
23K97.6Very high95.2Very high64 Ų6448.4 Ų48.428%0.27824%0.244SC..Hα-helixtrans-58.8-47.2174.7-174.3172.1-1731700111.3I8 F19 I20 A25 F26 Q27 I35 E37I8-K23 HydrophobicContact CD1-CB 4.26Å; F19-K23 HydrophobicContact CE1-CD 4.04Å; F19-K23 HydrophobicContact CZ-CD 3.93Å; F19-K23 WeakPolarHBondContact O-CB 2.94Å; F19-K23 PolarHBondContact O-N 2.63Å; I20-K23 PolarHBondContact O-N 3.07Å; K23-A25 PolarHBondContact O-N 3.25Å; K23-F26 PolarHBondContact O-N 3.36Å; K23-Q27 WeakPolarHBondContact O-CG 3.29Å; K23-Q27 PolarHBondContact O-N 3.41Å; K23-Q27 VanDerWaalsContact O-N 3.15Å; K23-I35 HydrophobicContact CG-CG2 4.27Å; K23-E37 IonicContact NZ-OE1 2.63Å; K23-E37 PolarHBondContact NZ-OE1 3.48Å; K23-E37 VanDerWaalsContact NZ-OE1 3.14Å
24N96.6Very high95.1Very high52 Ų5249.7 Ų49.728%0.27825%0.253SS..Hα-helixtrans-60.6-41.4177.1-176.566.1000112.2I20 H21 L22 F26 Q27 Y28 D208 L211I20-N24 VanDerWaalsContact O-CB 3.3Å; I20-N24 WeakPolarHBondContact O-CB 3.39Å; I20-N24 PolarHBondContact O-N 3.05Å; H21-N24 PolarHBondContact O-N 3.21Å; L22-N24 PolarHBondContact O-N 3.18Å; N24-F26 PolarHBondContact O-N 3.37Å; N24-Q27 PolarHBondContact O-N 2.93Å; N24-Y28 PolarHBondContact O-N 3.42Å; N24-D208 PolarHBondContact ND2-OD2 3.41Å; N24-D208 VanDerWaalsContact ND2-OD2 3.11Å; N24-L211 HydrophobicContact CB-CD2 4.47Å
25A97.4Very high95Very high1 Ų150.3 Ų50.31%0.00826%0.255CS..Hα-helixtrans-64.1-41.4179.700000112.8H21 L22 K23 Y28 I29 E206 F250H21-A25 WeakPolarHBondContact O-CB 3.4Å; H21-A25 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 2.87Å; K23-A25 PolarHBondContact O-N 3.25Å; A25-Y28 WeakPolarHBondContact O-CB 3.25Å; A25-Y28 PolarHBondContact O-N 3.19Å; A25-I29 PolarHBondContact O-N 2.97Å; A25-E206 HydrophobicContact CB-CB 4.18Å; A25-F250 VanDerWaalsContact C-CE1 3.44Å; A25-F250 HydrophobicContact CB-CD1 4.07Å; A25-F250 HydrophobicContact CB-CD2 3.97Å; A25-F250 HydrophobicContact CB-CE1 3.71Å; A25-F250 HydrophobicContact CB-CE2 3.6Å; A25-F250 HydrophobicContact CB-CG 4.29Å; A25-F250 HydrophobicContact CB-CZ 3.49Å; A25-F250 VanDerWaalsContact CB-CZ 3.49Å; A25-F250 VanDerWaalsContact O-CE1 3.32Å; A25-F250 WeakPolarHBondContact O-CE1 3.25Å
26F96.4Very high94.9Very high0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-65.3-42.4174.6-82-68.3000112.5I6 I8 L22 K23 N24 Y28 I29 T30 Y33 I35 L52 L87 F250 I254I6-F26 HydrophobicContact CG1-CD1 4.47Å; I6-F26 HydrophobicContact CG1-CE1 4.47Å; I6-F26 HydrophobicContact CG2-CD1 4.45Å; I6-F26 HydrophobicContact CG2-CD2 4.2Å; I6-F26 HydrophobicContact CG2-CE1 4.11Å; I6-F26 HydrophobicContact CG2-CE2 3.84Å; I6-F26 HydrophobicContact CG2-CZ 3.8Å; I8-F26 HydrophobicContact CD1-CD2 4.2Å; L22-F26 HydrophobicContact CD1-CD2 4.06Å; L22-F26 HydrophobicContact CD1-CE2 3.63Å; L22-F26 HydrophobicContact CG-CD2 4.2Å; L22-F26 HydrophobicContact CG-CE2 3.96Å; L22-F26 VanDerWaalsContact O-CD2 3.32Å; L22-F26 WeakPolarHBondContact O-CD2 3.27Å; L22-F26 PolarHBondContact O-N 3.29Å; L22-F26 VanDerWaalsContact O-N 3.17Å; K23-F26 PolarHBondContact O-N 3.36Å; N24-F26 PolarHBondContact O-N 3.37Å; F26-Y28 PolarHBondContact O-N 3.25Å; F26-I29 PolarHBondContact O-N 2.86Å; F26-T30 PolarHBondContact O-N 3.47Å; F26-Y33 HydrophobicContact CD1-CD2 4.13Å; F26-Y33 HydrophobicContact CD1-CE2 4.49Å; F26-I35 HydrophobicContact CB-CD1 3.48Å; F26-I35 VanDerWaalsContact CB-CD1 3.48Å; F26-I35 HydrophobicContact CB-CG1 4.18Å; F26-L52 HydrophobicContact CE1-CD2 4.04Å; F26-L52 HydrophobicContact CZ-CD2 3.69Å; F26-L87 HydrophobicContact CZ-CD2 4.19Å; F26-F250 HydrophobicContact CD1-CE1 4.24Å; F26-F250 HydrophobicContact CD1-CZ 4.03Å; F26-F250 HydrophobicContact CD2-CZ 4.08Å; F26-F250 HydrophobicContact CE1-CZ 4.09Å; F26-F250 HydrophobicContact CE2-CZ 4.14Å; F26-F250 HydrophobicContact CG-CE1 4.43Å; F26-F250 HydrophobicContact CG-CZ 4.02Å; F26-F250 HydrophobicContact CZ-CZ 4.14Å; F26-I254 HydrophobicContact CE1-CD1 3.61Å; F26-I254 HydrophobicContact CE1-CG1 3.91Å; F26-I254 HydrophobicContact CE1-CG2 4.03Å; F26-I254 HydrophobicContact CZ-CD1 3.63Å; F26-I254 HydrophobicContact CZ-CG1 4.37Å
27Q93Very high95Very high111 Ų11149.9 Ų49.952%0.51925%0.249SC..Hα-helixtrans-61.4-31.7176.7-70176-3300112.3K23 N24 I35K23-Q27 WeakPolarHBondContact O-CG 3.29Å; K23-Q27 PolarHBondContact O-N 3.41Å; K23-Q27 VanDerWaalsContact O-N 3.15Å; N24-Q27 PolarHBondContact O-N 2.93Å; Q27-I35 HydrophobicContact CG-CD1 3.61Å
28Y90.8Very high95.1Very high154 Ų15446.9 Ų46.960%0.60424%0.236SC*.Hα-helixtrans-68.5-42176-177-84.6000113.2N24 A25 F26 L247N24-Y28 PolarHBondContact O-N 3.42Å; A25-Y28 WeakPolarHBondContact O-CB 3.25Å; A25-Y28 PolarHBondContact O-N 3.19Å; F26-Y28 PolarHBondContact O-N 3.25Å; Y28-L247 HydrophobicContact CD1-CD1 4.4Å; Y28-L247 HydrophobicContact CD1-CD2 3.46Å; Y28-L247 VanDerWaalsContact CD1-CD2 3.46Å; Y28-L247 HydrophobicContact CD1-CG 4.46Å; Y28-L247 HydrophobicContact CE1-CB 4.41Å; Y28-L247 HydrophobicContact CE1-CD1 3.63Å; Y28-L247 HydrophobicContact CE1-CD2 3.52Å; Y28-L247 HydrophobicContact CE1-CG 4.05Å; Y28-L247 HydrophobicContact CE2-CD1 4.22Å; Y28-L247 HydrophobicContact CG-CD2 4.03Å; Y28-L247 WeakPolarHBondContact OH-CD1 3.45Å
29I88.1Confident95.1Very high50 Ų5049 Ų4926%0.25625%0.247SC..Hα-helixtrans-63.9-51.2-179-71-175.4000110.8A25 F26 F250 E251 I254A25-I29 PolarHBondContact O-N 2.97Å; F26-I29 PolarHBondContact O-N 2.86Å; I29-F250 HydrophobicContact CD1-CD1 3.19Å; I29-F250 HydrophobicContact CD1-CE1 3.32Å; I29-F250 HydrophobicContact CD1-CG 4.36Å; I29-F250 HydrophobicContact CG1-CD1 3.64Å; I29-F250 HydrophobicContact CG1-CE1 3.81Å; I29-E251 HydrophobicContact CD1-CB 4.29Å; I29-I254 HydrophobicContact CD1-CB 4.13Å; I29-I254 HydrophobicContact CD1-CG1 4.16Å; I29-I254 HydrophobicContact CD1-CG2 4.38Å
30T89.5Confident95.1Very high5 Ų548.3 Ų48.33%0.03125%0.245CC..  trans-158.1136.1-175.8-1770000111.9F26 S32 Y33F26-T30 PolarHBondContact O-N 3.47Å; T30-S32 PolarHBondContact O-N 2.86Å; T30-S32 WeakPolarHBondContact OG1-CB 3.26Å; T30-S32 PolarHBondContact OG1-N 3.25Å; T30-S32 VanDerWaalsContact OG1-N 3.16Å; T30-S32 PolarHBondContact OG1-OG 2.92Å; T30-Y33 HydrophobicContact CG2-CD1 3.58Å; T30-Y33 HydrophobicContact CG2-CD2 3.48Å; T30-Y33 VanDerWaalsContact CG2-CD2 3.48Å; T30-Y33 HydrophobicContact CG2-CE1 3.64Å; T30-Y33 HydrophobicContact CG2-CE2 3.54Å; T30-Y33 HydrophobicContact CG2-CG 3.52Å
31P87.5Confident95.1Very high128 Ų12849.5 Ų49.583%0.83126%0.255SS*.THydrogen-bonded Turntrans-73.4-4.9171.432.4-36.4000112.5Y33P31-Y33 VanDerWaalsContact C-N 3.34Å
32S90.5Very high95.1Very high43 Ų4353.3 Ų53.330%0.30127%0.272SS..THydrogen-bonded Turntrans-80.6-12.7-175.1-56.50000113.8H3 T30H3-S32 PolarHBondContact ND1-O 3.16Å; T30-S32 PolarHBondContact O-N 2.86Å; T30-S32 WeakPolarHBondContact OG1-CB 3.26Å; T30-S32 PolarHBondContact OG1-N 3.25Å; T30-S32 VanDerWaalsContact OG1-N 3.16Å; T30-S32 PolarHBondContact OG1-OG 2.92Å
33Y94.2Very high95.1Very high45 Ų4553.3 Ų53.318%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-86132.2179.1-65.7-12.2000110.5K4 I6 F26 T30 P31 I254 L258K4-Y33 HydrophobicContact CB-CD1 3.55Å; K4-Y33 HydrophobicContact CB-CE1 3.63Å; K4-Y33 HydrophobicContact CB-CG 4.26Å; K4-Y33 HydrophobicContact CG-CD1 4.03Å; K4-Y33 HydrophobicContact CG-CE1 3.58Å; K4-Y33 WeakPolarHBondContact O-CA 3.4Å; I6-Y33 HydrophobicContact CD1-CD2 4.37Å; I6-Y33 HydrophobicContact CG1-CD2 4.15Å; I6-Y33 HydrophobicContact CG1-CG 4.23Å; F26-Y33 HydrophobicContact CD1-CD2 4.13Å; F26-Y33 HydrophobicContact CD1-CE2 4.49Å; T30-Y33 HydrophobicContact CG2-CD1 3.58Å; T30-Y33 HydrophobicContact CG2-CD2 3.48Å; T30-Y33 VanDerWaalsContact CG2-CD2 3.48Å; T30-Y33 HydrophobicContact CG2-CE1 3.64Å; T30-Y33 HydrophobicContact CG2-CE2 3.54Å; T30-Y33 HydrophobicContact CG2-CG 3.52Å; P31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-I254 HydrophobicContact CE2-CG2 4.25Å; Y33-L258 HydrophobicContact CE2-CD1 4.03Å
34S95.4Very high95.2Very high29 Ų2951.9 Ų51.920%0.20327%0.268CS..EExtended strand (participates in β ladder)trans-81.2124.1165.343.30000108.2H3 K4 Q5 I6H3-S34 PolarHBondContact CE1-OG 2.87Å; H3-S34 VanDerWaalsContact CE1-OG 3.29Å; H3-S34 PolarHBondContact NE2-OG 2.76Å; K4-S34 PolarHBondContact O-N 2.86Å; K4-S34 PolarHBondContact O-OG 2.76Å; Q5-S34 WeakPolarHBondContact CA-OG 3.37Å; I6-S34 PolarHBondContact N-O 2.76Å
35I96.6Very high95.2Very high39 Ų3955.9 Ų55.920%0.229%0.285CS..EExtended strand (participates in β ladder)trans-110.6116.8178-54168.4000107.6I6 I8 K23 F26 Q27I6-I35 WeakPolarHBondContact O-CA 3.49Å; I8-I35 HydrophobicContact CD1-CG2 3.56Å; I8-I35 HydrophobicContact CG1-CG2 4.1Å; K23-I35 HydrophobicContact CG-CG2 4.27Å; F26-I35 HydrophobicContact CB-CD1 3.48Å; F26-I35 VanDerWaalsContact CB-CD1 3.48Å; F26-I35 HydrophobicContact CB-CG1 4.18Å; Q27-I35 HydrophobicContact CG-CD1 3.61Å
36E96.7Very high95.1Very high85 Ų8561.8 Ų61.840%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-118.8147.3179.7-68.9175.7176.700110.2Q5 I6 Q7 I8Q5-E36 PolarHBondContact NE2-OE2 2.99Å; I6-E36 PolarHBondContact O-N 2.78Å; Q7-E36 CarbonylContact C-O 3.49Å; Q7-E36 WeakPolarHBondContact CA-O 3.49Å; Q7-E36 HydrophobicContact CG-CB 4.31Å; I8-E36 PolarHBondContact N-O 2.86Å
37E97.8Very high95Very high88 Ų8867.7 Ų67.741%0.41134%0.343SS..EExtended strand (participates in β ladder)trans-86.5143.6172.6-61.3-178.4-152.500108.3I8 N10 F19 K23I8-E37 WeakPolarHBondContact O-CA 3.37Å; N10-E37 HydrophobicContact CB-CB 4.48Å; N10-E37 PolarHBondContact ND2-OE2 2.85Å; F19-E37 HydrophobicContact CE1-CG 4.5Å; F19-E37 HydrophobicContact CE2-CG 3.76Å; F19-E37 HydrophobicContact CZ-CG 3.43Å; F19-E37 VanDerWaalsContact CZ-CG 3.43Å; F19-E37 WeakPolarHBondContact CZ-OE1 3.29Å; K23-E37 IonicContact NZ-OE1 2.63Å; K23-E37 PolarHBondContact NZ-OE1 3.48Å; K23-E37 VanDerWaalsContact NZ-OE1 3.14Å
38V98.5Very high95.2Very high6 Ų663.1 Ų63.14%0.03632%0.322CS..EExtended strand (participates in β ladder)trans-134.3141.717370.30000109.8Q7 I8 Y9 N10 E42 I43 L53Q7-V38 HydrophobicContact CB-CB 4.42Å; Q7-V38 HydrophobicContact CB-CG1 4.07Å; I8-V38 PolarHBondContact O-N 3.46Å; Y9-V38 CarbonylContact C-O 3.52Å; Y9-V38 VanDerWaalsContact CA-O 3.24Å; Y9-V38 WeakPolarHBondContact CA-O 3.43Å; N10-V38 PolarHBondContact N-O 3.22Å; V38-E42 VanDerWaalsContact CA-OE2 3.31Å; V38-E42 WeakPolarHBondContact CA-OE2 3.26Å; V38-E42 HydrophobicContact CG2-CB 3.79Å; V38-I43 HydrophobicContact CG1-CD1 4.23Å; V38-I43 HydrophobicContact CG2-CD1 4.32Å; V38-I43 HydrophobicContact CG2-CG1 3.82Å; V38-L53 HydrophobicContact CG1-CD1 3.85Å
39N98.4Very high95.4Very high50 Ų5063.7 Ų63.727%0.26733%0.33SS..  trans-116.7176177.463.656.6000112.6D11 T41 E42 I43D11-N39 HydrophobicContact CB-CB 3.84Å; N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.08Å; N39-T41 WeakPolarHBondContact OD1-CA 3.24Å; N39-T41 VanDerWaalsContact OD1-CB 3.24Å; N39-T41 WeakPolarHBondContact OD1-CB 3.41Å; N39-T41 PolarHBondContact OD1-N 3.33Å; N39-E42 VanDerWaalsContact CG-OE2 3.26Å; N39-E42 PolarHBondContact N-OE2 2.93Å; N39-E42 PolarHBondContact ND2-OE2 3.25Å; N39-E42 PolarHBondContact O-N 3.21Å; N39-E42 PolarHBondContact OD1-N 3.29Å; N39-I43 PolarHBondContact O-N 3.34Å
40G98.2Very high95.8Very high1 Ų161.5 Ų61.51%0.0132%0.32CS..Hα-helixtrans-66.2-29-178.400000113.4D11 N44 S66D11-G40 PolarHBondContact OD2-N 2.93Å; G40-N44 VanDerWaalsContact O-CB 3.27Å; G40-N44 WeakPolarHBondContact O-CB 3.31Å; G40-N44 PolarHBondContact O-N 3.32Å; G40-N44 PolarHBondContact O-ND2 3.32Å; G40-S66 WeakPolarHBondContact CA-OG 3.07Å
41T98.2Very high96.1Very high87 Ų8763.9 Ų63.953%0.53433%0.332SS..Hα-helixtrans-66.1-47.7174.3-61.10000110.4N39 N44 H45N39-T41 VanDerWaalsContact C-N 3.27Å; N39-T41 PolarHBondContact O-N 3.08Å; N39-T41 WeakPolarHBondContact OD1-CA 3.24Å; N39-T41 VanDerWaalsContact OD1-CB 3.24Å; N39-T41 WeakPolarHBondContact OD1-CB 3.41Å; N39-T41 PolarHBondContact OD1-N 3.33Å; T41-N44 PolarHBondContact O-N 3.43Å; T41-H45 WeakPolarHBondContact CG2-ND1 3.44Å; T41-H45 PolarHBondContact O-N 3.28Å; T41-H45 PolarHBondContact O-ND1 3.35Å
42E98.4Very high96.6Very high80 Ų8057.8 Ų57.837%0.37429%0.293SS..Hα-helixtrans-63.1-46179.8-70.6169128.600111.8V38 N39 N44 H45 H46V38-E42 VanDerWaalsContact CA-OE2 3.31Å; V38-E42 WeakPolarHBondContact CA-OE2 3.26Å; V38-E42 HydrophobicContact CG2-CB 3.79Å; N39-E42 VanDerWaalsContact CG-OE2 3.26Å; N39-E42 PolarHBondContact N-OE2 2.93Å; N39-E42 PolarHBondContact ND2-OE2 3.25Å; N39-E42 PolarHBondContact O-N 3.21Å; N39-E42 PolarHBondContact OD1-N 3.29Å; E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 PolarHBondContact O-N 3.49Å; E42-H45 PolarHBondContact O-N 3.07Å; E42-H46 WeakPolarHBondContact O-CB 3.33Å; E42-H46 PolarHBondContact O-CD2 3.14Å; E42-H46 VanDerWaalsContact O-CD2 3.31Å; E42-H46 PolarHBondContact O-N 2.71Å
43I98.5Very high96.9Very high2 Ų255.8 Ų55.81%0.0128%0.279CS..Hα-helixtrans-59.2-42.1174.7-71.9169.1000110.4Y9 V38 N39 H45 I48 F55 L67 K74 V75Y9-I43 HydrophobicContact CD2-CD1 3.78Å; Y9-I43 HydrophobicContact CE2-CD1 4.16Å; V38-I43 HydrophobicContact CG1-CD1 4.23Å; V38-I43 HydrophobicContact CG2-CD1 4.32Å; V38-I43 HydrophobicContact CG2-CG1 3.82Å; N39-I43 PolarHBondContact O-N 3.34Å; I43-H45 PolarHBondContact O-N 3Å; I43-I48 HydrophobicContact CG1-CD1 4.38Å; I43-I48 HydrophobicContact CG1-CG1 4.4Å; I43-I48 HydrophobicContact CG2-CD1 4.17Å; I43-F55 HydrophobicContact CD1-CZ 4.07Å; I43-L67 HydrophobicContact CB-CD2 3.66Å; I43-L67 HydrophobicContact CD1-CD2 3.84Å; I43-L67 HydrophobicContact CG1-CD2 4.34Å; I43-L67 HydrophobicContact CG2-CD2 3.49Å; I43-L67 VanDerWaalsContact CG2-CD2 3.49Å; I43-K74 HydrophobicContact CG2-CB 4.27Å; I43-K74 WeakPolarHBondContact O-CD 3.12Å; I43-K74 PolarHBondContact O-NZ 2.66Å; I43-V75 HydrophobicContact CD1-CG2 4.42Å; I43-V75 HydrophobicContact CG2-CG2 4.12Å
44N97.9Very high97.2Very high33 Ų3353.6 Ų53.618%0.17627%0.27CS..Hα-helixtrans-68.8-27.7179.6-87.1-65.9000114.1G40 T41 E42 L67 S70 G71 K74G40-N44 VanDerWaalsContact O-CB 3.27Å; G40-N44 WeakPolarHBondContact O-CB 3.31Å; G40-N44 PolarHBondContact O-N 3.32Å; G40-N44 PolarHBondContact O-ND2 3.32Å; T41-N44 PolarHBondContact O-N 3.43Å; E42-N44 VanDerWaalsContact C-N 3.28Å; E42-N44 PolarHBondContact O-N 3.49Å; N44-L67 PolarHBondContact ND2-O 3.07Å; N44-L67 PolarHBondContact OD1-O 3.1Å; N44-S70 WeakPolarHBondContact OD1-CB 3.4Å; N44-S70 PolarHBondContact OD1-OG 2.7Å; N44-G71 WeakPolarHBondContact OD1-CA 3.46Å; N44-G71 PolarHBondContact OD1-N 2.84Å; N44-K74 WeakPolarHBondContact O-CE 3.27Å; N44-K74 PolarHBondContact O-NZ 2.97Å
45H97.5Very high97.3Very high137 Ų13752.2 Ų52.263%0.63426%0.26SS*.Hα-helixtrans-101.1-23.3-176.3-66.789.9000114.2T41 E42 I43T41-H45 WeakPolarHBondContact CG2-ND1 3.44Å; T41-H45 PolarHBondContact O-N 3.28Å; T41-H45 PolarHBondContact O-ND1 3.35Å; E42-H45 PolarHBondContact O-N 3.07Å; I43-H45 PolarHBondContact O-N 3Å
46H96.1Very high97.4Very high124 Ų12450.5 Ų50.557%0.57425%0.252SS*.SBendtrans-117.5167.6-173.7-56.7-96.7000111.7E42 K74E42-H46 WeakPolarHBondContact O-CB 3.33Å; E42-H46 PolarHBondContact O-CD2 3.14Å; E42-H46 VanDerWaalsContact O-CD2 3.31Å; E42-H46 PolarHBondContact O-N 2.71Å; H46-K74 PolarHBondContact O-NZ 3.05Å
47N93.9Very high97.5Very high124 Ų12446.5 Ų46.566%0.66323%0.234SC*.  trans-88.3135.7167.7-72.1-33.8000108.4Q49N47-Q49 PolarHBondContact O-N 2.67Å
48I97.5Very high97.5Very high16 Ų1643.5 Ų43.58%0.08223%0.226CC..  trans-74.7125175.4-54.3159.6000108I43 L53 V75 Y78I43-I48 HydrophobicContact CG1-CD1 4.38Å; I43-I48 HydrophobicContact CG1-CG1 4.4Å; I43-I48 HydrophobicContact CG2-CD1 4.17Å; I48-L53 HydrophobicContact CD1-CD2 3.93Å; I48-L53 HydrophobicContact CG2-CD2 4.32Å; I48-V75 HydrophobicContact CD1-CB 4.5Å; I48-V75 HydrophobicContact CD1-CG2 3.93Å; I48-Y78 HydrophobicContact CB-CD2 3.73Å; I48-Y78 HydrophobicContact CB-CE2 4.34Å; I48-Y78 HydrophobicContact CB-CG 3.84Å; I48-Y78 HydrophobicContact CD1-CG 4.24Å; I48-Y78 HydrophobicContact CG2-CD1 4.07Å; I48-Y78 HydrophobicContact CG2-CD2 3.57Å; I48-Y78 HydrophobicContact CG2-CE1 4.2Å; I48-Y78 HydrophobicContact CG2-CE2 3.7Å; I48-Y78 HydrophobicContact CG2-CG 3.76Å; I48-Y78 WeakPolarHBondContact O-CD2 3.48Å
49Q94Very high97.5Very high165 Ų16547.6 Ų47.677%0.77124%0.242SC*.  trans-125.81-176.9-65.4-174.1-46.900113.5N47N47-Q49 PolarHBondContact O-N 2.67Å
50S96.5Very high97.4Very high5 Ų545.7 Ų45.74%0.03523%0.232CC..  trans-61.315017956.80000112.3Q7 L52 Y78Q7-S50 PolarHBondContact OE1-OG 3.21Å; S50-L52 PolarHBondContact O-N 3.06Å; S50-L52 PolarHBondContact OG-O 3.33Å; S50-Y78 WeakPolarHBondContact O-CE2 3.45Å; S50-Y78 PolarHBondContact O-OH 3.19Å
51D95.8Very high97.4Very high55 Ų5549.6 Ų49.629%0.29425%0.252SS..SBendtrans-63.8-30.8169.5-70.7-87.9000111.9K4 Q5 R85 L258K4-D51 VanDerWaalsContact CA-OD2 3.3Å; K4-D51 WeakPolarHBondContact CA-OD2 3.35Å; K4-D51 HydrophobicContact CB-CB 4.24Å; K4-D51 HydrophobicContact CD-CB 3.78Å; K4-D51 WeakPolarHBondContact CD-OD1 3.48Å; K4-D51 IonicContact NZ-OD1 3.11Å; K4-D51 PolarHBondContact NZ-OD1 3.16Å; Q5-D51 PolarHBondContact N-OD2 2.89Å; Q5-D51 WeakPolarHBondContact O-CB 3.39Å; Q5-D51 PolarHBondContact O-N 3.13Å; D51-R85 WeakPolarHBondContact O-CB 3.43Å; D51-L258 HydrophobicContact CB-CD2 4.17Å
52L97.5Very high97.4Very high0 Ų045.5 Ų45.50%023%0.227CC..EExtended strand (participates in β ladder)trans-146.9130177.5173.260.1000110.8Q5 I6 Q7 F26 S50 R85 L87 I254 L257 L258Q5-L52 PolarHBondContact O-N 3.31Å; I6-L52 HydrophobicContact CD1-CB 3.81Å; I6-L52 HydrophobicContact CD1-CD2 4.23Å; I6-L52 HydrophobicContact CG2-CB 4.47Å; I6-L52 HydrophobicContact CG2-CD2 4.3Å; I6-L52 HydrophobicContact CG2-CG 4.4Å; Q7-L52 PolarHBondContact N-O 2.98Å; F26-L52 HydrophobicContact CE1-CD2 4.04Å; F26-L52 HydrophobicContact CZ-CD2 3.69Å; S50-L52 PolarHBondContact O-N 3.06Å; S50-L52 PolarHBondContact OG-O 3.33Å; L52-R85 HydrophobicContact CD1-CB 3.91Å; L52-R85 WeakPolarHBondContact CD1-O 3.44Å; L52-L87 HydrophobicContact CD1-CB 3.99Å; L52-I254 HydrophobicContact CD2-CD1 4.26Å; L52-L257 HydrophobicContact CD1-CD2 3.37Å; L52-L257 HydrophobicContact CD1-CG 4.03Å; L52-L257 HydrophobicContact CD2-CD2 4.12Å; L52-L257 HydrophobicContact CG-CD2 4.41Å; L52-L258 HydrophobicContact CB-CD2 3.85Å
53L98.6Very high97.4Very high0 Ų041.7 Ų41.70%021%0.209CC..EExtended strand (participates in β ladder)trans-104.8127169.9-177.966.4000110.3Q7 V38 I48 F55 V75 Y78 R85 Y86 L87Q7-L53 HydrophobicContact CB-CD1 3.94Å; Q7-L53 CarbonylContact O-C 3.57Å; Q7-L53 WeakPolarHBondContact O-CA 3.42Å; V38-L53 HydrophobicContact CG1-CD1 3.85Å; I48-L53 HydrophobicContact CD1-CD2 3.93Å; I48-L53 HydrophobicContact CG2-CD2 4.32Å; L53-F55 HydrophobicContact CD1-CE2 4.28Å; L53-F55 HydrophobicContact CD2-CE2 3.75Å; L53-F55 HydrophobicContact CG-CD2 4.29Å; L53-F55 HydrophobicContact CG-CE2 3.83Å; L53-V75 HydrophobicContact CD2-CG1 3.93Å; L53-V75 HydrophobicContact CD2-CG2 4.06Å; L53-Y78 HydrophobicContact CB-CD1 4.43Å; L53-Y78 HydrophobicContact CB-CE1 3.74Å; L53-Y78 HydrophobicContact CD2-CD1 4.25Å; L53-Y78 HydrophobicContact CD2-CE1 4.37Å; L53-R85 PolarHBondContact N-O 2.91Å; L53-Y86 CarbonylContact O-C 3.58Å; L53-Y86 WeakPolarHBondContact O-CA 3.15Å; L53-L87 PolarHBondContact O-N 2.9Å
54C98.9Very high97.4Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-116134.8-176.2-58.40000111.9Q7 I8 Y9 L22 L87Q7-C54 PolarHBondContact O-N 2.98Å; I8-C54 HydrophobicContact CB-CB 4.5Å; I8-C54 HydrophobicContact CG1-CB 4.16Å; I8-C54 HydrophobicContact CG2-CB 4.46Å; Y9-C54 WeakPolarHBondContact CB-O 3.36Å; Y9-C54 PolarHBondContact N-O 3.43Å; L22-C54 HydrophobicContact CD2-CB 3.85Å; C54-L87 CarbonylContact C-O 3.59Å; C54-L87 WeakPolarHBondContact CA-O 3.36Å; C54-L87 HydrophobicContact CB-CB 4.4Å
55F98.9Very high97.4Very high0 Ų049.4 Ų49.40%024%0.242CC..EExtended strand (participates in β ladder)trans-119.6119.4166.2-76.6-106.3000109Y9 I43 L53 Y63 L67 V75 Y86 L87 G88 I89 F95Y9-F55 AromaticContact CD1-CD1 3.79Å; Y9-F55 HydrophobicContact CD1-CD1 3.79Å; Y9-F55 AromaticContact CD1-CE1 3.63Å; Y9-F55 HydrophobicContact CD1-CE1 3.63Å; Y9-F55 HydrophobicContact CD2-CD1 4.31Å; Y9-F55 AromaticContact CD2-CE1 3.43Å; Y9-F55 HydrophobicContact CD2-CE1 3.43Å; Y9-F55 VanDerWaalsContact CD2-CE1 3.43Å; Y9-F55 AromaticContact CD2-CZ 3.58Å; Y9-F55 HydrophobicContact CD2-CZ 3.58Å; Y9-F55 HydrophobicContact CE1-CD1 4.49Å; Y9-F55 HydrophobicContact CE1-CE1 4.12Å; Y9-F55 AromaticContact CE2-CE1 3.89Å; Y9-F55 HydrophobicContact CE2-CE1 3.89Å; Y9-F55 HydrophobicContact CE2-CZ 4.22Å; Y9-F55 AromaticContact CG-CD1 3.67Å; Y9-F55 HydrophobicContact CG-CD1 3.67Å; Y9-F55 AromaticContact CG-CE1 3.25Å; Y9-F55 HydrophobicContact CG-CE1 3.25Å; Y9-F55 HydrophobicContact CG-CE2 4.48Å; Y9-F55 HydrophobicContact CG-CG 4.44Å; Y9-F55 AromaticContact CG-CZ 3.72Å; Y9-F55 HydrophobicContact CG-CZ 3.72Å; I43-F55 HydrophobicContact CD1-CZ 4.07Å; L53-F55 HydrophobicContact CD1-CE2 4.28Å; L53-F55 HydrophobicContact CD2-CE2 3.75Å; L53-F55 HydrophobicContact CG-CD2 4.29Å; L53-F55 HydrophobicContact CG-CE2 3.83Å; F55-Y63 HydrophobicContact CB-CE2 4.46Å; F55-Y63 HydrophobicContact CD1-CD1 4.34Å; F55-Y63 AromaticContact CD1-CD2 3.97Å; F55-Y63 HydrophobicContact CD1-CD2 3.97Å; F55-Y63 HydrophobicContact CD1-CE1 4.41Å; F55-Y63 HydrophobicContact CD1-CE2 4.07Å; F55-Y63 HydrophobicContact CD1-CG 4.12Å; F55-Y63 HydrophobicContact CE1-CG 4.38Å; F55-L67 HydrophobicContact CE1-CD1 3.85Å; F55-L67 HydrophobicContact CZ-CD1 3.91Å; F55-V75 HydrophobicContact CE2-CG2 4.49Å; F55-V75 HydrophobicContact CZ-CG2 4.41Å; F55-Y86 HydrophobicContact CB-CE2 4.44Å; F55-Y86 WeakPolarHBondContact CB-OH 3.35Å; F55-Y86 HydrophobicContact CD2-CD2 4.33Å; F55-Y86 AromaticContact CD2-CE2 3.4Å; F55-Y86 HydrophobicContact CD2-CE2 3.4Å; F55-Y86 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y86 AromaticContact CD2-CZ 3.93Å; F55-Y86 AromaticContact CE2-CE2 3.95Å; F55-Y86 HydrophobicContact CE2-CE2 3.95Å; F55-Y86 HydrophobicContact CG-CE2 4.17Å; F55-L87 PolarHBondContact N-O 3.31Å; F55-G88 WeakPolarHBondContact O-CA 3.44Å; F55-I89 PolarHBondContact O-N 2.93Å; F55-F95 AromaticContact CD1-CD1 3.95Å; F55-F95 HydrophobicContact CD1-CD1 3.95Å; F55-F95 HydrophobicContact CD1-CE1 4.07Å; F55-F95 HydrophobicContact CE1-CD1 4.1Å; F55-F95 AromaticContact CE1-CE1 3.72Å; F55-F95 HydrophobicContact CE1-CE1 3.72Å; F55-F95 HydrophobicContact CG-CD1 4.39Å; F55-F95 HydrophobicContact CZ-CE1 4.1Å
56G98.6Very high97.4Very high3 Ų344.1 Ų44.13%0.03122%0.221CC..  trans-85.1-167.9-179.200000113.8Y63 I89 G92G56-Y63 PolarHBondContact O-OH 2.9Å; G56-I89 CarbonylContact C-O 3.57Å; G56-I89 VanDerWaalsContact O-O 3.04Å; G56-G92 PolarHBondContact O-N 3.22Å
57G98.2Very high97.5Very high0 Ų038.2 Ų38.20%019%0.193CC..SBendtrans-70.8170.9172.100000114S15 Y63 I89S15-G57 WeakPolarHBondContact CB-O 3.48Å; S15-G57 PolarHBondContact N-O 2.69Å; G57-Y63 PolarHBondContact O-OH 2.88Å; G57-I89 PolarHBondContact N-O 3.02Å
58G97.6Very high97.7Very high25 Ų2538.4 Ų38.426%0.25819%0.19SC..BIsolated β-bridgetrans138.3-131.4-172.600000110.6G13G13-G58 CarbonylContact O-C 3.58Å; G13-G58 VanDerWaalsContact O-CA 3.22Å; G13-G58 WeakPolarHBondContact O-CA 3.3Å
59Y97.8Very high97.8Very high93 Ų9342.1 Ų42.137%0.36521%0.21SC..  trans-136.2124.1174.865.4-80.7000111L12 G13 L61 G62L12-Y59 WeakPolarHBondContact CD1-OH 3.33Å; G13-Y59 VanDerWaalsContact CA-O 3.3Å; G13-Y59 WeakPolarHBondContact CA-O 3.21Å; G13-Y59 PolarHBondContact O-N 3.29Å; Y59-L61 VanDerWaalsContact C-N 3.32Å; Y59-L61 HydrophobicContact CD2-CB 4.34Å; Y59-L61 PolarHBondContact O-N 3.26Å; Y59-G62 VanDerWaalsContact CD2-N 3.35Å; Y59-G62 VanDerWaalsContact CE2-CA 3.41Å; Y59-G62 VanDerWaalsContact CE2-N 3.34Å; Y59-G62 PolarHBondContact O-N 2.91Å
60D96.5Very high98Very high10 Ų1037 Ų375%0.05319%0.193CC..Hα-helixtrans-71.8-22.6-167.670.4-20.4000114.3G62 Y63 L64 A91 F95 C100 R114D60-G62 PolarHBondContact O-N 3.14Å; D60-Y63 HydrophobicContact CB-CD2 4.19Å; D60-Y63 WeakPolarHBondContact O-CB 3.18Å; D60-Y63 PolarHBondContact O-N 2.86Å; D60-Y63 VanDerWaalsContact O-N 3.1Å; D60-L64 PolarHBondContact O-N 2.82Å; D60-A91 HydrophobicContact CB-CB 4.42Å; D60-F95 HydrophobicContact CB-CB 4.17Å; D60-C100 PolarHBondContact OD2-SG 3.05Å; D60-C100 VanDerWaalsContact OD2-SG 3.41Å; D60-R114 IonicContact OD1-NH2 2.71Å; D60-R114 PolarHBondContact OD1-NH2 3.45Å; D60-R114 VanDerWaalsContact OD1-NH2 3.14Å; D60-R114 IonicContact OD2-CZ 3.14Å; D60-R114 IonicContact OD2-NE 3.1Å; D60-R114 PolarHBondContact OD2-NE 3.15Å; D60-R114 IonicContact OD2-NH2 2.76Å; D60-R114 PolarHBondContact OD2-NH2 2.86Å
61L97.9Very high98.1Very high83 Ų8336.8 Ų36.844%0.43519%0.191SC..Hα-helixtrans-60.6-28.1170.2-64.7-176.4000112.4Y59 L64 K65 V110Y59-L61 VanDerWaalsContact C-N 3.32Å; Y59-L61 HydrophobicContact CD2-CB 4.34Å; Y59-L61 PolarHBondContact O-N 3.26Å; L61-L64 HydrophobicContact CD2-CD1 4Å; L61-K65 WeakPolarHBondContact O-CB 2.87Å; L61-K65 PolarHBondContact O-N 3.29Å; L61-V110 HydrophobicContact CD1-CG1 4.06Å; L61-V110 HydrophobicContact CD1-CG2 3.92Å; L61-V110 HydrophobicContact CD2-CG1 3.88Å; L61-V110 HydrophobicContact CG-CG1 3.98Å; L61-V110 HydrophobicContact CG-CG2 4.47Å
62G98.4Very high98.2Very high1 Ų134.2 Ų34.21%0.0118%0.177CC..Hα-helixtrans-67-42.517300000111.8L12 Y59 D60 L64 K65 S66L12-G62 CarbonylContact O-C 3.04Å; Y59-G62 VanDerWaalsContact CD2-N 3.35Å; Y59-G62 VanDerWaalsContact CE2-CA 3.41Å; Y59-G62 VanDerWaalsContact CE2-N 3.34Å; Y59-G62 PolarHBondContact O-N 2.91Å; D60-G62 PolarHBondContact O-N 3.14Å; G62-L64 PolarHBondContact O-N 2.83Å; G62-K65 PolarHBondContact O-N 2.77Å; G62-S66 PolarHBondContact O-N 3.17Å
63Y98.6Very high98.2Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-59.9-46.9174.7-53.9-27.3000110.8Y9 L12 F55 G56 G57 D60 K65 S66 L67 A91 F95Y9-Y63 AromaticContact CD1-CD1 3.85Å; Y9-Y63 HydrophobicContact CD1-CD1 3.85Å; Y9-Y63 AromaticContact CD1-CE1 3.74Å; Y9-Y63 HydrophobicContact CD1-CE1 3.74Å; Y9-Y63 AromaticContact CE1-CD1 3.35Å; Y9-Y63 HydrophobicContact CE1-CD1 3.35Å; Y9-Y63 AromaticContact CE1-CE1 3.63Å; Y9-Y63 HydrophobicContact CE1-CE1 3.63Å; Y9-Y63 HydrophobicContact CE1-CG 4.35Å; L12-Y63 WeakPolarHBondContact O-CD1 3.39Å; L12-Y63 PolarHBondContact O-N 2.93Å; F55-Y63 HydrophobicContact CB-CE2 4.46Å; F55-Y63 HydrophobicContact CD1-CD1 4.34Å; F55-Y63 AromaticContact CD1-CD2 3.97Å; F55-Y63 HydrophobicContact CD1-CD2 3.97Å; F55-Y63 HydrophobicContact CD1-CE1 4.41Å; F55-Y63 HydrophobicContact CD1-CE2 4.07Å; F55-Y63 HydrophobicContact CD1-CG 4.12Å; F55-Y63 HydrophobicContact CE1-CG 4.38Å; G56-Y63 PolarHBondContact O-OH 2.9Å; G57-Y63 PolarHBondContact O-OH 2.88Å; D60-Y63 HydrophobicContact CB-CD2 4.19Å; D60-Y63 WeakPolarHBondContact O-CB 3.18Å; D60-Y63 PolarHBondContact O-N 2.86Å; D60-Y63 VanDerWaalsContact O-N 3.1Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.36Å; Y63-S66 PolarHBondContact O-N 2.86Å; Y63-L67 VanDerWaalsContact O-CB 3.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.32Å; Y63-L67 PolarHBondContact O-N 3.39Å; Y63-A91 HydrophobicContact CE2-CB 3.82Å; Y63-F95 HydrophobicContact CD2-CB 3.96Å; Y63-F95 AromaticContact CD2-CD1 3.93Å; Y63-F95 HydrophobicContact CD2-CD1 3.93Å; Y63-F95 HydrophobicContact CD2-CD2 4.29Å; Y63-F95 AromaticContact CD2-CG 3.83Å; Y63-F95 HydrophobicContact CD2-CG 3.83Å; Y63-F95 HydrophobicContact CG-CD1 4.44Å; Y63-F95 HydrophobicContact CG-CG 4.49Å
64L98.3Very high98.2Very high35 Ų3541.3 Ų41.318%0.18321%0.212CC..Hα-helixtrans-59.2-42.4175-75173.6000112.5D60 L61 G62 Q68 F95D60-L64 PolarHBondContact O-N 2.82Å; L61-L64 HydrophobicContact CD2-CD1 4Å; G62-L64 PolarHBondContact O-N 2.83Å; L64-Q68 WeakPolarHBondContact O-CA 2.97Å; L64-Q68 PolarHBondContact O-N 2.89Å; L64-F95 HydrophobicContact CD2-CD2 4.49Å; L64-F95 HydrophobicContact CD2-CE2 3.81Å; L64-F95 HydrophobicContact CG-CD2 4.41Å; L64-F95 HydrophobicContact CG-CE2 3.97Å
65K98.3Very high98.2Very high161 Ų16141.3 Ų41.370%0.721%0.212SC*.Hα-helixtrans-68.3-40.3-178.9178.6168.8170.1-1740112.4L12 L61 G62 Y63L12-K65 HydrophobicContact CD2-CB 3.92Å; L12-K65 HydrophobicContact CD2-CD 3.71Å; L12-K65 HydrophobicContact CD2-CG 3.75Å; L61-K65 WeakPolarHBondContact O-CB 2.87Å; L61-K65 PolarHBondContact O-N 3.29Å; G62-K65 PolarHBondContact O-N 2.77Å; Y63-K65 VanDerWaalsContact C-N 3.33Å; Y63-K65 PolarHBondContact O-N 3.36Å
66S98.3Very high98.2Very high26 Ų2643.2 Ų43.218%0.18222%0.221CC..Hα-helixtrans-75.7-47.3178.3172.30000112.3Y9 D11 G40 G62 Y63Y9-S66 VanDerWaalsContact OH-CB 3.25Å; Y9-S66 WeakPolarHBondContact OH-CB 3.5Å; Y9-S66 PolarHBondContact OH-OG 2.79Å; D11-S66 PolarHBondContact OD2-OG 3.02Å; G40-S66 WeakPolarHBondContact CA-OG 3.07Å; G62-S66 PolarHBondContact O-N 3.17Å; Y63-S66 PolarHBondContact O-N 2.86Å
67L98.4Very high98.2Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-75.5-31.5-177.3-73.4166.1000113.1Y9 I43 N44 F55 Y63 G71 F95Y9-L67 HydrophobicContact CE2-CD1 4.17Å; Y9-L67 HydrophobicContact CE2-CD2 4.22Å; Y9-L67 HydrophobicContact CE2-CG 4.12Å; I43-L67 HydrophobicContact CB-CD2 3.66Å; I43-L67 HydrophobicContact CD1-CD2 3.84Å; I43-L67 HydrophobicContact CG1-CD2 4.34Å; I43-L67 HydrophobicContact CG2-CD2 3.49Å; I43-L67 VanDerWaalsContact CG2-CD2 3.49Å; N44-L67 PolarHBondContact ND2-O 3.07Å; N44-L67 PolarHBondContact OD1-O 3.1Å; F55-L67 HydrophobicContact CE1-CD1 3.85Å; F55-L67 HydrophobicContact CZ-CD1 3.91Å; Y63-L67 VanDerWaalsContact O-CB 3.25Å; Y63-L67 WeakPolarHBondContact O-CB 3.32Å; Y63-L67 PolarHBondContact O-N 3.39Å; L67-G71 VanDerWaalsContact O-CA 3.29Å; L67-G71 WeakPolarHBondContact O-CA 3.4Å; L67-G71 PolarHBondContact O-N 2.91Å; L67-F95 HydrophobicContact CD1-CE1 3.71Å; L67-F95 HydrophobicContact CD1-CZ 3.54Å
68Q97.9Very high98.2Very high128 Ų12847.4 Ų47.460%0.59824%0.239SC*.Hα-helixtrans53.4-176.2-166.5-53.1-176.2-44.900111.6L64 S70 G71 C72L64-Q68 WeakPolarHBondContact O-CA 2.97Å; L64-Q68 PolarHBondContact O-N 2.89Å; Q68-S70 VanDerWaalsContact C-N 3.25Å; Q68-S70 PolarHBondContact O-N 2.94Å; Q68-G71 PolarHBondContact O-N 2.96Å; Q68-C72 PolarHBondContact O-N 2.68Å; Q68-C72 VanDerWaalsContact O-N 3.16Å; Q68-C72 PolarHBondContact O-SG 3.28Å
69L98.3Very high98.1Very high94 Ų9446.2 Ų46.249%0.49223%0.227SC..Hα-helixtrans-59.5-38.5178.7-179.660.4000111.9C72 L73 H115L69-C72 PolarHBondContact O-N 3.28Å; L69-L73 HydrophobicContact CD1-CD1 4.09Å; L69-L73 HydrophobicContact CD1-CD2 4.44Å; L69-L73 HydrophobicContact CD1-CG 3.98Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 HydrophobicContact CG-CG 4.27Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.2Å; L69-L73 PolarHBondContact O-N 3.16Å; L69-H115 HydrophobicContact CD1-CB 3.96Å
70S98.2Very high98.1Very high59 Ų5945.6 Ų45.641%0.41323%0.226SC..Hα-helixtrans-60-48.2-179.6490000112.5N44 Q68 L73 K74N44-S70 WeakPolarHBondContact OD1-CB 3.4Å; N44-S70 PolarHBondContact OD1-OG 2.7Å; Q68-S70 VanDerWaalsContact C-N 3.25Å; Q68-S70 PolarHBondContact O-N 2.94Å; S70-L73 PolarHBondContact O-N 3.39Å; S70-K74 PolarHBondContact O-N 3.31Å
71G98.6Very high98Very high0 Ų050.4 Ų50.40%025%0.248CC..Hα-helixtrans-67.8-40.6179.600000111.6N44 L67 Q68 L73 K74 V75N44-G71 WeakPolarHBondContact OD1-CA 3.46Å; N44-G71 PolarHBondContact OD1-N 2.84Å; L67-G71 VanDerWaalsContact O-CA 3.29Å; L67-G71 WeakPolarHBondContact O-CA 3.4Å; L67-G71 PolarHBondContact O-N 2.91Å; Q68-G71 PolarHBondContact O-N 2.96Å; G71-L73 PolarHBondContact O-N 2.81Å; G71-K74 WeakPolarHBondContact O-CB 3.43Å; G71-K74 PolarHBondContact O-N 3.19Å; G71-V75 PolarHBondContact O-N 3.17Å
72C98.7Very high97.9Very high0 Ų052.6 Ų52.60%025%0.254CS..Hα-helixtrans-60.1-44174.5-65.10000112.4Q68 L69 K74 V75 H76 F95 H115Q68-C72 PolarHBondContact O-N 2.68Å; Q68-C72 VanDerWaalsContact O-N 3.16Å; Q68-C72 PolarHBondContact O-SG 3.28Å; L69-C72 PolarHBondContact O-N 3.28Å; C72-K74 VanDerWaalsContact C-N 3.27Å; C72-K74 PolarHBondContact O-N 2.88Å; C72-V75 PolarHBondContact O-N 3.41Å; C72-H76 PolarHBondContact O-N 3.29Å; C72-F95 VanDerWaalsContact SG-CZ 3.53Å; C72-H115 HydrophobicContact CB-CB 3.67Å
73L98.3Very high97.7Very high89 Ų8957.7 Ų57.747%0.46628%0.279SS..Hα-helixtrans-66.9-29177.6-70.3178.8000112.5L69 S70 G71 H77L69-L73 HydrophobicContact CD1-CD1 4.09Å; L69-L73 HydrophobicContact CD1-CD2 4.44Å; L69-L73 HydrophobicContact CD1-CG 3.98Å; L69-L73 HydrophobicContact CG-CD1 3.97Å; L69-L73 HydrophobicContact CG-CG 4.27Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.3Å; L69-L73 WeakPolarHBondContact O-CG 3.2Å; L69-L73 PolarHBondContact O-N 3.16Å; S70-L73 PolarHBondContact O-N 3.39Å; G71-L73 PolarHBondContact O-N 2.81Å; L73-H77 VanDerWaalsContact O-CB 3.26Å; L73-H77 WeakPolarHBondContact O-CB 3.3Å; L73-H77 PolarHBondContact O-N 3.1Å
74K98.4Very high97.5Very high61 Ų6157.9 Ų57.927%0.26528%0.28SS..Hα-helixtrans-68.2-40.5171-78.8-172.9164.7-162.50112.7I43 N44 H46 S70 G71 C72 H77 Y78I43-K74 HydrophobicContact CG2-CB 4.27Å; I43-K74 WeakPolarHBondContact O-CD 3.12Å; I43-K74 PolarHBondContact O-NZ 2.66Å; N44-K74 WeakPolarHBondContact O-CE 3.27Å; N44-K74 PolarHBondContact O-NZ 2.97Å; H46-K74 PolarHBondContact O-NZ 3.05Å; S70-K74 PolarHBondContact O-N 3.31Å; G71-K74 WeakPolarHBondContact O-CB 3.43Å; G71-K74 PolarHBondContact O-N 3.19Å; C72-K74 VanDerWaalsContact C-N 3.27Å; C72-K74 PolarHBondContact O-N 2.88Å; K74-H77 PolarHBondContact O-N 3.32Å; K74-Y78 WeakPolarHBondContact O-CB 3.36Å; K74-Y78 PolarHBondContact O-N 3.33Å
75V98.7Very high97.5Very high0 Ų057.5 Ų57.50%028%0.277CS..Hα-helixtrans-64.1-44.8173178.40000110.6I43 I48 L53 F55 G71 C72 H77 Y78 I79 Y86 I116I43-V75 HydrophobicContact CD1-CG2 4.42Å; I43-V75 HydrophobicContact CG2-CG2 4.12Å; I48-V75 HydrophobicContact CD1-CB 4.5Å; I48-V75 HydrophobicContact CD1-CG2 3.93Å; L53-V75 HydrophobicContact CD2-CG1 3.93Å; L53-V75 HydrophobicContact CD2-CG2 4.06Å; F55-V75 HydrophobicContact CE2-CG2 4.49Å; F55-V75 HydrophobicContact CZ-CG2 4.41Å; G71-V75 PolarHBondContact O-N 3.17Å; C72-V75 PolarHBondContact O-N 3.41Å; V75-H77 VanDerWaalsContact C-N 3.34Å; V75-H77 PolarHBondContact O-N 2.93Å; V75-Y78 WeakPolarHBondContact O-CB 3.19Å; V75-Y78 PolarHBondContact O-N 3.23Å; V75-I79 HydrophobicContact CG1-CD1 4.12Å; V75-I79 WeakPolarHBondContact O-CG1 3.33Å; V75-I79 PolarHBondContact O-N 3.46Å; V75-I79 VanDerWaalsContact O-N 3.08Å; V75-Y86 HydrophobicContact CG1-CD2 4.24Å; V75-Y86 HydrophobicContact CG1-CE2 4.27Å; V75-I116 HydrophobicContact CB-CD1 4.15Å; V75-I116 HydrophobicContact CB-CG1 4.14Å; V75-I116 HydrophobicContact CG1-CD1 3.57Å; V75-I116 HydrophobicContact CG1-CG1 3.92Å; V75-I116 HydrophobicContact CG1-CG2 4.42Å
76H98.5Very high97.5Very high39 Ų3949.8 Ų49.818%0.18124%0.243CC..Hα-helixtrans-55.2-48.9172.9-18096.6000111.6C72 I79 K80 I116C72-H76 PolarHBondContact O-N 3.29Å; H76-I79 PolarHBondContact O-N 3.49Å; H76-K80 WeakPolarHBondContact NE2-CD 3.34Å; H76-K80 VanDerWaalsContact O-CB 3.29Å; H76-K80 WeakPolarHBondContact O-CB 3.4Å; H76-K80 PolarHBondContact O-N 3.4Å; H76-I116 PolarHBondContact ND1-O 2.85Å
77H98Very high97.5Very high82 Ų8248.6 Ų48.638%0.3824%0.235SC..Hα-helixtrans-62.8-42.1179-179.181.9000112.5L73 K74 V75 I79 E81 K82L73-H77 VanDerWaalsContact O-CB 3.26Å; L73-H77 WeakPolarHBondContact O-CB 3.3Å; L73-H77 PolarHBondContact O-N 3.1Å; K74-H77 PolarHBondContact O-N 3.32Å; V75-H77 VanDerWaalsContact C-N 3.34Å; V75-H77 PolarHBondContact O-N 2.93Å; H77-I79 PolarHBondContact O-N 3.41Å; H77-E81 VanDerWaalsContact ND1-CG 3.33Å; H77-E81 WeakPolarHBondContact ND1-CG 3.47Å; H77-E81 WeakPolarHBondContact O-CA 3.3Å; H77-E81 WeakPolarHBondContact O-CB 3.45Å; H77-E81 PolarHBondContact O-N 3.14Å; H77-K82 WeakPolarHBondContact NE2-CE 3.23Å; H77-K82 PolarHBondContact O-N 2.9Å
78Y98.1Very high97.5Very high9 Ų948.6 Ų48.64%0.03524%0.235CC..Hα-helixtrans-55.9-49.2174.7160.7-106.5000111.3I48 S50 L53 K74 V75 K82 G84 R85I48-Y78 HydrophobicContact CB-CD2 3.73Å; I48-Y78 HydrophobicContact CB-CE2 4.34Å; I48-Y78 HydrophobicContact CB-CG 3.84Å; I48-Y78 HydrophobicContact CD1-CG 4.24Å; I48-Y78 HydrophobicContact CG2-CD1 4.07Å; I48-Y78 HydrophobicContact CG2-CD2 3.57Å; I48-Y78 HydrophobicContact CG2-CE1 4.2Å; I48-Y78 HydrophobicContact CG2-CE2 3.7Å; I48-Y78 HydrophobicContact CG2-CG 3.76Å; I48-Y78 WeakPolarHBondContact O-CD2 3.48Å; S50-Y78 WeakPolarHBondContact O-CE2 3.45Å; S50-Y78 PolarHBondContact O-OH 3.19Å; L53-Y78 HydrophobicContact CB-CD1 4.43Å; L53-Y78 HydrophobicContact CB-CE1 3.74Å; L53-Y78 HydrophobicContact CD2-CD1 4.25Å; L53-Y78 HydrophobicContact CD2-CE1 4.37Å; K74-Y78 WeakPolarHBondContact O-CB 3.36Å; K74-Y78 PolarHBondContact O-N 3.33Å; V75-Y78 WeakPolarHBondContact O-CB 3.19Å; V75-Y78 PolarHBondContact O-N 3.23Å; Y78-K82 HydrophobicContact CD2-CB 4.44Å; Y78-K82 CarbonylContact O-C 3.42Å; Y78-K82 WeakPolarHBondContact O-CA 3.32Å; Y78-K82 VanDerWaalsContact O-CB 3.26Å; Y78-K82 WeakPolarHBondContact O-CB 3.46Å; Y78-K82 PolarHBondContact O-N 2.72Å; Y78-G84 WeakPolarHBondContact O-CA 3.31Å; Y78-G84 PolarHBondContact O-N 2.8Å; Y78-R85 WeakPolarHBondContact CE1-O 3.34Å; Y78-R85 PolarHBondContact OH-N 3Å; Y78-R85 VanDerWaalsContact OH-N 3.16Å; Y78-R85 PolarHBondContact OH-O 3.27Å
79I97.1Very high97.6Very high0 Ų042.5 Ų42.50%021%0.206CC..Hα-helixtrans-65.3-58.9178.6-57.6163.4000109.3V75 H76 H77 M83 G84 Y86 I116 L118 L193 G196V75-I79 HydrophobicContact CG1-CD1 4.12Å; V75-I79 WeakPolarHBondContact O-CG1 3.33Å; V75-I79 PolarHBondContact O-N 3.46Å; V75-I79 VanDerWaalsContact O-N 3.08Å; H76-I79 PolarHBondContact O-N 3.49Å; H77-I79 PolarHBondContact O-N 3.41Å; I79-M83 PolarHBondContact O-N 3.28Å; I79-G84 PolarHBondContact O-N 3.25Å; I79-Y86 HydrophobicContact CD1-CD2 4.06Å; I79-Y86 HydrophobicContact CD1-CG 4.1Å; I79-I116 HydrophobicContact CD1-CG2 3.89Å; I79-L118 HydrophobicContact CD1-CD2 4.33Å; I79-L118 HydrophobicContact CG2-CD1 4.17Å; I79-L193 HydrophobicContact CB-CD2 4.23Å; I79-L193 HydrophobicContact CG2-CB 3.95Å; I79-L193 HydrophobicContact CG2-CD2 4.22Å; I79-L193 HydrophobicContact CG2-CG 4.48Å; I79-G196 WeakPolarHBondContact O-CA 3.47Å; I79-G196 PolarHBondContact O-N 3.05Å
80K96Very high97.6Very high81 Ų8138.5 Ų38.535%0.35219%0.186SC..Hα-helixtrans-64.4-51.9-169.2-167.9177.4170.9-1780114H76 L193H76-K80 WeakPolarHBondContact NE2-CD 3.34Å; H76-K80 VanDerWaalsContact O-CB 3.29Å; H76-K80 WeakPolarHBondContact O-CB 3.4Å; H76-K80 PolarHBondContact O-N 3.4Å; K80-L193 WeakPolarHBondContact CA-O 3.26Å; K80-L193 HydrophobicContact CB-CD2 4.08Å; K80-L193 HydrophobicContact CB-CG 3.83Å; K80-L193 HydrophobicContact CD-CD1 4.21Å; K80-L193 HydrophobicContact CD-CG 4.37Å; K80-L193 HydrophobicContact CG-CD1 4.36Å; K80-L193 HydrophobicContact CG-CG 4.07Å
81E95.5Very high97.6Very high110 Ų11035.8 Ų35.851%0.51417%0.167SC..Hα-helixtrans-100.2-22.6-166.9-52.8-58.6154.400112.5H77H77-E81 VanDerWaalsContact ND1-CG 3.33Å; H77-E81 WeakPolarHBondContact ND1-CG 3.47Å; H77-E81 WeakPolarHBondContact O-CA 3.3Å; H77-E81 WeakPolarHBondContact O-CB 3.45Å; H77-E81 PolarHBondContact O-N 3.14Å
82K95Very high97.6Very high129 Ų12935.8 Ų35.856%0.56117%0.167SC*.Hα-helixtrans-104.810.2178.5-51.5-59.7-177.7-171.40113.7H77 Y78 G84H77-K82 WeakPolarHBondContact NE2-CE 3.23Å; H77-K82 PolarHBondContact O-N 2.9Å; Y78-K82 HydrophobicContact CD2-CB 4.44Å; Y78-K82 CarbonylContact O-C 3.42Å; Y78-K82 WeakPolarHBondContact O-CA 3.32Å; Y78-K82 VanDerWaalsContact O-CB 3.26Å; Y78-K82 WeakPolarHBondContact O-CB 3.46Å; Y78-K82 PolarHBondContact O-N 2.72Å; K82-G84 PolarHBondContact O-N 2.81Å
83M94Very high97.6Very high109 Ų10935.8 Ų35.854%0.53717%0.167SC..  trans56.430.8-175.9-49.217957.900111.8I79 R85 N195I79-M83 PolarHBondContact O-N 3.28Å; M83-R85 PolarHBondContact O-NH1 2.88Å; M83-N195 HydrophobicContact CB-CB 4.47Å; M83-N195 HydrophobicContact CE-CB 4.32Å; M83-N195 HydrophobicContact CG-CB 3.68Å; M83-N195 HydrophobicContact SD-CB 4.4Å
84G95.8Very high97.7Very high3 Ų331.8 Ų31.83%0.03115%0.146CC..  trans-62.4158.8-177.500000112.6Y78 I79 K82 G196 S197Y78-G84 WeakPolarHBondContact O-CA 3.31Å; Y78-G84 PolarHBondContact O-N 2.8Å; I79-G84 PolarHBondContact O-N 3.25Å; K82-G84 PolarHBondContact O-N 2.81Å; G84-G196 VanDerWaalsContact O-CA 3.32Å; G84-G196 WeakPolarHBondContact O-CA 3.42Å; G84-S197 PolarHBondContact O-N 2.85Å
85R97Very high97.7Very high27 Ų2728.9 Ų28.910%0.10213%0.133CC..EExtended strand (participates in β ladder)trans-114.7136.6174.4-57.2-61.6-176-113.37.5110D51 L52 L53 Y78 M83 N195 S197 L257D51-R85 WeakPolarHBondContact O-CB 3.43Å; L52-R85 HydrophobicContact CD1-CB 3.91Å; L52-R85 WeakPolarHBondContact CD1-O 3.44Å; L53-R85 PolarHBondContact N-O 2.91Å; Y78-R85 WeakPolarHBondContact CE1-O 3.34Å; Y78-R85 PolarHBondContact OH-N 3Å; Y78-R85 VanDerWaalsContact OH-N 3.16Å; Y78-R85 PolarHBondContact OH-O 3.27Å; M83-R85 PolarHBondContact O-NH1 2.88Å; R85-N195 PolarHBondContact NH1-O 2.96Å; R85-S197 CarbonylContact C-O 3.55Å; R85-S197 VanDerWaalsContact CA-O 3.3Å; R85-S197 WeakPolarHBondContact CA-O 3.39Å; R85-S197 VanDerWaalsContact CD-OG 3.31Å; R85-S197 WeakPolarHBondContact CD-OG 3.22Å; R85-L257 HydrophobicContact CB-CD1 3.99Å; R85-L257 HydrophobicContact CB-CG 4.08Å; R85-L257 VanDerWaalsContact CD-O 3.23Å; R85-L257 WeakPolarHBondContact CD-O 3.26Å; R85-L257 HydrophobicContact CG-CD1 4.49Å; R85-L257 WeakPolarHBondContact CG-O 3.3Å; R85-L257 PolarHBondContact NE-O 2.82Å
86Y98.2Very high97.7Very high0 Ų028.9 Ų28.90%013%0.133CC..EExtended strand (participates in β ladder)trans-123.5134.2-177.2-177.5-88000111.6L53 F55 V75 I79 G88 G92 A96 I116 L118 S197 G198 I199 L200 L257L53-Y86 CarbonylContact O-C 3.58Å; L53-Y86 WeakPolarHBondContact O-CA 3.15Å; F55-Y86 HydrophobicContact CB-CE2 4.44Å; F55-Y86 WeakPolarHBondContact CB-OH 3.35Å; F55-Y86 HydrophobicContact CD2-CD2 4.33Å; F55-Y86 AromaticContact CD2-CE2 3.4Å; F55-Y86 HydrophobicContact CD2-CE2 3.4Å; F55-Y86 VanDerWaalsContact CD2-CE2 3.4Å; F55-Y86 AromaticContact CD2-CZ 3.93Å; F55-Y86 AromaticContact CE2-CE2 3.95Å; F55-Y86 HydrophobicContact CE2-CE2 3.95Å; F55-Y86 HydrophobicContact CG-CE2 4.17Å; V75-Y86 HydrophobicContact CG1-CD2 4.24Å; V75-Y86 HydrophobicContact CG1-CE2 4.27Å; I79-Y86 HydrophobicContact CD1-CD2 4.06Å; I79-Y86 HydrophobicContact CD1-CG 4.1Å; Y86-G88 VanDerWaalsContact CE1-CA 3.42Å; Y86-G88 VanDerWaalsContact CE1-N 3.35Å; Y86-G92 PolarHBondContact OH-O 2.77Å; Y86-A96 HydrophobicContact CD1-CB 4.22Å; Y86-A96 HydrophobicContact CE1-CB 3.48Å; Y86-A96 VanDerWaalsContact CE1-CB 3.48Å; Y86-I116 HydrophobicContact CE2-CD1 3.94Å; Y86-L118 HydrophobicContact CD1-CD2 3.69Å; Y86-L118 HydrophobicContact CG-CD2 4.02Å; Y86-S197 PolarHBondContact N-O 3.03Å; Y86-G198 CarbonylContact O-C 3.58Å; Y86-G198 WeakPolarHBondContact O-CA 3.46Å; Y86-I199 PolarHBondContact O-N 2.83Å; Y86-L200 HydrophobicContact CD1-CD2 3.7Å; Y86-L200 HydrophobicContact CE1-CD2 3.56Å; Y86-L257 WeakPolarHBondContact O-CD2 3.45Å
87L98.8Very high97.7Very high1 Ų127 Ų271%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-117.7117.2167.4173.661000109.4L22 F26 L52 L53 C54 F55 I89 I199 F205 I254 L257L22-L87 HydrophobicContact CD1-CD2 4.24Å; F26-L87 HydrophobicContact CZ-CD2 4.19Å; L52-L87 HydrophobicContact CD1-CB 3.99Å; L53-L87 PolarHBondContact O-N 2.9Å; C54-L87 CarbonylContact C-O 3.59Å; C54-L87 WeakPolarHBondContact CA-O 3.36Å; C54-L87 HydrophobicContact CB-CB 4.4Å; F55-L87 PolarHBondContact N-O 3.31Å; L87-I89 HydrophobicContact CD1-CD1 4.38Å; L87-I89 HydrophobicContact CD1-CG1 4.06Å; L87-I89 HydrophobicContact CD2-CD1 4.25Å; L87-I89 HydrophobicContact CG-CD1 4.32Å; L87-I89 HydrophobicContact CG-CG1 4.18Å; L87-I199 HydrophobicContact CD1-CB 4.25Å; L87-I199 HydrophobicContact CD1-CG2 4.21Å; L87-F205 HydrophobicContact CD1-CZ 3.85Å; L87-I254 HydrophobicContact CD2-CD1 3.87Å; L87-L257 HydrophobicContact CB-CD2 3.96Å
88G98.9Very high97.7Very high0 Ų024.7 Ų24.70%012%0.115CC..EExtended strand (participates in β ladder)trans-115.1124.1175.700000111.4F55 Y86 G92 I199 L200 S201F55-G88 WeakPolarHBondContact O-CA 3.44Å; Y86-G88 VanDerWaalsContact CE1-CA 3.42Å; Y86-G88 VanDerWaalsContact CE1-N 3.35Å; G88-G92 VanDerWaalsContact CA-C 3.44Å; G88-G92 WeakPolarHBondContact CA-O 3.4Å; G88-I199 PolarHBondContact N-O 3.14Å; G88-L200 CarbonylContact O-C 3.21Å; G88-L200 WeakPolarHBondContact O-CA 3.02Å; G88-S201 PolarHBondContact O-N 2.89Å
89I98.9Very high97.7Very high0 Ų028.6 Ų28.60%013%0.13CC..EExtended strand (participates in β ladder)trans-122.4129.2177.9-54.2178.1000109.6L22 F55 G56 G57 L87 A91 G92 S201 V203 H204 F205 E206L22-I89 HydrophobicContact CD1-CD1 4.16Å; F55-I89 PolarHBondContact O-N 2.93Å; G56-I89 CarbonylContact C-O 3.57Å; G56-I89 VanDerWaalsContact O-O 3.04Å; G57-I89 PolarHBondContact N-O 3.02Å; L87-I89 HydrophobicContact CD1-CD1 4.38Å; L87-I89 HydrophobicContact CD1-CG1 4.06Å; L87-I89 HydrophobicContact CD2-CD1 4.25Å; L87-I89 HydrophobicContact CG-CD1 4.32Å; L87-I89 HydrophobicContact CG-CG1 4.18Å; I89-A91 PolarHBondContact O-N 2.94Å; I89-G92 PolarHBondContact O-N 2.93Å; I89-S201 CarbonylContact C-O 3.55Å; I89-S201 WeakPolarHBondContact CA-O 3.47Å; I89-V203 WeakPolarHBondContact CG2-O 3.2Å; I89-H204 WeakPolarHBondContact CG2-ND1 3.22Å; I89-F205 HydrophobicContact CD1-CE1 3.89Å; I89-F205 HydrophobicContact CD1-CZ 3.91Å; I89-F205 HydrophobicContact CG1-CE1 4.05Å; I89-F205 HydrophobicContact CG1-CZ 4.35Å; I89-E206 HydrophobicContact CD1-CB 4.31Å; I89-E206 HydrophobicContact CD1-CG 4.32Å; I89-E206 WeakPolarHBondContact CD1-OE2 3.19Å
90C98.7Very high97.8Very high9 Ų928.6 Ų28.66%0.06113%0.131CC..THydrogen-bonded Turntrans50.8-111.7-177.8-175.50000110.8G92 A93 Y94 N161 S201 H204C90-G92 PolarHBondContact O-N 2.95Å; C90-G92 VanDerWaalsContact O-N 3.17Å; C90-A93 WeakPolarHBondContact O-CA 3.45Å; C90-A93 VanDerWaalsContact O-CB 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.4Å; C90-A93 PolarHBondContact O-N 3.28Å; C90-Y94 WeakPolarHBondContact O-CD2 3.33Å; C90-Y94 PolarHBondContact O-N 3.49Å; C90-N161 PolarHBondContact SG-O 3.13Å; C90-S201 PolarHBondContact N-O 2.62Å; C90-H204 WeakPolarHBondContact CB-CE1 3.2Å; C90-H204 WeakPolarHBondContact CB-NE2 3.47Å
91A98.7Very high97.9Very high3 Ų325.4 Ų25.43%0.02512%0.118CC..Hα-helixtrans-50.2-40.6174.900000113.2D60 Y63 I89 A93 Y94 F95D60-A91 HydrophobicContact CB-CB 4.42Å; Y63-A91 HydrophobicContact CE2-CB 3.82Å; I89-A91 PolarHBondContact O-N 2.94Å; A91-A93 VanDerWaalsContact C-N 3.28Å; A91-A93 PolarHBondContact O-N 2.88Å; A91-Y94 PolarHBondContact O-N 3.33Å; A91-F95 VanDerWaalsContact O-CB 3.26Å; A91-F95 WeakPolarHBondContact O-CB 3.41Å; A91-F95 PolarHBondContact O-N 2.83Å
92G98.9Very high98.1Very high0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-67.7-25.517500000113.9G56 Y86 G88 I89 C90G56-G92 PolarHBondContact O-N 3.22Å; Y86-G92 PolarHBondContact OH-O 2.77Å; G88-G92 VanDerWaalsContact CA-C 3.44Å; G88-G92 WeakPolarHBondContact CA-O 3.4Å; I89-G92 PolarHBondContact O-N 2.93Å; C90-G92 PolarHBondContact O-N 2.95Å; C90-G92 VanDerWaalsContact O-N 3.17Å
93A98.9Very high98.2Very high0 Ų016.7 Ų16.70%08%0.081CC..Hα-helixtrans-74.3-48.7172.100000111C90 A91 F95 A96 C97 F166 L200 S201C90-A93 WeakPolarHBondContact O-CA 3.45Å; C90-A93 VanDerWaalsContact O-CB 3.26Å; C90-A93 WeakPolarHBondContact O-CB 3.4Å; C90-A93 PolarHBondContact O-N 3.28Å; A91-A93 VanDerWaalsContact C-N 3.28Å; A91-A93 PolarHBondContact O-N 2.88Å; A93-F95 VanDerWaalsContact C-N 3.27Å; A93-F95 PolarHBondContact O-N 3.46Å; A93-A96 PolarHBondContact O-N 2.97Å; A93-A96 VanDerWaalsContact O-N 3.14Å; A93-C97 PolarHBondContact O-N 3.43Å; A93-C97 PolarHBondContact O-SG 2.94Å; A93-F166 HydrophobicContact CB-CE1 4.22Å; A93-F166 HydrophobicContact CB-CZ 4.02Å; A93-L200 HydrophobicContact CB-CB 4.08Å; A93-S201 WeakPolarHBondContact CB-O 3.26Å
94Y98.8Very high98.3Very high5 Ų515 Ų152%0.027%0.072CC..Hα-helixtrans-53.7-45.1173.3-71.9-79000111.9C90 A91 A96 C97 C100 F102 G123 G125 G162 G163 C164C90-Y94 WeakPolarHBondContact O-CD2 3.33Å; C90-Y94 PolarHBondContact O-N 3.49Å; A91-Y94 PolarHBondContact O-N 3.33Å; Y94-A96 PolarHBondContact O-N 2.98Å; Y94-C97 WeakPolarHBondContact O-CB 3.43Å; Y94-C97 PolarHBondContact O-N 3.33Å; Y94-C100 HydrophobicContact CD1-CB 4.37Å; Y94-C100 WeakPolarHBondContact CD1-SG 3.4Å; Y94-F102 HydrophobicContact CE1-CD2 4.15Å; Y94-F102 HydrophobicContact CE2-CD2 4.07Å; Y94-F102 HydrophobicContact CE2-CE2 4.44Å; Y94-F102 AromaticContact CZ-CD2 3.65Å; Y94-G123 VanDerWaalsContact CD1-O 3.31Å; Y94-G123 WeakPolarHBondContact CD1-O 3.49Å; Y94-G123 VanDerWaalsContact CE1-O 3.3Å; Y94-G123 WeakPolarHBondContact CE1-O 3.15Å; Y94-G125 VanDerWaalsContact OH-CA 3.27Å; Y94-G125 WeakPolarHBondContact OH-CA 3.47Å; Y94-G162 PolarHBondContact OH-O 2.75Å; Y94-G163 VanDerWaalsContact OH-C 3.31Å; Y94-G163 PolarHBondContact OH-O 3.31Å; Y94-C164 HydrophobicContact CD1-CB 4.05Å; Y94-C164 HydrophobicContact CD2-CB 4.45Å; Y94-C164 HydrophobicContact CE1-CB 3.48Å; Y94-C164 VanDerWaalsContact CE1-CB 3.48Å; Y94-C164 HydrophobicContact CE2-CB 3.89Å; Y94-C164 WeakPolarHBondContact OH-CA 3.43Å; Y94-C164 PolarHBondContact OH-N 2.85Å
95F98.8Very high98.4Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-61.9-23.8-178.5-172.2-128.4000114.3F55 D60 Y63 L64 L67 C72 A91 A93 R114 I116F55-F95 AromaticContact CD1-CD1 3.95Å; F55-F95 HydrophobicContact CD1-CD1 3.95Å; F55-F95 HydrophobicContact CD1-CE1 4.07Å; F55-F95 HydrophobicContact CE1-CD1 4.1Å; F55-F95 AromaticContact CE1-CE1 3.72Å; F55-F95 HydrophobicContact CE1-CE1 3.72Å; F55-F95 HydrophobicContact CG-CD1 4.39Å; F55-F95 HydrophobicContact CZ-CE1 4.1Å; D60-F95 HydrophobicContact CB-CB 4.17Å; Y63-F95 HydrophobicContact CD2-CB 3.96Å; Y63-F95 AromaticContact CD2-CD1 3.93Å; Y63-F95 HydrophobicContact CD2-CD1 3.93Å; Y63-F95 HydrophobicContact CD2-CD2 4.29Å; Y63-F95 AromaticContact CD2-CG 3.83Å; Y63-F95 HydrophobicContact CD2-CG 3.83Å; Y63-F95 HydrophobicContact CG-CD1 4.44Å; Y63-F95 HydrophobicContact CG-CG 4.49Å; L64-F95 HydrophobicContact CD2-CD2 4.49Å; L64-F95 HydrophobicContact CD2-CE2 3.81Å; L64-F95 HydrophobicContact CG-CD2 4.41Å; L64-F95 HydrophobicContact CG-CE2 3.97Å; L67-F95 HydrophobicContact CD1-CE1 3.71Å; L67-F95 HydrophobicContact CD1-CZ 3.54Å; C72-F95 VanDerWaalsContact SG-CZ 3.53Å; A91-F95 VanDerWaalsContact O-CB 3.26Å; A91-F95 WeakPolarHBondContact O-CB 3.41Å; A91-F95 PolarHBondContact O-N 2.83Å; A93-F95 VanDerWaalsContact C-N 3.27Å; A93-F95 PolarHBondContact O-N 3.46Å; F95-R114 WeakPolarHBondContact O-CB 3.4Å; F95-I116 HydrophobicContact CD1-CD1 3.33Å; F95-I116 HydrophobicContact CD1-CG1 4.35Å; F95-I116 HydrophobicContact CE1-CD1 3.27Å; F95-I116 HydrophobicContact CE1-CG1 4.09Å; F95-I116 HydrophobicContact CG-CD1 4.15Å; F95-I116 HydrophobicContact CZ-CD1 4.03Å; F95-I116 HydrophobicContact CZ-CG1 4.39Å
96A98.7Very high98.4Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-94.6-9.2-177.900000114.3Y86 A93 Y94 I116 L118 F119 L200Y86-A96 HydrophobicContact CD1-CB 4.22Å; Y86-A96 HydrophobicContact CE1-CB 3.48Å; Y86-A96 VanDerWaalsContact CE1-CB 3.48Å; A93-A96 PolarHBondContact O-N 2.97Å; A93-A96 VanDerWaalsContact O-N 3.14Å; Y94-A96 PolarHBondContact O-N 2.98Å; A96-I116 HydrophobicContact CB-CG2 4.27Å; A96-L118 HydrophobicContact CB-CB 4.24Å; A96-L118 HydrophobicContact CB-CD2 4.43Å; A96-L118 WeakPolarHBondContact O-CB 3.07Å; A96-L118 PolarHBondContact O-N 2.75Å; A96-F119 PolarHBondContact O-N 3.31Å; A96-L200 HydrophobicContact CB-CD1 3.85Å; A96-L200 HydrophobicContact CB-CD2 3.44Å; A96-L200 VanDerWaalsContact CB-CD2 3.44Å; A96-L200 HydrophobicContact CB-CG 4.32Å
97C98.7Very high98.3Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-73.4176.8175-62.30000112.1A93 Y94 Y99 R114 F119 G123A93-C97 PolarHBondContact O-N 3.43Å; A93-C97 PolarHBondContact O-SG 2.94Å; Y94-C97 WeakPolarHBondContact O-CB 3.43Å; Y94-C97 PolarHBondContact O-N 3.33Å; C97-Y99 WeakPolarHBondContact CB-O 3.18Å; C97-R114 WeakPolarHBondContact O-CB 3.47Å; C97-F119 CarbonylContact C-O 3.53Å; C97-F119 HydrophobicContact CB-CD1 4.23Å; C97-G123 PolarHBondContact SG-N 2.94Å
98D98.4Very high98.2Very high32 Ų3230.5 Ų30.517%0.17117%0.169CC..EExtended strand (participates in β ladder)trans-74.7-38.4168.1-76.5-10.6000111.5E113 R114 K117 F119 Q120 G121D98-E113 WeakPolarHBondContact O-CA 3.19Å; D98-R114 PolarHBondContact O-N 2.97Å; D98-K117 HydrophobicContact CB-CD 4.19Å; D98-K117 PolarHBondContact O-NZ 3.41Å; D98-K117 WeakPolarHBondContact OD1-CD 3.48Å; D98-F119 PolarHBondContact N-O 2.99Å; D98-Q120 WeakPolarHBondContact OD2-CA 3.24Å; D98-G121 WeakPolarHBondContact CB-O 3.28Å; D98-G121 PolarHBondContact N-O 3.34Å
99Y98.6Very high98.1Very high91 Ų9135 Ų3536%0.35719%0.189SC..EExtended strand (participates in β ladder)trans-137.1144.2178.8-70.4-95.8000111C97 G112 E113 G121 I122 G123C97-Y99 WeakPolarHBondContact CB-O 3.18Å; Y99-G112 WeakPolarHBondContact CA-O 2.91Å; Y99-E113 HydrophobicContact CD1-CB 4.44Å; Y99-E113 HydrophobicContact CE1-CB 4.11Å; Y99-G121 PolarHBondContact N-O 3.44Å; Y99-I122 WeakPolarHBondContact O-CA 3.46Å; Y99-G123 PolarHBondContact O-N 3.44Å
100C98.6Very high98Very high1 Ų135.9 Ų35.91%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-96.8134.6164.4-178.10000108.5D60 Y94 Y111 G112 R114D60-C100 PolarHBondContact OD2-SG 3.05Å; D60-C100 VanDerWaalsContact OD2-SG 3.41Å; Y94-C100 HydrophobicContact CD1-CB 4.37Å; Y94-C100 WeakPolarHBondContact CD1-SG 3.4Å; C100-Y111 WeakPolarHBondContact O-CA 3.25Å; C100-Y111 WeakPolarHBondContact O-CD2 3.45Å; C100-G112 PolarHBondContact N-O 2.89Å; C100-G112 PolarHBondContact O-N 2.95Å; C100-R114 HydrophobicContact CB-CG 4.34Å; C100-R114 VanDerWaalsContact CB-NH2 3.34Å
101S98.6Very high98Very high13 Ų1341.7 Ų41.79%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-132.282.3175.3169.80000107.4M104 I122 G123 S124 G125S101-M104 WeakPolarHBondContact OG-CG 3.32Å; S101-I122 VanDerWaalsContact CB-CG2 3.43Å; S101-G123 PolarHBondContact N-O 3.08Å; S101-S124 CarbonylContact O-C 3.38Å; S101-S124 VanDerWaalsContact O-CA 3.32Å; S101-S124 WeakPolarHBondContact O-CA 3.26Å; S101-G125 PolarHBondContact O-N 3.35Å
102F98.5Very high98Very high15 Ų1542.3 Ų42.37%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-105.2130.4-178.2-171.1-87.6000110.4Y94 M104 L108 E109 V110 G125 P126 F131 G162Y94-F102 HydrophobicContact CE1-CD2 4.15Å; Y94-F102 HydrophobicContact CE2-CD2 4.07Å; Y94-F102 HydrophobicContact CE2-CE2 4.44Å; Y94-F102 AromaticContact CZ-CD2 3.65Å; F102-M104 VanDerWaalsContact C-N 3.28Å; F102-M104 PolarHBondContact O-N 2.97Å; F102-L108 HydrophobicContact CD1-CB 4.43Å; F102-L108 WeakPolarHBondContact CD1-O 3.38Å; F102-L108 HydrophobicContact CE1-CB 4.01Å; F102-E109 CarbonylContact O-C 3.42Å; F102-E109 WeakPolarHBondContact O-CA 3.48Å; F102-V110 HydrophobicContact CB-CB 4.04Å; F102-V110 PolarHBondContact N-O 2.87Å; F102-V110 PolarHBondContact O-N 2.82Å; F102-G125 CarbonylContact C-O 3.51Å; F102-G125 VanDerWaalsContact CA-O 3.25Å; F102-G125 WeakPolarHBondContact CA-O 3.44Å; F102-P126 HydrophobicContact CE2-CB 4.45Å; F102-P126 HydrophobicContact CZ-CG 4.42Å; F102-F131 HydrophobicContact CE1-CD1 4.09Å; F102-F131 HydrophobicContact CE1-CE1 4.16Å; F102-F131 AromaticContact CZ-CD1 3.5Å; F102-F131 HydrophobicContact CZ-CD1 3.5Å; F102-F131 VanDerWaalsContact CZ-CD1 3.5Å; F102-F131 AromaticContact CZ-CE1 3.56Å; F102-F131 HydrophobicContact CZ-CE1 3.56Å; F102-F131 HydrophobicContact CZ-CG 4.17Å; F102-F131 HydrophobicContact CZ-CZ 4.29Å; F102-G162 WeakPolarHBondContact CE2-O 3.4Å
103D97.5Very high97.9Very high41 Ų4146.5 Ų46.522%0.21924%0.243CC..SBendtrans47.347176.3-162.440.6000113.1N105 G106 P107 L108 E109 G125D103-N105 PolarHBondContact O-N 3.26Å; D103-G106 VanDerWaalsContact O-CA 3.31Å; D103-G106 WeakPolarHBondContact O-CA 2.98Å; D103-G106 PolarHBondContact O-N 2.97Å; D103-G106 VanDerWaalsContact OD2-C 3.29Å; D103-G106 WeakPolarHBondContact OD2-CA 3.36Å; D103-P107 VanDerWaalsContact OD2-CD 3.27Å; D103-P107 WeakPolarHBondContact OD2-CD 3.29Å; D103-L108 HydrophobicContact CB-CB 4.02Å; D103-L108 WeakPolarHBondContact OD2-CA 3.49Å; D103-L108 VanDerWaalsContact OD2-CB 3.31Å; D103-L108 WeakPolarHBondContact OD2-CB 3.37Å; D103-L108 PolarHBondContact OD2-N 3.42Å; D103-E109 WeakPolarHBondContact O-CA 3.47Å; D103-E109 WeakPolarHBondContact O-CB 3.49Å; D103-G125 PolarHBondContact N-O 3.29Å
104M97.6Very high97.9Very high73 Ų7346.8 Ų46.836%0.3624%0.244SC..THydrogen-bonded Turntrans-55.8126.5-177-70.4-59.6-59.200112.1S101 F102 G106 E109 Y111S101-M104 WeakPolarHBondContact OG-CG 3.32Å; F102-M104 VanDerWaalsContact C-N 3.28Å; F102-M104 PolarHBondContact O-N 2.97Å; M104-G106 PolarHBondContact O-N 2.92Å; M104-E109 HydrophobicContact SD-CG 4.37Å; M104-Y111 HydrophobicContact CE-CD2 4.09Å; M104-Y111 HydrophobicContact CE-CG 4.09Å; M104-Y111 HydrophobicContact SD-CD2 3.67Å; M104-Y111 HydrophobicContact SD-CG 3.94Å
105N96.6Very high97.9Very high152 Ų15249 Ų4981%0.81326%0.255SS*.THydrogen-bonded Turntrans6511-172.6-42.5-79.1000114.4D103 E109D103-N105 PolarHBondContact O-N 3.26Å; N105-E109 VanDerWaalsContact CA-OE2 3.25Å; N105-E109 WeakPolarHBondContact CA-OE2 3.34Å; N105-E109 PolarHBondContact N-OE2 2.81Å
106G97Very high97.9Very high22 Ų2249 Ų4923%0.22726%0.255CS..SBendtrans-100.8172.617700000112.8D103 M104 L108 E109D103-G106 VanDerWaalsContact O-CA 3.31Å; D103-G106 WeakPolarHBondContact O-CA 2.98Å; D103-G106 PolarHBondContact O-N 2.97Å; D103-G106 VanDerWaalsContact OD2-C 3.29Å; D103-G106 WeakPolarHBondContact OD2-CA 3.36Å; M104-G106 PolarHBondContact O-N 2.92Å; G106-L108 PolarHBondContact O-N 3.06Å; G106-E109 WeakPolarHBondContact O-CB 3.44Å; G106-E109 PolarHBondContact O-N 2.88Å
107P96Very high97.8Very high130 Ų13051.3 Ų51.384%0.84427%0.265SS*.THydrogen-bonded Turntrans-68.8-16.9-177.829-35.8000114.2D103D103-P107 VanDerWaalsContact OD2-CD 3.27Å; D103-P107 WeakPolarHBondContact OD2-CD 3.29Å
108L96.2Very high97.8Very high54 Ų5451.5 Ų51.528%0.28327%0.265SS..THydrogen-bonded Turntrans-107.320.4179.7-53.5177.9000111.9F102 D103 G106 V110 F131 Y133F102-L108 HydrophobicContact CD1-CB 4.43Å; F102-L108 WeakPolarHBondContact CD1-O 3.38Å; F102-L108 HydrophobicContact CE1-CB 4.01Å; D103-L108 HydrophobicContact CB-CB 4.02Å; D103-L108 WeakPolarHBondContact OD2-CA 3.49Å; D103-L108 VanDerWaalsContact OD2-CB 3.31Å; D103-L108 WeakPolarHBondContact OD2-CB 3.37Å; D103-L108 PolarHBondContact OD2-N 3.42Å; G106-L108 PolarHBondContact O-N 3.06Å; L108-V110 PolarHBondContact O-N 2.92Å; L108-F131 HydrophobicContact CD1-CD1 3.83Å; L108-F131 HydrophobicContact CD1-CE1 4.18Å; L108-Y133 HydrophobicContact CB-CE2 4.41Å; L108-Y133 HydrophobicContact CD1-CD2 4.05Å; L108-Y133 HydrophobicContact CD1-CE2 4.05Å; L108-Y133 HydrophobicContact CD2-CD2 4.04Å; L108-Y133 HydrophobicContact CD2-CE2 4.03Å; L108-Y133 HydrophobicContact CG-CE2 4.39Å
109E97.5Very high97.8Very high93 Ų9350 Ų5044%0.43526%0.257SS..  trans-51.9124.5-173-176.1174148.500112.6F102 D103 M104 N105 G106F102-E109 CarbonylContact O-C 3.42Å; F102-E109 WeakPolarHBondContact O-CA 3.48Å; D103-E109 WeakPolarHBondContact O-CA 3.47Å; D103-E109 WeakPolarHBondContact O-CB 3.49Å; M104-E109 HydrophobicContact SD-CG 4.37Å; N105-E109 VanDerWaalsContact CA-OE2 3.25Å; N105-E109 WeakPolarHBondContact CA-OE2 3.34Å; N105-E109 PolarHBondContact N-OE2 2.81Å; G106-E109 WeakPolarHBondContact O-CB 3.44Å; G106-E109 PolarHBondContact O-N 2.88Å
110V97.7Very high97.7Very high19 Ų1950.1 Ų50.112%0.11526%0.261CS..EExtended strand (participates in β ladder)trans-130.1108.8165.9-179.10000108L61 F102 L108L61-V110 HydrophobicContact CD1-CG1 4.06Å; L61-V110 HydrophobicContact CD1-CG2 3.92Å; L61-V110 HydrophobicContact CD2-CG1 3.88Å; L61-V110 HydrophobicContact CG-CG1 3.98Å; L61-V110 HydrophobicContact CG-CG2 4.47Å; F102-V110 HydrophobicContact CB-CB 4.04Å; F102-V110 PolarHBondContact N-O 2.87Å; F102-V110 PolarHBondContact O-N 2.82Å; L108-V110 PolarHBondContact O-N 2.92Å
111Y98.2Very high97.7Very high131 Ų13150.5 Ų50.551%0.51427%0.266SS..EExtended strand (participates in β ladder)trans-119.8128.2170.3-173-112.1000110.3C100 M104C100-Y111 WeakPolarHBondContact O-CA 3.25Å; C100-Y111 WeakPolarHBondContact O-CD2 3.45Å; M104-Y111 HydrophobicContact CE-CD2 4.09Å; M104-Y111 HydrophobicContact CE-CG 4.09Å; M104-Y111 HydrophobicContact SD-CD2 3.67Å; M104-Y111 HydrophobicContact SD-CG 3.94Å
112G98Very high97.7Very high17 Ų1752.2 Ų52.218%0.17527%0.273CS..EExtended strand (participates in β ladder)trans167.3172.4173.200000115.4Y99 C100 R114Y99-G112 WeakPolarHBondContact CA-O 2.91Å; C100-G112 PolarHBondContact N-O 2.89Å; C100-G112 PolarHBondContact O-N 2.95Å; G112-R114 PolarHBondContact O-NH1 3.19Å
113E98.2Very high97.7Very high88 Ų8851.5 Ų51.541%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-67.5147.9-177.7-171.9170.9-155.300112.5D98 Y99 H115 K117D98-E113 WeakPolarHBondContact O-CA 3.19Å; Y99-E113 HydrophobicContact CD1-CB 4.44Å; Y99-E113 HydrophobicContact CE1-CB 4.11Å; E113-H115 IonicContact OE2-CE1 3.66Å; E113-K117 WeakPolarHBondContact OE1-CE 3.35Å; E113-K117 IonicContact OE1-NZ 3.77Å; E113-K117 PolarHBondContact OE1-NZ 2.87Å
114R98.5Very high97.8Very high6 Ų650.5 Ų50.52%0.02327%0.266CS..  trans-123.6147.4165.3-59.1-61.3177.8-951.1110.4D60 F95 C97 D98 C100 G112 K117D60-R114 IonicContact OD1-NH2 2.71Å; D60-R114 PolarHBondContact OD1-NH2 3.45Å; D60-R114 VanDerWaalsContact OD1-NH2 3.14Å; D60-R114 IonicContact OD2-CZ 3.14Å; D60-R114 IonicContact OD2-NE 3.1Å; D60-R114 PolarHBondContact OD2-NE 3.15Å; D60-R114 IonicContact OD2-NH2 2.76Å; D60-R114 PolarHBondContact OD2-NH2 2.86Å; F95-R114 WeakPolarHBondContact O-CB 3.4Å; C97-R114 WeakPolarHBondContact O-CB 3.47Å; D98-R114 PolarHBondContact O-N 2.97Å; C100-R114 HydrophobicContact CB-CG 4.34Å; C100-R114 VanDerWaalsContact CB-NH2 3.34Å; G112-R114 PolarHBondContact O-NH1 3.19Å; R114-K117 WeakPolarHBondContact O-CD 3.39Å; R114-K117 WeakPolarHBondContact O-CE 3.4Å; R114-K117 PolarHBondContact O-NZ 3.42Å; R114-K117 VanDerWaalsContact O-NZ 3.13Å
115H98.2Very high97.8Very high51 Ų5147.6 Ų47.624%0.23626%0.255CS..SBendtrans-105.2-2.6-166-54.3-63000114.4L69 C72 E113L69-H115 HydrophobicContact CD1-CB 3.96Å; C72-H115 HydrophobicContact CB-CB 3.67Å; E113-H115 IonicContact OE2-CE1 3.66Å
116I98.2Very high97.9Very high0 Ų041.6 Ų41.60%022%0.224CC..SBendtrans-69.2-38.8169.7-69.5-178.1000110.4V75 H76 I79 Y86 F95 A96 L118V75-I116 HydrophobicContact CB-CD1 4.15Å; V75-I116 HydrophobicContact CB-CG1 4.14Å; V75-I116 HydrophobicContact CG1-CD1 3.57Å; V75-I116 HydrophobicContact CG1-CG1 3.92Å; V75-I116 HydrophobicContact CG1-CG2 4.42Å; H76-I116 PolarHBondContact ND1-O 2.85Å; I79-I116 HydrophobicContact CD1-CG2 3.89Å; Y86-I116 HydrophobicContact CE2-CD1 3.94Å; F95-I116 HydrophobicContact CD1-CD1 3.33Å; F95-I116 HydrophobicContact CD1-CG1 4.35Å; F95-I116 HydrophobicContact CE1-CD1 3.27Å; F95-I116 HydrophobicContact CE1-CG1 4.09Å; F95-I116 HydrophobicContact CG-CD1 4.15Å; F95-I116 HydrophobicContact CZ-CD1 4.03Å; F95-I116 HydrophobicContact CZ-CG1 4.39Å; A96-I116 HydrophobicContact CB-CG2 4.27Å; I116-L118 HydrophobicContact CG2-CB 3.85Å; I116-L118 PolarHBondContact O-N 3.42Å; I116-L118 VanDerWaalsContact O-N 3.16Å
117K97.8Very high97.9Very high49 Ų4941.9 Ų41.921%0.21322%0.221CC..  trans53.237.3174.3-53.7-68-173.8-172.30113D98 E113 R114D98-K117 HydrophobicContact CB-CD 4.19Å; D98-K117 PolarHBondContact O-NZ 3.41Å; D98-K117 WeakPolarHBondContact OD1-CD 3.48Å; E113-K117 WeakPolarHBondContact OE1-CE 3.35Å; E113-K117 IonicContact OE1-NZ 3.77Å; E113-K117 PolarHBondContact OE1-NZ 2.87Å; R114-K117 WeakPolarHBondContact O-CD 3.39Å; R114-K117 WeakPolarHBondContact O-CE 3.4Å; R114-K117 PolarHBondContact O-NZ 3.42Å; R114-K117 VanDerWaalsContact O-NZ 3.13Å
118L97.8Very high97.9Very high3 Ų337 Ų372%0.01619%0.186CC..  trans-75-47.2177.6169.257.7000109.5I79 Y86 A96 I116 S191 L193 L200I79-L118 HydrophobicContact CD1-CD2 4.33Å; I79-L118 HydrophobicContact CG2-CD1 4.17Å; Y86-L118 HydrophobicContact CD1-CD2 3.69Å; Y86-L118 HydrophobicContact CG-CD2 4.02Å; A96-L118 HydrophobicContact CB-CB 4.24Å; A96-L118 HydrophobicContact CB-CD2 4.43Å; A96-L118 WeakPolarHBondContact O-CB 3.07Å; A96-L118 PolarHBondContact O-N 2.75Å; I116-L118 HydrophobicContact CG2-CB 3.85Å; I116-L118 PolarHBondContact O-N 3.42Å; I116-L118 VanDerWaalsContact O-N 3.16Å; L118-S191 PolarHBondContact O-OG 3Å; L118-L193 HydrophobicContact CD1-CB 3.68Å; L118-L200 HydrophobicContact CD2-CD2 4Å
119F98.1Very high97.8Very high0 Ų038.9 Ų38.90%020%0.202CC..EExtended strand (participates in β ladder)trans-99.9119173.9171.6-115.6000111.1A96 C97 D98 G121 F166 W171 S174 I189 L200A96-F119 PolarHBondContact O-N 3.31Å; C97-F119 CarbonylContact C-O 3.53Å; C97-F119 HydrophobicContact CB-CD1 4.23Å; D98-F119 PolarHBondContact N-O 2.99Å; F119-G121 VanDerWaalsContact C-N 3.27Å; F119-G121 VanDerWaalsContact CE1-CA 3.47Å; F119-G121 PolarHBondContact O-N 2.87Å; F119-F166 HydrophobicContact CD1-CD1 4.11Å; F119-F166 HydrophobicContact CE1-CB 3.84Å; F119-F166 HydrophobicContact CE1-CD1 4.13Å; F119-F166 HydrophobicContact CE1-CG 4.48Å; F119-F166 HydrophobicContact CZ-CB 3.84Å; F119-W171 HydrophobicContact CE2-CE3 4.19Å; F119-W171 AromaticContact CE2-CH2 3.93Å; F119-W171 HydrophobicContact CE2-CH2 3.93Å; F119-W171 HydrophobicContact CE2-CZ2 4.39Å; F119-W171 AromaticContact CE2-CZ3 3.81Å; F119-W171 HydrophobicContact CE2-CZ3 3.81Å; F119-W171 AromaticContact CZ-CH2 3.92Å; F119-W171 HydrophobicContact CZ-CH2 3.92Å; F119-W171 HydrophobicContact CZ-CZ2 4.15Å; F119-W171 HydrophobicContact CZ-CZ3 4.29Å; F119-S174 WeakPolarHBondContact CD2-OG 3.41Å; F119-I189 HydrophobicContact CB-CD1 4.16Å; F119-I189 HydrophobicContact CD1-CD1 4.18Å; F119-I189 HydrophobicContact CD2-CD1 3.35Å; F119-I189 HydrophobicContact CE1-CD1 4.41Å; F119-I189 HydrophobicContact CE2-CD1 3.66Å; F119-I189 HydrophobicContact CG-CD1 3.63Å; F119-I189 HydrophobicContact CZ-CD1 4.17Å; F119-L200 HydrophobicContact CB-CD1 3.58Å; F119-L200 HydrophobicContact CG-CD1 4.47Å
120Q97.6Very high97.6Very high94 Ų9436.8 Ų36.844%0.43921%0.205SC..EExtended strand (participates in β ladder)trans-72.381.6173.2-171-17722.900110.1D98 S168 N170D98-Q120 WeakPolarHBondContact OD2-CA 3.24Å; Q120-S168 VanDerWaalsContact O-CB 3.24Å; Q120-S168 WeakPolarHBondContact O-CB 3.13Å; Q120-S168 PolarHBondContact O-OG 2.93Å; Q120-N170 PolarHBondContact OE1-ND2 2.76Å
121G98.4Very high97.4Very high10 Ų1037.3 Ų37.310%0.10321%0.205CC..EExtended strand (participates in β ladder)trans167.1-166.9-177.800000113.5D98 Y99 F119 E167D98-G121 WeakPolarHBondContact CB-O 3.28Å; D98-G121 PolarHBondContact N-O 3.34Å; Y99-G121 PolarHBondContact N-O 3.44Å; F119-G121 VanDerWaalsContact C-N 3.27Å; F119-G121 VanDerWaalsContact CE1-CA 3.47Å; F119-G121 PolarHBondContact O-N 2.87Å; G121-E167 CarbonylContact C-O 3.46Å; G121-E167 VanDerWaalsContact CA-O 3.28Å; G121-E167 WeakPolarHBondContact CA-O 3.43Å
122I98.7Very high97.2Very high48 Ų4835.5 Ų35.525%0.24620%0.202CC..EExtended strand (participates in β ladder)trans-108.2128.3-173.6-51.7177.1000109.3Y99 S101 E167Y99-I122 WeakPolarHBondContact O-CA 3.46Å; S101-I122 VanDerWaalsContact CB-CG2 3.43Å; I122-E167 HydrophobicContact CB-CB 4.42Å; I122-E167 PolarHBondContact N-O 2.95Å; I122-E167 PolarHBondContact O-N 3.02Å
123G98.8Very high96.8Very high0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-81.9108.5160.400000108.6Y94 C97 Y99 S101Y94-G123 VanDerWaalsContact CD1-O 3.31Å; Y94-G123 WeakPolarHBondContact CD1-O 3.49Å; Y94-G123 VanDerWaalsContact CE1-O 3.3Å; Y94-G123 WeakPolarHBondContact CE1-O 3.15Å; C97-G123 PolarHBondContact SG-N 2.94Å; Y99-G123 PolarHBondContact O-N 3.44Å; S101-G123 PolarHBondContact N-O 3.08Å
124S98.7Very high96.3Very high20 Ų2043.1 Ų43.114%0.1424%0.235CC..EExtended strand (participates in β ladder)trans-113.1125.6-171.8-177.30000110.6S101 C164 T165 E167S101-S124 CarbonylContact O-C 3.38Å; S101-S124 VanDerWaalsContact O-CA 3.32Å; S101-S124 WeakPolarHBondContact O-CA 3.26Å; S124-C164 CarbonylContact O-C 3.49Å; S124-C164 VanDerWaalsContact O-CA 3.23Å; S124-C164 WeakPolarHBondContact O-CA 3.35Å; S124-T165 PolarHBondContact N-O 2.97Å; S124-T165 WeakPolarHBondContact O-CG2 3.45Å; S124-T165 PolarHBondContact O-N 2.8Å; S124-E167 WeakPolarHBondContact CB-OE1 3.17Å; S124-E167 PolarHBondContact OG-OE1 3.25Å; S124-E167 VanDerWaalsContact OG-OE1 3.04Å
125G98.4Very high95.8Very high12 Ų1244.4 Ų44.412%0.12425%0.245CC..EExtended strand (participates in β ladder)trans-177.3-163.117500000112.8Y94 S101 F102 D103Y94-G125 VanDerWaalsContact OH-CA 3.27Å; Y94-G125 WeakPolarHBondContact OH-CA 3.47Å; S101-G125 PolarHBondContact O-N 3.35Å; F102-G125 CarbonylContact C-O 3.51Å; F102-G125 VanDerWaalsContact CA-O 3.25Å; F102-G125 WeakPolarHBondContact CA-O 3.44Å; D103-G125 PolarHBondContact N-O 3.29Å
126P98.1Very high95.4Very high26 Ų2642.9 Ų42.917%0.16924%0.238CC..  cis-61.2136.4-4.929.7-36.6000110.8F102 F128 F131 Y160 G163F102-P126 HydrophobicContact CE2-CB 4.45Å; F102-P126 HydrophobicContact CZ-CG 4.42Å; P126-F128 VanDerWaalsContact C-N 3.34Å; P126-F128 PolarHBondContact O-N 3.04Å; P126-F131 HydrophobicContact CB-CB 4.14Å; P126-F131 HydrophobicContact CG-CB 4Å; P126-Y160 WeakPolarHBondContact CB-OH 3.39Å; P126-G163 WeakPolarHBondContact CA-O 3.45Å
127I97.2Very high94.8Very high29 Ų2946.2 Ų46.215%0.14926%0.256CS..SBendtrans-71.1-29.3-175.9-165.856.7000113.2Y160 G163 T165 Y180I127-Y160 HydrophobicContact CG2-CD2 4.37Å; I127-Y160 HydrophobicContact CG2-CE2 3.47Å; I127-Y160 VanDerWaalsContact CG2-CE2 3.47Å; I127-Y160 PolarHBondContact N-OH 3.24Å; I127-G163 PolarHBondContact N-O 2.98Å; I127-T165 HydrophobicContact CD1-CG2 3.62Å; I127-T165 HydrophobicContact CG1-CG2 4.43Å; I127-Y180 HydrophobicContact CB-CE2 4.4Å; I127-Y180 HydrophobicContact CG1-CD2 4.27Å; I127-Y180 HydrophobicContact CG1-CE2 4.21Å; I127-Y180 HydrophobicContact CG2-CD2 4.4Å; I127-Y180 HydrophobicContact CG2-CE1 3.96Å; I127-Y180 HydrophobicContact CG2-CE2 3.87Å
128F96.1Very high94.4Very high26 Ų2644.6 Ų44.611%0.11425%0.253CS..SBendtrans-108.2142168.8-59.4-78.6000109.8P126 Y140 V142 Y160 Y180 D182P126-F128 VanDerWaalsContact C-N 3.34Å; P126-F128 PolarHBondContact O-N 3.04Å; F128-Y140 HydrophobicContact CB-CD2 4.04Å; F128-Y140 HydrophobicContact CB-CE2 3.89Å; F128-V142 HydrophobicContact CD2-CG1 4.01Å; F128-V142 HydrophobicContact CE2-CB 4.23Å; F128-V142 HydrophobicContact CE2-CG1 3.59Å; F128-V142 HydrophobicContact CZ-CG1 4.05Å; F128-Y160 HydrophobicContact CB-CD1 4.35Å; F128-Y160 HydrophobicContact CB-CE1 3.68Å; F128-Y160 AromaticContact CD2-CD1 3.86Å; F128-Y160 HydrophobicContact CD2-CD1 3.86Å; F128-Y160 AromaticContact CD2-CD2 3.99Å; F128-Y160 HydrophobicContact CD2-CD2 3.99Å; F128-Y160 AromaticContact CD2-CE1 3.72Å; F128-Y160 HydrophobicContact CD2-CE1 3.72Å; F128-Y160 AromaticContact CD2-CE2 3.83Å; F128-Y160 HydrophobicContact CD2-CE2 3.83Å; F128-Y160 AromaticContact CD2-CG 3.99Å; F128-Y160 HydrophobicContact CD2-CG 3.99Å; F128-Y160 AromaticContact CD2-CZ 3.68Å; F128-Y160 HydrophobicContact CE2-CD2 4.38Å; F128-Y160 HydrophobicContact CE2-CE2 4.48Å; F128-Y160 HydrophobicContact CG-CE1 4.19Å; F128-Y160 PolarHBondContact N-OH 3.19Å; F128-Y160 PolarHBondContact O-OH 3.11Å; F128-Y180 AromaticContact CE2-CD1 3.62Å; F128-Y180 HydrophobicContact CE2-CD1 3.62Å; F128-Y180 AromaticContact CE2-CE1 3.83Å; F128-Y180 HydrophobicContact CE2-CE1 3.83Å; F128-Y180 HydrophobicContact CE2-CG 4.37Å; F128-Y180 HydrophobicContact CZ-CD1 4.02Å; F128-Y180 HydrophobicContact CZ-CG 4.48Å; F128-D182 HydrophobicContact CE1-CB 4.27Å; F128-D182 WeakPolarHBondContact CE1-OD2 3.27Å; F128-D182 HydrophobicContact CZ-CB 4.47Å
129P93.6Very high94.2Very high95 Ų9545 Ų4562%0.61726%0.256SS*.SBendtrans-73.6169.5-173.632.3-37.5000112.8Y140P129-Y140 PolarHBondContact O-OH 2.93Å
130G93.1Very high94Very high48 Ų4849.6 Ų49.650%0.49527%0.274SS..  trans89.35.4168.100000115.5Q132 N137 G138G130-Q132 PolarHBondContact O-N 2.63Å; G130-N137 CarbonylContact O-C 3.6Å; G130-G138 WeakPolarHBondContact O-CA 3.31Å; G130-G138 PolarHBondContact O-N 3.5Å
131F94.4Very high94Very high30 Ų3046.6 Ų46.613%0.13227%0.266CS..  trans-53.1134.9175.6176.6-99.8000111.9F102 L108 P126 Y133 N161F102-F131 HydrophobicContact CE1-CD1 4.09Å; F102-F131 HydrophobicContact CE1-CE1 4.16Å; F102-F131 AromaticContact CZ-CD1 3.5Å; F102-F131 HydrophobicContact CZ-CD1 3.5Å; F102-F131 VanDerWaalsContact CZ-CD1 3.5Å; F102-F131 AromaticContact CZ-CE1 3.56Å; F102-F131 HydrophobicContact CZ-CE1 3.56Å; F102-F131 HydrophobicContact CZ-CG 4.17Å; F102-F131 HydrophobicContact CZ-CZ 4.29Å; L108-F131 HydrophobicContact CD1-CD1 3.83Å; L108-F131 HydrophobicContact CD1-CE1 4.18Å; P126-F131 HydrophobicContact CB-CB 4.14Å; P126-F131 HydrophobicContact CG-CB 4Å; F131-Y133 AromaticContact CE1-CD1 3.89Å; F131-Y133 HydrophobicContact CE1-CD1 3.89Å; F131-Y133 HydrophobicContact CE1-CD2 4.07Å; F131-Y133 AromaticContact CE1-CE1 3.89Å; F131-Y133 HydrophobicContact CE1-CE1 3.89Å; F131-Y133 HydrophobicContact CE1-CE2 4.08Å; F131-Y133 AromaticContact CE1-CG 3.98Å; F131-Y133 HydrophobicContact CE1-CG 3.98Å; F131-Y133 AromaticContact CZ-CD1 3.81Å; F131-Y133 HydrophobicContact CZ-CD1 3.81Å; F131-Y133 AromaticContact CZ-CE1 3.93Å; F131-Y133 HydrophobicContact CZ-CE1 3.93Å; F131-Y133 HydrophobicContact CZ-CG 4.25Å; F131-N161 WeakPolarHBondContact CD2-OD1 3.35Å; F131-N161 VanDerWaalsContact CE2-OD1 3.3Å; F131-N161 WeakPolarHBondContact CE2-OD1 3.32Å
132Q92.6Very high94Very high94 Ų9446.3 Ų46.344%0.43926%0.262SS..  trans-137.4130.5170.8-66.6178.85.900109.5G130 S135 N137G130-Q132 PolarHBondContact O-N 2.63Å; Q132-S135 PolarHBondContact O-N 3.28Å; Q132-N137 HydrophobicContact CB-CB 4.23Å; Q132-N137 HydrophobicContact CG-CB 4.15Å; Q132-N137 PolarHBondContact N-O 3.1Å; Q132-N137 PolarHBondContact OE1-ND2 3.25Å
133Y89.8Confident93.9Very high89 Ų8945.9 Ų45.935%0.34926%0.263SS..THydrogen-bonded Turntrans-55.3144.3173.3-76.2-69.5000111.5L108 F131 S135L108-Y133 HydrophobicContact CB-CE2 4.41Å; L108-Y133 HydrophobicContact CD1-CD2 4.05Å; L108-Y133 HydrophobicContact CD1-CE2 4.05Å; L108-Y133 HydrophobicContact CD2-CD2 4.04Å; L108-Y133 HydrophobicContact CD2-CE2 4.03Å; L108-Y133 HydrophobicContact CG-CE2 4.39Å; F131-Y133 AromaticContact CE1-CD1 3.89Å; F131-Y133 HydrophobicContact CE1-CD1 3.89Å; F131-Y133 HydrophobicContact CE1-CD2 4.07Å; F131-Y133 AromaticContact CE1-CE1 3.89Å; F131-Y133 HydrophobicContact CE1-CE1 3.89Å; F131-Y133 HydrophobicContact CE1-CE2 4.08Å; F131-Y133 AromaticContact CE1-CG 3.98Å; F131-Y133 HydrophobicContact CE1-CG 3.98Å; F131-Y133 AromaticContact CZ-CD1 3.81Å; F131-Y133 HydrophobicContact CZ-CD1 3.81Å; F131-Y133 AromaticContact CZ-CE1 3.93Å; F131-Y133 HydrophobicContact CZ-CE1 3.93Å; F131-Y133 HydrophobicContact CZ-CG 4.25Å; Y133-S135 PolarHBondContact O-N 3.16Å; Y133-S135 VanDerWaalsContact O-N 3.14Å
134N87.5Confident93.9Very high176 Ų17645.9 Ų45.994%0.94126%0.263SS*.THydrogen-bonded Turntrans5628175.9-52.1-46.7000113.8
135S88.9Confident93.9Very high33 Ų3349.6 Ų49.623%0.23128%0.278CS..SBendtrans-141.3156.4-178.2-173.80000110.7Q132 Y133 N137 N161Q132-S135 PolarHBondContact O-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.16Å; Y133-S135 VanDerWaalsContact O-N 3.14Å; S135-N137 VanDerWaalsContact C-N 3.29Å; S135-N137 WeakPolarHBondContact OG-CB 3.42Å; S135-N137 PolarHBondContact OG-N 3.33Å; S135-N161 PolarHBondContact O-ND2 3.15Å
136E90.1Very high93.9Very high18 Ų1849.3 Ų49.38%0.08428%0.275CS..SBendtrans-89.30.8167.4-56.7-56.1145.600111.8K17 G138 S139 Y159 L216K17-E136 IonicContact NZ-OE1 2.67Å; K17-E136 PolarHBondContact NZ-OE1 2.99Å; K17-E136 VanDerWaalsContact NZ-OE1 3.11Å; E136-G138 PolarHBondContact O-N 3.17Å; E136-S139 VanDerWaalsContact O-CB 3.22Å; E136-S139 WeakPolarHBondContact O-CB 3.35Å; E136-S139 PolarHBondContact O-N 3.4Å; E136-S139 PolarHBondContact O-OG 3.5Å; E136-Y159 WeakPolarHBondContact OE2-CE2 3.35Å; E136-Y159 PolarHBondContact OE2-OH 3.1Å; E136-L216 HydrophobicContact CG-CD1 3.82Å; E136-L216 HydrophobicContact CG-CD2 3.41Å; E136-L216 VanDerWaalsContact CG-CD2 3.41Å; E136-L216 HydrophobicContact CG-CG 4.26Å
137N86Confident93.9Very high71 Ų7151.9 Ų51.938%0.3829%0.29SS..THydrogen-bonded Turntrans-61.5126.2169.3-72.5-13.7000109.6G130 Q132 S135 S139G130-N137 CarbonylContact O-C 3.6Å; Q132-N137 HydrophobicContact CB-CB 4.23Å; Q132-N137 HydrophobicContact CG-CB 4.15Å; Q132-N137 PolarHBondContact N-O 3.1Å; Q132-N137 PolarHBondContact OE1-ND2 3.25Å; S135-N137 VanDerWaalsContact C-N 3.29Å; S135-N137 WeakPolarHBondContact OG-CB 3.42Å; S135-N137 PolarHBondContact OG-N 3.33Å; N137-S139 VanDerWaalsContact C-N 3.29Å
138G89.1Confident93.7Very high14 Ų1452.8 Ų52.814%0.14430%0.299CS..THydrogen-bonded Turntrans80.29.4-173.400000114G130 E136 Y140G130-G138 WeakPolarHBondContact O-CA 3.31Å; G130-G138 PolarHBondContact O-N 3.5Å; E136-G138 PolarHBondContact O-N 3.17Å; G138-Y140 WeakPolarHBondContact O-CD2 3.23Å; G138-Y140 WeakPolarHBondContact O-CE2 3.25Å
139S93.3Very high93.6Very high13 Ų1360.3 Ų60.39%0.09133%0.331CS..  trans-81.8145.1166.172.60000111.2E136 N137 Y160E136-S139 VanDerWaalsContact O-CB 3.22Å; E136-S139 WeakPolarHBondContact O-CB 3.35Å; E136-S139 PolarHBondContact O-N 3.4Å; E136-S139 PolarHBondContact O-OG 3.5Å; N137-S139 VanDerWaalsContact C-N 3.29Å; S139-Y160 WeakPolarHBondContact CA-O 3.27Å
140Y94Very high93.5Very high95 Ų9562.6 Ų62.637%0.37334%0.338SS..EExtended strand (participates in β ladder)trans-142.8151.1-176.3-63.1-85.8000110.7F128 P129 G138 Y160F128-Y140 HydrophobicContact CB-CD2 4.04Å; F128-Y140 HydrophobicContact CB-CE2 3.89Å; P129-Y140 PolarHBondContact O-OH 2.93Å; G138-Y140 WeakPolarHBondContact O-CD2 3.23Å; G138-Y140 WeakPolarHBondContact O-CE2 3.25Å; Y140-Y160 AromaticContact CD2-CD1 3.89Å; Y140-Y160 HydrophobicContact CD2-CD1 3.89Å; Y140-Y160 HydrophobicContact CD2-CE1 4.22Å; Y140-Y160 PolarHBondContact N-O 3.36Å; Y140-Y160 PolarHBondContact O-N 3.47Å
141A97Very high93.6Very high31 Ų3160.7 Ų60.726%0.25632%0.317SS..EExtended strand (participates in β ladder)trans-86.5104.5158.100000107.7I157 T238 L239A141-I157 HydrophobicContact CB-CG2 3.83Å; A141-T238 HydrophobicContact CB-CG2 3.87Å; A141-L239 HydrophobicContact CB-CD2 3.76Å; A141-L239 HydrophobicContact CB-CG 3.95Å
142V97.5Very high93.7Very high5 Ų563.9 Ų63.93%0.0333%0.334CS..EExtended strand (participates in β ladder)trans-105.4138.6-173.5-60.10000111F128 I157 V158 Y160 V203F128-V142 HydrophobicContact CD2-CG1 4.01Å; F128-V142 HydrophobicContact CE2-CB 4.23Å; F128-V142 HydrophobicContact CE2-CG1 3.59Å; F128-V142 HydrophobicContact CZ-CG1 4.05Å; V142-I157 CarbonylContact O-C 3.53Å; V142-I157 VanDerWaalsContact O-CA 3.31Å; V142-I157 WeakPolarHBondContact O-CA 3.22Å; V142-V158 HydrophobicContact CG2-CG2 3.83Å; V142-V158 PolarHBondContact N-O 3.29Å; V142-V158 PolarHBondContact O-N 2.89Å; V142-Y160 HydrophobicContact CG1-CG 4.11Å; V142-Y160 HydrophobicContact CG2-CG 4.48Å; V142-V203 HydrophobicContact CG2-CG1 3.69Å
143S98.4Very high94Very high38 Ų3860.1 Ų60.127%0.26632%0.318SS..EExtended strand (participates in β ladder)trans-82.8131.9171.3179.40000110.2A156 S181S143-A156 WeakPolarHBondContact CA-O 3.31Å; S143-S181 WeakPolarHBondContact O-CB 3.44Å; S143-S181 PolarHBondContact O-N 3.45Å; S143-S181 PolarHBondContact O-OG 3.39Å; S143-S181 PolarHBondContact OG-OG 3.25Å
144I98.8Very high94.4Very high0 Ų059.7 Ų59.70%032%0.319CS..EExtended strand (participates in β ladder)trans-119.3150.5168.666.1171000110.4T155 A156 V158 Y178 T179 Y180 A187 I188 V203 L249I144-T155 VanDerWaalsContact O-CA 3.24Å; I144-T155 WeakPolarHBondContact O-CA 3.27Å; I144-A156 HydrophobicContact CD1-CB 4.46Å; I144-A156 HydrophobicContact CG1-CB 4.06Å; I144-A156 PolarHBondContact N-O 2.89Å; I144-A156 PolarHBondContact O-N 3.29Å; I144-V158 HydrophobicContact CD1-CG2 4.37Å; I144-V158 HydrophobicContact CG1-CG2 4.45Å; I144-V158 HydrophobicContact CG2-CG2 4.19Å; I144-Y178 HydrophobicContact CB-CD1 4.44Å; I144-Y178 HydrophobicContact CD1-CD1 3.77Å; I144-Y178 HydrophobicContact CD1-CG 3.93Å; I144-Y178 HydrophobicContact CG1-CD1 3.93Å; I144-Y178 HydrophobicContact CG1-CG 4.47Å; I144-T179 CarbonylContact C-O 3.54Å; I144-T179 WeakPolarHBondContact CA-O 3.49Å; I144-T179 WeakPolarHBondContact CB-O 3.45Å; I144-Y180 HydrophobicContact CG2-CD1 4.38Å; I144-A187 HydrophobicContact CG2-CB 3.88Å; I144-I188 HydrophobicContact CD1-CD1 3.69Å; I144-I188 HydrophobicContact CD1-CG1 4.36Å; I144-V203 HydrophobicContact CD1-CG2 4.22Å; I144-V203 HydrophobicContact CG2-CG1 4.04Å; I144-V203 HydrophobicContact CG2-CG2 4.38Å; I144-L249 HydrophobicContact CD1-CD1 4.39Å; I144-L249 HydrophobicContact CD1-CD2 3.6Å
145Q98.6Very high94.9Very high98 Ų9855 Ų5546%0.45830%0.297SS..EExtended strand (participates in β ladder)trans-126.9133.8-178-177.6174.3-4.700111.2Q154 T155 Y178 T179Q145-Q154 WeakPolarHBondContact CA-O 3.31Å; Q145-T155 HydrophobicContact CB-CG2 4.41Å; Q145-T155 HydrophobicContact CG-CG2 4.26Å; Q145-Y178 VanDerWaalsContact C-CD1 3.47Å; Q145-Y178 CarbonylContact O-C 3.59Å; Q145-Y178 WeakPolarHBondContact O-CA 3.45Å; Q145-T179 PolarHBondContact N-O 3.02Å; Q145-T179 PolarHBondContact O-N 3.09Å
146A98.3Very high95.4Very high6 Ų653.5 Ų53.55%0.0529%0.286CS..EExtended strand (participates in β ladder)trans-66.1138.5174.900000110.9S148 L151 Q154 L177 Y178A146-S148 VanDerWaalsContact C-N 3.35Å; A146-L151 HydrophobicContact CB-CB 3.85Å; A146-L151 HydrophobicContact CB-CD1 4.35Å; A146-Q154 PolarHBondContact N-O 2.98Å; A146-L177 WeakPolarHBondContact CA-O 3.39Å; A146-Y178 HydrophobicContact CB-CD1 4.06Å; A146-Y178 HydrophobicContact CB-CE1 3.62Å; A146-Y178 VanDerWaalsContact N-CD1 3.32Å
147V96.9Very high95.8Very high80 Ų8054.6 Ų54.649%0.48529%0.293SS..SBendtrans-82.3-16.3175.2-55.40000113.2I176 L177 T179V147-I176 HydrophobicContact CG1-CB 4.21Å; V147-I176 HydrophobicContact CG1-CG2 3.65Å; V147-I176 WeakPolarHBondContact CG2-O 3.48Å; V147-L177 PolarHBondContact N-O 3.32Å; V147-T179 HydrophobicContact CG1-CG2 3.87Å
148S94.3Very high96.4Very high48 Ų4851.2 Ų51.234%0.33628%0.275SS..SBendtrans-125.9142.9-178.5176.30000111.2A146 N150 L151 Q154A146-S148 VanDerWaalsContact C-N 3.35Å; S148-N150 PolarHBondContact O-N 3.31Å; S148-N150 PolarHBondContact OG-N 3.15Å; S148-L151 PolarHBondContact O-N 3.44Å; S148-Q154 PolarHBondContact O-NE2 3.43Å
149K93.7Very high96.8Very high184 Ų18450.7 Ų50.780%0.827%0.268SS*.THydrogen-bonded Turntrans-64.2-19177.2-65.5-177.5-179.4178.90113.6L151 Q154K149-L151 VanDerWaalsContact C-N 3.34Å; K149-Q154 PolarHBondContact O-NE2 3.49Å
150N92.1Very high97Very high143 Ų14350 Ų5077%0.76526%0.264SS*.THydrogen-bonded Turntrans-81.7-15.1-178.7-64.1-21.5000113S148S148-N150 PolarHBondContact O-N 3.31Å; S148-N150 PolarHBondContact OG-N 3.15Å
151L95.1Very high97.2Very high8 Ų846.4 Ų46.44%0.04225%0.251CS..SBendtrans-85.3129.2177.7-65.9172000109.8A146 S148 K149 P153 Q154 L177 Y178 T252 L256A146-L151 HydrophobicContact CB-CB 3.85Å; A146-L151 HydrophobicContact CB-CD1 4.35Å; S148-L151 PolarHBondContact O-N 3.44Å; K149-L151 VanDerWaalsContact C-N 3.34Å; L151-P153 CarbonylContact O-C 3.4Å; L151-Q154 PolarHBondContact O-NE2 2.94Å; L151-L177 HydrophobicContact CD1-CB 4.07Å; L151-L177 HydrophobicContact CD1-CD2 4.16Å; L151-L177 WeakPolarHBondContact CD1-O 3.32Å; L151-L177 HydrophobicContact CD2-CD2 4.46Å; L151-Y178 HydrophobicContact CB-CE2 4.35Å; L151-Y178 HydrophobicContact CD1-CE2 4.15Å; L151-T252 HydrophobicContact CD2-CG2 4.43Å; L151-L256 HydrophobicContact CD2-CD1 3.59Å
152I96.1Very high97.2Very high97 Ų9745 Ų4550%0.49724%0.239SC..SBendtrans-121.7128.8179.7-57.8178.7000107.8K248 T252I152-K248 HydrophobicContact CG2-CG 3.91Å; I152-T252 WeakPolarHBondContact O-CB 3.44Å; I152-T252 WeakPolarHBondContact O-CG2 3.44Å; I152-T252 PolarHBondContact O-OG1 2.86Å
153P98.2Very high97.2Very high16 Ų1644.7 Ų44.710%0.10424%0.237CC..SBendcis-77.4160.82.837.3-39.7000112L151 T155 A156 Y178 S245 L249L151-P153 CarbonylContact O-C 3.4Å; P153-T155 VanDerWaalsContact C-N 3.28Å; P153-T155 VanDerWaalsContact CB-O 3.23Å; P153-T155 WeakPolarHBondContact CB-O 3.36Å; P153-T155 VanDerWaalsContact CG-O 3.29Å; P153-T155 WeakPolarHBondContact CG-O 3.3Å; P153-A156 HydrophobicContact CG-CB 3.98Å; P153-Y178 VanDerWaalsContact O-CE1 3.28Å; P153-Y178 WeakPolarHBondContact O-CE1 3.4Å; P153-Y178 PolarHBondContact O-OH 2.63Å; P153-S245 WeakPolarHBondContact CG-O 3.28Å; P153-L249 HydrophobicContact CG-CB 4.18Å
154Q98.2Very high97.2Very high80 Ų8042.9 Ų42.937%0.37423%0.225SC..SBendtrans-70.1-28173.2-74.7-68.4-72.200112.2Q145 A146 S148 K149 L151Q145-Q154 WeakPolarHBondContact CA-O 3.31Å; A146-Q154 PolarHBondContact N-O 2.98Å; S148-Q154 PolarHBondContact O-NE2 3.43Å; K149-Q154 PolarHBondContact O-NE2 3.49Å; L151-Q154 PolarHBondContact O-NE2 2.94Å
155T98.5Very high97.2Very high76 Ų7642.9 Ų42.947%0.46623%0.225SC..EExtended strand (participates in β ladder)trans-139.3149.517256.50000110I144 Q145 P153I144-T155 VanDerWaalsContact O-CA 3.24Å; I144-T155 WeakPolarHBondContact O-CA 3.27Å; Q145-T155 HydrophobicContact CB-CG2 4.41Å; Q145-T155 HydrophobicContact CG-CG2 4.26Å; P153-T155 VanDerWaalsContact C-N 3.28Å; P153-T155 VanDerWaalsContact CB-O 3.23Å; P153-T155 WeakPolarHBondContact CB-O 3.36Å; P153-T155 VanDerWaalsContact CG-O 3.29Å; P153-T155 WeakPolarHBondContact CG-O 3.3Å
156A98.6Very high97.3Very high2 Ų238.4 Ų38.42%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-143.7146.4172.100000109.5S143 I144 P153 V158 L249S143-A156 WeakPolarHBondContact CA-O 3.31Å; I144-A156 HydrophobicContact CD1-CB 4.46Å; I144-A156 HydrophobicContact CG1-CB 4.06Å; I144-A156 PolarHBondContact N-O 2.89Å; I144-A156 PolarHBondContact O-N 3.29Å; P153-A156 HydrophobicContact CG-CB 3.98Å; A156-V158 HydrophobicContact CB-CG1 4.08Å; A156-L249 HydrophobicContact CB-CB 4.45Å; A156-L249 HydrophobicContact CB-CD2 4.01Å
157I98.5Very high97.3Very high42 Ų4241.4 Ų41.422%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-104.3121.6167.9-61.4179.3000107.3A141 V142 T238 L239 N242A141-I157 HydrophobicContact CB-CG2 3.83Å; V142-I157 CarbonylContact O-C 3.53Å; V142-I157 VanDerWaalsContact O-CA 3.31Å; V142-I157 WeakPolarHBondContact O-CA 3.22Å; I157-T238 HydrophobicContact CG2-CG2 4.14Å; I157-L239 HydrophobicContact CG2-CD2 4.39Å; I157-N242 HydrophobicContact CB-CB 3.8Å
158V98.3Very high97.3Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-132.6157.3-169.2-64.90000110.9V142 I144 A156 V203 F205 L239 R246 L249V142-V158 HydrophobicContact CG2-CG2 3.83Å; V142-V158 PolarHBondContact N-O 3.29Å; V142-V158 PolarHBondContact O-N 2.89Å; I144-V158 HydrophobicContact CD1-CG2 4.37Å; I144-V158 HydrophobicContact CG1-CG2 4.45Å; I144-V158 HydrophobicContact CG2-CG2 4.19Å; A156-V158 HydrophobicContact CB-CG1 4.08Å; V158-V203 HydrophobicContact CG2-CB 3.6Å; V158-V203 HydrophobicContact CG2-CG1 3.9Å; V158-V203 HydrophobicContact CG2-CG2 3.82Å; V158-F205 HydrophobicContact CG1-CB 4.25Å; V158-L239 VanDerWaalsContact C-CD2 3.4Å; V158-R246 HydrophobicContact CG1-CB 4.48Å; V158-R246 HydrophobicContact CG1-CG 4.25Å; V158-L249 HydrophobicContact CG1-CD2 3.78Å
159Y98.3Very high97.4Very high2 Ų245.7 Ų45.71%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-68.4140.1174.6177.3-106.3000109.4E136 N161 H204 Y207 L212 F235 L239E136-Y159 WeakPolarHBondContact OE2-CE2 3.35Å; E136-Y159 PolarHBondContact OE2-OH 3.1Å; Y159-N161 HydrophobicContact CE1-CB 3.67Å; Y159-N161 WeakPolarHBondContact OH-CB 3.3Å; Y159-N161 PolarHBondContact OH-ND2 3.12Å; Y159-H204 HydrophobicContact CD1-CB 3.54Å; Y159-H204 AromaticContact CD1-CG 3.97Å; Y159-H204 HydrophobicContact CE1-CB 4.36Å; Y159-H204 HydrophobicContact CG-CB 4.39Å; Y159-H204 WeakPolarHBondContact O-CA 3.44Å; Y159-H204 WeakPolarHBondContact O-CB 3.49Å; Y159-H204 PolarHBondContact O-N 3.32Å; Y159-Y207 AromaticContact CD1-CD1 3.43Å; Y159-Y207 HydrophobicContact CD1-CD1 3.43Å; Y159-Y207 VanDerWaalsContact CD1-CD1 3.43Å; Y159-Y207 AromaticContact CD1-CD2 3.86Å; Y159-Y207 HydrophobicContact CD1-CD2 3.86Å; Y159-Y207 AromaticContact CD1-CE1 3.64Å; Y159-Y207 HydrophobicContact CD1-CE1 3.64Å; Y159-Y207 HydrophobicContact CD1-CE2 4.04Å; Y159-Y207 AromaticContact CD1-CG 3.52Å; Y159-Y207 HydrophobicContact CD1-CG 3.52Å; Y159-Y207 AromaticContact CD1-CZ 3.93Å; Y159-Y207 HydrophobicContact CD2-CD1 4.49Å; Y159-Y207 AromaticContact CE1-CD1 3.69Å; Y159-Y207 HydrophobicContact CE1-CD1 3.69Å; Y159-Y207 HydrophobicContact CE1-CD2 4.35Å; Y159-Y207 AromaticContact CE1-CE1 3.37Å; Y159-Y207 HydrophobicContact CE1-CE1 3.37Å; Y159-Y207 HydrophobicContact CE1-CE2 4.09Å; Y159-Y207 HydrophobicContact CE1-CG 4.16Å; Y159-Y207 AromaticContact CE1-CZ 3.58Å; Y159-Y207 AromaticContact CG-CD1 3.91Å; Y159-Y207 HydrophobicContact CG-CD1 3.91Å; Y159-Y207 HydrophobicContact CG-CE1 4.44Å; Y159-Y207 HydrophobicContact CG-CG 4.06Å; Y159-Y207 AromaticContact CZ-CE1 3.9Å; Y159-L212 HydrophobicContact CD2-CD2 3.88Å; Y159-L212 HydrophobicContact CE2-CD2 3.96Å; Y159-F235 AromaticContact CD2-CE2 3.98Å; Y159-F235 HydrophobicContact CD2-CE2 3.98Å; Y159-F235 HydrophobicContact CE2-CE2 4.04Å; Y159-F235 HydrophobicContact CE2-CZ 4.3Å; Y159-L239 HydrophobicContact CD2-CD1 4.09Å
160Y98.2Very high97.3Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-131.1137.2172.8166.8-83.2000109P126 I127 F128 S139 Y140 V142 G163 Y180 V203P126-Y160 WeakPolarHBondContact CB-OH 3.39Å; I127-Y160 HydrophobicContact CG2-CD2 4.37Å; I127-Y160 HydrophobicContact CG2-CE2 3.47Å; I127-Y160 VanDerWaalsContact CG2-CE2 3.47Å; I127-Y160 PolarHBondContact N-OH 3.24Å; F128-Y160 HydrophobicContact CB-CD1 4.35Å; F128-Y160 HydrophobicContact CB-CE1 3.68Å; F128-Y160 AromaticContact CD2-CD1 3.86Å; F128-Y160 HydrophobicContact CD2-CD1 3.86Å; F128-Y160 AromaticContact CD2-CD2 3.99Å; F128-Y160 HydrophobicContact CD2-CD2 3.99Å; F128-Y160 AromaticContact CD2-CE1 3.72Å; F128-Y160 HydrophobicContact CD2-CE1 3.72Å; F128-Y160 AromaticContact CD2-CE2 3.83Å; F128-Y160 HydrophobicContact CD2-CE2 3.83Å; F128-Y160 AromaticContact CD2-CG 3.99Å; F128-Y160 HydrophobicContact CD2-CG 3.99Å; F128-Y160 AromaticContact CD2-CZ 3.68Å; F128-Y160 HydrophobicContact CE2-CD2 4.38Å; F128-Y160 HydrophobicContact CE2-CE2 4.48Å; F128-Y160 HydrophobicContact CG-CE1 4.19Å; F128-Y160 PolarHBondContact N-OH 3.19Å; F128-Y160 PolarHBondContact O-OH 3.11Å; S139-Y160 WeakPolarHBondContact CA-O 3.27Å; Y140-Y160 AromaticContact CD2-CD1 3.89Å; Y140-Y160 HydrophobicContact CD2-CD1 3.89Å; Y140-Y160 HydrophobicContact CD2-CE1 4.22Å; Y140-Y160 PolarHBondContact N-O 3.36Å; Y140-Y160 PolarHBondContact O-N 3.47Å; V142-Y160 HydrophobicContact CG1-CG 4.11Å; V142-Y160 HydrophobicContact CG2-CG 4.48Å; Y160-G163 VanDerWaalsContact CE2-CA 3.43Å; Y160-G163 VanDerWaalsContact CZ-N 3.35Å; Y160-G163 PolarHBondContact OH-N 2.99Å; Y160-G163 PolarHBondContact OH-O 3.34Å; Y160-Y180 HydrophobicContact CD2-CE1 4.22Å; Y160-V203 HydrophobicContact CD2-CG1 4.39Å
161N97Very high97.5Very high19 Ų1936.2 Ų36.210%0.10219%0.186CC..SBendtrans-156.4110.6169.3-166.5-3.3000109.3C90 F131 S135 Y159 G163C90-N161 PolarHBondContact SG-O 3.13Å; F131-N161 WeakPolarHBondContact CD2-OD1 3.35Å; F131-N161 VanDerWaalsContact CE2-OD1 3.3Å; F131-N161 WeakPolarHBondContact CE2-OD1 3.32Å; S135-N161 PolarHBondContact O-ND2 3.15Å; Y159-N161 HydrophobicContact CE1-CB 3.67Å; Y159-N161 WeakPolarHBondContact OH-CB 3.3Å; Y159-N161 PolarHBondContact OH-ND2 3.12Å; N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 3.45Å
162G97.5Very high97.4Very high0 Ų043.2 Ų43.20%022%0.219CC..SBendtrans72.51017500000116.5Y94 F102Y94-G162 PolarHBondContact OH-O 2.75Å; F102-G162 WeakPolarHBondContact CE2-O 3.4Å
163G98.3Very high97.3Very high0 Ų042.3 Ų42.30%022%0.215CC..  trans-70156.8-172.500000116.9Y94 P126 I127 Y160 N161 G202Y94-G163 VanDerWaalsContact OH-C 3.31Å; Y94-G163 PolarHBondContact OH-O 3.31Å; P126-G163 WeakPolarHBondContact CA-O 3.45Å; I127-G163 PolarHBondContact N-O 2.98Å; Y160-G163 VanDerWaalsContact CE2-CA 3.43Å; Y160-G163 VanDerWaalsContact CZ-N 3.35Å; Y160-G163 PolarHBondContact OH-N 2.99Å; Y160-G163 PolarHBondContact OH-O 3.34Å; N161-G163 VanDerWaalsContact C-N 3.27Å; N161-G163 PolarHBondContact O-N 3.45Å; G163-G202 WeakPolarHBondContact CA-O 3.27Å
164C98.7Very high97.1Very high0 Ų042 Ų420%021%0.213CC..  trans-87.7164.7176.159.10000114.5Y94 S124 F166 Y180 G202Y94-C164 HydrophobicContact CD1-CB 4.05Å; Y94-C164 HydrophobicContact CD2-CB 4.45Å; Y94-C164 HydrophobicContact CE1-CB 3.48Å; Y94-C164 VanDerWaalsContact CE1-CB 3.48Å; Y94-C164 HydrophobicContact CE2-CB 3.89Å; Y94-C164 WeakPolarHBondContact OH-CA 3.43Å; Y94-C164 PolarHBondContact OH-N 2.85Å; S124-C164 CarbonylContact O-C 3.49Å; S124-C164 VanDerWaalsContact O-CA 3.23Å; S124-C164 WeakPolarHBondContact O-CA 3.35Å; C164-F166 WeakPolarHBondContact SG-CZ 3.36Å; C164-Y180 WeakPolarHBondContact O-CE2 3.19Å; C164-Y180 PolarHBondContact O-OH 3.39Å; C164-G202 WeakPolarHBondContact O-CA 3.39Å
165T98.9Very high97Very high0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-105.9166.5145.4-178.40000109.9S124 I127 R185 P186S124-T165 PolarHBondContact N-O 2.97Å; S124-T165 WeakPolarHBondContact O-CG2 3.45Å; S124-T165 PolarHBondContact O-N 2.8Å; I127-T165 HydrophobicContact CD1-CG2 3.62Å; I127-T165 HydrophobicContact CG1-CG2 4.43Å; T165-R185 VanDerWaalsContact CG2-CZ 3.45Å; T165-R185 WeakPolarHBondContact OG1-CB 3.46Å; T165-P186 VanDerWaalsContact CA-O 3.26Å; T165-P186 WeakPolarHBondContact CA-O 3.37Å; T165-P186 WeakPolarHBondContact OG1-CD 3.36Å; T165-P186 PolarHBondContact OG1-O 3.25Å; T165-P186 VanDerWaalsContact OG1-O 3.1Å
166F98.8Very high96.9Very high4 Ų438.8 Ų38.82%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-109.6128.3-179.1-55.3-85.1000111.3A93 F119 C164 W171 P186 I189 L200A93-F166 HydrophobicContact CB-CE1 4.22Å; A93-F166 HydrophobicContact CB-CZ 4.02Å; F119-F166 HydrophobicContact CD1-CD1 4.11Å; F119-F166 HydrophobicContact CE1-CB 3.84Å; F119-F166 HydrophobicContact CE1-CD1 4.13Å; F119-F166 HydrophobicContact CE1-CG 4.48Å; F119-F166 HydrophobicContact CZ-CB 3.84Å; C164-F166 WeakPolarHBondContact SG-CZ 3.36Å; F166-W171 HydrophobicContact CB-CH2 3.94Å; F166-P186 HydrophobicContact CB-CB 4.16Å; F166-P186 HydrophobicContact CD2-CB 4.1Å; F166-I189 HydrophobicContact CB-CD1 3.99Å; F166-I189 HydrophobicContact CB-CG2 4.03Å; F166-I189 HydrophobicContact CD1-CD1 3.55Å; F166-I189 HydrophobicContact CD1-CG1 3.94Å; F166-I189 HydrophobicContact CD2-CB 4.3Å; F166-I189 HydrophobicContact CD2-CD1 4.2Å; F166-I189 HydrophobicContact CD2-CG1 3.9Å; F166-I189 HydrophobicContact CD2-CG2 3.51Å; F166-I189 HydrophobicContact CE1-CD1 4.06Å; F166-I189 HydrophobicContact CE1-CG1 4.07Å; F166-I189 HydrophobicContact CE2-CG1 4.02Å; F166-I189 HydrophobicContact CE2-CG2 4.16Å; F166-I189 HydrophobicContact CG-CD1 3.63Å; F166-I189 HydrophobicContact CG-CG1 3.86Å; F166-I189 HydrophobicContact CG-CG2 3.85Å; F166-I189 HydrophobicContact CZ-CG1 4.11Å; F166-L200 HydrophobicContact CE1-CB 3.55Å; F166-L200 HydrophobicContact CE1-CD1 4.11Å; F166-L200 HydrophobicContact CE1-CG 4.5Å; F166-L200 HydrophobicContact CZ-CB 3.55Å; F166-L200 WeakPolarHBondContact CZ-O 3.04Å
167E98.5Very high96.9Very high69 Ų6938.8 Ų38.832%0.32219%0.193SC..EExtended strand (participates in β ladder)trans-121.5127.8-179.4-62.7174.2-165.700109.9G121 I122 S124 R185G121-E167 CarbonylContact C-O 3.46Å; G121-E167 VanDerWaalsContact CA-O 3.28Å; G121-E167 WeakPolarHBondContact CA-O 3.43Å; I122-E167 HydrophobicContact CB-CB 4.42Å; I122-E167 PolarHBondContact N-O 2.95Å; I122-E167 PolarHBondContact O-N 3.02Å; S124-E167 WeakPolarHBondContact CB-OE1 3.17Å; S124-E167 PolarHBondContact OG-OE1 3.25Å; S124-E167 VanDerWaalsContact OG-OE1 3.04Å; E167-R185 IonicContact OE1-CZ 3.61Å; E167-R185 IonicContact OE1-NH2 3.96Å; E167-R185 PolarHBondContact OE1-NH2 3.38Å
168S97.7Very high96.9Very high33 Ų3336.8 Ų36.823%0.23118%0.183CC..  trans-154.4147174.6-174.90000111.8Q120 N170 W171Q120-S168 VanDerWaalsContact O-CB 3.24Å; Q120-S168 WeakPolarHBondContact O-CB 3.13Å; Q120-S168 PolarHBondContact O-OG 2.93Å; S168-N170 PolarHBondContact OG-N 3.14Å; S168-N170 PolarHBondContact OG-O 2.97Å; S168-W171 PolarHBondContact O-NE1 3.41Å; S168-W171 VanDerWaalsContact O-NE1 3.1Å
169I95.7Very high96.9Very high184 Ų18437.9 Ų37.994%0.94419%0.19SC*.SBendtrans-82.5-16.716762.4170.9000112.2
170N93.4Very high96.9Very high51 Ų5137.8 Ų37.827%0.27319%0.19SC..  trans-129.7108.2-179.5-173.315.1000111.7Q120 S168 E172Q120-N170 PolarHBondContact OE1-ND2 2.76Å; S168-N170 PolarHBondContact OG-N 3.14Å; S168-N170 PolarHBondContact OG-O 2.97Å; N170-E172 WeakPolarHBondContact OD1-CB 3.43Å; N170-E172 PolarHBondContact OD1-N 2.66Å
171W94.8Very high96.9Very high78 Ų7839.9 Ų39.930%0.29520%0.204SC..  trans-100.214175.3-69.787.3000112.8F119 F166 S168 N173 S174 I176 P186 I189F119-W171 HydrophobicContact CE2-CE3 4.19Å; F119-W171 AromaticContact CE2-CH2 3.93Å; F119-W171 HydrophobicContact CE2-CH2 3.93Å; F119-W171 HydrophobicContact CE2-CZ2 4.39Å; F119-W171 AromaticContact CE2-CZ3 3.81Å; F119-W171 HydrophobicContact CE2-CZ3 3.81Å; F119-W171 AromaticContact CZ-CH2 3.92Å; F119-W171 HydrophobicContact CZ-CH2 3.92Å; F119-W171 HydrophobicContact CZ-CZ2 4.15Å; F119-W171 HydrophobicContact CZ-CZ3 4.29Å; F166-W171 HydrophobicContact CB-CH2 3.94Å; S168-W171 PolarHBondContact O-NE1 3.41Å; S168-W171 VanDerWaalsContact O-NE1 3.1Å; W171-N173 PolarHBondContact O-N 3.23Å; W171-N173 VanDerWaalsContact O-N 3.13Å; W171-S174 CarbonylContact O-C 3.52Å; W171-S174 PolarHBondContact O-N 3.49Å; W171-I176 HydrophobicContact CE3-CG1 4.49Å; W171-I176 HydrophobicContact CH2-CG1 4.02Å; W171-I176 HydrophobicContact CZ3-CG1 3.96Å; W171-P186 HydrophobicContact CH2-CB 4.41Å; W171-P186 HydrophobicContact CH2-CG 4.17Å; W171-P186 HydrophobicContact CZ2-CG 4.34Å; W171-I189 HydrophobicContact CH2-CG2 3.93Å; W171-I189 HydrophobicContact CZ3-CB 4.34Å; W171-I189 HydrophobicContact CZ3-CD1 4.35Å; W171-I189 HydrophobicContact CZ3-CG2 3.82Å
172E92.6Very high97Very high155 Ų15544.6 Ų44.672%0.72423%0.229SC*.THydrogen-bonded Turntrans-53.1-39.9-176.7-179.2178.4-16700113.5N170N170-E172 WeakPolarHBondContact OD1-CB 3.43Å; N170-E172 PolarHBondContact OD1-N 2.66Å
173N94Very high96.9Very high78 Ų7847.8 Ų47.842%0.41725%0.246SC..THydrogen-bonded Turntrans-103.812.2-179.9-65.7-54.3000113.2W171 S191 K192W171-N173 PolarHBondContact O-N 3.23Å; W171-N173 VanDerWaalsContact O-N 3.13Å; N173-S191 CarbonylContact O-C 3.56Å; N173-S191 WeakPolarHBondContact O-CA 3.47Å; N173-K192 HydrophobicContact CB-CB 4.44Å; N173-K192 PolarHBondContact O-N 2.96Å
174S95.4Very high96.9Very high10 Ų1050 Ų507%0.0727%0.269CS..EExtended strand (participates in β ladder)trans-144.1151.6-173.8-59.70000111.9F119 W171 G190 S191F119-S174 WeakPolarHBondContact CD2-OG 3.41Å; W171-S174 CarbonylContact O-C 3.52Å; W171-S174 PolarHBondContact O-N 3.49Å; S174-G190 CarbonylContact C-O 3.59Å; S174-G190 VanDerWaalsContact CA-O 3.27Å; S174-G190 WeakPolarHBondContact CA-O 3.36Å; S174-S191 WeakPolarHBondContact OG-CB 3.36Å; S174-S191 PolarHBondContact OG-OG 3.41Å
175Q95.3Very high96.9Very high32 Ų3254.3 Ų54.315%0.1529%0.286CS..EExtended strand (participates in β ladder)trans-146148.8177.752.2167.459.700110.8L177 I189 G190 V265 L266Q175-L177 VanDerWaalsContact NE2-CD2 3.28Å; Q175-I189 CarbonylContact O-C 3.52Å; Q175-I189 VanDerWaalsContact O-CA 3.25Å; Q175-I189 WeakPolarHBondContact O-CA 3.49Å; Q175-I189 WeakPolarHBondContact O-CB 3.45Å; Q175-G190 PolarHBondContact N-O 3.25Å; Q175-G190 PolarHBondContact O-N 3.1Å; Q175-V265 PolarHBondContact NE2-O 3.41Å; Q175-V265 PolarHBondContact OE1-O 2.93Å; Q175-L266 PolarHBondContact OE1-O 2.86Å
176I97.5Very high96.9Very high55 Ų5555.1 Ų55.128%0.28229%0.291SS..EExtended strand (participates in β ladder)trans-75.1134174-53.2164000107.6V147 W171 T179 P186 I189V147-I176 HydrophobicContact CG1-CB 4.21Å; V147-I176 HydrophobicContact CG1-CG2 3.65Å; V147-I176 WeakPolarHBondContact CG2-O 3.48Å; W171-I176 HydrophobicContact CE3-CG1 4.49Å; W171-I176 HydrophobicContact CH2-CG1 4.02Å; W171-I176 HydrophobicContact CZ3-CG1 3.96Å; I176-T179 HydrophobicContact CG2-CG2 3.75Å; I176-P186 HydrophobicContact CD1-CB 4.42Å; I176-P186 HydrophobicContact CD1-CG 3.7Å; I176-P186 HydrophobicContact CG1-CB 4.08Å; I176-P186 HydrophobicContact CG1-CG 3.85Å; I176-P186 HydrophobicContact CG2-CB 4.18Å; I176-I189 HydrophobicContact CG1-CG2 4.48Å
177L97.5Very high96.9Very high2 Ų254.9 Ų54.91%0.0129%0.29CS..EExtended strand (participates in β ladder)trans-102.9-46.7172.1-61.4177.3000109.8A146 V147 L151 Q175 I188 I199 L253A146-L177 WeakPolarHBondContact CA-O 3.39Å; V147-L177 PolarHBondContact N-O 3.32Å; L151-L177 HydrophobicContact CD1-CB 4.07Å; L151-L177 HydrophobicContact CD1-CD2 4.16Å; L151-L177 WeakPolarHBondContact CD1-O 3.32Å; L151-L177 HydrophobicContact CD2-CD2 4.46Å; Q175-L177 VanDerWaalsContact NE2-CD2 3.28Å; L177-I188 HydrophobicContact CB-CG2 4.48Å; L177-I188 WeakPolarHBondContact CB-O 3.25Å; L177-I188 HydrophobicContact CD1-CG2 4.31Å; L177-I188 PolarHBondContact N-O 2.88Å; L177-I199 HydrophobicContact CD1-CD1 4.37Å; L177-I199 HydrophobicContact CD1-CG1 4.32Å; L177-L253 HydrophobicContact CD1-CD2 3.97Å
178Y98.7Very high96.9Very high0 Ų051.6 Ų51.60%027%0.274CS..EExtended strand (participates in β ladder)trans-135.3145178.4-69.5-101.2000110.9I144 Q145 A146 L151 P153 A187 I188 L249 L253I144-Y178 HydrophobicContact CB-CD1 4.44Å; I144-Y178 HydrophobicContact CD1-CD1 3.77Å; I144-Y178 HydrophobicContact CD1-CG 3.93Å; I144-Y178 HydrophobicContact CG1-CD1 3.93Å; I144-Y178 HydrophobicContact CG1-CG 4.47Å; Q145-Y178 VanDerWaalsContact C-CD1 3.47Å; Q145-Y178 CarbonylContact O-C 3.59Å; Q145-Y178 WeakPolarHBondContact O-CA 3.45Å; A146-Y178 HydrophobicContact CB-CD1 4.06Å; A146-Y178 HydrophobicContact CB-CE1 3.62Å; A146-Y178 VanDerWaalsContact N-CD1 3.32Å; L151-Y178 HydrophobicContact CB-CE2 4.35Å; L151-Y178 HydrophobicContact CD1-CE2 4.15Å; P153-Y178 VanDerWaalsContact O-CE1 3.28Å; P153-Y178 WeakPolarHBondContact O-CE1 3.4Å; P153-Y178 PolarHBondContact O-OH 2.63Å; Y178-A187 PolarHBondContact O-N 3.48Å; Y178-I188 HydrophobicContact CD2-CB 4.33Å; Y178-I188 HydrophobicContact CD2-CD1 4.2Å; Y178-I188 HydrophobicContact CG-CD1 4.36Å; Y178-I188 PolarHBondContact N-O 2.82Å; Y178-I188 VanDerWaalsContact N-O 3.1Å; Y178-I188 PolarHBondContact O-N 3.03Å; Y178-L249 HydrophobicContact CD1-CD1 4.43Å; Y178-L249 HydrophobicContact CD2-CD1 4.05Å; Y178-L249 HydrophobicContact CE1-CD1 3.91Å; Y178-L249 HydrophobicContact CE2-CD1 3.48Å; Y178-L249 VanDerWaalsContact CE2-CD1 3.48Å; Y178-L249 VanDerWaalsContact CZ-CD1 3.41Å; Y178-L253 HydrophobicContact CE2-CD2 4.32Å
179T98.8Very high97Very high23 Ų2350 Ų5014%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-110.5153.5171.455.30000110.9I144 Q145 V147 I176 S181 G184 R185I144-T179 CarbonylContact C-O 3.54Å; I144-T179 WeakPolarHBondContact CA-O 3.49Å; I144-T179 WeakPolarHBondContact CB-O 3.45Å; Q145-T179 PolarHBondContact N-O 3.02Å; Q145-T179 PolarHBondContact O-N 3.09Å; V147-T179 HydrophobicContact CG1-CG2 3.87Å; I176-T179 HydrophobicContact CG2-CG2 3.75Å; T179-S181 PolarHBondContact O-N 3.08Å; T179-G184 VanDerWaalsContact CG2-O 3.3Å; T179-G184 WeakPolarHBondContact CG2-O 3.35Å; T179-R185 CarbonylContact C-O 3.57Å; T179-R185 VanDerWaalsContact CA-O 3.23Å; T179-R185 WeakPolarHBondContact CA-O 3.45Å; T179-R185 WeakPolarHBondContact CB-O 3.4Å
180Y98.7Very high97Very high1 Ų141.3 Ų41.30%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-65.2123.8166.4-65.8-77.6000108.5I127 F128 I144 Y160 C164 D182 N183 G184 R185 A187 G202 V203I127-Y180 HydrophobicContact CB-CE2 4.4Å; I127-Y180 HydrophobicContact CG1-CD2 4.27Å; I127-Y180 HydrophobicContact CG1-CE2 4.21Å; I127-Y180 HydrophobicContact CG2-CD2 4.4Å; I127-Y180 HydrophobicContact CG2-CE1 3.96Å; I127-Y180 HydrophobicContact CG2-CE2 3.87Å; F128-Y180 AromaticContact CE2-CD1 3.62Å; F128-Y180 HydrophobicContact CE2-CD1 3.62Å; F128-Y180 AromaticContact CE2-CE1 3.83Å; F128-Y180 HydrophobicContact CE2-CE1 3.83Å; F128-Y180 HydrophobicContact CE2-CG 4.37Å; F128-Y180 HydrophobicContact CZ-CD1 4.02Å; F128-Y180 HydrophobicContact CZ-CG 4.48Å; I144-Y180 HydrophobicContact CG2-CD1 4.38Å; Y160-Y180 HydrophobicContact CD2-CE1 4.22Å; C164-Y180 WeakPolarHBondContact O-CE2 3.19Å; C164-Y180 PolarHBondContact O-OH 3.39Å; Y180-D182 PolarHBondContact O-N 3.25Å; Y180-N183 WeakPolarHBondContact CB-OD1 3.34Å; Y180-N183 PolarHBondContact O-N 2.84Å; Y180-G184 WeakPolarHBondContact O-CA 3.37Å; Y180-G184 PolarHBondContact O-N 3.06Å; Y180-R185 WeakPolarHBondContact CD2-O 3.3Å; Y180-R185 PolarHBondContact N-O 2.7Å; Y180-A187 HydrophobicContact CD1-CB 3.94Å; Y180-A187 HydrophobicContact CD2-CB 3.65Å; Y180-A187 HydrophobicContact CE1-CB 3.89Å; Y180-A187 VanDerWaalsContact CE2-CA 3.43Å; Y180-A187 HydrophobicContact CE2-CB 3.58Å; Y180-A187 HydrophobicContact CG-CB 3.82Å; Y180-G202 WeakPolarHBondContact OH-CA 3.15Å; Y180-V203 HydrophobicContact CD1-CG1 4.25Å; Y180-V203 HydrophobicContact CE1-CG1 3.37Å
181S98.4Very high97.1Very high44 Ų4439 Ų3931%0.30821%0.206SC..THydrogen-bonded Turntrans-60.2-33.2-176.7-62.90000112.5S143 T179 N183S143-S181 WeakPolarHBondContact O-CB 3.44Å; S143-S181 PolarHBondContact O-N 3.45Å; S143-S181 PolarHBondContact O-OG 3.39Å; S143-S181 PolarHBondContact OG-OG 3.25Å; T179-S181 PolarHBondContact O-N 3.08Å; S181-N183 PolarHBondContact O-N 3.45Å
182D97.1Very high97.2Very high117 Ų11736.1 Ų36.163%0.62620%0.196SC*.THydrogen-bonded Turntrans-70.1-31.9-173.7-63.8-1.8000113.9F128 Y180F128-D182 HydrophobicContact CE1-CB 4.27Å; F128-D182 WeakPolarHBondContact CE1-OD2 3.27Å; F128-D182 HydrophobicContact CZ-CB 4.47Å; Y180-D182 PolarHBondContact O-N 3.25Å
183N97.2Very high97.3Very high67 Ų6729.9 Ų29.936%0.35817%0.168SC..THydrogen-bonded Turntrans-133.6-2.4-172.264.334000114.1Y180 S181 R185Y180-N183 WeakPolarHBondContact CB-OD1 3.34Å; Y180-N183 PolarHBondContact O-N 2.84Å; S181-N183 PolarHBondContact O-N 3.45Å; N183-R185 HydrophobicContact CB-CG 4.32Å; N183-R185 PolarHBondContact O-N 2.86Å; N183-R185 VanDerWaalsContact O-N 3.17Å; N183-R185 WeakPolarHBondContact OD1-CB 3.1Å; N183-R185 VanDerWaalsContact OD1-CG 3.3Å; N183-R185 WeakPolarHBondContact OD1-CG 3.08Å; N183-R185 PolarHBondContact OD1-N 3.38Å
184G98.2Very high97.2Very high47 Ų4728.6 Ų28.649%0.48517%0.173SC..  trans69.25179.200000115T179 Y180T179-G184 VanDerWaalsContact CG2-O 3.3Å; T179-G184 WeakPolarHBondContact CG2-O 3.35Å; Y180-G184 WeakPolarHBondContact O-CA 3.37Å; Y180-G184 PolarHBondContact O-N 3.06Å
185R98.6Very high97Very high91 Ų9133.6 Ų33.634%0.34320%0.199SC..  trans-80.4151.4-176.7-56.8-174.267.2-174.26.2111.2T165 E167 T179 Y180 N183 A187T165-R185 VanDerWaalsContact CG2-CZ 3.45Å; T165-R185 WeakPolarHBondContact OG1-CB 3.46Å; E167-R185 IonicContact OE1-CZ 3.61Å; E167-R185 IonicContact OE1-NH2 3.96Å; E167-R185 PolarHBondContact OE1-NH2 3.38Å; T179-R185 CarbonylContact C-O 3.57Å; T179-R185 VanDerWaalsContact CA-O 3.23Å; T179-R185 WeakPolarHBondContact CA-O 3.45Å; T179-R185 WeakPolarHBondContact CB-O 3.4Å; Y180-R185 WeakPolarHBondContact CD2-O 3.3Å; Y180-R185 PolarHBondContact N-O 2.7Å; N183-R185 HydrophobicContact CB-CG 4.32Å; N183-R185 PolarHBondContact O-N 2.86Å; N183-R185 VanDerWaalsContact O-N 3.17Å; N183-R185 WeakPolarHBondContact OD1-CB 3.1Å; N183-R185 VanDerWaalsContact OD1-CG 3.3Å; N183-R185 WeakPolarHBondContact OD1-CG 3.08Å; N183-R185 PolarHBondContact OD1-N 3.38Å; R185-A187 PolarHBondContact O-N 2.89Å
186P98.7Very high97Very high16 Ų1632.1 Ų32.110%0.10419%0.192CC..EExtended strand (participates in β ladder)trans-57.8119-177.3-27.235.6000113.6T165 F166 W171 I176 I189T165-P186 VanDerWaalsContact CA-O 3.26Å; T165-P186 WeakPolarHBondContact CA-O 3.37Å; T165-P186 WeakPolarHBondContact OG1-CD 3.36Å; T165-P186 PolarHBondContact OG1-O 3.25Å; T165-P186 VanDerWaalsContact OG1-O 3.1Å; F166-P186 HydrophobicContact CB-CB 4.16Å; F166-P186 HydrophobicContact CD2-CB 4.1Å; W171-P186 HydrophobicContact CH2-CB 4.41Å; W171-P186 HydrophobicContact CH2-CG 4.17Å; W171-P186 HydrophobicContact CZ2-CG 4.34Å; I176-P186 HydrophobicContact CD1-CB 4.42Å; I176-P186 HydrophobicContact CD1-CG 3.7Å; I176-P186 HydrophobicContact CG1-CB 4.08Å; I176-P186 HydrophobicContact CG1-CG 3.85Å; I176-P186 HydrophobicContact CG2-CB 4.18Å; P186-I189 HydrophobicContact CB-CG2 3.93Å
187A98.8Very high96.9Very high0 Ų029.9 Ų29.90%018%0.182CC..EExtended strand (participates in β ladder)trans-98.1-38.7176.800000112.5I144 Y178 Y180 R185 G202I144-A187 HydrophobicContact CG2-CB 3.88Å; Y178-A187 PolarHBondContact O-N 3.48Å; Y180-A187 HydrophobicContact CD1-CB 3.94Å; Y180-A187 HydrophobicContact CD2-CB 3.65Å; Y180-A187 HydrophobicContact CE1-CB 3.89Å; Y180-A187 VanDerWaalsContact CE2-CA 3.43Å; Y180-A187 HydrophobicContact CE2-CB 3.58Å; Y180-A187 HydrophobicContact CG-CB 3.82Å; R185-A187 PolarHBondContact O-N 2.89Å; A187-G202 PolarHBondContact O-N 2.98Å
188I98.8Very high96.9Very high0 Ų029.8 Ų29.80%018%0.181CC..EExtended strand (participates in β ladder)trans-135.4127.7178.1-47-173000107.9I144 L177 Y178 I199 L200 V203 F205 L249 L253I144-I188 HydrophobicContact CD1-CD1 3.69Å; I144-I188 HydrophobicContact CD1-CG1 4.36Å; L177-I188 HydrophobicContact CB-CG2 4.48Å; L177-I188 WeakPolarHBondContact CB-O 3.25Å; L177-I188 HydrophobicContact CD1-CG2 4.31Å; L177-I188 PolarHBondContact N-O 2.88Å; Y178-I188 HydrophobicContact CD2-CB 4.33Å; Y178-I188 HydrophobicContact CD2-CD1 4.2Å; Y178-I188 HydrophobicContact CG-CD1 4.36Å; Y178-I188 PolarHBondContact N-O 2.82Å; Y178-I188 VanDerWaalsContact N-O 3.1Å; Y178-I188 PolarHBondContact O-N 3.03Å; I188-I199 HydrophobicContact CG2-CG2 3.69Å; I188-L200 WeakPolarHBondContact CA-O 3.4Å; I188-V203 HydrophobicContact CD1-CG2 3.81Å; I188-V203 HydrophobicContact CG1-CG2 3.86Å; I188-F205 HydrophobicContact CD1-CD1 4.39Å; I188-L249 HydrophobicContact CD1-CD1 4.36Å; I188-L249 HydrophobicContact CD1-CD2 4.32Å; I188-L253 HydrophobicContact CD1-CD1 3.84Å; I188-L253 HydrophobicContact CG2-CD1 4.29Å; I188-L253 HydrophobicContact CG2-CD2 4.14Å
189I98.2Very high96.9Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-122.4151.817767.1163.8000110.6F119 F166 W171 Q175 I176 P186 I199 L200F119-I189 HydrophobicContact CB-CD1 4.16Å; F119-I189 HydrophobicContact CD1-CD1 4.18Å; F119-I189 HydrophobicContact CD2-CD1 3.35Å; F119-I189 HydrophobicContact CE1-CD1 4.41Å; F119-I189 HydrophobicContact CE2-CD1 3.66Å; F119-I189 HydrophobicContact CG-CD1 3.63Å; F119-I189 HydrophobicContact CZ-CD1 4.17Å; F166-I189 HydrophobicContact CB-CD1 3.99Å; F166-I189 HydrophobicContact CB-CG2 4.03Å; F166-I189 HydrophobicContact CD1-CD1 3.55Å; F166-I189 HydrophobicContact CD1-CG1 3.94Å; F166-I189 HydrophobicContact CD2-CB 4.3Å; F166-I189 HydrophobicContact CD2-CD1 4.2Å; F166-I189 HydrophobicContact CD2-CG1 3.9Å; F166-I189 HydrophobicContact CD2-CG2 3.51Å; F166-I189 HydrophobicContact CE1-CD1 4.06Å; F166-I189 HydrophobicContact CE1-CG1 4.07Å; F166-I189 HydrophobicContact CE2-CG1 4.02Å; F166-I189 HydrophobicContact CE2-CG2 4.16Å; F166-I189 HydrophobicContact CG-CD1 3.63Å; F166-I189 HydrophobicContact CG-CG1 3.86Å; F166-I189 HydrophobicContact CG-CG2 3.85Å; F166-I189 HydrophobicContact CZ-CG1 4.11Å; W171-I189 HydrophobicContact CH2-CG2 3.93Å; W171-I189 HydrophobicContact CZ3-CB 4.34Å; W171-I189 HydrophobicContact CZ3-CD1 4.35Å; W171-I189 HydrophobicContact CZ3-CG2 3.82Å; Q175-I189 CarbonylContact O-C 3.52Å; Q175-I189 VanDerWaalsContact O-CA 3.25Å; Q175-I189 WeakPolarHBondContact O-CA 3.49Å; Q175-I189 WeakPolarHBondContact O-CB 3.45Å; I176-I189 HydrophobicContact CG1-CG2 4.48Å; P186-I189 HydrophobicContact CB-CG2 3.93Å; I189-I199 WeakPolarHBondContact O-CA 3.23Å; I189-L200 HydrophobicContact CD1-CB 4.44Å; I189-L200 HydrophobicContact CD1-CD1 4.27Å; I189-L200 HydrophobicContact CG1-CB 3.86Å; I189-L200 HydrophobicContact CG1-CG 4.39Å; I189-L200 PolarHBondContact N-O 3.33Å; I189-L200 PolarHBondContact O-N 3.04Å
190G96.7Very high96.9Very high1 Ų128.8 Ų28.81%0.0118%0.175CC..EExtended strand (participates in β ladder)trans-102.4139163.100000109.4S174 Q175 G198S174-G190 CarbonylContact C-O 3.59Å; S174-G190 VanDerWaalsContact CA-O 3.27Å; S174-G190 WeakPolarHBondContact CA-O 3.36Å; Q175-G190 PolarHBondContact N-O 3.25Å; Q175-G190 PolarHBondContact O-N 3.1Å; G190-G198 WeakPolarHBondContact CA-O 3.49Å
191S96.1Very high96.9Very high1 Ų128.7 Ų28.71%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-139.7147.3-178.1-164.50000111.6L118 N173 S174 S197 G198L118-S191 PolarHBondContact O-OG 3Å; N173-S191 CarbonylContact O-C 3.56Å; N173-S191 WeakPolarHBondContact O-CA 3.47Å; S174-S191 WeakPolarHBondContact OG-CB 3.36Å; S174-S191 PolarHBondContact OG-OG 3.41Å; S191-S197 CarbonylContact O-C 3.57Å; S191-S197 WeakPolarHBondContact O-CA 3.32Å; S191-S197 WeakPolarHBondContact O-CB 3.35Å; S191-G198 PolarHBondContact N-O 3.33Å; S191-G198 PolarHBondContact O-N 3.34Å
192K95.1Very high96.9Very high18 Ų1826.6 Ų26.68%0.07816%0.16CC..EExtended strand (participates in β ladder)trans-113.4143.3178-67.2-164.8-177.8-166.50111.1N173 N263 M267N173-K192 HydrophobicContact CB-CB 4.44Å; N173-K192 PolarHBondContact O-N 2.96Å; K192-N263 PolarHBondContact NZ-O 3.24Å; K192-N263 PolarHBondContact NZ-OD1 3.23Å; K192-M267 HydrophobicContact CD-CE 3.93Å; K192-M267 HydrophobicContact CD-CG 4.47Å; K192-M267 VanDerWaalsContact NZ-CE 3.27Å; K192-M267 VanDerWaalsContact NZ-CG 3.29Å; K192-M267 PolarHBondContact NZ-SD 3.05Å
193L94.7Very high97Very high24 Ų2421 Ų2113%0.12613%0.13CC..EExtended strand (participates in β ladder)trans-138.9109.9170.9176.265.5000107.6I79 K80 L118 N195 G196I79-L193 HydrophobicContact CB-CD2 4.23Å; I79-L193 HydrophobicContact CG2-CB 3.95Å; I79-L193 HydrophobicContact CG2-CD2 4.22Å; I79-L193 HydrophobicContact CG2-CG 4.48Å; K80-L193 WeakPolarHBondContact CA-O 3.26Å; K80-L193 HydrophobicContact CB-CD2 4.08Å; K80-L193 HydrophobicContact CB-CG 3.83Å; K80-L193 HydrophobicContact CD-CD1 4.21Å; K80-L193 HydrophobicContact CD-CG 4.37Å; K80-L193 HydrophobicContact CG-CD1 4.36Å; K80-L193 HydrophobicContact CG-CG 4.07Å; L118-L193 HydrophobicContact CD1-CB 3.68Å; L193-N195 PolarHBondContact O-N 3.5Å; L193-G196 PolarHBondContact N-O 3.11Å; L193-G196 VanDerWaalsContact N-O 3.1Å; L193-G196 WeakPolarHBondContact O-CA 3.49Å; L193-G196 PolarHBondContact O-N 3.1Å
194G93.4Very high97.1Very high51 Ų5118 Ų1853%0.52611%0.114SC..THydrogen-bonded Turntrans57.6-128.4-169.100000111.2
195N90.9Very high97.1Very high116 Ų11615.8 Ų15.862%0.629%0.091SC*.THydrogen-bonded Turntrans-92.60.2175-68-32.8000113M83 R85 L193M83-N195 HydrophobicContact CB-CB 4.47Å; M83-N195 HydrophobicContact CE-CB 4.32Å; M83-N195 HydrophobicContact CG-CB 3.68Å; M83-N195 HydrophobicContact SD-CB 4.4Å; R85-N195 PolarHBondContact NH1-O 2.96Å; L193-N195 PolarHBondContact O-N 3.5Å
196G95.4Very high97.1Very high1 Ų111.5 Ų11.51%0.017%0.074CC..EExtended strand (participates in β ladder)trans-88.7170.3171.700000112.6I79 G84 L193I79-G196 WeakPolarHBondContact O-CA 3.47Å; I79-G196 PolarHBondContact O-N 3.05Å; G84-G196 VanDerWaalsContact O-CA 3.32Å; G84-G196 WeakPolarHBondContact O-CA 3.42Å; L193-G196 PolarHBondContact N-O 3.11Å; L193-G196 VanDerWaalsContact N-O 3.1Å; L193-G196 WeakPolarHBondContact O-CA 3.49Å; L193-G196 PolarHBondContact O-N 3.1Å
197S95.7Very high97.1Very high8 Ų811.2 Ų11.26%0.0567%0.071CC..EExtended strand (participates in β ladder)trans-154.4166.3176.560.90000112.2G84 R85 Y86 S191G84-S197 PolarHBondContact O-N 2.85Å; R85-S197 CarbonylContact C-O 3.55Å; R85-S197 VanDerWaalsContact CA-O 3.3Å; R85-S197 WeakPolarHBondContact CA-O 3.39Å; R85-S197 VanDerWaalsContact CD-OG 3.31Å; R85-S197 WeakPolarHBondContact CD-OG 3.22Å; Y86-S197 PolarHBondContact N-O 3.03Å; S191-S197 CarbonylContact O-C 3.57Å; S191-S197 WeakPolarHBondContact O-CA 3.32Å; S191-S197 WeakPolarHBondContact O-CB 3.35Å
198G97.3Very high97Very high0 Ų012.6 Ų12.60%08%0.079CC..EExtended strand (participates in β ladder)trans-152.1165.2168.900000114Y86 G190 S191Y86-G198 CarbonylContact O-C 3.58Å; Y86-G198 WeakPolarHBondContact O-CA 3.46Å; G190-G198 WeakPolarHBondContact CA-O 3.49Å; S191-G198 PolarHBondContact N-O 3.33Å; S191-G198 PolarHBondContact O-N 3.34Å
199I98.3Very high96.9Very high1 Ų112.7 Ų12.71%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-108.7126.4169.8-70.1176.5000107.6Y86 L87 G88 L177 I188 I189 L253 L256 L257Y86-I199 PolarHBondContact O-N 2.83Å; L87-I199 HydrophobicContact CD1-CB 4.25Å; L87-I199 HydrophobicContact CD1-CG2 4.21Å; G88-I199 PolarHBondContact N-O 3.14Å; L177-I199 HydrophobicContact CD1-CD1 4.37Å; L177-I199 HydrophobicContact CD1-CG1 4.32Å; I188-I199 HydrophobicContact CG2-CG2 3.69Å; I189-I199 WeakPolarHBondContact O-CA 3.23Å; I199-L253 HydrophobicContact CD1-CB 3.88Å; I199-L253 HydrophobicContact CD1-CD2 4.03Å; I199-L253 WeakPolarHBondContact CD1-O 3.46Å; I199-L253 HydrophobicContact CG2-CD2 4.42Å; I199-L256 HydrophobicContact CD1-CB 4.48Å; I199-L257 HydrophobicContact CB-CD2 4.49Å; I199-L257 HydrophobicContact CD1-CB 3.95Å; I199-L257 HydrophobicContact CG1-CB 4.47Å; I199-L257 HydrophobicContact CG1-CD1 4.33Å
200L98.8Very high96.8Very high0 Ų018.8 Ų18.80%010%0.103CC..EExtended strand (participates in β ladder)trans-114.1130.2176.3-50.3-173.6000108.7Y86 G88 A93 A96 L118 F119 F166 I188 I189Y86-L200 HydrophobicContact CD1-CD2 3.7Å; Y86-L200 HydrophobicContact CE1-CD2 3.56Å; G88-L200 CarbonylContact O-C 3.21Å; G88-L200 WeakPolarHBondContact O-CA 3.02Å; A93-L200 HydrophobicContact CB-CB 4.08Å; A96-L200 HydrophobicContact CB-CD1 3.85Å; A96-L200 HydrophobicContact CB-CD2 3.44Å; A96-L200 VanDerWaalsContact CB-CD2 3.44Å; A96-L200 HydrophobicContact CB-CG 4.32Å; L118-L200 HydrophobicContact CD2-CD2 4Å; F119-L200 HydrophobicContact CB-CD1 3.58Å; F119-L200 HydrophobicContact CG-CD1 4.47Å; F166-L200 HydrophobicContact CE1-CB 3.55Å; F166-L200 HydrophobicContact CE1-CD1 4.11Å; F166-L200 HydrophobicContact CE1-CG 4.5Å; F166-L200 HydrophobicContact CZ-CB 3.55Å; F166-L200 WeakPolarHBondContact CZ-O 3.04Å; I188-L200 WeakPolarHBondContact CA-O 3.4Å; I189-L200 HydrophobicContact CD1-CB 4.44Å; I189-L200 HydrophobicContact CD1-CD1 4.27Å; I189-L200 HydrophobicContact CG1-CB 3.86Å; I189-L200 HydrophobicContact CG1-CG 4.39Å; I189-L200 PolarHBondContact N-O 3.33Å; I189-L200 PolarHBondContact O-N 3.04Å
201S98.9Very high96.8Very high0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-131.8126.2-173.8-174.60000111G88 I89 C90 A93 V203G88-S201 PolarHBondContact O-N 2.89Å; I89-S201 CarbonylContact C-O 3.55Å; I89-S201 WeakPolarHBondContact CA-O 3.47Å; C90-S201 PolarHBondContact N-O 2.62Å; A93-S201 WeakPolarHBondContact CB-O 3.26Å; S201-V203 VanDerWaalsContact C-N 3.29Å; S201-V203 WeakPolarHBondContact OG-CG2 3.3Å; S201-V203 PolarHBondContact OG-N 3.11Å; S201-V203 PolarHBondContact OG-O 3.22Å
202G98.8Very high96.7Very high0 Ų020.6 Ų20.60%011%0.113CC..SBendtrans-76.6-19.1166.500000112.9G163 C164 Y180 A187G163-G202 WeakPolarHBondContact CA-O 3.27Å; C164-G202 WeakPolarHBondContact O-CA 3.39Å; Y180-G202 WeakPolarHBondContact OH-CA 3.15Å; A187-G202 PolarHBondContact O-N 2.98Å
203V98.8Very high96.7Very high0 Ų021.9 Ų21.90%012%0.119CC..SBendtrans-101.2152.9179.5-66.10000112.1I89 V142 I144 V158 Y160 Y180 I188 S201 F205I89-V203 WeakPolarHBondContact CG2-O 3.2Å; V142-V203 HydrophobicContact CG2-CG1 3.69Å; I144-V203 HydrophobicContact CD1-CG2 4.22Å; I144-V203 HydrophobicContact CG2-CG1 4.04Å; I144-V203 HydrophobicContact CG2-CG2 4.38Å; V158-V203 HydrophobicContact CG2-CB 3.6Å; V158-V203 HydrophobicContact CG2-CG1 3.9Å; V158-V203 HydrophobicContact CG2-CG2 3.82Å; Y160-V203 HydrophobicContact CD2-CG1 4.39Å; Y180-V203 HydrophobicContact CD1-CG1 4.25Å; Y180-V203 HydrophobicContact CE1-CG1 3.37Å; I188-V203 HydrophobicContact CD1-CG2 3.81Å; I188-V203 HydrophobicContact CG1-CG2 3.86Å; S201-V203 VanDerWaalsContact C-N 3.29Å; S201-V203 WeakPolarHBondContact OG-CG2 3.3Å; S201-V203 PolarHBondContact OG-N 3.11Å; S201-V203 PolarHBondContact OG-O 3.22Å; V203-F205 PolarHBondContact O-N 3.39Å
204H98.7Very high96.5Very high4 Ų428.4 Ų28.42%0.01915%0.146CC..BIsolated β-bridgetrans-97.879.8-178.1-77.4-76.5000111.1I89 C90 Y159 E206 Y207I89-H204 WeakPolarHBondContact CG2-ND1 3.22Å; C90-H204 WeakPolarHBondContact CB-CE1 3.2Å; C90-H204 WeakPolarHBondContact CB-NE2 3.47Å; Y159-H204 HydrophobicContact CD1-CB 3.54Å; Y159-H204 AromaticContact CD1-CG 3.97Å; Y159-H204 HydrophobicContact CE1-CB 4.36Å; Y159-H204 HydrophobicContact CG-CB 4.39Å; Y159-H204 WeakPolarHBondContact O-CA 3.44Å; Y159-H204 WeakPolarHBondContact O-CB 3.49Å; Y159-H204 PolarHBondContact O-N 3.32Å; H204-E206 VanDerWaalsContact C-N 3.26Å; H204-E206 WeakPolarHBondContact CA-OE2 3.19Å; H204-E206 IonicContact CE1-OE1 3.75Å; H204-E206 IonicContact CG-OE1 3.65Å; H204-E206 IonicContact CG-OE2 2.75Å; H204-E206 IonicContact ND1-OE1 2.73Å; H204-E206 PolarHBondContact ND1-OE1 3.3Å; H204-E206 IonicContact ND1-OE2 3.66Å; H204-E206 PolarHBondContact O-N 2.89Å; H204-Y207 HydrophobicContact CB-CD2 3.6Å; H204-Y207 HydrophobicContact CB-CE2 3.99Å; H204-Y207 HydrophobicContact CB-CG 4.27Å; H204-Y207 AromaticContact CG-CD2 3.99Å; H204-Y207 AromaticContact CG-CE2 3.86Å; H204-Y207 AromaticContact ND1-CD2 3.99Å; H204-Y207 AromaticContact ND1-CE2 3.58Å
205F98.5Very high96.3Very high0 Ų028.5 Ų28.50%013%0.133CC..THydrogen-bonded Turntrans-78.1-11.9178.860.9-85.8000112.9L87 I89 V158 I188 V203 Y207 R246 L249 F250 L253L87-F205 HydrophobicContact CD1-CZ 3.85Å; I89-F205 HydrophobicContact CD1-CE1 3.89Å; I89-F205 HydrophobicContact CD1-CZ 3.91Å; I89-F205 HydrophobicContact CG1-CE1 4.05Å; I89-F205 HydrophobicContact CG1-CZ 4.35Å; V158-F205 HydrophobicContact CG1-CB 4.25Å; I188-F205 HydrophobicContact CD1-CD1 4.39Å; V203-F205 PolarHBondContact O-N 3.39Å; F205-Y207 VanDerWaalsContact C-N 3.33Å; F205-R246 WeakPolarHBondContact O-CD 3.14Å; F205-R246 VanDerWaalsContact O-CG 3.26Å; F205-R246 WeakPolarHBondContact O-CG 3.17Å; F205-R246 PolarHBondContact O-NH1 2.89Å; F205-L249 HydrophobicContact CB-CD2 3.68Å; F205-L249 HydrophobicContact CB-CG 4.34Å; F205-L249 HydrophobicContact CG-CD2 4.33Å; F205-F250 HydrophobicContact CD2-CB 3.92Å; F205-F250 AromaticContact CD2-CD2 3.36Å; F205-F250 HydrophobicContact CD2-CD2 3.36Å; F205-F250 HydrophobicContact CD2-CE2 4.29Å; F205-F250 HydrophobicContact CD2-CG 4.07Å; F205-F250 HydrophobicContact CE2-CB 4.39Å; F205-F250 AromaticContact CE2-CD2 3.33Å; F205-F250 HydrophobicContact CE2-CD2 3.33Å; F205-F250 AromaticContact CE2-CE2 3.89Å; F205-F250 HydrophobicContact CE2-CE2 3.89Å; F205-F250 HydrophobicContact CE2-CG 4.18Å; F205-L253 HydrophobicContact CD1-CD1 4.07Å; F205-L253 HydrophobicContact CD2-CD1 3.92Å; F205-L253 HydrophobicContact CE1-CD1 3.84Å; F205-L253 HydrophobicContact CE2-CB 4.4Å; F205-L253 HydrophobicContact CE2-CD1 3.7Å; F205-L253 HydrophobicContact CG-CD1 4.13Å; F205-L253 HydrophobicContact CZ-CD1 3.66Å
206E98.4Very high96.1Very high0 Ų025 Ų250%011%0.114CC..THydrogen-bonded Turntrans-74.2-21.3173.878.7-79.3-159.500113.5H21 L22 A25 I89 H204 D208 R246 F250H21-E206 HydrophobicContact CB-CG 4.02Å; L22-E206 HydrophobicContact CB-CB 4.36Å; L22-E206 HydrophobicContact CB-CG 4.08Å; L22-E206 HydrophobicContact CD1-CB 3.87Å; L22-E206 HydrophobicContact CD1-CG 4.31Å; A25-E206 HydrophobicContact CB-CB 4.18Å; I89-E206 HydrophobicContact CD1-CB 4.31Å; I89-E206 HydrophobicContact CD1-CG 4.32Å; I89-E206 WeakPolarHBondContact CD1-OE2 3.19Å; H204-E206 VanDerWaalsContact C-N 3.26Å; H204-E206 WeakPolarHBondContact CA-OE2 3.19Å; H204-E206 IonicContact CE1-OE1 3.75Å; H204-E206 IonicContact CG-OE1 3.65Å; H204-E206 IonicContact CG-OE2 2.75Å; H204-E206 IonicContact ND1-OE1 2.73Å; H204-E206 PolarHBondContact ND1-OE1 3.3Å; H204-E206 IonicContact ND1-OE2 3.66Å; H204-E206 PolarHBondContact O-N 2.89Å; E206-D208 PolarHBondContact O-N 3.14Å; E206-R246 PolarHBondContact O-NH1 3.38Å; E206-F250 HydrophobicContact CB-CD2 4.44Å; E206-F250 HydrophobicContact CB-CE2 4.19Å
207Y98.2Very high95.5Very high10 Ų1026.3 Ų26.34%0.03912%0.119CC..  trans-66.6118.4-175.1-90.5-119.2000112.2C18 H21 Y159 H204 F205 P209 L212 R246C18-Y207 HydrophobicContact CB-CE2 4.45Å; C18-Y207 PolarHBondContact SG-OH 3.27Å; H21-Y207 HydrophobicContact CB-CD2 4.04Å; H21-Y207 HydrophobicContact CB-CE2 4.33Å; H21-Y207 HydrophobicContact CB-CG 4.36Å; H21-Y207 AromaticContact CD2-CD1 3.57Å; H21-Y207 AromaticContact CD2-CE1 3.52Å; H21-Y207 AromaticContact CD2-CG 3.88Å; H21-Y207 AromaticContact CD2-CZ 3.77Å; H21-Y207 AromaticContact CE1-CD1 3.98Å; H21-Y207 AromaticContact CG-CG 3.94Å; H21-Y207 AromaticContact NE2-CD1 3.53Å; H21-Y207 AromaticContact NE2-CE1 3.67Å; Y159-Y207 AromaticContact CD1-CD1 3.43Å; Y159-Y207 HydrophobicContact CD1-CD1 3.43Å; Y159-Y207 VanDerWaalsContact CD1-CD1 3.43Å; Y159-Y207 AromaticContact CD1-CD2 3.86Å; Y159-Y207 HydrophobicContact CD1-CD2 3.86Å; Y159-Y207 AromaticContact CD1-CE1 3.64Å; Y159-Y207 HydrophobicContact CD1-CE1 3.64Å; Y159-Y207 HydrophobicContact CD1-CE2 4.04Å; Y159-Y207 AromaticContact CD1-CG 3.52Å; Y159-Y207 HydrophobicContact CD1-CG 3.52Å; Y159-Y207 AromaticContact CD1-CZ 3.93Å; Y159-Y207 HydrophobicContact CD2-CD1 4.49Å; Y159-Y207 AromaticContact CE1-CD1 3.69Å; Y159-Y207 HydrophobicContact CE1-CD1 3.69Å; Y159-Y207 HydrophobicContact CE1-CD2 4.35Å; Y159-Y207 AromaticContact CE1-CE1 3.37Å; Y159-Y207 HydrophobicContact CE1-CE1 3.37Å; Y159-Y207 HydrophobicContact CE1-CE2 4.09Å; Y159-Y207 HydrophobicContact CE1-CG 4.16Å; Y159-Y207 AromaticContact CE1-CZ 3.58Å; Y159-Y207 AromaticContact CG-CD1 3.91Å; Y159-Y207 HydrophobicContact CG-CD1 3.91Å; Y159-Y207 HydrophobicContact CG-CE1 4.44Å; Y159-Y207 HydrophobicContact CG-CG 4.06Å; Y159-Y207 AromaticContact CZ-CE1 3.9Å; H204-Y207 HydrophobicContact CB-CD2 3.6Å; H204-Y207 HydrophobicContact CB-CE2 3.99Å; H204-Y207 HydrophobicContact CB-CG 4.27Å; H204-Y207 AromaticContact CG-CD2 3.99Å; H204-Y207 AromaticContact CG-CE2 3.86Å; H204-Y207 AromaticContact ND1-CD2 3.99Å; H204-Y207 AromaticContact ND1-CE2 3.58Å; F205-Y207 VanDerWaalsContact C-N 3.33Å; Y207-P209 WeakPolarHBondContact O-CD 3.45Å; Y207-L212 HydrophobicContact CD1-CD1 4.2Å; Y207-L212 HydrophobicContact CD1-CD2 4.25Å; Y207-L212 HydrophobicContact CE1-CD1 4.14Å; Y207-R246 WeakPolarHBondContact O-CD 3.43Å; Y207-R246 VanDerWaalsContact O-CZ 3.27Å; Y207-R246 PolarHBondContact O-NE 3.27Å; Y207-R246 PolarHBondContact O-NH1 2.84Å
208D97.8Very high94Very high30 Ų3033.8 Ų33.816%0.1616%0.158CC..  trans-81.3115.5169.9178-15.5000108.7H21 N24 E206 Y210 L211 L212H21-D208 PolarHBondContact CE1-O 3.2Å; H21-D208 VanDerWaalsContact CE1-O 3.27Å; H21-D208 PolarHBondContact ND1-N 3.19Å; H21-D208 VanDerWaalsContact ND1-N 3.14Å; N24-D208 PolarHBondContact ND2-OD2 3.41Å; N24-D208 VanDerWaalsContact ND2-OD2 3.11Å; E206-D208 PolarHBondContact O-N 3.14Å; D208-Y210 PolarHBondContact O-N 3.25Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.38Å; D208-Y210 PolarHBondContact OD1-N 3.23Å; D208-L211 HydrophobicContact CB-CB 3.92Å; D208-L211 PolarHBondContact O-N 3Å; D208-L211 PolarHBondContact OD1-N 2.72Å; D208-L212 WeakPolarHBondContact O-CB 3.19Å; D208-L212 PolarHBondContact O-N 3.45Å
209P97.2Very high92.2Very high1 Ų139.7 Ų39.71%0.00619%0.194CC..Hα-helixtrans-65.3-26.5-17526.8-34.8000113.7Y207 E213 L239 K240 N243Y207-P209 WeakPolarHBondContact O-CD 3.45Å; P209-E213 PolarHBondContact O-N 3.25Å; P209-L239 HydrophobicContact CB-CB 3.7Å; P209-L239 HydrophobicContact CG-CB 4.44Å; P209-K240 HydrophobicContact CB-CG 3.81Å; P209-K240 HydrophobicContact CG-CG 4.12Å; P209-N243 WeakPolarHBondContact CD-OD1 3.02Å; P209-N243 HydrophobicContact CG-CB 4.04Å
210Y96.1Very high90.4Very high128 Ų12843.7 Ų43.750%0.50222%0.215SC..Hα-helixtrans-75.5-37.8176.4-60.8-81.9000111.3D208 K214 K240D208-Y210 PolarHBondContact O-N 3.25Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.38Å; D208-Y210 PolarHBondContact OD1-N 3.23Å; Y210-K214 PolarHBondContact O-N 2.92Å; Y210-K240 HydrophobicContact CD1-CD 4.13Å; Y210-K240 HydrophobicContact CD1-CG 4.31Å; Y210-K240 HydrophobicContact CE1-CD 3.82Å; Y210-K240 HydrophobicContact CE1-CG 4.01Å
211L95.4Very high88.6Confident41 Ų4144 Ų4422%0.21522%0.217CC..Hα-helixtrans-68.8-39173.5-178.958.9000111.4I20 N24 D208 K214 Q215I20-L211 HydrophobicContact CG2-CD2 3.83Å; N24-L211 HydrophobicContact CB-CD2 4.47Å; D208-L211 HydrophobicContact CB-CB 3.92Å; D208-L211 PolarHBondContact O-N 3Å; D208-L211 PolarHBondContact OD1-N 2.72Å; L211-K214 PolarHBondContact O-N 3.46Å; L211-Q215 HydrophobicContact CD1-CG 4.48Å; L211-Q215 WeakPolarHBondContact O-CG 3.42Å; L211-Q215 PolarHBondContact O-N 3.38Å
212L95.1Very high86.9Confident0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-60.5-47176.1177.960.3000110.9Y159 Y207 D208 K214 Q215 L216 F235 I236 L239Y159-L212 HydrophobicContact CD2-CD2 3.88Å; Y159-L212 HydrophobicContact CE2-CD2 3.96Å; Y207-L212 HydrophobicContact CD1-CD1 4.2Å; Y207-L212 HydrophobicContact CD1-CD2 4.25Å; Y207-L212 HydrophobicContact CE1-CD1 4.14Å; D208-L212 WeakPolarHBondContact O-CB 3.19Å; D208-L212 PolarHBondContact O-N 3.45Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.95Å; L212-Q215 PolarHBondContact O-N 2.92Å; L212-Q215 VanDerWaalsContact O-N 3.11Å; L212-L216 HydrophobicContact CD1-CD1 3.9Å; L212-L216 HydrophobicContact CD1-CG 4.09Å; L212-L216 HydrophobicContact CG-CD1 4.05Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 2.92Å; L212-F235 HydrophobicContact CD2-CE2 3.75Å; L212-F235 HydrophobicContact CD2-CZ 4.11Å; L212-I236 HydrophobicContact CD2-CG1 4.25Å; L212-I236 HydrophobicContact CG-CG1 4.49Å; L212-L239 HydrophobicContact CD2-CD1 4.18Å
213E93.8Very high85Confident45 Ų4557.3 Ų57.321%0.2128%0.282CS..Hα-helixtrans-54.1-49.3175.1-172.8180-137.700111.9P209 Q215 L216 Y217 I236 K240P209-E213 PolarHBondContact O-N 3.25Å; E213-Q215 VanDerWaalsContact C-N 3.27Å; E213-Q215 PolarHBondContact O-N 3.41Å; E213-L216 PolarHBondContact O-N 2.54Å; E213-L216 VanDerWaalsContact O-N 3.14Å; E213-Y217 HydrophobicContact CG-CD2 3.69Å; E213-Y217 HydrophobicContact CG-CE2 4.18Å; E213-Y217 WeakPolarHBondContact O-CD2 3.23Å; E213-Y217 PolarHBondContact O-N 2.67Å; E213-I236 HydrophobicContact CB-CD1 4.47Å; E213-I236 HydrophobicContact CB-CG2 3.97Å; E213-I236 HydrophobicContact CG-CG2 4.37Å; E213-K240 IonicContact OE1-NZ 2.69Å; E213-K240 PolarHBondContact OE1-NZ 3.49Å; E213-K240 WeakPolarHBondContact OE2-CE 3.18Å; E213-K240 IonicContact OE2-NZ 3.14Å; E213-K240 PolarHBondContact OE2-NZ 2.87Å
214K91.8Very high83.2Confident160 Ų16060.7 Ų60.770%0.69630%0.3SS*.Hα-helixtrans-63.1-32.1179-174.6179177.3-177.60112.8Y210 L211 L212Y210-K214 PolarHBondContact O-N 2.92Å; L211-K214 PolarHBondContact O-N 3.46Å; L212-K214 VanDerWaalsContact C-N 3.33Å; L212-K214 PolarHBondContact O-N 2.95Å
215Q89.7Confident81.6Confident54 Ų5467.8 Ų67.825%0.25234%0.338SS..Hα-helixtrans-75.2-25.7176.6-74.6178-10.300113H21 L211 L212 E213H21-Q215 PolarHBondContact NE2-OE1 3.27Å; L211-Q215 HydrophobicContact CD1-CG 4.48Å; L211-Q215 WeakPolarHBondContact O-CG 3.42Å; L211-Q215 PolarHBondContact O-N 3.38Å; L212-Q215 PolarHBondContact O-N 2.92Å; L212-Q215 VanDerWaalsContact O-N 3.11Å; E213-Q215 VanDerWaalsContact C-N 3.27Å; E213-Q215 PolarHBondContact O-N 3.41Å
216L86.2Confident80.5Confident42 Ų4271.9 Ų71.922%0.2236%0.36CS..Hα-helixtrans-92.3-28.8-179.8-65.3180000113E136 L212 E213 F235 I236E136-L216 HydrophobicContact CG-CD1 3.82Å; E136-L216 HydrophobicContact CG-CD2 3.41Å; E136-L216 VanDerWaalsContact CG-CD2 3.41Å; E136-L216 HydrophobicContact CG-CG 4.26Å; L212-L216 HydrophobicContact CD1-CD1 3.9Å; L212-L216 HydrophobicContact CD1-CG 4.09Å; L212-L216 HydrophobicContact CG-CD1 4.05Å; L212-L216 WeakPolarHBondContact O-CG 3.44Å; L212-L216 PolarHBondContact O-N 2.92Å; E213-L216 PolarHBondContact O-N 2.54Å; E213-L216 VanDerWaalsContact O-N 3.14Å; L216-F235 HydrophobicContact CD1-CZ 4.28Å; L216-I236 HydrophobicContact CD1-CD1 3.69Å
217Y81.4Confident79.3Confident29 Ų2976.4 Ų76.411%0.11439%0.387CS..  trans-122.7117.5-174.5-55.4-57.8000111.8E213 V219 P221 T229 N232 Y233 I236E213-Y217 HydrophobicContact CG-CD2 3.69Å; E213-Y217 HydrophobicContact CG-CE2 4.18Å; E213-Y217 WeakPolarHBondContact O-CD2 3.23Å; E213-Y217 PolarHBondContact O-N 2.67Å; Y217-V219 VanDerWaalsContact C-N 3.29Å; Y217-V219 WeakPolarHBondContact CB-O 3.3Å; Y217-P221 HydrophobicContact CD1-CB 3.76Å; Y217-P221 HydrophobicContact CD1-CG 4.32Å; Y217-P221 HydrophobicContact CD2-CB 4.01Å; Y217-P221 HydrophobicContact CD2-CG 3.69Å; Y217-P221 HydrophobicContact CE1-CB 3.61Å; Y217-P221 HydrophobicContact CE1-CG 4.36Å; Y217-P221 HydrophobicContact CE2-CB 3.83Å; Y217-P221 HydrophobicContact CE2-CG 3.7Å; Y217-P221 HydrophobicContact CG-CB 3.95Å; Y217-P221 HydrophobicContact CG-CG 3.99Å; Y217-T229 HydrophobicContact CD1-CG2 4.43Å; Y217-T229 HydrophobicContact CE1-CG2 3.65Å; Y217-T229 PolarHBondContact OH-O 2.9Å; Y217-N232 VanDerWaalsContact OH-C 3.28Å; Y217-N232 WeakPolarHBondContact OH-CB 3.3Å; Y217-Y233 WeakPolarHBondContact OH-CA 3.2Å; Y217-Y233 PolarHBondContact OH-N 2.87Å; Y217-I236 HydrophobicContact CE2-CD1 3.81Å
218N66.1Low78.2Confident165 Ų16578 Ų7888%0.88240%0.402SS*.SBendtrans-79.2-14.7167.3-70.1-17.6000112.4
219V58Low77.2Confident123 Ų12377.4 Ų77.475%0.74540%0.4SS*.SBendtrans-147153.2-174.5-130.30000109Y217 P221Y217-V219 VanDerWaalsContact C-N 3.29Å; Y217-V219 WeakPolarHBondContact CB-O 3.3Å; V219-P221 WeakPolarHBondContact O-CD 3.39Å; V219-P221 VanDerWaalsContact O-N 3.12Å
220D61.4Low76.2Confident86 Ų8681 Ų8146%0.4642%0.419SS..  trans-51.6116.2-177.6-173.7-13.9000111.9K222 N223D220-K222 PolarHBondContact O-N 3.3Å; D220-K222 WeakPolarHBondContact OD1-CB 3.49Å; D220-K222 WeakPolarHBondContact OD1-CG 3.46Å; D220-K222 PolarHBondContact OD1-N 2.94Å; D220-N223 PolarHBondContact O-N 3.42Å
221P61.1Low75.5Confident7 Ų781.5 Ų81.55%0.04542%0.424CS..G310 helixtrans-64-20.5-177.325.1-34.9000113.8Y217 V219 N223 N224 T229 Y233Y217-P221 HydrophobicContact CD1-CB 3.76Å; Y217-P221 HydrophobicContact CD1-CG 4.32Å; Y217-P221 HydrophobicContact CD2-CB 4.01Å; Y217-P221 HydrophobicContact CD2-CG 3.69Å; Y217-P221 HydrophobicContact CE1-CB 3.61Å; Y217-P221 HydrophobicContact CE1-CG 4.36Å; Y217-P221 HydrophobicContact CE2-CB 3.83Å; Y217-P221 HydrophobicContact CE2-CG 3.7Å; Y217-P221 HydrophobicContact CG-CB 3.95Å; Y217-P221 HydrophobicContact CG-CG 3.99Å; V219-P221 WeakPolarHBondContact O-CD 3.39Å; V219-P221 VanDerWaalsContact O-N 3.12Å; P221-N223 PolarHBondContact O-N 3.02Å; P221-N223 VanDerWaalsContact O-N 3.09Å; P221-N224 PolarHBondContact O-N 2.89Å; P221-T229 HydrophobicContact CB-CG2 3.94Å; P221-Y233 HydrophobicContact CB-CD2 4.03Å; P221-Y233 HydrophobicContact CG-CD2 3.37Å; P221-Y233 HydrophobicContact CG-CE2 3.82Å; P221-Y233 HydrophobicContact CG-CG 4.34Å
222K62.4Low75Confident140 Ų14081 Ų8161%0.60942%0.421SS*.G310 helixtrans-62.3-16.5178.1-67.7178.6-178.8174.30113.6D220 Y233D220-K222 PolarHBondContact O-N 3.3Å; D220-K222 WeakPolarHBondContact OD1-CB 3.49Å; D220-K222 WeakPolarHBondContact OD1-CG 3.46Å; D220-K222 PolarHBondContact OD1-N 2.94Å; K222-Y233 WeakPolarHBondContact CE-OH 3.49Å; K222-Y233 HydrophobicContact CG-CE2 4.43Å
223N59.5Low74.6Confident139 Ų13983.2 Ų83.274%0.74343%0.43SS*.G310 helixtrans-98.110.1178.1-62-41.4000113.3D220 P221D220-N223 PolarHBondContact O-N 3.42Å; P221-N223 PolarHBondContact O-N 3.02Å; P221-N223 VanDerWaalsContact O-N 3.09Å
224N61.2Low74.3Confident71 Ų7187.3 Ų87.338%0.3845%0.449SS..  trans-119.9110.8-175.8-172.1-13000111.8P221 N226 T229P221-N224 PolarHBondContact O-N 2.89Å; N224-N226 PolarHBondContact O-N 3.21Å; N224-N226 VanDerWaalsContact OD1-CB 3.27Å; N224-N226 WeakPolarHBondContact OD1-CB 3.49Å; N224-N226 PolarHBondContact OD1-N 3.01Å; N224-N226 VanDerWaalsContact OD1-N 3.11Å; N224-T229 HydrophobicContact CB-CG2 3.74Å; N224-T229 PolarHBondContact ND2-OG1 2.82Å
225D65.6Low74.3Confident152 Ų15280.7 Ų80.781%0.81342%0.42SS*.  trans-75.34.7-178.2-64.9-32.1000114.4V227D225-V227 PolarHBondContact O-N 3.32Å
226N74.2Confident74.5Confident86 Ų8678.1 Ų78.146%0.4641%0.408SS..  trans-69.4121.9177-177.6-18.4000110.9N224 A228 T229 L230N224-N226 PolarHBondContact O-N 3.21Å; N224-N226 VanDerWaalsContact OD1-CB 3.27Å; N224-N226 WeakPolarHBondContact OD1-CB 3.49Å; N224-N226 PolarHBondContact OD1-N 3.01Å; N224-N226 VanDerWaalsContact OD1-N 3.11Å; N226-A228 PolarHBondContact O-N 2.87Å; N226-A228 VanDerWaalsContact O-N 3.14Å; N226-A228 PolarHBondContact OD1-N 2.9Å; N226-T229 WeakPolarHBondContact O-CA 3.47Å; N226-T229 VanDerWaalsContact O-CB 3.26Å; N226-T229 WeakPolarHBondContact O-CB 3.43Å; N226-T229 PolarHBondContact O-N 3.22Å; N226-L230 PolarHBondContact O-N 3.46Å
227V73.6Confident75Confident96 Ų9678.9 Ų78.958%0.58241%0.41SS*.Hα-helixtrans-50.6-39.1178.1178.90000113.2D225 T229 L230 K231D225-V227 PolarHBondContact O-N 3.32Å; V227-T229 VanDerWaalsContact C-N 3.35Å; V227-L230 PolarHBondContact O-N 2.94Å; V227-K231 WeakPolarHBondContact O-CG 3.36Å; V227-K231 PolarHBondContact O-N 2.91Å
228A74.9Confident75.7Confident43 Ų4380.3 Ų80.336%0.35542%0.422SS..Hα-helixtrans-67.9-36.5176.700000111.8N226 N232N226-A228 PolarHBondContact O-N 2.87Å; N226-A228 VanDerWaalsContact O-N 3.14Å; N226-A228 PolarHBondContact OD1-N 2.9Å; A228-N232 WeakPolarHBondContact O-CB 3.36Å; A228-N232 PolarHBondContact O-N 3.17Å; A228-N232 PolarHBondContact O-OD1 2.91Å
229T77.4Confident77.2Confident17 Ų1772.9 Ų72.910%0.10438%0.382CS..Hα-helixtrans-66.1-42.4175.2-64.10000111.4Y217 P221 N224 N226 V227 N232 Y233Y217-T229 HydrophobicContact CD1-CG2 4.43Å; Y217-T229 HydrophobicContact CE1-CG2 3.65Å; Y217-T229 PolarHBondContact OH-O 2.9Å; P221-T229 HydrophobicContact CB-CG2 3.94Å; N224-T229 HydrophobicContact CB-CG2 3.74Å; N224-T229 PolarHBondContact ND2-OG1 2.82Å; N226-T229 WeakPolarHBondContact O-CA 3.47Å; N226-T229 VanDerWaalsContact O-CB 3.26Å; N226-T229 WeakPolarHBondContact O-CB 3.43Å; N226-T229 PolarHBondContact O-N 3.22Å; V227-T229 VanDerWaalsContact C-N 3.35Å; T229-N232 PolarHBondContact O-N 3.48Å; T229-Y233 PolarHBondContact O-N 3.07Å
230L75.4Confident79.1Confident78 Ų7868.5 Ų68.541%0.40835%0.353SS..Hα-helixtrans-64.5-45.8177.1-68.2172.9000112.5N226 V227 N232 Y233 E234N226-L230 PolarHBondContact O-N 3.46Å; V227-L230 PolarHBondContact O-N 2.94Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.89Å; L230-Y233 WeakPolarHBondContact O-CB 3.36Å; L230-Y233 PolarHBondContact O-N 3.05Å; L230-Y233 VanDerWaalsContact O-N 3.11Å; L230-E234 PolarHBondContact O-N 3.31Å
231K81.4Confident80.9Confident138 Ų13869.9 Ų69.960%0.637%0.365SS*.Hα-helixtrans-59.3-41.8174.8-75.7-177.1177.8-175.30112.1V227 Y233 E234 F235V227-K231 WeakPolarHBondContact O-CG 3.36Å; V227-K231 PolarHBondContact O-N 2.91Å; K231-Y233 VanDerWaalsContact C-N 3.27Å; K231-Y233 PolarHBondContact O-N 3.46Å; K231-E234 PolarHBondContact O-N 3.48Å; K231-F235 WeakPolarHBondContact O-CD1 3.45Å; K231-F235 PolarHBondContact O-N 2.84Å
232N85Confident82.6Confident31 Ų3171.6 Ų71.617%0.16637%0.374CS..Hα-helixtrans-61.4-40176.5-73.9-3000111.6Y217 A228 T229 L230 F235 I236Y217-N232 VanDerWaalsContact OH-C 3.28Å; Y217-N232 WeakPolarHBondContact OH-CB 3.3Å; A228-N232 WeakPolarHBondContact O-CB 3.36Å; A228-N232 PolarHBondContact O-N 3.17Å; A228-N232 PolarHBondContact O-OD1 2.91Å; T229-N232 PolarHBondContact O-N 3.48Å; L230-N232 VanDerWaalsContact C-N 3.29Å; L230-N232 PolarHBondContact O-N 2.89Å; N232-F235 VanDerWaalsContact CA-CE1 3.41Å; N232-F235 HydrophobicContact CB-CD1 4.34Å; N232-F235 HydrophobicContact CB-CE1 3.85Å; N232-F235 WeakPolarHBondContact O-CD1 3.42Å; N232-F235 WeakPolarHBondContact O-CE1 3.14Å; N232-I236 WeakPolarHBondContact O-CB 3.45Å; N232-I236 WeakPolarHBondContact O-CD1 3.45Å; N232-I236 WeakPolarHBondContact O-CG1 3.39Å; N232-I236 PolarHBondContact O-N 3.37Å; N232-I236 VanDerWaalsContact O-N 3.13Å
233Y86.2Confident84.3Confident45 Ų4566 Ų6618%0.17635%0.351CS..Hα-helixtrans-66.8-46.7-179.5-178.2-98.1000111.6Y217 P221 K222 T229 L230 K231 F235 I236 E237Y217-Y233 WeakPolarHBondContact OH-CA 3.2Å; Y217-Y233 PolarHBondContact OH-N 2.87Å; P221-Y233 HydrophobicContact CB-CD2 4.03Å; P221-Y233 HydrophobicContact CG-CD2 3.37Å; P221-Y233 HydrophobicContact CG-CE2 3.82Å; P221-Y233 HydrophobicContact CG-CG 4.34Å; K222-Y233 WeakPolarHBondContact CE-OH 3.49Å; K222-Y233 HydrophobicContact CG-CE2 4.43Å; T229-Y233 PolarHBondContact O-N 3.07Å; L230-Y233 WeakPolarHBondContact O-CB 3.36Å; L230-Y233 PolarHBondContact O-N 3.05Å; L230-Y233 VanDerWaalsContact O-N 3.11Å; K231-Y233 VanDerWaalsContact C-N 3.27Å; K231-Y233 PolarHBondContact O-N 3.46Å; Y233-F235 PolarHBondContact O-N 3.36Å; Y233-I236 PolarHBondContact O-N 3.21Å; Y233-E237 HydrophobicContact CD1-CG 4.1Å; Y233-E237 HydrophobicContact CE1-CG 3.59Å; Y233-E237 HydrophobicContact CE2-CG 4.09Å; Y233-E237 WeakPolarHBondContact O-CG 3.26Å; Y233-E237 PolarHBondContact O-N 2.56Å
234E88.6Confident86.1Confident131 Ų13164.1 Ų64.161%0.61235%0.349SS*.Hα-helixtrans-59.5-43.2179.3-71.6176.617600113L230 K231 T238L230-E234 PolarHBondContact O-N 3.31Å; K231-E234 PolarHBondContact O-N 3.48Å; E234-T238 PolarHBondContact O-N 3.31Å; E234-T238 VanDerWaalsContact O-N 3.14Å; E234-T238 PolarHBondContact O-OG1 2.73Å
235F90.9Very high87.9Confident21 Ų2162 Ų629%0.09234%0.34CS..Hα-helixtrans-69.8-37.2178.691.5-109.7000111.3Y159 L212 L216 K231 N232 Y233 T238 L239Y159-F235 AromaticContact CD2-CE2 3.98Å; Y159-F235 HydrophobicContact CD2-CE2 3.98Å; Y159-F235 HydrophobicContact CE2-CE2 4.04Å; Y159-F235 HydrophobicContact CE2-CZ 4.3Å; L212-F235 HydrophobicContact CD2-CE2 3.75Å; L212-F235 HydrophobicContact CD2-CZ 4.11Å; L216-F235 HydrophobicContact CD1-CZ 4.28Å; K231-F235 WeakPolarHBondContact O-CD1 3.45Å; K231-F235 PolarHBondContact O-N 2.84Å; N232-F235 VanDerWaalsContact CA-CE1 3.41Å; N232-F235 HydrophobicContact CB-CD1 4.34Å; N232-F235 HydrophobicContact CB-CE1 3.85Å; N232-F235 WeakPolarHBondContact O-CD1 3.42Å; N232-F235 WeakPolarHBondContact O-CE1 3.14Å; Y233-F235 PolarHBondContact O-N 3.36Å; F235-T238 WeakPolarHBondContact O-CB 3.17Å; F235-T238 PolarHBondContact O-N 2.93Å; F235-L239 HydrophobicContact CD2-CD1 3.73Å; F235-L239 HydrophobicContact CD2-CG 4.4Å; F235-L239 HydrophobicContact CE2-CD1 3.79Å; F235-L239 WeakPolarHBondContact O-CG 3.42Å; F235-L239 PolarHBondContact O-N 2.84Å
236I94.6Very high89.4Confident0 Ų055.4 Ų55.40%030%0.303CS..Hα-helixtrans-64.7-44.4177.3-71.8168.8000111L212 E213 L216 Y217 N232 Y233 T238 L239 K240L212-I236 HydrophobicContact CD2-CG1 4.25Å; L212-I236 HydrophobicContact CG-CG1 4.49Å; E213-I236 HydrophobicContact CB-CD1 4.47Å; E213-I236 HydrophobicContact CB-CG2 3.97Å; E213-I236 HydrophobicContact CG-CG2 4.37Å; L216-I236 HydrophobicContact CD1-CD1 3.69Å; Y217-I236 HydrophobicContact CE2-CD1 3.81Å; N232-I236 WeakPolarHBondContact O-CB 3.45Å; N232-I236 WeakPolarHBondContact O-CD1 3.45Å; N232-I236 WeakPolarHBondContact O-CG1 3.39Å; N232-I236 PolarHBondContact O-N 3.37Å; N232-I236 VanDerWaalsContact O-N 3.13Å; Y233-I236 PolarHBondContact O-N 3.21Å; I236-T238 PolarHBondContact O-N 2.85Å; I236-L239 WeakPolarHBondContact O-CB 3.36Å; I236-L239 PolarHBondContact O-N 3.26Å; I236-K240 HydrophobicContact CG2-CD 4.36Å; I236-K240 HydrophobicContact CG2-CG 4.38Å; I236-K240 WeakPolarHBondContact O-CG 3.35Å; I236-K240 PolarHBondContact O-N 3.1Å
237E95.8Very high90.5Very high58 Ų5852.2 Ų52.227%0.27129%0.286SS..Hα-helixtrans-60.6-37.3176.1-71.6-56.9117.400111.9Y233 K240 T241Y233-E237 HydrophobicContact CD1-CG 4.1Å; Y233-E237 HydrophobicContact CE1-CG 3.59Å; Y233-E237 HydrophobicContact CE2-CG 4.09Å; Y233-E237 WeakPolarHBondContact O-CG 3.26Å; Y233-E237 PolarHBondContact O-N 2.56Å; E237-K240 PolarHBondContact O-N 3.13Å; E237-K240 WeakPolarHBondContact OE1-CD 3.39Å; E237-K240 WeakPolarHBondContact OE1-CE 3.48Å; E237-K240 IonicContact OE1-NZ 2.77Å; E237-K240 PolarHBondContact OE1-NZ 2.92Å; E237-T241 WeakPolarHBondContact O-CB 3.5Å; E237-T241 PolarHBondContact O-N 2.86Å; E237-T241 PolarHBondContact O-OG1 2.94Å
238T97.2Very high91.7Very high59 Ų5951.3 Ų51.336%0.36227%0.274SS..Hα-helixtrans-61.4-44.5172.6-57.60000111.2A141 I157 E234 F235 I236 N242A141-T238 HydrophobicContact CB-CG2 3.87Å; I157-T238 HydrophobicContact CG2-CG2 4.14Å; E234-T238 PolarHBondContact O-N 3.31Å; E234-T238 VanDerWaalsContact O-N 3.14Å; E234-T238 PolarHBondContact O-OG1 2.73Å; F235-T238 WeakPolarHBondContact O-CB 3.17Å; F235-T238 PolarHBondContact O-N 2.93Å; I236-T238 PolarHBondContact O-N 2.85Å; T238-N242 PolarHBondContact O-N 2.72Å; T238-N242 PolarHBondContact O-ND2 2.84Å
239L97.9Very high92.8Very high9 Ų949.3 Ų49.35%0.04726%0.257CS..Hα-helixtrans-65.1-42.3176.3-65.2171.7000112.3A141 I157 V158 Y159 P209 L212 F235 I236 T241 N242 N243A141-L239 HydrophobicContact CB-CD2 3.76Å; A141-L239 HydrophobicContact CB-CG 3.95Å; I157-L239 HydrophobicContact CG2-CD2 4.39Å; V158-L239 VanDerWaalsContact C-CD2 3.4Å; Y159-L239 HydrophobicContact CD2-CD1 4.09Å; P209-L239 HydrophobicContact CB-CB 3.7Å; P209-L239 HydrophobicContact CG-CB 4.44Å; L212-L239 HydrophobicContact CD2-CD1 4.18Å; F235-L239 HydrophobicContact CD2-CD1 3.73Å; F235-L239 HydrophobicContact CD2-CG 4.4Å; F235-L239 HydrophobicContact CE2-CD1 3.79Å; F235-L239 WeakPolarHBondContact O-CG 3.42Å; F235-L239 PolarHBondContact O-N 2.84Å; I236-L239 WeakPolarHBondContact O-CB 3.36Å; I236-L239 PolarHBondContact O-N 3.26Å; L239-T241 PolarHBondContact O-N 3.04Å; L239-N242 CarbonylContact O-C 3.09Å; L239-N242 PolarHBondContact O-N 3.47Å; L239-N242 VanDerWaalsContact O-N 3.13Å; L239-N243 PolarHBondContact O-N 3.06Å
240K97.9Very high93.8Very high31 Ų3148.5 Ų48.514%0.13525%0.252CS..Hα-helixtrans-59.6-46.2177.4-72.4179-175.7166.60111.7P209 Y210 E213 I236 E237 N242 N243P209-K240 HydrophobicContact CB-CG 3.81Å; P209-K240 HydrophobicContact CG-CG 4.12Å; Y210-K240 HydrophobicContact CD1-CD 4.13Å; Y210-K240 HydrophobicContact CD1-CG 4.31Å; Y210-K240 HydrophobicContact CE1-CD 3.82Å; Y210-K240 HydrophobicContact CE1-CG 4.01Å; E213-K240 IonicContact OE1-NZ 2.69Å; E213-K240 PolarHBondContact OE1-NZ 3.49Å; E213-K240 WeakPolarHBondContact OE2-CE 3.18Å; E213-K240 IonicContact OE2-NZ 3.14Å; E213-K240 PolarHBondContact OE2-NZ 2.87Å; I236-K240 HydrophobicContact CG2-CD 4.36Å; I236-K240 HydrophobicContact CG2-CG 4.38Å; I236-K240 WeakPolarHBondContact O-CG 3.35Å; I236-K240 PolarHBondContact O-N 3.1Å; E237-K240 PolarHBondContact O-N 3.13Å; E237-K240 WeakPolarHBondContact OE1-CD 3.39Å; E237-K240 WeakPolarHBondContact OE1-CE 3.48Å; E237-K240 IonicContact OE1-NZ 2.77Å; E237-K240 PolarHBondContact OE1-NZ 2.92Å; K240-N242 PolarHBondContact O-N 3.39Å; K240-N242 VanDerWaalsContact O-N 3.16Å; K240-N243 WeakPolarHBondContact O-CB 3.4Å; K240-N243 PolarHBondContact O-N 3.36Å; K240-N243 VanDerWaalsContact O-N 3.13Å
241T97.9Very high94.8Very high115 Ų11548.5 Ų48.571%0.70625%0.25SS*.Hα-helixtrans-59.1-27.5178.3-56.80000112E237 L239E237-T241 WeakPolarHBondContact O-CB 3.5Å; E237-T241 PolarHBondContact O-N 2.86Å; E237-T241 PolarHBondContact O-OG1 2.94Å; L239-T241 PolarHBondContact O-N 3.04Å
242N97.9Very high95.4Very high44 Ų4442.9 Ų42.924%0.23523%0.228CC..THydrogen-bonded Turntrans-10712.1-178.2-68.6-85.2000113.8I157 T238 L239 K240 S244 S245 R246I157-N242 HydrophobicContact CB-CB 3.8Å; T238-N242 PolarHBondContact O-N 2.72Å; T238-N242 PolarHBondContact O-ND2 2.84Å; L239-N242 CarbonylContact O-C 3.09Å; L239-N242 PolarHBondContact O-N 3.47Å; L239-N242 VanDerWaalsContact O-N 3.13Å; K240-N242 PolarHBondContact O-N 3.39Å; K240-N242 VanDerWaalsContact O-N 3.16Å; N242-S244 VanDerWaalsContact C-N 3.26Å; N242-S244 PolarHBondContact O-N 3.24Å; N242-S245 PolarHBondContact O-N 2.71Å; N242-S245 VanDerWaalsContact O-N 3.17Å; N242-S245 PolarHBondContact O-OG 2.86Å; N242-R246 PolarHBondContact O-N 2.93Å
243N97.9Very high96Very high22 Ų2241.5 Ų41.512%0.11822%0.22CC..Hα-helixtrans-61.6-32.6-172.6-171.740000113.2P209 L239 K240 S245 R246 L247P209-N243 WeakPolarHBondContact CD-OD1 3.02Å; P209-N243 HydrophobicContact CG-CB 4.04Å; L239-N243 PolarHBondContact O-N 3.06Å; K240-N243 WeakPolarHBondContact O-CB 3.4Å; K240-N243 PolarHBondContact O-N 3.36Å; K240-N243 VanDerWaalsContact O-N 3.13Å; N243-S245 PolarHBondContact O-N 3.39Å; N243-R246 PolarHBondContact O-N 3.25Å; N243-R246 VanDerWaalsContact OD1-CZ 3.31Å; N243-R246 PolarHBondContact OD1-NE 3.2Å; N243-R246 PolarHBondContact OD1-NH2 3.23Å; N243-L247 WeakPolarHBondContact O-CB 3.31Å; N243-L247 WeakPolarHBondContact O-CG 3.44Å; N243-L247 PolarHBondContact O-N 3.39Å
244S97.5Very high96.4Very high100 Ų10039.4 Ų39.470%0.69921%0.212SC*.Hα-helixtrans-63.6-39.8178.5-58.10000112.8N242 K248N242-S244 VanDerWaalsContact C-N 3.26Å; N242-S244 PolarHBondContact O-N 3.24Å; S244-K248 WeakPolarHBondContact O-CB 3.29Å; S244-K248 PolarHBondContact O-N 3.43Å
245S97.6Very high96.7Very high27 Ų2736.7 Ų36.719%0.18921%0.205CC..Hα-helixtrans-72.3-38.5177.562.20000111P153 N242 N243 K248 L249P153-S245 WeakPolarHBondContact CG-O 3.28Å; N242-S245 PolarHBondContact O-N 2.71Å; N242-S245 VanDerWaalsContact O-N 3.17Å; N242-S245 PolarHBondContact O-OG 2.86Å; N243-S245 PolarHBondContact O-N 3.39Å; S245-K248 PolarHBondContact O-N 2.98Å; S245-L249 WeakPolarHBondContact O-CB 3.44Å; S245-L249 PolarHBondContact O-N 3.2Å
246R98.1Very high96.8Very high12 Ų1236.6 Ų36.65%0.04521%0.205CC..Hα-helixtrans-57.5-47.9170.9-178.3-153.867.2104.3-13.3112.1V158 F205 E206 Y207 N242 N243 K248 L249 F250V158-R246 HydrophobicContact CG1-CB 4.48Å; V158-R246 HydrophobicContact CG1-CG 4.25Å; F205-R246 WeakPolarHBondContact O-CD 3.14Å; F205-R246 VanDerWaalsContact O-CG 3.26Å; F205-R246 WeakPolarHBondContact O-CG 3.17Å; F205-R246 PolarHBondContact O-NH1 2.89Å; E206-R246 PolarHBondContact O-NH1 3.38Å; Y207-R246 WeakPolarHBondContact O-CD 3.43Å; Y207-R246 VanDerWaalsContact O-CZ 3.27Å; Y207-R246 PolarHBondContact O-NE 3.27Å; Y207-R246 PolarHBondContact O-NH1 2.84Å; N242-R246 PolarHBondContact O-N 2.93Å; N243-R246 PolarHBondContact O-N 3.25Å; N243-R246 VanDerWaalsContact OD1-CZ 3.31Å; N243-R246 PolarHBondContact OD1-NE 3.2Å; N243-R246 PolarHBondContact OD1-NH2 3.23Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.29Å; R246-L249 WeakPolarHBondContact O-CB 3.47Å; R246-L249 PolarHBondContact O-N 2.76Å; R246-F250 PolarHBondContact O-N 2.7Å
247L97.7Very high96.7Very high19 Ų1936.7 Ų36.710%0.09921%0.205CC..Hα-helixtrans-62.1-41.8178.2-76.8170.8000111.9Y28 N243 L249 F250 E251Y28-L247 HydrophobicContact CD1-CD1 4.4Å; Y28-L247 HydrophobicContact CD1-CD2 3.46Å; Y28-L247 VanDerWaalsContact CD1-CD2 3.46Å; Y28-L247 HydrophobicContact CD1-CG 4.46Å; Y28-L247 HydrophobicContact CE1-CB 4.41Å; Y28-L247 HydrophobicContact CE1-CD1 3.63Å; Y28-L247 HydrophobicContact CE1-CD2 3.52Å; Y28-L247 HydrophobicContact CE1-CG 4.05Å; Y28-L247 HydrophobicContact CE2-CD1 4.22Å; Y28-L247 HydrophobicContact CG-CD2 4.03Å; Y28-L247 WeakPolarHBondContact OH-CD1 3.45Å; N243-L247 WeakPolarHBondContact O-CB 3.31Å; N243-L247 WeakPolarHBondContact O-CG 3.44Å; N243-L247 PolarHBondContact O-N 3.39Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.47Å; L247-F250 PolarHBondContact O-N 2.82Å; L247-E251 PolarHBondContact O-N 2.69Å
248K97.5Very high96.5Very high78 Ų7834.9 Ų34.934%0.33920%0.197SC..Hα-helixtrans-64.9-37.3175.4-170.468.4-160.9166.60112.2I152 S244 S245 R246 E251 T252I152-K248 HydrophobicContact CG2-CG 3.91Å; S244-K248 WeakPolarHBondContact O-CB 3.29Å; S244-K248 PolarHBondContact O-N 3.43Å; S245-K248 PolarHBondContact O-N 2.98Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 3.29Å; K248-E251 WeakPolarHBondContact CD-OE2 3.46Å; K248-E251 IonicContact NZ-OE1 2.7Å; K248-E251 IonicContact NZ-OE2 2.76Å; K248-E251 PolarHBondContact NZ-OE2 3.09Å; K248-E251 PolarHBondContact O-N 3.18Å; K248-T252 WeakPolarHBondContact O-CB 3.32Å; K248-T252 PolarHBondContact O-N 2.93Å; K248-T252 PolarHBondContact O-OG1 3.47Å; K248-T252 VanDerWaalsContact O-OG1 3.1Å
249L98.3Very high95.9Very high0 Ų034.4 Ų34.40%019%0.193CC..Hα-helixtrans-61.4-49.3173.2174.469.6000110.8I144 P153 A156 V158 Y178 I188 F205 S245 R246 L247 E251 T252 L253I144-L249 HydrophobicContact CD1-CD1 4.39Å; I144-L249 HydrophobicContact CD1-CD2 3.6Å; P153-L249 HydrophobicContact CG-CB 4.18Å; A156-L249 HydrophobicContact CB-CB 4.45Å; A156-L249 HydrophobicContact CB-CD2 4.01Å; V158-L249 HydrophobicContact CG1-CD2 3.78Å; Y178-L249 HydrophobicContact CD1-CD1 4.43Å; Y178-L249 HydrophobicContact CD2-CD1 4.05Å; Y178-L249 HydrophobicContact CE1-CD1 3.91Å; Y178-L249 HydrophobicContact CE2-CD1 3.48Å; Y178-L249 VanDerWaalsContact CE2-CD1 3.48Å; Y178-L249 VanDerWaalsContact CZ-CD1 3.41Å; I188-L249 HydrophobicContact CD1-CD1 4.36Å; I188-L249 HydrophobicContact CD1-CD2 4.32Å; F205-L249 HydrophobicContact CB-CD2 3.68Å; F205-L249 HydrophobicContact CB-CG 4.34Å; F205-L249 HydrophobicContact CG-CD2 4.33Å; S245-L249 WeakPolarHBondContact O-CB 3.44Å; S245-L249 PolarHBondContact O-N 3.2Å; R246-L249 WeakPolarHBondContact O-CB 3.47Å; R246-L249 PolarHBondContact O-N 2.76Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.47Å; L249-E251 PolarHBondContact O-N 3.11Å; L249-T252 PolarHBondContact O-N 3.07Å; L249-L253 HydrophobicContact CD1-CD1 3.83Å; L249-L253 HydrophobicContact CD1-CD2 4.47Å; L249-L253 HydrophobicContact CD1-CG 4.02Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.4Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3Å
250F98Very high94.5Very high0 Ų038.2 Ų38.20%022%0.218CC..Hα-helixtrans-57.1-49176.9-171.3-96.4000110.5L22 A25 F26 I29 F205 E206 R246 L247 T252 L253 I254L22-F250 HydrophobicContact CD1-CE2 4.02Å; L22-F250 HydrophobicContact CD1-CZ 4.37Å; A25-F250 VanDerWaalsContact C-CE1 3.44Å; A25-F250 HydrophobicContact CB-CD1 4.07Å; A25-F250 HydrophobicContact CB-CD2 3.97Å; A25-F250 HydrophobicContact CB-CE1 3.71Å; A25-F250 HydrophobicContact CB-CE2 3.6Å; A25-F250 HydrophobicContact CB-CG 4.29Å; A25-F250 HydrophobicContact CB-CZ 3.49Å; A25-F250 VanDerWaalsContact CB-CZ 3.49Å; A25-F250 VanDerWaalsContact O-CE1 3.32Å; A25-F250 WeakPolarHBondContact O-CE1 3.25Å; F26-F250 HydrophobicContact CD1-CE1 4.24Å; F26-F250 HydrophobicContact CD1-CZ 4.03Å; F26-F250 HydrophobicContact CD2-CZ 4.08Å; F26-F250 HydrophobicContact CE1-CZ 4.09Å; F26-F250 HydrophobicContact CE2-CZ 4.14Å; F26-F250 HydrophobicContact CG-CE1 4.43Å; F26-F250 HydrophobicContact CG-CZ 4.02Å; F26-F250 HydrophobicContact CZ-CZ 4.14Å; I29-F250 HydrophobicContact CD1-CD1 3.19Å; I29-F250 HydrophobicContact CD1-CE1 3.32Å; I29-F250 HydrophobicContact CD1-CG 4.36Å; I29-F250 HydrophobicContact CG1-CD1 3.64Å; I29-F250 HydrophobicContact CG1-CE1 3.81Å; F205-F250 HydrophobicContact CD2-CB 3.92Å; F205-F250 AromaticContact CD2-CD2 3.36Å; F205-F250 HydrophobicContact CD2-CD2 3.36Å; F205-F250 HydrophobicContact CD2-CE2 4.29Å; F205-F250 HydrophobicContact CD2-CG 4.07Å; F205-F250 HydrophobicContact CE2-CB 4.39Å; F205-F250 AromaticContact CE2-CD2 3.33Å; F205-F250 HydrophobicContact CE2-CD2 3.33Å; F205-F250 AromaticContact CE2-CE2 3.89Å; F205-F250 HydrophobicContact CE2-CE2 3.89Å; F205-F250 HydrophobicContact CE2-CG 4.18Å; E206-F250 HydrophobicContact CB-CD2 4.44Å; E206-F250 HydrophobicContact CB-CE2 4.19Å; R246-F250 PolarHBondContact O-N 2.7Å; L247-F250 PolarHBondContact O-N 2.82Å; F250-T252 PolarHBondContact O-N 3.35Å; F250-L253 PolarHBondContact O-N 3.13Å; F250-I254 HydrophobicContact CD1-CG1 4.24Å; F250-I254 HydrophobicContact CE1-CG1 3.88Å; F250-I254 HydrophobicContact CE2-CD1 4.48Å; F250-I254 HydrophobicContact CE2-CG1 4.33Å; F250-I254 HydrophobicContact CZ-CD1 4.24Å; F250-I254 HydrophobicContact CZ-CG1 3.9Å; F250-I254 WeakPolarHBondContact O-CB 3.15Å; F250-I254 VanDerWaalsContact O-CG1 3.27Å; F250-I254 WeakPolarHBondContact O-CG1 3.5Å; F250-I254 PolarHBondContact O-N 3.04Å
251E95.9Very high93.1Very high78 Ų7843 Ų4336%0.36425%0.245SC..Hα-helixtrans-57-47.1176.1-170.9-166.8178.200112.9I29 L247 K248 L249 T255I29-E251 HydrophobicContact CD1-CB 4.29Å; L247-E251 PolarHBondContact O-N 2.69Å; K248-E251 WeakPolarHBondContact CD-OE2 3.46Å; K248-E251 IonicContact NZ-OE1 2.7Å; K248-E251 IonicContact NZ-OE2 2.76Å; K248-E251 PolarHBondContact NZ-OE2 3.09Å; K248-E251 PolarHBondContact O-N 3.18Å; L249-E251 PolarHBondContact O-N 3.11Å; E251-T255 VanDerWaalsContact O-CB 3.23Å; E251-T255 WeakPolarHBondContact O-CB 3.2Å; E251-T255 PolarHBondContact O-N 2.9Å; E251-T255 PolarHBondContact O-OG1 3.04Å
252T95.6Very high91.3Very high21 Ų2138.9 Ų38.913%0.12922%0.219CC..Hα-helixtrans-62.4-50.2179.4-70.40000111.3L151 I152 K248 L249 F250 I254 T255 L256L151-T252 HydrophobicContact CD2-CG2 4.43Å; I152-T252 WeakPolarHBondContact O-CB 3.44Å; I152-T252 WeakPolarHBondContact O-CG2 3.44Å; I152-T252 PolarHBondContact O-OG1 2.86Å; K248-T252 WeakPolarHBondContact O-CB 3.32Å; K248-T252 PolarHBondContact O-N 2.93Å; K248-T252 PolarHBondContact O-OG1 3.47Å; K248-T252 VanDerWaalsContact O-OG1 3.1Å; L249-T252 PolarHBondContact O-N 3.07Å; F250-T252 PolarHBondContact O-N 3.35Å; T252-I254 PolarHBondContact O-N 3.13Å; T252-T255 PolarHBondContact O-N 3.17Å; T252-L256 HydrophobicContact CG2-CD1 3.96Å; T252-L256 HydrophobicContact CG2-CG 4.32Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 WeakPolarHBondContact O-CG 3.27Å; T252-L256 PolarHBondContact O-N 3.18Å
253L96.7Very high89.2Confident1 Ų141 Ų411%0.00523%0.23CC..Hα-helixtrans-62.6-43.7-178.7-64.8174.9000111.6L177 Y178 I188 I199 F205 L249 F250 L256 L257L177-L253 HydrophobicContact CD1-CD2 3.97Å; Y178-L253 HydrophobicContact CE2-CD2 4.32Å; I188-L253 HydrophobicContact CD1-CD1 3.84Å; I188-L253 HydrophobicContact CG2-CD1 4.29Å; I188-L253 HydrophobicContact CG2-CD2 4.14Å; I199-L253 HydrophobicContact CD1-CB 3.88Å; I199-L253 HydrophobicContact CD1-CD2 4.03Å; I199-L253 WeakPolarHBondContact CD1-O 3.46Å; I199-L253 HydrophobicContact CG2-CD2 4.42Å; F205-L253 HydrophobicContact CD1-CD1 4.07Å; F205-L253 HydrophobicContact CD2-CD1 3.92Å; F205-L253 HydrophobicContact CE1-CD1 3.84Å; F205-L253 HydrophobicContact CE2-CB 4.4Å; F205-L253 HydrophobicContact CE2-CD1 3.7Å; F205-L253 HydrophobicContact CG-CD1 4.13Å; F205-L253 HydrophobicContact CZ-CD1 3.66Å; L249-L253 HydrophobicContact CD1-CD1 3.83Å; L249-L253 HydrophobicContact CD1-CD2 4.47Å; L249-L253 HydrophobicContact CD1-CG 4.02Å; L249-L253 HydrophobicContact CG-CD1 3.91Å; L249-L253 HydrophobicContact CG-CG 4.4Å; L249-L253 VanDerWaalsContact O-CG 3.3Å; L249-L253 WeakPolarHBondContact O-CG 3.36Å; L249-L253 PolarHBondContact O-N 3Å; F250-L253 PolarHBondContact O-N 3.13Å; L253-L256 PolarHBondContact O-N 3.16Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 PolarHBondContact O-N 3.38Å
254I95.5Very high86.9Confident2 Ų243.6 Ų43.61%0.0125%0.25CS..Hα-helixtrans-65.7-41177.4-64.2-50.9000111.6F26 I29 Y33 L52 L87 F250 T252 L257 L258F26-I254 HydrophobicContact CE1-CD1 3.61Å; F26-I254 HydrophobicContact CE1-CG1 3.91Å; F26-I254 HydrophobicContact CE1-CG2 4.03Å; F26-I254 HydrophobicContact CZ-CD1 3.63Å; F26-I254 HydrophobicContact CZ-CG1 4.37Å; I29-I254 HydrophobicContact CD1-CB 4.13Å; I29-I254 HydrophobicContact CD1-CG1 4.16Å; I29-I254 HydrophobicContact CD1-CG2 4.38Å; Y33-I254 HydrophobicContact CE2-CG2 4.25Å; L52-I254 HydrophobicContact CD2-CD1 4.26Å; L87-I254 HydrophobicContact CD2-CD1 3.87Å; F250-I254 HydrophobicContact CD1-CG1 4.24Å; F250-I254 HydrophobicContact CE1-CG1 3.88Å; F250-I254 HydrophobicContact CE2-CD1 4.48Å; F250-I254 HydrophobicContact CE2-CG1 4.33Å; F250-I254 HydrophobicContact CZ-CD1 4.24Å; F250-I254 HydrophobicContact CZ-CG1 3.9Å; F250-I254 WeakPolarHBondContact O-CB 3.15Å; F250-I254 VanDerWaalsContact O-CG1 3.27Å; F250-I254 WeakPolarHBondContact O-CG1 3.5Å; F250-I254 PolarHBondContact O-N 3.04Å; T252-I254 PolarHBondContact O-N 3.13Å; I254-L257 PolarHBondContact O-N 2.86Å; I254-L258 HydrophobicContact CG2-CD1 3.65Å; I254-L258 HydrophobicContact CG2-CG 4.34Å; I254-L258 WeakPolarHBondContact O-CB 3.49Å; I254-L258 PolarHBondContact O-N 3.31Å
255T93.2Very high84.7Confident74 Ų7441.2 Ų41.245%0.45423%0.231SC..Hα-helixtrans-63.4-42.1175.6-59.70000111.4E251 T252 L257 N259E251-T255 VanDerWaalsContact O-CB 3.23Å; E251-T255 WeakPolarHBondContact O-CB 3.2Å; E251-T255 PolarHBondContact O-N 2.9Å; E251-T255 PolarHBondContact O-OG1 3.04Å; T252-T255 PolarHBondContact O-N 3.17Å; T255-L257 VanDerWaalsContact C-N 3.33Å; T255-L257 PolarHBondContact O-N 3.36Å; T255-N259 WeakPolarHBondContact O-CB 3.41Å; T255-N259 PolarHBondContact O-N 2.99Å; T255-N259 VanDerWaalsContact O-N 3.1Å
256L93Very high82.7Confident19 Ų1940.6 Ų40.610%0.09923%0.226CC..Hα-helixtrans-60.5-44.3176.1-72.1176.7000111.7L151 I199 T252 L253 N262 V265L151-L256 HydrophobicContact CD2-CD1 3.59Å; I199-L256 HydrophobicContact CD1-CB 4.48Å; T252-L256 HydrophobicContact CG2-CD1 3.96Å; T252-L256 HydrophobicContact CG2-CG 4.32Å; T252-L256 WeakPolarHBondContact O-CB 3.34Å; T252-L256 WeakPolarHBondContact O-CG 3.27Å; T252-L256 PolarHBondContact O-N 3.18Å; L253-L256 PolarHBondContact O-N 3.16Å; L256-N262 WeakPolarHBondContact CD2-ND2 3.24Å; L256-V265 HydrophobicContact CD1-CG1 4.28Å; L256-V265 HydrophobicContact CD2-CB 3.79Å; L256-V265 HydrophobicContact CD2-CG1 3.37Å; L256-V265 HydrophobicContact CD2-CG2 4.15Å; L256-V265 HydrophobicContact CG-CG1 4.44Å
257L93.1Very high80.5Confident1 Ų145 Ų451%0.00525%0.248CC..Hα-helixtrans-72-39.1-175.9-17356.6000113.1L52 R85 Y86 L87 I199 L253 I254 T255L52-L257 HydrophobicContact CD1-CD2 3.37Å; L52-L257 HydrophobicContact CD1-CG 4.03Å; L52-L257 HydrophobicContact CD2-CD2 4.12Å; L52-L257 HydrophobicContact CG-CD2 4.41Å; R85-L257 HydrophobicContact CB-CD1 3.99Å; R85-L257 HydrophobicContact CB-CG 4.08Å; R85-L257 VanDerWaalsContact CD-O 3.23Å; R85-L257 WeakPolarHBondContact CD-O 3.26Å; R85-L257 HydrophobicContact CG-CD1 4.49Å; R85-L257 WeakPolarHBondContact CG-O 3.3Å; R85-L257 PolarHBondContact NE-O 2.82Å; Y86-L257 WeakPolarHBondContact O-CD2 3.45Å; L87-L257 HydrophobicContact CB-CD2 3.96Å; I199-L257 HydrophobicContact CB-CD2 4.49Å; I199-L257 HydrophobicContact CD1-CB 3.95Å; I199-L257 HydrophobicContact CG1-CB 4.47Å; I199-L257 HydrophobicContact CG1-CD1 4.33Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 PolarHBondContact O-N 3.38Å; I254-L257 PolarHBondContact O-N 2.86Å; T255-L257 VanDerWaalsContact C-N 3.33Å; T255-L257 PolarHBondContact O-N 3.36Å
258L92.4Very high78Confident20 Ų2056.9 Ų56.911%0.10530%0.299CS..Hα-helixtrans-88.1-9.2-177.4-70.6176.7000114.3K4 I6 Y33 D51 L52 I254 P260K4-L258 HydrophobicContact CG-CD1 4.39Å; I6-L258 HydrophobicContact CD1-CD1 4.23Å; Y33-L258 HydrophobicContact CE2-CD1 4.03Å; D51-L258 HydrophobicContact CB-CD2 4.17Å; L52-L258 HydrophobicContact CB-CD2 3.85Å; I254-L258 HydrophobicContact CG2-CD1 3.65Å; I254-L258 HydrophobicContact CG2-CG 4.34Å; I254-L258 WeakPolarHBondContact O-CB 3.49Å; I254-L258 PolarHBondContact O-N 3.31Å; L258-P260 WeakPolarHBondContact O-CD 3.37Å
259N85Confident77Confident50 Ų5055.9 Ų55.927%0.26730%0.297SS..  trans-78.7117.8177.6-175.9-4.6000110.8T255 D261 N262T255-N259 WeakPolarHBondContact O-CB 3.41Å; T255-N259 PolarHBondContact O-N 2.99Å; T255-N259 VanDerWaalsContact O-N 3.1Å; N259-D261 VanDerWaalsContact C-N 3.26Å; N259-D261 PolarHBondContact O-N 3.47Å; N259-D261 PolarHBondContact OD1-N 3.01Å; N259-N262 HydrophobicContact CB-CB 3.94Å; N259-N262 WeakPolarHBondContact CB-ND2 3.23Å; N259-N262 PolarHBondContact ND2-ND2 3.02Å; N259-N262 VanDerWaalsContact ND2-ND2 3.19Å; N259-N262 PolarHBondContact ND2-OD1 3.14Å; N259-N262 PolarHBondContact O-N 3.45Å
260P68Low75.9Confident89 Ų8958.8 Ų58.858%0.57831%0.313SS*.THydrogen-bonded Turntrans-64.5-28.9179.326.8-34.9000113.3L258L258-P260 WeakPolarHBondContact O-CD 3.37Å
261D68.7Low74.6Confident132 Ų13262.1 Ų62.171%0.70633%0.33SS*.THydrogen-bonded Turntrans-87.1-10.3-175-61.8-35.9000113.1N259 N263N259-D261 VanDerWaalsContact C-N 3.26Å; N259-D261 PolarHBondContact O-N 3.47Å; N259-D261 PolarHBondContact OD1-N 3.01Å; D261-N263 PolarHBondContact O-N 3.11Å
262N60.4Low73.4Confident27 Ų2761.1 Ų61.114%0.14433%0.328CS..THydrogen-bonded Turntrans-76.426.9-177.3-89-11.9000114.2L256 N259 S264 V265 L266L256-N262 WeakPolarHBondContact CD2-ND2 3.24Å; N259-N262 HydrophobicContact CB-CB 3.94Å; N259-N262 WeakPolarHBondContact CB-ND2 3.23Å; N259-N262 PolarHBondContact ND2-ND2 3.02Å; N259-N262 VanDerWaalsContact ND2-ND2 3.19Å; N259-N262 PolarHBondContact ND2-OD1 3.14Å; N259-N262 PolarHBondContact O-N 3.45Å; N262-S264 PolarHBondContact O-N 3.43Å; N262-S264 VanDerWaalsContact O-N 3.08Å; N262-V265 HydrophobicContact CB-CB 4.4Å; N262-V265 HydrophobicContact CB-CG2 4.43Å; N262-V265 PolarHBondContact O-N 3.3Å; N262-V265 VanDerWaalsContact O-N 3.09Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.45Å; N262-L266 PolarHBondContact O-N 3.14Å
263N53.9Low72Confident88 Ų8863.6 Ų63.647%0.47134%0.34SS..THydrogen-bonded Turntrans-52.3-29.9166.3-95.2-32.4000111.7K192 D261 M267K192-N263 PolarHBondContact NZ-O 3.24Å; K192-N263 PolarHBondContact NZ-OD1 3.23Å; D261-N263 PolarHBondContact O-N 3.11Å; N263-M267 WeakPolarHBondContact O-CB 2.91Å; N263-M267 WeakPolarHBondContact O-CG 3.42Å; N263-M267 PolarHBondContact O-N 3.04Å
264S49.7Very low70.3Confident78 Ų7867.8 Ų67.855%0.54536%0.363SS..THydrogen-bonded Turntrans-78.3-33.6175.960.60000114.9N262 L266 M267N262-S264 PolarHBondContact O-N 3.43Å; N262-S264 VanDerWaalsContact O-N 3.08Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 2.83Å; S264-M267 CarbonylContact O-C 3.48Å; S264-M267 PolarHBondContact O-N 3.02Å
265V50.7Low68.5Low49 Ų4972.5 Ų72.530%0.29739%0.388SS..THydrogen-bonded Turntrans-78.5-21.8-178.8-171.30000111.6Q175 L256 N262 M267Q175-V265 PolarHBondContact NE2-O 3.41Å; Q175-V265 PolarHBondContact OE1-O 2.93Å; L256-V265 HydrophobicContact CD1-CG1 4.28Å; L256-V265 HydrophobicContact CD2-CB 3.79Å; L256-V265 HydrophobicContact CD2-CG1 3.37Å; L256-V265 HydrophobicContact CD2-CG2 4.15Å; L256-V265 HydrophobicContact CG-CG1 4.44Å; N262-V265 HydrophobicContact CB-CB 4.4Å; N262-V265 HydrophobicContact CB-CG2 4.43Å; N262-V265 PolarHBondContact O-N 3.3Å; N262-V265 VanDerWaalsContact O-N 3.09Å; N262-V265 WeakPolarHBondContact OD1-CG2 3.45Å; V265-M267 VanDerWaalsContact C-N 3.32Å
266L56.2Low66.7Low14 Ų1472.4 Ų72.47%0.07338%0.383CS..THydrogen-bonded Turntrans-90.911164.1-66.9176.1000112.9Q175 N262 S264Q175-L266 PolarHBondContact OE1-O 2.86Å; N262-L266 PolarHBondContact O-N 3.14Å; S264-L266 VanDerWaalsContact C-N 3.31Å; S264-L266 PolarHBondContact O-N 2.83Å
267M50.6Low64.5Low105 Ų10576.8 Ų76.852%0.51741%0.407SS..  trans-138.6107.5176.9-74.8176.3156.900111.9K192 N263 S264 V265K192-M267 HydrophobicContact CD-CE 3.93Å; K192-M267 HydrophobicContact CD-CG 4.47Å; K192-M267 VanDerWaalsContact NZ-CE 3.27Å; K192-M267 VanDerWaalsContact NZ-CG 3.29Å; K192-M267 PolarHBondContact NZ-SD 3.05Å; N263-M267 WeakPolarHBondContact O-CB 2.91Å; N263-M267 WeakPolarHBondContact O-CG 3.42Å; N263-M267 PolarHBondContact O-N 3.04Å; S264-M267 CarbonylContact O-C 3.48Å; S264-M267 PolarHBondContact O-N 3.02Å; V265-M267 VanDerWaalsContact C-N 3.32Å
268K44.8Very low61.8Low269 Ų26983.7 Ų83.7100%1.1744%0.443SS*.  trans860170.1-56-177.5178.1-178.90115.3

Retrieved 268 of 268 residues in 92.1 ms (Link to these results)

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