A0A077YWQ1_TRITR Loading...

GCS light chain

AlphaFold DB , UniProt , Accession A0A077YWQ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 277 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
1M53Low82Confident236 Ų23680 Ų80100%1.16338%0.381SS*.  0124.80-147.4-176-34.300105.6I3M1-I3 PolarHBondContact O-N 2.78Å
2E68.3Low82.7Confident191 Ų19185.8 Ų85.889%0.89341%0.408SS*.PPolyproline II helixtrans-65.3123.7176.3-164.3170.9-178.900107.5D4E2-D4 PolarHBondContact O-N 3.18Å
3I70.8Confident83.5Confident102 Ų10281.3 Ų81.352%0.52339%0.391SS..PPolyproline II helixtrans-61.1129.1175.9-63.4175.8000106.7M1 T7 R8M1-I3 PolarHBondContact O-N 2.78Å; I3-T7 HydrophobicContact CG2-CG2 3.5Å; I3-T7 VanDerWaalsContact CG2-CG2 3.5Å; I3-R8 HydrophobicContact CG2-CB 4.08Å
4D82.8Confident84.3Confident73 Ų7382.7 Ų82.739%0.3941%0.407SS..PPolyproline II helixtrans-62.6159.4179.276.986.2000110.7E2 F6 T7 R8E2-D4 PolarHBondContact O-N 3.18Å; D4-F6 PolarHBondContact O-N 2.79Å; D4-F6 WeakPolarHBondContact OD1-CA 3.19Å; D4-F6 WeakPolarHBondContact OD1-CB 3.39Å; D4-F6 PolarHBondContact OD1-N 3.47Å; D4-T7 PolarHBondContact O-N 3.12Å; D4-T7 PolarHBondContact OD1-N 3.37Å; D4-T7 VanDerWaalsContact OD2-CB 3.25Å; D4-T7 WeakPolarHBondContact OD2-CB 3.37Å; D4-T7 PolarHBondContact OD2-OG1 3.22Å; D4-R8 PolarHBondContact O-N 2.75Å; D4-R8 VanDerWaalsContact O-N 3.12Å
5Y84.2Confident85.1Confident53 Ų5381.2 Ų81.221%0.20840%0.399CS..Hα-helixtrans-56.7-39.4-174.4171.4-92.7000112.8F9 W52Y5-F9 WeakPolarHBondContact O-CB 3.16Å; Y5-F9 PolarHBondContact O-N 3.37Å; Y5-W52 HydrophobicContact CE1-CZ2 4.4Å; Y5-W52 AromaticContact CE1-NE1 3.59Å
6F88.5Confident85.8Confident2 Ų276.2 Ų76.21%0.00937%0.374CS..Hα-helixtrans-75.6-42.3-174.4-173.7-139.1000111.2D4 R8 F9 L10 L49 W52 L232 F236 I238D4-F6 PolarHBondContact O-N 2.79Å; D4-F6 WeakPolarHBondContact OD1-CA 3.19Å; D4-F6 WeakPolarHBondContact OD1-CB 3.39Å; D4-F6 PolarHBondContact OD1-N 3.47Å; F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 3.11Å; F6-F9 HydrophobicContact CD2-CD1 4.34Å; F6-F9 HydrophobicContact CE2-CD1 4.36Å; F6-F9 WeakPolarHBondContact O-CB 3.4Å; F6-F9 PolarHBondContact O-N 2.86Å; F6-F9 VanDerWaalsContact O-N 3.13Å; F6-L10 HydrophobicContact CD1-CD1 4.34Å; F6-L10 HydrophobicContact CD2-CD1 4.45Å; F6-L10 HydrophobicContact CD2-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 4.02Å; F6-L10 HydrophobicContact CE2-CD1 4.12Å; F6-L10 HydrophobicContact CE2-CD2 3.84Å; F6-L10 HydrophobicContact CE2-CG 3.9Å; F6-L10 HydrophobicContact CZ-CD1 3.9Å; F6-L10 HydrophobicContact CZ-CD2 4.08Å; F6-L10 HydrophobicContact CZ-CG 4.17Å; F6-L10 WeakPolarHBondContact O-CG 3.06Å; F6-L10 PolarHBondContact O-N 2.9Å; F6-L49 HydrophobicContact CE2-CD2 4.38Å; F6-L49 HydrophobicContact CZ-CD1 4.24Å; F6-L49 HydrophobicContact CZ-CD2 4.17Å; F6-W52 HydrophobicContact CD2-CE3 4.17Å; F6-W52 HydrophobicContact CD2-CH2 4.44Å; F6-W52 AromaticContact CD2-CZ3 3.94Å; F6-W52 HydrophobicContact CD2-CZ3 3.94Å; F6-W52 AromaticContact CE2-CE3 4Å; F6-W52 HydrophobicContact CE2-CE3 4Å; F6-W52 HydrophobicContact CE2-CH2 4.26Å; F6-W52 AromaticContact CE2-CZ3 3.53Å; F6-W52 HydrophobicContact CE2-CZ3 3.53Å; F6-L232 HydrophobicContact CE1-CD2 3.77Å; F6-L232 HydrophobicContact CZ-CD2 3.82Å; F6-F236 HydrophobicContact CD1-CB 3.9Å; F6-F236 AromaticContact CD1-CD1 4Å; F6-F236 HydrophobicContact CD1-CD1 4Å; F6-F236 AromaticContact CD1-CG 3.93Å; F6-F236 HydrophobicContact CD1-CG 3.93Å; F6-F236 HydrophobicContact CE1-CB 3.98Å; F6-F236 HydrophobicContact CE1-CD1 4.11Å; F6-F236 HydrophobicContact CE1-CD2 4.06Å; F6-F236 AromaticContact CE1-CG 3.76Å; F6-F236 HydrophobicContact CE1-CG 3.76Å; F6-I238 HydrophobicContact CD1-CD1 3.86Å; F6-I238 HydrophobicContact CD1-CG1 4.34Å; F6-I238 HydrophobicContact CE1-CD1 4.37Å; F6-I238 HydrophobicContact CE1-CG1 4.39Å
7T88.3Confident86.4Confident19 Ų1972.7 Ų72.712%0.11736%0.356CS..Hα-helixtrans-56.3-47.9172-62.10000111.4I3 D4 F9 L10 D11 I238I3-T7 HydrophobicContact CG2-CG2 3.5Å; I3-T7 VanDerWaalsContact CG2-CG2 3.5Å; D4-T7 PolarHBondContact O-N 3.12Å; D4-T7 PolarHBondContact OD1-N 3.37Å; D4-T7 VanDerWaalsContact OD2-CB 3.25Å; D4-T7 WeakPolarHBondContact OD2-CB 3.37Å; D4-T7 PolarHBondContact OD2-OG1 3.22Å; T7-F9 VanDerWaalsContact C-N 3.29Å; T7-F9 PolarHBondContact O-N 2.83Å; T7-L10 PolarHBondContact O-N 2.78Å; T7-D11 PolarHBondContact O-N 3.03Å; T7-I238 WeakPolarHBondContact OG1-CD1 3.32Å
8R89.5Confident86.8Confident121 Ų12168.7 Ų68.746%0.45734%0.336SS..Hα-helixtrans-61.9-37.3177.7-178.7-179.557.8165.1-3112.5I3 D4 F6 D11 Q12I3-R8 HydrophobicContact CG2-CB 4.08Å; D4-R8 PolarHBondContact O-N 2.75Å; D4-R8 VanDerWaalsContact O-N 3.12Å; F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 3.11Å; R8-D11 PolarHBondContact O-N 2.94Å; R8-Q12 WeakPolarHBondContact O-CG 3.33Å; R8-Q12 PolarHBondContact O-N 2.9Å
9F91.5Very high87.2Confident12 Ų1265.2 Ų65.25%0.05332%0.319CS..Hα-helixtrans-61.5-50.6174.2171.6-86000110.7Y5 F6 T7 D11 Q12 S13 F16 W52 A66Y5-F9 WeakPolarHBondContact O-CB 3.16Å; Y5-F9 PolarHBondContact O-N 3.37Å; F6-F9 HydrophobicContact CD2-CD1 4.34Å; F6-F9 HydrophobicContact CE2-CD1 4.36Å; F6-F9 WeakPolarHBondContact O-CB 3.4Å; F6-F9 PolarHBondContact O-N 2.86Å; F6-F9 VanDerWaalsContact O-N 3.13Å; T7-F9 VanDerWaalsContact C-N 3.29Å; T7-F9 PolarHBondContact O-N 2.83Å; F9-D11 PolarHBondContact O-N 3.43Å; F9-Q12 PolarHBondContact O-N 2.71Å; F9-Q12 VanDerWaalsContact O-N 3.07Å; F9-S13 WeakPolarHBondContact CE2-OG 2.78Å; F9-S13 VanDerWaalsContact CZ-OG 3.22Å; F9-S13 WeakPolarHBondContact CZ-OG 3.17Å; F9-S13 WeakPolarHBondContact O-CB 3.09Å; F9-S13 PolarHBondContact O-N 3.02Å; F9-S13 PolarHBondContact O-OG 2.86Å; F9-F16 HydrophobicContact CE1-CB 3.93Å; F9-F16 AromaticContact CE1-CD1 3.96Å; F9-F16 HydrophobicContact CE1-CD1 3.96Å; F9-F16 HydrophobicContact CE1-CG 4.08Å; F9-F16 HydrophobicContact CZ-CB 3.87Å; F9-W52 AromaticContact CD1-CH2 3.49Å; F9-W52 HydrophobicContact CD1-CH2 3.49Å; F9-W52 VanDerWaalsContact CD1-CH2 3.49Å; F9-W52 HydrophobicContact CD1-CZ2 4.08Å; F9-W52 HydrophobicContact CD1-CZ3 4.3Å; F9-W52 AromaticContact CD2-CH2 3.99Å; F9-W52 HydrophobicContact CD2-CH2 3.99Å; F9-W52 AromaticContact CD2-CZ2 3.78Å; F9-W52 HydrophobicContact CD2-CZ2 3.78Å; F9-W52 AromaticContact CE1-CH2 3.38Å; F9-W52 HydrophobicContact CE1-CH2 3.38Å; F9-W52 HydrophobicContact CE1-CZ2 4.17Å; F9-W52 HydrophobicContact CE1-CZ3 4.26Å; F9-W52 AromaticContact CE2-CH2 3.84Å; F9-W52 HydrophobicContact CE2-CH2 3.84Å; F9-W52 AromaticContact CE2-CZ2 3.82Å; F9-W52 HydrophobicContact CE2-CZ2 3.82Å; F9-W52 AromaticContact CG-CH2 3.84Å; F9-W52 HydrophobicContact CG-CH2 3.84Å; F9-W52 AromaticContact CG-CZ2 3.92Å; F9-W52 HydrophobicContact CG-CZ2 3.92Å; F9-W52 AromaticContact CZ-CH2 3.57Å; F9-W52 HydrophobicContact CZ-CH2 3.57Å; F9-W52 HydrophobicContact CZ-CZ2 4.05Å; F9-A66 HydrophobicContact CE2-CB 3.65Å; F9-A66 HydrophobicContact CZ-CB 3.51Å
10L93.3Very high87.4Confident0 Ų062.1 Ų62.10%030%0.304CS..Hα-helixtrans-62.8-29.2-179.9-65.5176000112.9F6 T7 F16 L232 I238 V242 W246 K275F6-L10 HydrophobicContact CD1-CD1 4.34Å; F6-L10 HydrophobicContact CD2-CD1 4.45Å; F6-L10 HydrophobicContact CD2-CG 4.19Å; F6-L10 HydrophobicContact CE1-CD1 4.02Å; F6-L10 HydrophobicContact CE2-CD1 4.12Å; F6-L10 HydrophobicContact CE2-CD2 3.84Å; F6-L10 HydrophobicContact CE2-CG 3.9Å; F6-L10 HydrophobicContact CZ-CD1 3.9Å; F6-L10 HydrophobicContact CZ-CD2 4.08Å; F6-L10 HydrophobicContact CZ-CG 4.17Å; F6-L10 WeakPolarHBondContact O-CG 3.06Å; F6-L10 PolarHBondContact O-N 2.9Å; T7-L10 PolarHBondContact O-N 2.78Å; L10-F16 HydrophobicContact CD2-CD1 4.16Å; L10-F16 HydrophobicContact CD2-CE1 3.59Å; L10-F16 HydrophobicContact CD2-CZ 4.27Å; L10-L232 HydrophobicContact CD1-CD1 4.47Å; L10-L232 HydrophobicContact CD1-CD2 4.18Å; L10-I238 HydrophobicContact CD1-CD1 3.9Å; L10-I238 HydrophobicContact CD1-CG1 3.88Å; L10-I238 HydrophobicContact CD1-CG2 4.02Å; L10-V242 HydrophobicContact CB-CG1 4Å; L10-W246 HydrophobicContact CB-CZ2 4.16Å; L10-W246 HydrophobicContact CD2-CD2 4.23Å; L10-W246 HydrophobicContact CD2-CH2 4.25Å; L10-W246 HydrophobicContact CD2-CZ2 3.68Å; L10-W246 WeakPolarHBondContact O-CZ2 3.36Å; L10-K275 PolarHBondContact O-NZ 2.88Å
11D91.3Very high87.4Confident71 Ų7159.2 Ų59.238%0.3829%0.29SS..Hα-helixtrans-68.6-40.2173.5-81.6-31.7000112.6T7 R8 F9 K275T7-D11 PolarHBondContact O-N 3.03Å; R8-D11 PolarHBondContact O-N 2.94Å; F9-D11 PolarHBondContact O-N 3.43Å; D11-K275 PolarHBondContact O-NZ 3.01Å
12Q91.2Very high89.1Confident150 Ų15048.8 Ų48.870%0.70124%0.239SC*.Hα-helixtrans-92.2-16.3-172-65.6177.6-2.200114.2R8 F9R8-Q12 WeakPolarHBondContact O-CG 3.33Å; R8-Q12 PolarHBondContact O-N 2.9Å; F9-Q12 PolarHBondContact O-N 2.71Å; F9-Q12 VanDerWaalsContact O-N 3.07Å
13S93Very high90Very high27 Ų2740.4 Ų40.419%0.18920%0.2CC..  trans-103.1151.3-177.8-62.80000112.4F9 W246 K275F9-S13 WeakPolarHBondContact CE2-OG 2.78Å; F9-S13 VanDerWaalsContact CZ-OG 3.22Å; F9-S13 WeakPolarHBondContact CZ-OG 3.17Å; F9-S13 WeakPolarHBondContact O-CB 3.09Å; F9-S13 PolarHBondContact O-N 3.02Å; F9-S13 PolarHBondContact O-OG 2.86Å; S13-W246 WeakPolarHBondContact O-CZ2 3.49Å; S13-K275 WeakPolarHBondContact O-CD 3.21Å
14T94.8Very high90.7Very high101 Ų10137.4 Ų37.462%0.6219%0.187SC*.SBendtrans-102.7-17.1175.250.70000112.4V274 K275T14-V274 CarbonylContact O-C 3.59Å; T14-V274 WeakPolarHBondContact O-CA 3.35Å; T14-K275 WeakPolarHBondContact O-CB 3.22Å; T14-K275 PolarHBondContact O-N 2.68Å
15E96.1Very high90.4Very high60 Ų6036.1 Ų36.128%0.2818%0.184SC..EExtended strand (participates in β ladder)trans-158.2156.1-178.757.7171.7145.800111.6C65 H272 F273 V274E15-C65 VanDerWaalsContact CD-SG 3.55Å; E15-C65 HydrophobicContact CG-CB 4.23Å; E15-C65 PolarHBondContact OE2-SG 2.9Å; E15-H272 IonicContact OE2-CD2 2.96Å; E15-H272 IonicContact OE2-CE1 3.31Å; E15-H272 PolarHBondContact OE2-CE1 3.24Å; E15-H272 IonicContact OE2-NE2 2.94Å; E15-H272 PolarHBondContact OE2-NE2 3.35Å; E15-F273 CarbonylContact C-O 3.38Å; E15-F273 WeakPolarHBondContact CA-O 3.33Å; E15-F273 WeakPolarHBondContact CB-O 3.17Å; E15-V274 HydrophobicContact CB-CG1 4.13Å
16F95.9Very high89.7Confident1 Ų135.1 Ų35.10%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-157.1160.9165.467.1-83.5000110.7F9 L10 V18 L49 W52 A66 W246 F273F9-F16 HydrophobicContact CE1-CB 3.93Å; F9-F16 AromaticContact CE1-CD1 3.96Å; F9-F16 HydrophobicContact CE1-CD1 3.96Å; F9-F16 HydrophobicContact CE1-CG 4.08Å; F9-F16 HydrophobicContact CZ-CB 3.87Å; L10-F16 HydrophobicContact CD2-CD1 4.16Å; L10-F16 HydrophobicContact CD2-CE1 3.59Å; L10-F16 HydrophobicContact CD2-CZ 4.27Å; F16-V18 HydrophobicContact CD2-CG2 3.94Å; F16-V18 HydrophobicContact CE2-CG2 3.78Å; F16-L49 HydrophobicContact CE2-CD2 4.03Å; F16-W52 HydrophobicContact CD2-CZ3 4.33Å; F16-A66 CarbonylContact C-O 3.38Å; F16-A66 VanDerWaalsContact CA-O 3.28Å; F16-A66 WeakPolarHBondContact CA-O 3.35Å; F16-A66 HydrophobicContact CB-CB 4.13Å; F16-W246 AromaticContact CD1-CE3 3.96Å; F16-W246 HydrophobicContact CD1-CE3 3.96Å; F16-W246 AromaticContact CD1-CH2 3.69Å; F16-W246 HydrophobicContact CD1-CH2 3.69Å; F16-W246 AromaticContact CD1-CZ3 3.34Å; F16-W246 HydrophobicContact CD1-CZ3 3.34Å; F16-W246 HydrophobicContact CE1-CD2 4.13Å; F16-W246 AromaticContact CE1-CE3 3.56Å; F16-W246 HydrophobicContact CE1-CE3 3.56Å; F16-W246 AromaticContact CE1-CH2 3.97Å; F16-W246 HydrophobicContact CE1-CH2 3.97Å; F16-W246 AromaticContact CE1-CZ3 3.46Å; F16-W246 HydrophobicContact CE1-CZ3 3.46Å; F16-W246 VanDerWaalsContact CE1-CZ3 3.46Å; F16-F273 HydrophobicContact CD1-CB 3.93Å; F16-F273 HydrophobicContact CD2-CB 4.41Å; F16-F273 AromaticContact CD2-CD2 3.84Å; F16-F273 HydrophobicContact CD2-CD2 3.84Å; F16-F273 HydrophobicContact CE1-CB 3.53Å; F16-F273 HydrophobicContact CE1-CD2 4.27Å; F16-F273 HydrophobicContact CE1-CG 4.05Å; F16-F273 HydrophobicContact CE2-CB 4.06Å; F16-F273 AromaticContact CE2-CD2 3.22Å; F16-F273 HydrophobicContact CE2-CD2 3.22Å; F16-F273 AromaticContact CE2-CE2 3.83Å; F16-F273 HydrophobicContact CE2-CE2 3.83Å; F16-F273 AromaticContact CE2-CG 3.84Å; F16-F273 HydrophobicContact CE2-CG 3.84Å; F16-F273 HydrophobicContact CG-CB 4.35Å; F16-F273 HydrophobicContact CZ-CB 3.6Å; F16-F273 HydrophobicContact CZ-CD1 4.4Å; F16-F273 AromaticContact CZ-CD2 3.47Å; F16-F273 HydrophobicContact CZ-CD2 3.47Å; F16-F273 VanDerWaalsContact CZ-CD2 3.47Å; F16-F273 HydrophobicContact CZ-CE2 4.21Å; F16-F273 AromaticContact CZ-CG 3.57Å; F16-F273 HydrophobicContact CZ-CG 3.57Å; F16-F273 PolarHBondContact N-O 3.12Å; F16-F273 PolarHBondContact O-N 3.32Å
17R95.5Very high88.6Confident17 Ų1740.2 Ų40.26%0.06422%0.217CC..EExtended strand (participates in β ladder)trans-122145.3179.5-64179.7-173.7119.61.7110.9Y19 A66 A67 V68 E105 V271 H272R17-Y19 HydrophobicContact CB-CD2 4.33Å; R17-Y19 HydrophobicContact CB-CE2 3.5Å; R17-Y19 VanDerWaalsContact CB-CE2 3.5Å; R17-Y19 WeakPolarHBondContact CD-OH 3.29Å; R17-A66 PolarHBondContact N-O 2.88Å; R17-A67 HydrophobicContact CB-CB 4.48Å; R17-A67 WeakPolarHBondContact O-CA 3.21Å; R17-V68 PolarHBondContact O-N 3.33Å; R17-E105 IonicContact CZ-OE2 2.72Å; R17-E105 IonicContact NE-OE2 3.94Å; R17-E105 IonicContact NH2-OE1 2.75Å; R17-E105 PolarHBondContact NH2-OE1 3.44Å; R17-E105 VanDerWaalsContact NH2-OE1 3.13Å; R17-E105 IonicContact NH2-OE2 2.68Å; R17-E105 PolarHBondContact NH2-OE2 3.05Å; R17-V271 CarbonylContact C-O 3.55Å; R17-V271 VanDerWaalsContact CA-O 3.32Å; R17-V271 WeakPolarHBondContact CA-O 3.45Å; R17-H272 HydrophobicContact CG-CB 4.11Å
18V94.9Very high87.7Confident0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-123127.7176-177.20000109.4F16 V45 Q48 L49 F270 V271 F273F16-V18 HydrophobicContact CD2-CG2 3.94Å; F16-V18 HydrophobicContact CE2-CG2 3.78Å; V18-V45 HydrophobicContact CB-CG1 4.46Å; V18-V45 HydrophobicContact CG1-CB 4.47Å; V18-V45 HydrophobicContact CG1-CG1 4.2Å; V18-V45 HydrophobicContact CG1-CG2 4.33Å; V18-V45 HydrophobicContact CG2-CG1 4.36Å; V18-Q48 HydrophobicContact CG1-CB 3.71Å; V18-Q48 HydrophobicContact CG1-CG 4.17Å; V18-L49 HydrophobicContact CG2-CD2 3.75Å; V18-L49 HydrophobicContact CG2-CG 4.21Å; V18-F270 WeakPolarHBondContact O-CA 3.45Å; V18-V271 PolarHBondContact N-O 2.91Å; V18-V271 PolarHBondContact O-N 3.19Å; V18-F273 HydrophobicContact CB-CE2 4.32Å; V18-F273 HydrophobicContact CG2-CD2 4.21Å; V18-F273 HydrophobicContact CG2-CE2 3.8Å
19Y93.1Very high87.2Confident3 Ų337.2 Ų37.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-118114.8179.6-54.6-119.2000108.4R17 G21 E62 A67 V68 K69 N70 A109 F270R17-Y19 HydrophobicContact CB-CD2 4.33Å; R17-Y19 HydrophobicContact CB-CE2 3.5Å; R17-Y19 VanDerWaalsContact CB-CE2 3.5Å; R17-Y19 WeakPolarHBondContact CD-OH 3.29Å; Y19-G21 PolarHBondContact O-N 2.92Å; Y19-E62 PolarHBondContact OH-OE2 2.97Å; Y19-A67 HydrophobicContact CD2-CB 4.27Å; Y19-A67 HydrophobicContact CE2-CB 3.58Å; Y19-V68 PolarHBondContact N-O 2.84Å; Y19-K69 HydrophobicContact CD1-CD 4.43Å; Y19-K69 HydrophobicContact CD2-CD 4.31Å; Y19-K69 HydrophobicContact CD2-CG 3.7Å; Y19-K69 HydrophobicContact CE2-CG 4.34Å; Y19-K69 HydrophobicContact CG-CD 4.24Å; Y19-K69 HydrophobicContact CG-CG 3.86Å; Y19-N70 PolarHBondContact O-N 2.6Å; Y19-A109 HydrophobicContact CE1-CB 4.04Å; Y19-F270 AromaticContact CD1-CD1 3.28Å; Y19-F270 HydrophobicContact CD1-CD1 3.28Å; Y19-F270 HydrophobicContact CD1-CD2 4.31Å; Y19-F270 AromaticContact CD1-CE1 3.2Å; Y19-F270 HydrophobicContact CD1-CE1 3.2Å; Y19-F270 HydrophobicContact CD1-CE2 4.19Å; Y19-F270 AromaticContact CD1-CG 3.91Å; Y19-F270 HydrophobicContact CD1-CG 3.91Å; Y19-F270 AromaticContact CD1-CZ 3.69Å; Y19-F270 HydrophobicContact CD1-CZ 3.69Å; Y19-F270 HydrophobicContact CE1-CD1 4.02Å; Y19-F270 HydrophobicContact CE1-CD2 4.3Å; Y19-F270 HydrophobicContact CE1-CE1 4.08Å; Y19-F270 HydrophobicContact CE1-CE2 4.28Å; Y19-F270 HydrophobicContact CE1-CG 4.19Å; Y19-F270 HydrophobicContact CE1-CZ 4.2Å; Y19-F270 AromaticContact CG-CD1 3.71Å; Y19-F270 HydrophobicContact CG-CD1 3.71Å; Y19-F270 AromaticContact CG-CE1 3.88Å; Y19-F270 HydrophobicContact CG-CE1 3.88Å
20T91.1Very high86.5Confident3 Ų342.4 Ų42.42%0.01823%0.231CC..  trans-74.5-19.6-17665.90000112.8C44 Q48 N70 Y269T20-C44 HydrophobicContact CG2-CB 3.51Å; T20-Q48 PolarHBondContact O-NE2 3Å; T20-N70 WeakPolarHBondContact O-CB 3.29Å; T20-N70 PolarHBondContact O-ND2 3.23Å; T20-N70 VanDerWaalsContact O-ND2 3.13Å; T20-Y269 HydrophobicContact CG2-CD2 4.44Å; T20-Y269 PolarHBondContact N-O 3.05Å; T20-Y269 PolarHBondContact OG1-N 2.86Å; T20-Y269 PolarHBondContact OG1-O 2.58Å
21G87.8Confident85.7Confident2 Ų248.2 Ų48.22%0.02126%0.262CS..  trans63.1-158.5-164.900000110.7Y19 I23 Y254 G268Y19-G21 PolarHBondContact O-N 2.92Å; G21-I23 PolarHBondContact O-N 3.34Å; G21-Y254 WeakPolarHBondContact CA-OH 3.37Å; G21-Y254 PolarHBondContact O-OH 3.23Å; G21-G268 VanDerWaalsContact O-CA 3.28Å; G21-G268 WeakPolarHBondContact O-CA 3.48Å
22D88.6Confident85.4Confident17 Ų1750.9 Ų50.99%0.09127%0.266CS..  trans-73.9111.2177.2178.825.9000112.5T24 S25 P74 L266 Q267D22-T24 VanDerWaalsContact C-N 3.32Å; D22-T24 WeakPolarHBondContact OD1-CB 3.35Å; D22-T24 PolarHBondContact OD1-N 3.18Å; D22-T24 PolarHBondContact OD1-OG1 3.35Å; D22-T24 PolarHBondContact OD2-OG1 2.97Å; D22-S25 PolarHBondContact O-OG 2.78Å; D22-S25 WeakPolarHBondContact OD2-CB 3.24Å; D22-S25 PolarHBondContact OD2-N 2.8Å; D22-S25 VanDerWaalsContact OD2-N 3.13Å; D22-S25 PolarHBondContact OD2-OG 3.38Å; D22-P74 HydrophobicContact CB-CB 4.32Å; D22-L266 HydrophobicContact CB-CD1 3.74Å; D22-L266 HydrophobicContact CB-CG 3.76Å; D22-Q267 CarbonylContact C-O 3.52Å; D22-Q267 WeakPolarHBondContact CA-O 3.35Å; D22-Q267 PolarHBondContact OD1-N 3.09Å
23I88.1Confident85.2Confident14 Ų1453.1 Ų53.17%0.07228%0.277CS..SBendtrans-81.5-10.3178.276.4-174.5000112.7G21 V29 E40 C44 Q267 Y269G21-I23 PolarHBondContact O-N 3.34Å; I23-V29 HydrophobicContact CB-CG1 4.28Å; I23-E40 HydrophobicContact CD1-CG 4.28Å; I23-E40 VanDerWaalsContact CD1-OE1 3.32Å; I23-E40 WeakPolarHBondContact CD1-OE1 3.47Å; I23-C44 HydrophobicContact CG2-CB 4.46Å; I23-Q267 HydrophobicContact CD1-CB 4.33Å; I23-Q267 HydrophobicContact CD1-CG 3.91Å; I23-Q267 HydrophobicContact CG1-CB 4.17Å; I23-Q267 HydrophobicContact CG1-CG 4.3Å; I23-Q267 WeakPolarHBondContact CG1-O 3.44Å; I23-Q267 PolarHBondContact N-O 2.7Å; I23-Y269 HydrophobicContact CD1-CD2 4.08Å; I23-Y269 HydrophobicContact CD1-CE2 3.51Å
24T84.6Confident85.1Confident40 Ų4054 Ų5425%0.24528%0.277CS..SBendtrans-82.3-31.717780.30000111.6D22 G26 R30 I264 A265 Q267D22-T24 VanDerWaalsContact C-N 3.32Å; D22-T24 WeakPolarHBondContact OD1-CB 3.35Å; D22-T24 PolarHBondContact OD1-N 3.18Å; D22-T24 PolarHBondContact OD1-OG1 3.35Å; D22-T24 PolarHBondContact OD2-OG1 2.97Å; T24-G26 VanDerWaalsContact C-N 3.31Å; T24-G26 PolarHBondContact O-N 3.19Å; T24-R30 VanDerWaalsContact O-CD 3.29Å; T24-R30 WeakPolarHBondContact O-CD 3.22Å; T24-R30 PolarHBondContact O-NH1 3Å; T24-I264 HydrophobicContact CG2-CG2 4Å; T24-A265 PolarHBondContact OG1-O 2.95Å; T24-Q267 HydrophobicContact CG2-CB 4.03Å
25S77.1Confident85Confident46 Ų4653.9 Ų53.932%0.32229%0.287SS..SBendtrans-66.9-23.5178.662.50000114.9D22 R30D22-S25 PolarHBondContact O-OG 2.78Å; D22-S25 WeakPolarHBondContact OD2-CB 3.24Å; D22-S25 PolarHBondContact OD2-N 2.8Å; D22-S25 VanDerWaalsContact OD2-N 3.13Å; D22-S25 PolarHBondContact OD2-OG 3.38Å; S25-R30 VanDerWaalsContact C-NH1 3.35Å; S25-R30 PolarHBondContact O-NH1 3.37Å
26G69.1Low84.8Confident31 Ų3153.8 Ų53.832%0.3229%0.288SS..  trans-100.2135.9-172.200000116T24 V28 R30T24-G26 VanDerWaalsContact C-N 3.31Å; T24-G26 PolarHBondContact O-N 3.19Å; G26-V28 PolarHBondContact O-N 3.44Å; G26-R30 WeakPolarHBondContact O-CB 3.49Å; G26-R30 PolarHBondContact O-N 2.95Å
27D65.5Low84.7Confident110 Ų11055.2 Ų55.259%0.58830%0.298SS*.Hα-helixtrans-61.4-27178.1-67.9-5.6000113.9V29 R30D27-V29 PolarHBondContact O-N 3.04Å; D27-R30 IonicContact OD1-CZ 2.86Å; D27-R30 IonicContact OD1-NH1 3.22Å; D27-R30 IonicContact OD1-NH2 3.11Å; D27-R30 PolarHBondContact OD1-NH2 2.95Å
28V70.5Confident84.8Confident63 Ų6354.4 Ų54.438%0.38230%0.295SS..Hα-helixtrans-67.6-38.9-171.1-174.20000111.8G26 R32 L47G26-V28 PolarHBondContact O-N 3.44Å; V28-R32 WeakPolarHBondContact O-CD 3.44Å; V28-R32 WeakPolarHBondContact O-CG 3.4Å; V28-R32 PolarHBondContact O-NE 3.45Å; V28-R32 VanDerWaalsContact O-NE 3.08Å; V28-L47 HydrophobicContact CB-CD1 4.24Å; V28-L47 HydrophobicContact CG1-CD1 3.51Å; V28-L47 HydrophobicContact CG1-CD2 4.04Å; V28-L47 HydrophobicContact CG1-CG 4.44Å
29V78.7Confident84.8Confident14 Ų1456 Ų569%0.08531%0.308CS..Hα-helixtrans-102.3-43.7-177.2-178.50000110.4I23 D27 N31 R32 F34 E40 L47I23-V29 HydrophobicContact CB-CG1 4.28Å; D27-V29 PolarHBondContact O-N 3.04Å; V29-N31 VanDerWaalsContact C-N 3.25Å; V29-N31 PolarHBondContact O-N 2.96Å; V29-N31 VanDerWaalsContact O-N 3.08Å; V29-R32 PolarHBondContact O-N 3.25Å; V29-F34 HydrophobicContact CG1-CE2 3.69Å; V29-F34 HydrophobicContact CG1-CZ 3.93Å; V29-E40 HydrophobicContact CG1-CG 4.1Å; V29-L47 HydrophobicContact CG2-CD1 3.95Å
30R75.4Confident84.9Confident121 Ų12157.7 Ų57.746%0.45732%0.316SS..Hα-helixtrans-53-36.9-174-176.9-179.160.9-115.64.6114.5T24 S25 G26 D27T24-R30 VanDerWaalsContact O-CD 3.29Å; T24-R30 WeakPolarHBondContact O-CD 3.22Å; T24-R30 PolarHBondContact O-NH1 3Å; S25-R30 VanDerWaalsContact C-NH1 3.35Å; S25-R30 PolarHBondContact O-NH1 3.37Å; G26-R30 WeakPolarHBondContact O-CB 3.49Å; G26-R30 PolarHBondContact O-N 2.95Å; D27-R30 IonicContact OD1-CZ 2.86Å; D27-R30 IonicContact OD1-NH1 3.22Å; D27-R30 IonicContact OD1-NH2 3.11Å; D27-R30 PolarHBondContact OD1-NH2 2.95Å
31N77.9Confident85.1Confident121 Ų12157.5 Ų57.565%0.64732%0.315SS*.THydrogen-bonded Turntrans-95.85.3-175.4-63.2-35.1000113.7V29V29-N31 VanDerWaalsContact C-N 3.25Å; V29-N31 PolarHBondContact O-N 2.96Å; V29-N31 VanDerWaalsContact O-N 3.08Å
32R85.5Confident85.5Confident127 Ų12759.1 Ų59.148%0.47932%0.323SS..PPolyproline II helixtrans-100.1144.5-179.4-68.3-171.6-177.5-179.37.1110.8V28 V29 F34 E43V28-R32 WeakPolarHBondContact O-CD 3.44Å; V28-R32 WeakPolarHBondContact O-CG 3.4Å; V28-R32 PolarHBondContact O-NE 3.45Å; V28-R32 VanDerWaalsContact O-NE 3.08Å; V29-R32 PolarHBondContact O-N 3.25Å; R32-F34 HydrophobicContact CB-CE2 3.89Å; R32-F34 HydrophobicContact CB-CZ 3.89Å; R32-E43 IonicContact CZ-OE1 2.78Å; R32-E43 IonicContact NH1-OE1 3.75Å; R32-E43 PolarHBondContact NH1-OE1 3.33Å
33Q86.5Confident85.7Confident197 Ų19760 Ų6092%0.92133%0.326SS*.PPolyproline II helixtrans-96.5122.6169.6-170.6173.31300108.7
34F91.5Very high85.9Confident45 Ų4559.5 Ų59.520%0.19732%0.324CS..PPolyproline II helixtrans-98.5150174.8-61.6-81.4000110.1V29 R32 D36 A39 E40 E43V29-F34 HydrophobicContact CG1-CE2 3.69Å; V29-F34 HydrophobicContact CG1-CZ 3.93Å; R32-F34 HydrophobicContact CB-CE2 3.89Å; R32-F34 HydrophobicContact CB-CZ 3.89Å; F34-D36 VanDerWaalsContact C-N 3.28Å; F34-D36 PolarHBondContact O-N 2.83Å; F34-A39 HydrophobicContact CB-CB 4.27Å; F34-A39 HydrophobicContact CD1-CB 4.35Å; F34-E40 HydrophobicContact CB-CB 4.09Å; F34-E40 HydrophobicContact CD1-CB 4.19Å; F34-E40 HydrophobicContact CD2-CB 3.61Å; F34-E40 HydrophobicContact CD2-CG 3.76Å; F34-E40 HydrophobicContact CE2-CB 4.07Å; F34-E40 HydrophobicContact CE2-CG 3.79Å; F34-E40 HydrophobicContact CG-CB 3.68Å; F34-E40 HydrophobicContact CG-CG 4.33Å; F34-E40 HydrophobicContact CZ-CG 4.37Å; F34-E43 HydrophobicContact CE1-CB 3.69Å; F34-E43 HydrophobicContact CE1-CG 4.01Å; F34-E43 HydrophobicContact CZ-CB 4.24Å; F34-E43 HydrophobicContact CZ-CG 4.29Å
35A91.1Very high86.4Confident99 Ų9957.7 Ų57.782%0.81831%0.313SS*.SBendtrans-65.5-36.1178.400000111.7
36D93.4Very high87.2Confident58 Ų5857.8 Ų57.831%0.3131%0.308SS..SBendtrans-155.6169.5176.758.755.5000109.9F34 T38 A39 E40 P219F34-D36 VanDerWaalsContact C-N 3.28Å; F34-D36 PolarHBondContact O-N 2.83Å; D36-T38 VanDerWaalsContact C-N 3.25Å; D36-T38 PolarHBondContact O-N 3.41Å; D36-T38 WeakPolarHBondContact OD1-CA 3.38Å; D36-T38 VanDerWaalsContact OD1-CB 3.26Å; D36-T38 WeakPolarHBondContact OD1-CB 3.37Å; D36-T38 PolarHBondContact OD1-N 3.26Å; D36-A39 PolarHBondContact O-N 3.07Å; D36-A39 PolarHBondContact OD1-N 3.27Å; D36-E40 PolarHBondContact O-N 3.38Å; D36-P219 HydrophobicContact CB-CG 3.78Å
37P93.8Very high88.1Confident31 Ų3157.8 Ų57.820%0.20130%0.3CS..Hα-helixtrans-61.8-23.3177.5-28.837.7000115.8E40 L41 D218 F222P37-E40 PolarHBondContact O-N 2.82Å; P37-L41 PolarHBondContact O-N 2.9Å; P37-D218 WeakPolarHBondContact CG-OD1 3.49Å; P37-F222 HydrophobicContact CB-CE2 3.98Å; P37-F222 HydrophobicContact CB-CZ 4.36Å
38T96.1Very high89.2Confident0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-72-38.1175.1-60.30000111.2D36 E40 L41 L42 P219 F222 L223D36-T38 VanDerWaalsContact C-N 3.25Å; D36-T38 PolarHBondContact O-N 3.41Å; D36-T38 WeakPolarHBondContact OD1-CA 3.38Å; D36-T38 VanDerWaalsContact OD1-CB 3.26Å; D36-T38 WeakPolarHBondContact OD1-CB 3.37Å; D36-T38 PolarHBondContact OD1-N 3.26Å; T38-E40 VanDerWaalsContact C-N 3.31Å; T38-E40 PolarHBondContact O-N 3.23Å; T38-L41 WeakPolarHBondContact O-CB 3.08Å; T38-L41 PolarHBondContact O-N 2.79Å; T38-L42 HydrophobicContact CG2-CD1 4.06Å; T38-L42 HydrophobicContact CG2-CG 4.39Å; T38-L42 WeakPolarHBondContact O-CB 3.3Å; T38-L42 WeakPolarHBondContact O-CG 3.37Å; T38-L42 PolarHBondContact O-N 2.64Å; T38-P219 WeakPolarHBondContact OG1-CD 3.26Å; T38-P219 VanDerWaalsContact OG1-CG 3.27Å; T38-P219 WeakPolarHBondContact OG1-CG 3.4Å; T38-F222 WeakPolarHBondContact CB-O 3.45Å; T38-F222 WeakPolarHBondContact CG2-O 3.5Å; T38-F222 PolarHBondContact OG1-O 3.17Å; T38-L223 HydrophobicContact CG2-CD1 4.45Å
39A95.2Very high90.2Very high33 Ų3350 Ų5027%0.27326%0.256SS..Hα-helixtrans-63.3-38.1173.600000111.8F34 D36 E43F34-A39 HydrophobicContact CB-CB 4.27Å; F34-A39 HydrophobicContact CD1-CB 4.35Å; D36-A39 PolarHBondContact O-N 3.07Å; D36-A39 PolarHBondContact OD1-N 3.27Å; A39-E43 PolarHBondContact O-N 2.9Å; A39-E43 VanDerWaalsContact O-N 3.16Å
40E94.7Very high90.7Very high39 Ų3952.8 Ų52.818%0.18227%0.268CS..Hα-helixtrans-61.1-49.4171.9-177-178.188.900111.3I23 V29 F34 D36 P37 T38 L42 E43 C44 Q267 Y269I23-E40 HydrophobicContact CD1-CG 4.28Å; I23-E40 VanDerWaalsContact CD1-OE1 3.32Å; I23-E40 WeakPolarHBondContact CD1-OE1 3.47Å; V29-E40 HydrophobicContact CG1-CG 4.1Å; F34-E40 HydrophobicContact CB-CB 4.09Å; F34-E40 HydrophobicContact CD1-CB 4.19Å; F34-E40 HydrophobicContact CD2-CB 3.61Å; F34-E40 HydrophobicContact CD2-CG 3.76Å; F34-E40 HydrophobicContact CE2-CB 4.07Å; F34-E40 HydrophobicContact CE2-CG 3.79Å; F34-E40 HydrophobicContact CG-CB 3.68Å; F34-E40 HydrophobicContact CG-CG 4.33Å; F34-E40 HydrophobicContact CZ-CG 4.37Å; D36-E40 PolarHBondContact O-N 3.38Å; P37-E40 PolarHBondContact O-N 2.82Å; T38-E40 VanDerWaalsContact C-N 3.31Å; T38-E40 PolarHBondContact O-N 3.23Å; E40-L42 PolarHBondContact O-N 3.4Å; E40-E43 PolarHBondContact O-N 3.02Å; E40-C44 PolarHBondContact O-N 3.29Å; E40-C44 PolarHBondContact O-SG 3.41Å; E40-Q267 PolarHBondContact OE1-NE2 2.84Å; E40-Q267 VanDerWaalsContact OE1-NE2 3.08Å; E40-Y269 HydrophobicContact CG-CE2 4.19Å; E40-Y269 VanDerWaalsContact OE1-CE2 3.3Å; E40-Y269 WeakPolarHBondContact OE1-CE2 3.39Å; E40-Y269 PolarHBondContact OE1-OH 3.34Å
41L95.7Very high91Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-53.5-52.5175.8175.589.1000111.4P37 T38 E43 C44 V45 F222 L223 A251 Y269 V271P37-L41 PolarHBondContact O-N 2.9Å; T38-L41 WeakPolarHBondContact O-CB 3.08Å; T38-L41 PolarHBondContact O-N 2.79Å; L41-E43 PolarHBondContact O-N 3.08Å; L41-C44 WeakPolarHBondContact O-CB 3.46Å; L41-C44 PolarHBondContact O-N 2.81Å; L41-C44 VanDerWaalsContact O-N 3.15Å; L41-V45 HydrophobicContact CG-CG2 4.35Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.76Å; L41-F222 HydrophobicContact CB-CE1 4.4Å; L41-F222 HydrophobicContact CD1-CE1 4.27Å; L41-F222 HydrophobicContact CD2-CD1 4.27Å; L41-F222 HydrophobicContact CD2-CE1 3.79Å; L41-F222 HydrophobicContact CG-CE1 4.38Å; L41-L223 HydrophobicContact CD2-CB 4.32Å; L41-L223 HydrophobicContact CD2-CD1 4.32Å; L41-L223 HydrophobicContact CD2-CD2 3.92Å; L41-L223 HydrophobicContact CD2-CG 4.42Å; L41-A251 HydrophobicContact CD2-CB 4.28Å; L41-Y269 HydrophobicContact CB-CE1 4.43Å; L41-Y269 VanDerWaalsContact CD1-CB 3.44Å; L41-Y269 HydrophobicContact CD1-CD1 3.33Å; L41-Y269 HydrophobicContact CD1-CD2 4.1Å; L41-Y269 HydrophobicContact CD1-CE1 4.03Å; L41-Y269 HydrophobicContact CD1-CG 3.38Å; L41-V271 HydrophobicContact CD1-CG2 3.74Å; L41-V271 HydrophobicContact CD2-CG2 4.35Å; L41-V271 HydrophobicContact CG-CG2 4.32Å
42L96.1Very high91.3Very high35 Ų3545.2 Ų45.218%0.18323%0.23CC..Hα-helixtrans-61.7-41.7-175.4-75.8169.9000112.1T38 E40 V45 K46 L223 Q227 L231T38-L42 HydrophobicContact CG2-CD1 4.06Å; T38-L42 HydrophobicContact CG2-CG 4.39Å; T38-L42 WeakPolarHBondContact O-CB 3.3Å; T38-L42 WeakPolarHBondContact O-CG 3.37Å; T38-L42 PolarHBondContact O-N 2.64Å; E40-L42 PolarHBondContact O-N 3.4Å; L42-V45 PolarHBondContact O-N 2.75Å; L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.19Å; L42-K46 PolarHBondContact O-N 3.49Å; L42-L223 HydrophobicContact CD2-CD1 3.7Å; L42-L223 HydrophobicContact CG-CD1 4.26Å; L42-Q227 HydrophobicContact CD1-CB 4.17Å; L42-Q227 HydrophobicContact CD1-CG 4.3Å; L42-L231 HydrophobicContact CD2-CB 4.42Å; L42-L231 HydrophobicContact CD2-CD2 4.25Å
43E93.9Very high91.2Very high35 Ų3540.7 Ų40.716%0.16422%0.218CC..Hα-helixtrans-66-39.7175.3-175.567.6-177.300111.2R32 F34 A39 E40 L41 K46 L47R32-E43 IonicContact CZ-OE1 2.78Å; R32-E43 IonicContact NH1-OE1 3.75Å; R32-E43 PolarHBondContact NH1-OE1 3.33Å; F34-E43 HydrophobicContact CE1-CB 3.69Å; F34-E43 HydrophobicContact CE1-CG 4.01Å; F34-E43 HydrophobicContact CZ-CB 4.24Å; F34-E43 HydrophobicContact CZ-CG 4.29Å; A39-E43 PolarHBondContact O-N 2.9Å; A39-E43 VanDerWaalsContact O-N 3.16Å; E40-E43 PolarHBondContact O-N 3.02Å; L41-E43 PolarHBondContact O-N 3.08Å; E43-K46 PolarHBondContact O-N 3.18Å; E43-K46 IonicContact OE2-NZ 2.78Å; E43-L47 HydrophobicContact CG-CD1 4.35Å; E43-L47 VanDerWaalsContact O-CG 3.27Å; E43-L47 WeakPolarHBondContact O-CG 3.47Å; E43-L47 PolarHBondContact O-N 3.32Å
44C92.7Very high90.7Very high4 Ų435.4 Ų35.43%0.02720%0.203CC..Hα-helixtrans-64.1-44.5176.3-64.80000112.2T20 I23 E40 L41 L47 Q48T20-C44 HydrophobicContact CG2-CB 3.51Å; I23-C44 HydrophobicContact CG2-CB 4.46Å; E40-C44 PolarHBondContact O-N 3.29Å; E40-C44 PolarHBondContact O-SG 3.41Å; L41-C44 WeakPolarHBondContact O-CB 3.46Å; L41-C44 PolarHBondContact O-N 2.81Å; L41-C44 VanDerWaalsContact O-N 3.15Å; C44-L47 PolarHBondContact O-N 3.35Å; C44-Q48 PolarHBondContact O-N 3.2Å
45V94.1Very high89.8Confident2 Ų241.1 Ų41.11%0.01222%0.224CC..Hα-helixtrans-62.5-46.6176.6170.60000110.2V18 L41 L42 L47 Q48 L49 L231 V271 F273V18-V45 HydrophobicContact CB-CG1 4.46Å; V18-V45 HydrophobicContact CG1-CB 4.47Å; V18-V45 HydrophobicContact CG1-CG1 4.2Å; V18-V45 HydrophobicContact CG1-CG2 4.33Å; V18-V45 HydrophobicContact CG2-CG1 4.36Å; L41-V45 HydrophobicContact CG-CG2 4.35Å; L41-V45 WeakPolarHBondContact O-CG2 3.47Å; L41-V45 PolarHBondContact O-N 2.76Å; L42-V45 PolarHBondContact O-N 2.75Å; V45-L47 PolarHBondContact O-N 3.33Å; V45-Q48 PolarHBondContact O-N 3.33Å; V45-L49 HydrophobicContact CG1-CD1 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.37Å; V45-L49 PolarHBondContact O-N 3.16Å; V45-L231 HydrophobicContact CG1-CD2 3.75Å; V45-V271 HydrophobicContact CG2-CG2 3.86Å; V45-F273 HydrophobicContact CG1-CE2 4.22Å; V45-F273 HydrophobicContact CG1-CZ 4.07Å
46K93.1Very high88.9Confident49 Ų4943 Ų4321%0.21321%0.213CC..Hα-helixtrans-53.6-50.3175.4177.2-171165-168.90111.5L42 E43 Q48 L49 E50 L231 C235 F236L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.19Å; L42-K46 PolarHBondContact O-N 3.49Å; E43-K46 PolarHBondContact O-N 3.18Å; E43-K46 IonicContact OE2-NZ 2.78Å; K46-Q48 VanDerWaalsContact C-N 3.3Å; K46-Q48 PolarHBondContact O-N 2.99Å; K46-L49 PolarHBondContact O-N 3.07Å; K46-E50 WeakPolarHBondContact CE-OE1 3.26Å; K46-E50 HydrophobicContact CG-CG 4.37Å; K46-E50 WeakPolarHBondContact O-CB 3.17Å; K46-E50 WeakPolarHBondContact O-CG 3.43Å; K46-E50 PolarHBondContact O-N 2.91Å; K46-L231 HydrophobicContact CB-CD1 3.8Å; K46-L231 HydrophobicContact CG-CD1 4.35Å; K46-C235 HydrophobicContact CD-CB 4.25Å; K46-C235 HydrophobicContact CG-CB 4.19Å; K46-F236 HydrophobicContact CG-CE2 4.46Å; K46-F236 HydrophobicContact CG-CZ 4.27Å
47L89.5Confident88.1Confident31 Ų3144.3 Ų44.316%0.16222%0.217CC..Hα-helixtrans-60.2-37.5-179.9-71.2167.3000112.8V28 V29 E43 C44 V45 R51V28-L47 HydrophobicContact CB-CD1 4.24Å; V28-L47 HydrophobicContact CG1-CD1 3.51Å; V28-L47 HydrophobicContact CG1-CD2 4.04Å; V28-L47 HydrophobicContact CG1-CG 4.44Å; V29-L47 HydrophobicContact CG2-CD1 3.95Å; E43-L47 HydrophobicContact CG-CD1 4.35Å; E43-L47 VanDerWaalsContact O-CG 3.27Å; E43-L47 WeakPolarHBondContact O-CG 3.47Å; E43-L47 PolarHBondContact O-N 3.32Å; C44-L47 PolarHBondContact O-N 3.35Å; V45-L47 PolarHBondContact O-N 3.33Å; L47-R51 VanDerWaalsContact O-CG 3.31Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 2.91Å
48Q89Confident87.4Confident7 Ų743.7 Ų43.73%0.03321%0.212CC..Hα-helixtrans-70.1-42.9175.7-66-52.7-3400112V18 T20 C44 V45 K46 E50 R51 W52 V68 N70V18-Q48 HydrophobicContact CG1-CB 3.71Å; V18-Q48 HydrophobicContact CG1-CG 4.17Å; T20-Q48 PolarHBondContact O-NE2 3Å; C44-Q48 PolarHBondContact O-N 3.2Å; V45-Q48 PolarHBondContact O-N 3.33Å; K46-Q48 VanDerWaalsContact C-N 3.3Å; K46-Q48 PolarHBondContact O-N 2.99Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; Q48-E50 PolarHBondContact O-N 2.67Å; Q48-R51 PolarHBondContact O-N 2.74Å; Q48-W52 PolarHBondContact O-N 3.39Å; Q48-V68 HydrophobicContact CB-CG1 4.19Å; Q48-N70 PolarHBondContact NE2-ND2 3.13Å
49L90.6Very high86.8Confident1 Ų146.1 Ų46.11%0.00523%0.225CC..Hα-helixtrans-66.3-34.9177.5-69.5179.8000112.1F6 F16 V18 V45 K46 W52 S53 V68 L231 F236F6-L49 HydrophobicContact CE2-CD2 4.38Å; F6-L49 HydrophobicContact CZ-CD1 4.24Å; F6-L49 HydrophobicContact CZ-CD2 4.17Å; F16-L49 HydrophobicContact CE2-CD2 4.03Å; V18-L49 HydrophobicContact CG2-CD2 3.75Å; V18-L49 HydrophobicContact CG2-CG 4.21Å; V45-L49 HydrophobicContact CG1-CD1 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.22Å; V45-L49 WeakPolarHBondContact O-CG 3.37Å; V45-L49 PolarHBondContact O-N 3.16Å; K46-L49 PolarHBondContact O-N 3.07Å; L49-W52 HydrophobicContact CD2-CE3 3.62Å; L49-W52 HydrophobicContact CD2-CZ3 3.84Å; L49-W52 PolarHBondContact O-N 3.01Å; L49-S53 VanDerWaalsContact O-CB 3.26Å; L49-S53 WeakPolarHBondContact O-CB 3.49Å; L49-S53 PolarHBondContact O-N 3.2Å; L49-S53 PolarHBondContact O-OG 2.96Å; L49-V68 HydrophobicContact CD2-CG2 4.49Å; L49-L231 HydrophobicContact CD1-CD2 4.31Å; L49-F236 HydrophobicContact CB-CE1 3.83Å; L49-F236 HydrophobicContact CB-CE2 3.85Å; L49-F236 HydrophobicContact CB-CZ 3.28Å; L49-F236 HydrophobicContact CD1-CE2 3.96Å; L49-F236 HydrophobicContact CD1-CZ 4.27Å; L49-F236 HydrophobicContact CG-CZ 4.42Å
50E88.3Confident86.3Confident74 Ų7446.4 Ų46.435%0.34623%0.225SC..Hα-helixtrans-63.9-44.1173-77.4177.7175.700112.1K46 Q48 W52 S53 S54 F236K46-E50 WeakPolarHBondContact CE-OE1 3.26Å; K46-E50 HydrophobicContact CG-CG 4.37Å; K46-E50 WeakPolarHBondContact O-CB 3.17Å; K46-E50 WeakPolarHBondContact O-CG 3.43Å; K46-E50 PolarHBondContact O-N 2.91Å; Q48-E50 VanDerWaalsContact C-N 3.35Å; Q48-E50 PolarHBondContact O-N 2.67Å; E50-W52 VanDerWaalsContact C-N 3.31Å; E50-W52 PolarHBondContact O-N 3.03Å; E50-S53 WeakPolarHBondContact CA-OG 3.47Å; E50-S53 PolarHBondContact O-OG 3.32Å; E50-S54 VanDerWaalsContact O-CB 3.23Å; E50-S54 WeakPolarHBondContact O-CB 3.49Å; E50-S54 PolarHBondContact O-N 2.89Å; E50-S54 PolarHBondContact O-OG 2.66Å; E50-F236 HydrophobicContact CB-CE1 4.45Å; E50-F236 HydrophobicContact CG-CE1 3.77Å; E50-F236 HydrophobicContact CG-CZ 3.94Å
51R83.2Confident85.9Confident82 Ų8251.6 Ų51.631%0.30924%0.244SC..Hα-helixtrans-59.8-44.1174.2-71.3171.2-179.5-168.8-1.8111.2L47 Q48 R55 N70L47-R51 VanDerWaalsContact O-CG 3.31Å; L47-R51 WeakPolarHBondContact O-CG 3.48Å; L47-R51 PolarHBondContact O-N 2.91Å; Q48-R51 PolarHBondContact O-N 2.74Å; R51-R55 VanDerWaalsContact O-CB 3.3Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 2.91Å; R51-N70 PolarHBondContact NH1-OD1 2.87Å
52W84.1Confident85.2Confident0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-67.4-53.4178.1176.336.7000113.1Y5 F6 F9 F16 Q48 L49 E50 S54 K56 L59 V68Y5-W52 HydrophobicContact CE1-CZ2 4.4Å; Y5-W52 AromaticContact CE1-NE1 3.59Å; F6-W52 HydrophobicContact CD2-CE3 4.17Å; F6-W52 HydrophobicContact CD2-CH2 4.44Å; F6-W52 AromaticContact CD2-CZ3 3.94Å; F6-W52 HydrophobicContact CD2-CZ3 3.94Å; F6-W52 AromaticContact CE2-CE3 4Å; F6-W52 HydrophobicContact CE2-CE3 4Å; F6-W52 HydrophobicContact CE2-CH2 4.26Å; F6-W52 AromaticContact CE2-CZ3 3.53Å; F6-W52 HydrophobicContact CE2-CZ3 3.53Å; F9-W52 AromaticContact CD1-CH2 3.49Å; F9-W52 HydrophobicContact CD1-CH2 3.49Å; F9-W52 VanDerWaalsContact CD1-CH2 3.49Å; F9-W52 HydrophobicContact CD1-CZ2 4.08Å; F9-W52 HydrophobicContact CD1-CZ3 4.3Å; F9-W52 AromaticContact CD2-CH2 3.99Å; F9-W52 HydrophobicContact CD2-CH2 3.99Å; F9-W52 AromaticContact CD2-CZ2 3.78Å; F9-W52 HydrophobicContact CD2-CZ2 3.78Å; F9-W52 AromaticContact CE1-CH2 3.38Å; F9-W52 HydrophobicContact CE1-CH2 3.38Å; F9-W52 HydrophobicContact CE1-CZ2 4.17Å; F9-W52 HydrophobicContact CE1-CZ3 4.26Å; F9-W52 AromaticContact CE2-CH2 3.84Å; F9-W52 HydrophobicContact CE2-CH2 3.84Å; F9-W52 AromaticContact CE2-CZ2 3.82Å; F9-W52 HydrophobicContact CE2-CZ2 3.82Å; F9-W52 AromaticContact CG-CH2 3.84Å; F9-W52 HydrophobicContact CG-CH2 3.84Å; F9-W52 AromaticContact CG-CZ2 3.92Å; F9-W52 HydrophobicContact CG-CZ2 3.92Å; F9-W52 AromaticContact CZ-CH2 3.57Å; F9-W52 HydrophobicContact CZ-CH2 3.57Å; F9-W52 HydrophobicContact CZ-CZ2 4.05Å; F16-W52 HydrophobicContact CD2-CZ3 4.33Å; Q48-W52 PolarHBondContact O-N 3.39Å; L49-W52 HydrophobicContact CD2-CE3 3.62Å; L49-W52 HydrophobicContact CD2-CZ3 3.84Å; L49-W52 PolarHBondContact O-N 3.01Å; E50-W52 VanDerWaalsContact C-N 3.31Å; E50-W52 PolarHBondContact O-N 3.03Å; W52-S54 PolarHBondContact O-N 3.15Å; W52-K56 WeakPolarHBondContact O-CA 3.22Å; W52-K56 PolarHBondContact O-N 3.22Å; W52-L59 HydrophobicContact CZ2-CD1 3.76Å; W52-L59 HydrophobicContact CZ2-CD2 4.44Å; W52-V68 HydrophobicContact CB-CG1 3.76Å; W52-V68 HydrophobicContact CB-CG2 4.14Å; W52-V68 HydrophobicContact CD2-CG2 3.39Å; W52-V68 HydrophobicContact CE3-CG2 3.22Å; W52-V68 HydrophobicContact CG-CG1 4.29Å; W52-V68 HydrophobicContact CG-CG2 3.83Å; W52-V68 HydrophobicContact CH2-CG2 4.03Å; W52-V68 HydrophobicContact CZ2-CG2 4.29Å; W52-V68 HydrophobicContact CZ3-CG2 3.53Å
53S82Confident84.5Confident32 Ų3259.6 Ų59.622%0.22429%0.286CS..Hα-helixtrans-63.3-39.6-176.255.10000112.8L49 E50L49-S53 VanDerWaalsContact O-CB 3.26Å; L49-S53 WeakPolarHBondContact O-CB 3.49Å; L49-S53 PolarHBondContact O-N 3.2Å; L49-S53 PolarHBondContact O-OG 2.96Å; E50-S53 WeakPolarHBondContact CA-OG 3.47Å; E50-S53 PolarHBondContact O-OG 3.32Å
54S77.4Confident84Confident87 Ų8761.1 Ų61.161%0.60831%0.311SS*.Hα-helixtrans-86.1-37.7-17770.40000114E50 W52E50-S54 VanDerWaalsContact O-CB 3.23Å; E50-S54 WeakPolarHBondContact O-CB 3.49Å; E50-S54 PolarHBondContact O-N 2.89Å; E50-S54 PolarHBondContact O-OG 2.66Å; W52-S54 PolarHBondContact O-N 3.15Å
55R72.2Confident83.8Confident165 Ų16561 Ų6162%0.62331%0.311SS*.Hα-helixtrans-110.5-10.6-172.4-49.4-170.9-179.7179.8-2.4114.1R51 E57R51-R55 VanDerWaalsContact O-CB 3.3Å; R51-R55 WeakPolarHBondContact O-CB 3.44Å; R51-R55 PolarHBondContact O-N 2.91Å; R55-E57 HydrophobicContact CB-CB 4.15Å; R55-E57 HydrophobicContact CB-CG 3.64Å; R55-E57 WeakPolarHBondContact CD-OE1 3.4Å; R55-E57 WeakPolarHBondContact CD-OE2 3.31Å; R55-E57 IonicContact NH1-OE2 3.08Å; R55-E57 PolarHBondContact O-N 3.47Å; R55-E57 VanDerWaalsContact O-N 3.1Å
56K72.9Confident83.7Confident138 Ų13861 Ų6160%0.631%0.311SS*.  trans53.124.1-170-57.4175.7-177.6170.80112.6W52W52-K56 WeakPolarHBondContact O-CA 3.22Å; W52-K56 PolarHBondContact O-N 3.22Å
57E75.8Confident83.5Confident86 Ų8658.7 Ų58.740%0.40230%0.301SS..  trans-78.2167.5173.7-72.2170.5-170.600109.2R55 L59R55-E57 HydrophobicContact CB-CB 4.15Å; R55-E57 HydrophobicContact CB-CG 3.64Å; R55-E57 WeakPolarHBondContact CD-OE1 3.4Å; R55-E57 WeakPolarHBondContact CD-OE2 3.31Å; R55-E57 IonicContact NH1-OE2 3.08Å; R55-E57 PolarHBondContact O-N 3.47Å; R55-E57 VanDerWaalsContact O-N 3.1Å; E57-L59 PolarHBondContact O-N 2.84Å
58N78.1Confident83.5Confident17 Ų1757.2 Ų57.29%0.09129%0.293CS..SBendtrans66.42.6162.6-67.81.9000117V68 K69 L71N58-V68 HydrophobicContact CB-CG1 4.34Å; N58-V68 WeakPolarHBondContact O-CA 3.49Å; N58-K69 WeakPolarHBondContact CB-O 3.44Å; N58-K69 PolarHBondContact ND2-O 3.33Å; N58-K69 PolarHBondContact O-N 3.14Å; N58-L71 HydrophobicContact CB-CG 4.42Å; N58-L71 WeakPolarHBondContact OD1-CB 3.45Å; N58-L71 WeakPolarHBondContact OD1-CD1 3.48Å; N58-L71 WeakPolarHBondContact OD1-CG 3.46Å
59L84Confident83.2Confident51 Ų5158.3 Ų58.327%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-81.2125.8175.8-178.764000110.7W52 E57 Y61 A66W52-L59 HydrophobicContact CZ2-CD1 3.76Å; W52-L59 HydrophobicContact CZ2-CD2 4.44Å; E57-L59 PolarHBondContact O-N 2.84Å; L59-Y61 HydrophobicContact CD2-CE2 3.98Å; L59-Y61 HydrophobicContact CG-CE2 4.18Å; L59-A66 HydrophobicContact CD1-CB 3.96Å
60S85.5Confident82.5Confident40 Ų4059.2 Ų59.228%0.2830%0.302SS..EExtended strand (participates in β ladder)trans-128165.5168.762.70000109.7A67S60-A67 PolarHBondContact N-O 3.31Å; S60-A67 PolarHBondContact O-N 3.46Å; S60-A67 WeakPolarHBondContact OG-CB 3.43Å; S60-A67 PolarHBondContact OG-O 2.96Å
61Y85.6Confident80.9Confident148 Ų14860.7 Ų60.758%0.5831%0.312SS*.EExtended strand (participates in β ladder)trans-119.6121.8172.1-75.4-94.5000109.2L59 C65 A66L59-Y61 HydrophobicContact CD2-CE2 3.98Å; L59-Y61 HydrophobicContact CG-CE2 4.18Å; Y61-C65 CarbonylContact C-O 3.38Å; Y61-C65 WeakPolarHBondContact CA-O 3.21Å; Y61-A66 HydrophobicContact CD1-CB 4.47Å; Y61-A66 HydrophobicContact CE1-CB 4.08Å
62E81.1Confident79.8Confident29 Ų2961.1 Ų61.114%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-113114175.4-60.8-164.4151.300108.9Y19 G64 C65 A67 K69 K112Y19-E62 PolarHBondContact OH-OE2 2.97Å; E62-G64 PolarHBondContact O-N 3.5Å; E62-G64 VanDerWaalsContact O-N 3.16Å; E62-C65 PolarHBondContact N-O 2.64Å; E62-C65 WeakPolarHBondContact O-CB 3.17Å; E62-C65 PolarHBondContact O-N 2.93Å; E62-A67 HydrophobicContact CG-CB 4.19Å; E62-K69 VanDerWaalsContact OE1-CE 3.32Å; E62-K69 WeakPolarHBondContact OE1-CE 3.45Å; E62-K69 IonicContact OE1-NZ 3.51Å; E62-K69 PolarHBondContact OE1-NZ 2.8Å; E62-K69 IonicContact OE2-NZ 3.6Å; E62-K112 IonicContact OE1-NZ 3.92Å; E62-K112 PolarHBondContact OE1-NZ 2.83Å
63N82.2Confident78.2Confident174 Ų17469 Ų6993%0.9336%0.359SS*.THydrogen-bonded Turntrans52.734.9-177.6-57.5-26.7000113.5C65N63-C65 VanDerWaalsContact C-N 3.29Å; N63-C65 PolarHBondContact O-N 3.49Å
64G83.3Confident76.8Confident66 Ų6669.5 Ų69.568%0.6836%0.361SS*.THydrogen-bonded Turntrans85-10.3-177.900000115.1E62E62-G64 PolarHBondContact O-N 3.5Å; E62-G64 VanDerWaalsContact O-N 3.16Å
65C88.6Confident75.4Confident3 Ų370.7 Ų70.72%0.0237%0.369CS..EExtended strand (participates in β ladder)trans-88.3132.4175.2-178.90000110.7E15 Y61 E62 N63E15-C65 VanDerWaalsContact CD-SG 3.55Å; E15-C65 HydrophobicContact CG-CB 4.23Å; E15-C65 PolarHBondContact OE2-SG 2.9Å; Y61-C65 CarbonylContact C-O 3.38Å; Y61-C65 WeakPolarHBondContact CA-O 3.21Å; E62-C65 PolarHBondContact N-O 2.64Å; E62-C65 WeakPolarHBondContact O-CB 3.17Å; E62-C65 PolarHBondContact O-N 2.93Å; N63-C65 VanDerWaalsContact C-N 3.29Å; N63-C65 PolarHBondContact O-N 3.49Å
66A90.3Very high74.4Confident2 Ų266.3 Ų66.32%0.01736%0.364CS..EExtended strand (participates in β ladder)trans-68131.517600000110.4F9 F16 R17 L59 Y61F9-A66 HydrophobicContact CE2-CB 3.65Å; F9-A66 HydrophobicContact CZ-CB 3.51Å; F16-A66 CarbonylContact C-O 3.38Å; F16-A66 VanDerWaalsContact CA-O 3.28Å; F16-A66 WeakPolarHBondContact CA-O 3.35Å; F16-A66 HydrophobicContact CB-CB 4.13Å; R17-A66 PolarHBondContact N-O 2.88Å; L59-A66 HydrophobicContact CD1-CB 3.96Å; Y61-A66 HydrophobicContact CD1-CB 4.47Å; Y61-A66 HydrophobicContact CE1-CB 4.08Å
67A90.1Very high73.4Confident0 Ų069 Ų690%038%0.376CS..EExtended strand (participates in β ladder)trans-129.8114.8-178.900000110R17 Y19 S60 E62R17-A67 HydrophobicContact CB-CB 4.48Å; R17-A67 WeakPolarHBondContact O-CA 3.21Å; Y19-A67 HydrophobicContact CD2-CB 4.27Å; Y19-A67 HydrophobicContact CE2-CB 3.58Å; S60-A67 PolarHBondContact N-O 3.31Å; S60-A67 PolarHBondContact O-N 3.46Å; S60-A67 WeakPolarHBondContact OG-CB 3.43Å; S60-A67 PolarHBondContact OG-O 2.96Å; E62-A67 HydrophobicContact CG-CB 4.19Å
68V88.5Confident72.9Confident0 Ų067.7 Ų67.70%037%0.37CS..EExtended strand (participates in β ladder)trans-90.6116.4174.4-175.10000108.7R17 Y19 Q48 L49 W52 N58R17-V68 PolarHBondContact O-N 3.33Å; Y19-V68 PolarHBondContact N-O 2.84Å; Q48-V68 HydrophobicContact CB-CG1 4.19Å; L49-V68 HydrophobicContact CD2-CG2 4.49Å; W52-V68 HydrophobicContact CB-CG1 3.76Å; W52-V68 HydrophobicContact CB-CG2 4.14Å; W52-V68 HydrophobicContact CD2-CG2 3.39Å; W52-V68 HydrophobicContact CE3-CG2 3.22Å; W52-V68 HydrophobicContact CG-CG1 4.29Å; W52-V68 HydrophobicContact CG-CG2 3.83Å; W52-V68 HydrophobicContact CH2-CG2 4.03Å; W52-V68 HydrophobicContact CZ2-CG2 4.29Å; W52-V68 HydrophobicContact CZ3-CG2 3.53Å; N58-V68 HydrophobicContact CB-CG1 4.34Å; N58-V68 WeakPolarHBondContact O-CA 3.49Å
69K83.8Confident73Confident29 Ų2972.9 Ų72.913%0.12639%0.394CS..EExtended strand (participates in β ladder)trans-123.8139.5-175.2-55.4-162.9177.9-160.60112.7Y19 N58 E62 L71Y19-K69 HydrophobicContact CD1-CD 4.43Å; Y19-K69 HydrophobicContact CD2-CD 4.31Å; Y19-K69 HydrophobicContact CD2-CG 3.7Å; Y19-K69 HydrophobicContact CE2-CG 4.34Å; Y19-K69 HydrophobicContact CG-CD 4.24Å; Y19-K69 HydrophobicContact CG-CG 3.86Å; N58-K69 WeakPolarHBondContact CB-O 3.44Å; N58-K69 PolarHBondContact ND2-O 3.33Å; N58-K69 PolarHBondContact O-N 3.14Å; E62-K69 VanDerWaalsContact OE1-CE 3.32Å; E62-K69 WeakPolarHBondContact OE1-CE 3.45Å; E62-K69 IonicContact OE1-NZ 3.51Å; E62-K69 PolarHBondContact OE1-NZ 2.8Å; E62-K69 IonicContact OE2-NZ 3.6Å; K69-L71 PolarHBondContact O-N 3.36Å
70N74.8Confident73.1Confident21 Ų2171 Ų7111%0.11238%0.384CS..  trans-64.1104.4168.6-161.9-2.7000110.6Y19 T20 Q48 R51 T72Y19-N70 PolarHBondContact O-N 2.6Å; T20-N70 WeakPolarHBondContact O-CB 3.29Å; T20-N70 PolarHBondContact O-ND2 3.23Å; T20-N70 VanDerWaalsContact O-ND2 3.13Å; Q48-N70 PolarHBondContact NE2-ND2 3.13Å; R51-N70 PolarHBondContact NH1-OD1 2.87Å; N70-T72 PolarHBondContact O-N 2.88Å; N70-T72 PolarHBondContact OD1-OG1 3.28Å
71L56.2Low73.2Confident104 Ų10472.5 Ų72.555%0.54539%0.387SS..  trans-74.1-10.3-179.8-71.1179.2000113.7N58 K69 F73N58-L71 HydrophobicContact CB-CG 4.42Å; N58-L71 WeakPolarHBondContact OD1-CB 3.45Å; N58-L71 WeakPolarHBondContact OD1-CD1 3.48Å; N58-L71 WeakPolarHBondContact OD1-CG 3.46Å; K69-L71 PolarHBondContact O-N 3.36Å; L71-F73 VanDerWaalsContact O-CD2 3.24Å; L71-F73 WeakPolarHBondContact O-CD2 3.38Å; L71-F73 PolarHBondContact O-N 3.48Å
72T59.5Low73.3Confident92 Ų9268.3 Ų68.356%0.56439%0.388SS*.SBendtrans-66.790.4159.924.60000106.9N70N70-T72 PolarHBondContact O-N 2.88Å; N70-T72 PolarHBondContact OD1-OG1 3.28Å
73F50.3Low73.7Confident165 Ų16570.2 Ų70.272%0.72440%0.4SS*.  trans-38.3136.4160.8-66.4-89.6000107.4L71 S75L71-F73 VanDerWaalsContact O-CD2 3.24Å; L71-F73 WeakPolarHBondContact O-CD2 3.38Å; L71-F73 PolarHBondContact O-N 3.48Å; F73-S75 WeakPolarHBondContact O-CA 3.39Å; F73-S75 PolarHBondContact O-N 2.72Å
74P52.3Low74.2Confident43 Ų4363.9 Ų63.928%0.27936%0.363SS..  trans-45.4119.6173.618.2-29.1000106.6D22 S76 L266D22-P74 HydrophobicContact CB-CB 4.32Å; P74-S76 CarbonylContact O-C 3.55Å; P74-S76 PolarHBondContact O-N 2.94Å; P74-L266 HydrophobicContact CB-CD1 3.9Å; P74-L266 HydrophobicContact CG-CD1 4.4Å
75S48.7Very low74.6Confident111 Ų11165.4 Ų65.478%0.77636%0.363SS*.SBendtrans-64.34.2-162.436.20000114F73F73-S75 WeakPolarHBondContact O-CA 3.39Å; F73-S75 PolarHBondContact O-N 2.72Å
76S51.1Low74.7Confident74 Ų7468.1 Ų68.152%0.51738%0.38SS..SBendtrans-124128.315854.20000108P74 M78P74-S76 CarbonylContact O-C 3.55Å; P74-S76 PolarHBondContact O-N 2.94Å; S76-M78 PolarHBondContact O-N 3.14Å
77K52.7Low75Confident193 Ų19368 Ų6884%0.83938%0.379SS*.  trans-55.573.2146.1-71179.4174.1-174.30108.1E79K77-E79 PolarHBondContact O-N 3.26Å
78M63.6Low75.2Confident60 Ų6070.6 Ų70.630%0.29639%0.393SS..  trans-65.798.2155.6-160.5176.3-176.100101.4S76 L80 V87 A265S76-M78 PolarHBondContact O-N 3.14Å; M78-L80 HydrophobicContact CB-CD2 4.08Å; M78-L80 HydrophobicContact CB-CG 4.29Å; M78-L80 HydrophobicContact CE-CD2 4.24Å; M78-L80 HydrophobicContact CG-CD2 3.69Å; M78-L80 HydrophobicContact CG-CG 4.36Å; M78-L80 WeakPolarHBondContact O-CG 3.13Å; M78-L80 PolarHBondContact O-N 3.43Å; M78-L80 HydrophobicContact SD-CD2 3.54Å; M78-L80 VanDerWaalsContact SD-CD2 3.54Å; M78-V87 HydrophobicContact CE-CG1 3.42Å; M78-V87 VanDerWaalsContact CE-CG1 3.42Å; M78-A265 HydrophobicContact CE-CB 4.29Å; M78-A265 HydrophobicContact SD-CB 4.1Å
79E80.4Confident75.7Confident126 Ų12670.6 Ų70.659%0.58939%0.393SS*.  trans-63.979.2172.9-70.5-179.4175.400105.8K77 E81 G82 N83K77-E79 PolarHBondContact O-N 3.26Å; E79-E81 PolarHBondContact O-N 2.88Å; E79-G82 CarbonylContact O-C 3.56Å; E79-G82 WeakPolarHBondContact O-CA 3.35Å; E79-G82 PolarHBondContact O-N 3.04Å; E79-N83 PolarHBondContact O-N 3.23Å; E79-N83 PolarHBondContact O-ND2 3.5Å
80L87.2Confident76.3Confident10 Ų1070.8 Ų70.85%0.05240%0.398CS..THydrogen-bonded Turntrans-61.5-39-169.8-73.9175.8000109.6M78 N83 R84 V87 L114 V116 V256M78-L80 HydrophobicContact CB-CD2 4.08Å; M78-L80 HydrophobicContact CB-CG 4.29Å; M78-L80 HydrophobicContact CE-CD2 4.24Å; M78-L80 HydrophobicContact CG-CD2 3.69Å; M78-L80 HydrophobicContact CG-CG 4.36Å; M78-L80 WeakPolarHBondContact O-CG 3.13Å; M78-L80 PolarHBondContact O-N 3.43Å; M78-L80 HydrophobicContact SD-CD2 3.54Å; M78-L80 VanDerWaalsContact SD-CD2 3.54Å; L80-N83 CarbonylContact O-C 3.57Å; L80-N83 VanDerWaalsContact O-C 3.23Å; L80-N83 PolarHBondContact O-N 3.33Å; L80-R84 WeakPolarHBondContact O-CA 3.34Å; L80-R84 PolarHBondContact O-N 2.96Å; L80-V87 HydrophobicContact CD2-CG2 4.1Å; L80-L114 HydrophobicContact CD1-CB 3.99Å; L80-L114 HydrophobicContact CD1-CD2 4.02Å; L80-L114 HydrophobicContact CD1-CG 4.45Å; L80-V116 HydrophobicContact CB-CG1 3.6Å; L80-V116 HydrophobicContact CD1-CG1 4.47Å; L80-V256 HydrophobicContact CD1-CG2 4.15Å; L80-V256 HydrophobicContact CD2-CG1 3.76Å
81E87.6Confident77.4Confident72 Ų7269.9 Ų69.934%0.33639%0.393SS..THydrogen-bonded Turntrans-64.1-42.4174.5-172.268-171.800111.7E79 N83 R84 V116 K117E79-E81 PolarHBondContact O-N 2.88Å; E81-N83 PolarHBondContact O-N 3.28Å; E81-R84 PolarHBondContact O-N 2.75Å; E81-V116 WeakPolarHBondContact OE2-CA 3.35Å; E81-K117 WeakPolarHBondContact OE1-CD 3.34Å; E81-K117 IonicContact OE1-NZ 3.31Å; E81-K117 PolarHBondContact OE2-N 3.36Å
82G87.6Confident79.5Confident60 Ų6065.3 Ų65.362%0.61937%0.368SS*.THydrogen-bonded Turntrans-65.1-26.5174.900000113.4E79E79-G82 CarbonylContact O-C 3.56Å; E79-G82 WeakPolarHBondContact O-CA 3.35Å; E79-G82 PolarHBondContact O-N 3.04Å
83N88.4Confident81.3Confident69 Ų6961 Ų6137%0.36934%0.342SS..THydrogen-bonded Turntrans-112.323.6-178.3-63.4-65.7000113E79 L80 E81 S85 T86E79-N83 PolarHBondContact O-N 3.23Å; E79-N83 PolarHBondContact O-ND2 3.5Å; L80-N83 CarbonylContact O-C 3.57Å; L80-N83 VanDerWaalsContact O-C 3.23Å; L80-N83 PolarHBondContact O-N 3.33Å; E81-N83 PolarHBondContact O-N 3.28Å; N83-S85 PolarHBondContact O-N 3.06Å; N83-T86 PolarHBondContact O-N 2.82Å; N83-T86 PolarHBondContact O-OG1 3.21Å
84R92.6Very high83.6Confident41 Ų4153.8 Ų53.816%0.15531%0.31CS..THydrogen-bonded Turntrans-59.4-23.9-174.9-172.671.6-129.877.227.9113L80 E81 T86 V87 D88 D120L80-R84 WeakPolarHBondContact O-CA 3.34Å; L80-R84 PolarHBondContact O-N 2.96Å; E81-R84 PolarHBondContact O-N 2.75Å; R84-T86 VanDerWaalsContact C-N 3.29Å; R84-T86 PolarHBondContact O-N 2.96Å; R84-V87 VanDerWaalsContact NH1-C 3.27Å; R84-V87 PolarHBondContact NH1-O 2.87Å; R84-V87 PolarHBondContact NH2-O 2.56Å; R84-D88 IonicContact NH2-OD1 3.73Å; R84-D120 IonicContact CZ-OD1 3.84Å; R84-D120 IonicContact CZ-OD2 3.36Å; R84-D120 IonicContact NE-OD1 3.17Å; R84-D120 IonicContact NE-OD2 4Å; R84-D120 PolarHBondContact NE-OD2 3.33Å; R84-D120 IonicContact NH1-OD2 3.6Å; R84-D120 IonicContact NH2-OD1 3.4Å; R84-D120 PolarHBondContact NH2-OD1 3.01Å; R84-D120 IonicContact NH2-OD2 3.07Å; R84-D120 PolarHBondContact NH2-OD2 2.79Å
85S91.5Very high85.8Confident98 Ų9852.1 Ų52.169%0.68530%0.299SS*.THydrogen-bonded Turntrans-69.7-22.4174.858.70000114N83 K259N83-S85 PolarHBondContact O-N 3.06Å; S85-K259 VanDerWaalsContact O-CD 3.29Å; S85-K259 WeakPolarHBondContact O-CD 3.22Å
86T92.6Very high88Confident61 Ų6148.9 Ų48.937%0.37428%0.276SS..THydrogen-bonded Turntrans-103.8-13.5-172.867.90000114.2N83 R84 K259N83-T86 PolarHBondContact O-N 2.82Å; N83-T86 PolarHBondContact O-OG1 3.21Å; R84-T86 VanDerWaalsContact C-N 3.29Å; R84-T86 PolarHBondContact O-N 2.96Å; T86-K259 WeakPolarHBondContact O-CB 3.4Å; T86-K259 PolarHBondContact O-N 3.13Å
87V94.9Very high90.1Very high0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-117.3164.8179-56.90000112.4M78 L80 R84 V256 L257 K259M78-V87 HydrophobicContact CE-CG1 3.42Å; M78-V87 VanDerWaalsContact CE-CG1 3.42Å; L80-V87 HydrophobicContact CD2-CG2 4.1Å; R84-V87 VanDerWaalsContact NH1-C 3.27Å; R84-V87 PolarHBondContact NH1-O 2.87Å; R84-V87 PolarHBondContact NH2-O 2.56Å; V87-V256 HydrophobicContact CB-CG1 3.77Å; V87-V256 HydrophobicContact CG1-CG1 4.05Å; V87-V256 HydrophobicContact CG2-CG1 4Å; V87-L257 CarbonylContact C-O 3.35Å; V87-L257 WeakPolarHBondContact CA-O 3.18Å; V87-L257 WeakPolarHBondContact CB-O 3.12Å; V87-K259 WeakPolarHBondContact O-CE 3.37Å; V87-K259 PolarHBondContact O-NZ 2.87Å
88D95.7Very high92.2Very high54 Ų5441.8 Ų41.829%0.28924%0.241SC..EExtended strand (participates in β ladder)trans-125.5133.1165.9-79.5-37.8000109.5R84 V256 L257 K259R84-D88 IonicContact NH2-OD1 3.73Å; D88-V256 CarbonylContact O-C 3.58Å; D88-V256 WeakPolarHBondContact O-CA 3.3Å; D88-L257 PolarHBondContact N-O 2.93Å; D88-L257 PolarHBondContact O-N 3.4Å; D88-K259 WeakPolarHBondContact OD1-CE 3.43Å; D88-K259 IonicContact OD1-NZ 3.41Å; D88-K259 PolarHBondContact OD1-NZ 3.43Å; D88-K259 WeakPolarHBondContact OD2-CE 3.32Å; D88-K259 WeakPolarHBondContact OD2-CG 3.4Å
89I97.3Very high93.8Very high0 Ų040.4 Ų40.40%024%0.235CC..EExtended strand (participates in β ladder)trans-109.4113.8-178.8-56.7-179.9000108L114 V116 I119 D120 N121 T255 V256I89-L114 HydrophobicContact CD1-CD1 4.26Å; I89-L114 HydrophobicContact CG2-CD1 3.67Å; I89-V116 HydrophobicContact CD1-CB 4.18Å; I89-V116 HydrophobicContact CD1-CG1 3.72Å; I89-V116 HydrophobicContact CD1-CG2 3.81Å; I89-I119 HydrophobicContact CG2-CG1 4.26Å; I89-I119 HydrophobicContact CG2-CG2 4.36Å; I89-D120 PolarHBondContact N-OD2 3.08Å; I89-D120 WeakPolarHBondContact O-CB 3.44Å; I89-D120 PolarHBondContact O-N 2.86Å; I89-N121 PolarHBondContact O-N 2.91Å; I89-T255 WeakPolarHBondContact CA-O 3.45Å; I89-V256 HydrophobicContact CG1-CG2 4.34Å
90S97.8Very high94.7Very high33 Ų3336 Ų3623%0.23122%0.216CC..EExtended strand (participates in β ladder)trans-112.4137.3176.5-66.80000110.6N121 Y254 T255S90-N121 CarbonylContact C-O 3.16Å; S90-N121 WeakPolarHBondContact CA-O 3.32Å; S90-Y254 CarbonylContact O-C 3.54Å; S90-Y254 WeakPolarHBondContact O-CA 3.26Å; S90-T255 PolarHBondContact N-O 3.04Å; S90-T255 PolarHBondContact O-N 3.4Å
91V98.6Very high95.2Very high1 Ų140.5 Ų40.51%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-119.9126.2173172.40000108.4I107 V110 I119 N121 V122 I123 R253V91-I107 HydrophobicContact CG1-CD1 4.27Å; V91-V110 HydrophobicContact CG2-CB 4.27Å; V91-V110 HydrophobicContact CG2-CG1 3.74Å; V91-V110 HydrophobicContact CG2-CG2 4.06Å; V91-I119 HydrophobicContact CB-CG2 4.28Å; V91-I119 HydrophobicContact CG2-CD1 3.93Å; V91-I119 HydrophobicContact CG2-CG1 4.3Å; V91-I119 HydrophobicContact CG2-CG2 3.85Å; V91-N121 PolarHBondContact N-O 3.31Å; V91-V122 HydrophobicContact CB-CG2 4.33Å; V91-V122 CarbonylContact O-C 3.59Å; V91-V122 WeakPolarHBondContact O-CA 3.36Å; V91-I123 PolarHBondContact O-N 3.01Å; V91-R253 CarbonylContact C-O 3.56Å; V91-R253 WeakPolarHBondContact CA-O 3.27Å
92K98.6Very high95.6Very high8 Ų837.1 Ų37.14%0.03523%0.225CC..EExtended strand (participates in β ladder)trans-109.8119.6167-171.7167.6-176.5178.30109.1F94 I123 H189 H216 D218 C252 R253K92-F94 HydrophobicContact CB-CE2 4.3Å; K92-F94 HydrophobicContact CB-CZ 4.39Å; K92-F94 HydrophobicContact CD-CE1 3.83Å; K92-F94 HydrophobicContact CD-CE2 4.26Å; K92-F94 HydrophobicContact CD-CZ 3.52Å; K92-F94 VanDerWaalsContact CE-CE1 3.46Å; K92-F94 HydrophobicContact CG-CE1 4.07Å; K92-F94 HydrophobicContact CG-CE2 3.97Å; K92-F94 HydrophobicContact CG-CZ 3.71Å; K92-I123 CarbonylContact C-O 3.57Å; K92-I123 WeakPolarHBondContact CA-O 3.39Å; K92-I123 HydrophobicContact CB-CB 4.44Å; K92-I123 HydrophobicContact CD-CG2 4.34Å; K92-I123 HydrophobicContact CG-CB 4.16Å; K92-I123 HydrophobicContact CG-CG2 4.16Å; K92-H189 WeakPolarHBondContact CD-ND1 3.43Å; K92-H189 WeakPolarHBondContact CE-ND1 3.27Å; K92-H189 PolarHBondContact NZ-ND1 2.82Å; K92-H216 PolarHBondContact NZ-CD2 3.33Å; K92-H216 VanDerWaalsContact NZ-CD2 3.26Å; K92-H216 PolarHBondContact NZ-CE1 2.85Å; K92-H216 VanDerWaalsContact NZ-CE1 3.31Å; K92-H216 PolarHBondContact NZ-ND1 2.91Å; K92-H216 PolarHBondContact NZ-NE2 3.48Å; K92-H216 VanDerWaalsContact NZ-NE2 3.14Å; K92-D218 WeakPolarHBondContact CE-OD2 3.28Å; K92-D218 IonicContact NZ-OD2 3.98Å; K92-D218 PolarHBondContact NZ-OD2 2.86Å; K92-C252 WeakPolarHBondContact O-CA 3.49Å; K92-R253 PolarHBondContact N-O 2.93Å; K92-R253 PolarHBondContact O-N 2.94Å
93L98.6Very high96.2Very high1 Ų134.3 Ų34.31%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-105.3117.3-177.6-165.166.9000109.9L95 I103 C106 I123 A125 Y250 C252L93-L95 HydrophobicContact CD2-CD1 4.39Å; L93-L95 HydrophobicContact CD2-CD2 3.57Å; L93-L95 HydrophobicContact CD2-CG 4.01Å; L93-L95 HydrophobicContact CG-CD2 3.79Å; L93-L95 HydrophobicContact CG-CG 4.09Å; L93-I103 HydrophobicContact CD2-CB 4.1Å; L93-I103 HydrophobicContact CD2-CG1 3.64Å; L93-I103 HydrophobicContact CD2-CG2 4.38Å; L93-C106 HydrophobicContact CD1-CB 3.56Å; L93-C106 WeakPolarHBondContact CD1-SG 3.34Å; L93-C106 HydrophobicContact CD2-CB 4.48Å; L93-I123 PolarHBondContact N-O 2.79Å; L93-A125 PolarHBondContact O-N 2.82Å; L93-Y250 HydrophobicContact CD1-CD2 3.87Å; L93-Y250 HydrophobicContact CD1-CG 4.21Å; L93-C252 HydrophobicContact CD1-CB 3.86Å
94F98.4Very high96.6Very high14 Ų1435.4 Ų35.46%0.06120%0.199CC..EExtended strand (participates in β ladder)trans-100.7102.5175.3-52.7-87.8000108.2K92 A125 D218 F222 Y250 A251 R253K92-F94 HydrophobicContact CB-CE2 4.3Å; K92-F94 HydrophobicContact CB-CZ 4.39Å; K92-F94 HydrophobicContact CD-CE1 3.83Å; K92-F94 HydrophobicContact CD-CE2 4.26Å; K92-F94 HydrophobicContact CD-CZ 3.52Å; K92-F94 VanDerWaalsContact CE-CE1 3.46Å; K92-F94 HydrophobicContact CG-CE1 4.07Å; K92-F94 HydrophobicContact CG-CE2 3.97Å; K92-F94 HydrophobicContact CG-CZ 3.71Å; F94-A125 HydrophobicContact CD1-CB 3.77Å; F94-A125 HydrophobicContact CE1-CB 4.35Å; F94-D218 HydrophobicContact CE1-CB 3.85Å; F94-D218 HydrophobicContact CZ-CB 4.07Å; F94-F222 HydrophobicContact CB-CB 3.6Å; F94-F222 HydrophobicContact CB-CD1 4Å; F94-F222 HydrophobicContact CB-CG 4Å; F94-F222 HydrophobicContact CD1-CB 3.36Å; F94-F222 HydrophobicContact CD1-CD1 4.17Å; F94-F222 AromaticContact CD1-CD2 3.82Å; F94-F222 HydrophobicContact CD1-CD2 3.82Å; F94-F222 AromaticContact CD1-CG 3.53Å; F94-F222 HydrophobicContact CD1-CG 3.53Å; F94-F222 HydrophobicContact CD2-CB 4.18Å; F94-F222 AromaticContact CD2-CD1 3.41Å; F94-F222 HydrophobicContact CD2-CD1 3.41Å; F94-F222 VanDerWaalsContact CD2-CD1 3.41Å; F94-F222 HydrophobicContact CD2-CD2 4.13Å; F94-F222 AromaticContact CD2-CE1 3.69Å; F94-F222 HydrophobicContact CD2-CE1 3.69Å; F94-F222 HydrophobicContact CD2-CE2 4.36Å; F94-F222 AromaticContact CD2-CG 3.64Å; F94-F222 HydrophobicContact CD2-CG 3.64Å; F94-F222 HydrophobicContact CD2-CZ 4.17Å; F94-F222 HydrophobicContact CE1-CB 3.96Å; F94-F222 HydrophobicContact CE1-CD1 4.46Å; F94-F222 AromaticContact CE1-CD2 3.5Å; F94-F222 HydrophobicContact CE1-CD2 3.5Å; F94-F222 VanDerWaalsContact CE1-CD2 3.5Å; F94-F222 HydrophobicContact CE1-CE2 4.04Å; F94-F222 AromaticContact CE1-CG 3.73Å; F94-F222 HydrophobicContact CE1-CG 3.73Å; F94-F222 AromaticContact CE2-CD1 3.79Å; F94-F222 HydrophobicContact CE2-CD1 3.79Å; F94-F222 AromaticContact CE2-CD2 3.87Å; F94-F222 HydrophobicContact CE2-CD2 3.87Å; F94-F222 AromaticContact CE2-CE1 3.69Å; F94-F222 HydrophobicContact CE2-CE1 3.69Å; F94-F222 AromaticContact CE2-CE2 3.77Å; F94-F222 HydrophobicContact CE2-CE2 3.77Å; F94-F222 AromaticContact CE2-CG 3.87Å; F94-F222 HydrophobicContact CE2-CG 3.87Å; F94-F222 AromaticContact CE2-CZ 3.68Å; F94-F222 HydrophobicContact CE2-CZ 3.68Å; F94-F222 HydrophobicContact CG-CB 3.46Å; F94-F222 VanDerWaalsContact CG-CB 3.46Å; F94-F222 AromaticContact CG-CD1 3.61Å; F94-F222 HydrophobicContact CG-CD1 3.61Å; F94-F222 HydrophobicContact CG-CD2 4.09Å; F94-F222 HydrophobicContact CG-CE1 4.34Å; F94-F222 AromaticContact CG-CG 3.45Å; F94-F222 HydrophobicContact CG-CG 3.45Å; F94-F222 VanDerWaalsContact CG-CG 3.45Å; F94-F222 HydrophobicContact CZ-CD1 4.28Å; F94-F222 AromaticContact CZ-CD2 3.52Å; F94-F222 HydrophobicContact CZ-CD2 3.52Å; F94-F222 HydrophobicContact CZ-CE1 4.32Å; F94-F222 AromaticContact CZ-CE2 3.56Å; F94-F222 HydrophobicContact CZ-CE2 3.56Å; F94-F222 AromaticContact CZ-CG 3.89Å; F94-F222 HydrophobicContact CZ-CG 3.89Å; F94-F222 AromaticContact CZ-CZ 3.98Å; F94-F222 HydrophobicContact CZ-CZ 3.98Å; F94-Y250 CarbonylContact O-C 3.59Å; F94-Y250 VanDerWaalsContact O-CA 3.24Å; F94-Y250 WeakPolarHBondContact O-CA 3.38Å; F94-A251 WeakPolarHBondContact CA-O 3.45Å; F94-A251 HydrophobicContact CB-CB 4.45Å; F94-A251 WeakPolarHBondContact CB-O 3.35Å; F94-A251 WeakPolarHBondContact CD2-O 3.3Å; F94-A251 PolarHBondContact N-O 3.16Å; F94-A251 PolarHBondContact O-N 2.92Å; F94-R253 HydrophobicContact CE2-CB 4.36Å
95L98.3Very high96.8Very high9 Ų936.3 Ų36.35%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-90.2146.7-176.8-65.9176.8000111L93 E97 A102 I103 V124 A125 L126 P127L93-L95 HydrophobicContact CD2-CD1 4.39Å; L93-L95 HydrophobicContact CD2-CD2 3.57Å; L93-L95 HydrophobicContact CD2-CG 4.01Å; L93-L95 HydrophobicContact CG-CD2 3.79Å; L93-L95 HydrophobicContact CG-CG 4.09Å; L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 VanDerWaalsContact CB-O 3.26Å; L95-E97 WeakPolarHBondContact CB-O 3.41Å; L95-A102 HydrophobicContact CD2-CB 3.64Å; L95-I103 HydrophobicContact CD1-CD1 4.27Å; L95-I103 HydrophobicContact CD1-CG1 4.06Å; L95-V124 HydrophobicContact CD1-CG1 3.72Å; L95-V124 HydrophobicContact CG-CG1 4.37Å; L95-A125 PolarHBondContact N-O 2.9Å; L95-L126 HydrophobicContact CB-CD2 4.43Å; L95-L126 HydrophobicContact CD1-CD2 4.03Å; L95-P127 WeakPolarHBondContact O-CD 3.17Å
96S95.7Very high97.1Very high42 Ų4231.6 Ų31.629%0.29417%0.172SC..SBendtrans-78.5-19.316968.60000113P127 A248 V249S96-P127 WeakPolarHBondContact O-CG 3.45Å; S96-A248 WeakPolarHBondContact CB-O 3.5Å; S96-V249 WeakPolarHBondContact CB-O 3.36Å; S96-V249 PolarHBondContact N-O 2.85Å; S96-V249 PolarHBondContact OG-O 3.16Å; S96-V249 VanDerWaalsContact OG-O 3.06Å
97E95Very high97.3Very high100 Ų10028.9 Ų28.947%0.46716%0.155SC..SBendtrans-163.5165.5179.461.2-167.2-164.900109.4L95 D99L95-E97 VanDerWaalsContact C-N 3.31Å; L95-E97 VanDerWaalsContact CB-O 3.26Å; L95-E97 WeakPolarHBondContact CB-O 3.41Å; E97-D99 VanDerWaalsContact C-N 3.33Å; E97-D99 HydrophobicContact CG-CB 4.24Å; E97-D99 PolarHBondContact O-N 3.45Å
98A96.3Very high97.4Very high19 Ų1931.3 Ų31.316%0.15717%0.172CC..  trans-69.686177.300000111.3L126 Q142 Y145 I146A98-L126 HydrophobicContact CB-CD2 4.03Å; A98-Q142 HydrophobicContact CB-CB 3.93Å; A98-Q142 HydrophobicContact CB-CG 4.3Å; A98-Y145 HydrophobicContact CB-CD1 4.12Å; A98-Y145 WeakPolarHBondContact O-CD1 3.42Å; A98-Y145 WeakPolarHBondContact O-CE1 3.37Å; A98-I146 HydrophobicContact CB-CG2 3.95Å
99D97.3Very high97.3Very high30 Ų3029.2 Ų29.216%0.1616%0.162CC..  trans-121.4114.4-174.8179.310.2000112.3E97 N101 A102 I103E97-D99 VanDerWaalsContact C-N 3.33Å; E97-D99 HydrophobicContact CG-CB 4.24Å; E97-D99 PolarHBondContact O-N 3.45Å; D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 PolarHBondContact O-N 3.01Å; D99-N101 WeakPolarHBondContact OD1-CA 3.28Å; D99-N101 WeakPolarHBondContact OD1-CB 3.35Å; D99-N101 PolarHBondContact OD1-N 3.3Å; D99-A102 HydrophobicContact CB-CB 3.96Å; D99-A102 PolarHBondContact O-N 2.7Å; D99-A102 WeakPolarHBondContact OD2-CB 3.39Å; D99-A102 PolarHBondContact OD2-N 3.08Å; D99-I103 WeakPolarHBondContact O-CG1 3.36Å; D99-I103 PolarHBondContact O-N 3.39Å
100T98.2Very high97.2Very high33 Ų3329.2 Ų29.220%0.20216%0.162CC..Hα-helixtrans-67.2-30176.654.50000113.3I103 H104 I146 Y149T100-I103 PolarHBondContact O-N 3.04Å; T100-H104 PolarHBondContact O-N 2.81Å; T100-I146 HydrophobicContact CG2-CB 4.25Å; T100-I146 HydrophobicContact CG2-CG2 4.02Å; T100-Y149 HydrophobicContact CG2-CG 4.24Å
101N97.6Very high97.1Very high105 Ų10529 Ų2956%0.56116%0.159SC*.Hα-helixtrans-69.8-43.6178.7-64.1-42.1000110.5D99 I103 H104 E105D99-N101 VanDerWaalsContact C-N 3.32Å; D99-N101 PolarHBondContact O-N 3.01Å; D99-N101 WeakPolarHBondContact OD1-CA 3.28Å; D99-N101 WeakPolarHBondContact OD1-CB 3.35Å; D99-N101 PolarHBondContact OD1-N 3.3Å; N101-I103 VanDerWaalsContact C-N 3.28Å; N101-I103 PolarHBondContact O-N 3.28Å; N101-H104 WeakPolarHBondContact O-CB 3.48Å; N101-H104 PolarHBondContact O-N 2.8Å; N101-H104 VanDerWaalsContact O-N 3.15Å; N101-E105 WeakPolarHBondContact O-CB 3.47Å; N101-E105 WeakPolarHBondContact O-CG 3.43Å; N101-E105 PolarHBondContact O-N 2.88Å
102A97.9Very high96.8Very high2 Ų235 Ų352%0.01718%0.184CC..Hα-helixtrans-55.8-42.3172.200000112.3L95 D99 C106 V249 Y250L95-A102 HydrophobicContact CD2-CB 3.64Å; D99-A102 HydrophobicContact CB-CB 3.96Å; D99-A102 PolarHBondContact O-N 2.7Å; D99-A102 WeakPolarHBondContact OD2-CB 3.39Å; D99-A102 PolarHBondContact OD2-N 3.08Å; A102-C106 VanDerWaalsContact O-CB 3.24Å; A102-C106 WeakPolarHBondContact O-CB 3.2Å; A102-C106 PolarHBondContact O-N 3.07Å; A102-V249 HydrophobicContact CB-CG1 4Å; A102-Y250 HydrophobicContact CB-CD1 3.73Å; A102-Y250 HydrophobicContact CB-CE1 4.45Å; A102-Y250 HydrophobicContact CB-CG 4.44Å
103I98.6Very high96.4Very high0 Ų036.7 Ų36.70%019%0.192CC..Hα-helixtrans-61.8-50.6174.7-58.2166.7000110.3L93 L95 D99 T100 N101 E105 C106 I107 I146 Y149 L150 L153L93-I103 HydrophobicContact CD2-CB 4.1Å; L93-I103 HydrophobicContact CD2-CG1 3.64Å; L93-I103 HydrophobicContact CD2-CG2 4.38Å; L95-I103 HydrophobicContact CD1-CD1 4.27Å; L95-I103 HydrophobicContact CD1-CG1 4.06Å; D99-I103 WeakPolarHBondContact O-CG1 3.36Å; D99-I103 PolarHBondContact O-N 3.39Å; T100-I103 PolarHBondContact O-N 3.04Å; N101-I103 VanDerWaalsContact C-N 3.28Å; N101-I103 PolarHBondContact O-N 3.28Å; I103-E105 PolarHBondContact O-N 3.11Å; I103-C106 PolarHBondContact O-N 2.89Å; I103-I107 HydrophobicContact CG2-CG1 4.17Å; I103-I107 WeakPolarHBondContact O-CB 3.38Å; I103-I107 VanDerWaalsContact O-CG1 3.24Å; I103-I107 WeakPolarHBondContact O-CG1 3.42Å; I103-I107 PolarHBondContact O-N 3.45Å; I103-I146 HydrophobicContact CD1-CB 3.9Å; I103-I146 HydrophobicContact CD1-CD1 3.98Å; I103-I146 HydrophobicContact CD1-CG1 4.47Å; I103-I146 HydrophobicContact CD1-CG2 4.15Å; I103-Y149 HydrophobicContact CB-CD1 4.04Å; I103-Y149 HydrophobicContact CB-CE1 3.88Å; I103-Y149 HydrophobicContact CD1-CD1 4.48Å; I103-Y149 HydrophobicContact CG2-CD1 3.92Å; I103-Y149 HydrophobicContact CG2-CE1 3.69Å; I103-L150 HydrophobicContact CD1-CD2 4.26Å; I103-L150 HydrophobicContact CG2-CD2 4.02Å; I103-L153 HydrophobicContact CG2-CD1 4.09Å
104H98.1Very high96.1Very high93 Ų9337.3 Ų37.343%0.43120%0.196SC..Hα-helixtrans-56.4-50.4179.4171.2-98000112.3T100 N101 S108 Y149T100-H104 PolarHBondContact O-N 2.81Å; N101-H104 WeakPolarHBondContact O-CB 3.48Å; N101-H104 PolarHBondContact O-N 2.8Å; N101-H104 VanDerWaalsContact O-N 3.15Å; H104-S108 VanDerWaalsContact O-CB 3.27Å; H104-S108 WeakPolarHBondContact O-CB 3.24Å; H104-S108 PolarHBondContact O-N 2.66Å; H104-S108 PolarHBondContact O-OG 3.16Å; H104-Y149 VanDerWaalsContact CA-OH 3.23Å; H104-Y149 WeakPolarHBondContact CA-OH 3.36Å; H104-Y149 HydrophobicContact CB-CE1 4.02Å; H104-Y149 WeakPolarHBondContact CB-OH 3.32Å; H104-Y149 PolarHBondContact CD2-OH 3.41Å
105E96Very high95.8Very high59 Ų5944 Ų4428%0.27623%0.227SC..Hα-helixtrans-62.6-46.6-178-72.3-170.7170.700111.4R17 N101 I103 A109 Y250 H272R17-E105 IonicContact CZ-OE2 2.72Å; R17-E105 IonicContact NE-OE2 3.94Å; R17-E105 IonicContact NH2-OE1 2.75Å; R17-E105 PolarHBondContact NH2-OE1 3.44Å; R17-E105 VanDerWaalsContact NH2-OE1 3.13Å; R17-E105 IonicContact NH2-OE2 2.68Å; R17-E105 PolarHBondContact NH2-OE2 3.05Å; N101-E105 WeakPolarHBondContact O-CB 3.47Å; N101-E105 WeakPolarHBondContact O-CG 3.43Å; N101-E105 PolarHBondContact O-N 2.88Å; I103-E105 PolarHBondContact O-N 3.11Å; E105-A109 VanDerWaalsContact O-CB 3.27Å; E105-A109 WeakPolarHBondContact O-CB 3.32Å; E105-A109 PolarHBondContact O-N 3.27Å; E105-Y250 HydrophobicContact CB-CE1 4.47Å; E105-H272 IonicContact OE2-CE1 2.67Å; E105-H272 PolarHBondContact OE2-CE1 2.85Å; E105-H272 VanDerWaalsContact OE2-CE1 3.31Å; E105-H272 IonicContact OE2-ND1 3.68Å; E105-H272 PolarHBondContact OE2-ND1 3.07Å
106C97.4Very high95.6Very high0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-62.8-49.7178.8176.90000111.9L93 A102 I103 S108 A109 V110 Y250 C252L93-C106 HydrophobicContact CD1-CB 3.56Å; L93-C106 WeakPolarHBondContact CD1-SG 3.34Å; L93-C106 HydrophobicContact CD2-CB 4.48Å; A102-C106 VanDerWaalsContact O-CB 3.24Å; A102-C106 WeakPolarHBondContact O-CB 3.2Å; A102-C106 PolarHBondContact O-N 3.07Å; I103-C106 PolarHBondContact O-N 2.89Å; C106-S108 VanDerWaalsContact C-N 3.31Å; C106-S108 PolarHBondContact O-N 3.5Å; C106-A109 WeakPolarHBondContact O-CB 3.45Å; C106-A109 PolarHBondContact O-N 3.3Å; C106-A109 VanDerWaalsContact O-N 3.16Å; C106-V110 WeakPolarHBondContact O-CG2 3.48Å; C106-V110 PolarHBondContact O-N 3.5Å; C106-Y250 HydrophobicContact CB-CD2 4.16Å; C106-Y250 HydrophobicContact CB-CE2 3.76Å; C106-C252 WeakPolarHBondContact SG-CB 3.43Å; C106-C252 PolarHBondContact SG-SG 3.18Å
107I98.4Very high95.6Very high3 Ų349.6 Ų49.62%0.01525%0.247CC..Hα-helixtrans-61.7-43.7-178.2-68.1-61000110.4V91 I103 A109 V110 L111 I119 V122 L153 T158V91-I107 HydrophobicContact CG1-CD1 4.27Å; I103-I107 HydrophobicContact CG2-CG1 4.17Å; I103-I107 WeakPolarHBondContact O-CB 3.38Å; I103-I107 VanDerWaalsContact O-CG1 3.24Å; I103-I107 WeakPolarHBondContact O-CG1 3.42Å; I103-I107 PolarHBondContact O-N 3.45Å; I107-A109 VanDerWaalsContact C-N 3.32Å; I107-A109 PolarHBondContact O-N 3.5Å; I107-V110 PolarHBondContact O-N 2.97Å; I107-L111 HydrophobicContact CG2-CD1 3.9Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 WeakPolarHBondContact O-CD1 3.4Å; I107-L111 VanDerWaalsContact O-CG 3.24Å; I107-L111 WeakPolarHBondContact O-CG 3.27Å; I107-L111 PolarHBondContact O-N 3.11Å; I107-I119 HydrophobicContact CD1-CD1 3.82Å; I107-I119 HydrophobicContact CG2-CD1 4.07Å; I107-V122 HydrophobicContact CD1-CB 4.46Å; I107-V122 HydrophobicContact CD1-CG1 4.03Å; I107-V122 HydrophobicContact CD1-CG2 3.52Å; I107-L153 HydrophobicContact CG1-CD1 4.22Å; I107-L153 HydrophobicContact CG2-CD2 4.43Å; I107-T158 HydrophobicContact CG2-CG2 3.98Å
108S96.3Very high95.8Very high52 Ų5250.2 Ų50.236%0.36424%0.244SC..Hα-helixtrans-60.4-41.8174.9-59.90000112.2H104 C106 K112H104-S108 VanDerWaalsContact O-CB 3.27Å; H104-S108 WeakPolarHBondContact O-CB 3.24Å; H104-S108 PolarHBondContact O-N 2.66Å; H104-S108 PolarHBondContact O-OG 3.16Å; C106-S108 VanDerWaalsContact C-N 3.31Å; C106-S108 PolarHBondContact O-N 3.5Å; S108-K112 WeakPolarHBondContact O-CB 3.37Å; S108-K112 PolarHBondContact O-N 2.98Å; S108-K112 VanDerWaalsContact O-N 3.12Å
109A94Very high95.9Very high9 Ų949.3 Ų49.37%0.07424%0.237CC..Hα-helixtrans-62.7-42.1176.600000112Y19 E105 C106 I107 K112 E113 F270Y19-A109 HydrophobicContact CE1-CB 4.04Å; E105-A109 VanDerWaalsContact O-CB 3.27Å; E105-A109 WeakPolarHBondContact O-CB 3.32Å; E105-A109 PolarHBondContact O-N 3.27Å; C106-A109 WeakPolarHBondContact O-CB 3.45Å; C106-A109 PolarHBondContact O-N 3.3Å; C106-A109 VanDerWaalsContact O-N 3.16Å; I107-A109 VanDerWaalsContact C-N 3.32Å; I107-A109 PolarHBondContact O-N 3.5Å; A109-K112 PolarHBondContact O-N 3.41Å; A109-E113 WeakPolarHBondContact O-CB 3.42Å; A109-E113 PolarHBondContact O-N 3.19Å; A109-F270 VanDerWaalsContact C-CE2 3.5Å; A109-F270 HydrophobicContact CB-CD2 3.71Å; A109-F270 HydrophobicContact CB-CE2 3.66Å
110V95.4Very high95.9Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-69.4-44.2-178.2173.50000111V91 C106 I107 K112 E113 L114 I119 Y254 F270V91-V110 HydrophobicContact CG2-CB 4.27Å; V91-V110 HydrophobicContact CG2-CG1 3.74Å; V91-V110 HydrophobicContact CG2-CG2 4.06Å; C106-V110 WeakPolarHBondContact O-CG2 3.48Å; C106-V110 PolarHBondContact O-N 3.5Å; I107-V110 PolarHBondContact O-N 2.97Å; V110-K112 VanDerWaalsContact C-N 3.25Å; V110-K112 PolarHBondContact O-N 3.37Å; V110-E113 PolarHBondContact O-N 3.37Å; V110-L114 HydrophobicContact CG1-CD1 3.75Å; V110-L114 HydrophobicContact CG1-CG 4.24Å; V110-L114 WeakPolarHBondContact O-CB 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.26Å; V110-L114 PolarHBondContact O-N 2.9Å; V110-I119 HydrophobicContact CB-CD1 4.14Å; V110-I119 HydrophobicContact CG1-CD1 3.95Å; V110-I119 HydrophobicContact CG1-CG1 4.29Å; V110-Y254 HydrophobicContact CG1-CG 4.5Å; V110-Y254 HydrophobicContact CG2-CD1 4.39Å; V110-Y254 HydrophobicContact CG2-CG 4.48Å; V110-F270 HydrophobicContact CB-CE2 4.21Å; V110-F270 HydrophobicContact CG2-CD2 3.89Å; V110-F270 HydrophobicContact CG2-CE2 3.51Å; V110-F270 HydrophobicContact CG2-CZ 4.46Å
111L95.5Very high95.9Very high30 Ų3048.2 Ų48.216%0.15723%0.23CC..Hα-helixtrans-58.2-41.7176.1-66.1163.9000111.3I107 E115 V116 I119 T158I107-L111 HydrophobicContact CG2-CD1 3.9Å; I107-L111 HydrophobicContact CG2-CG 4.48Å; I107-L111 WeakPolarHBondContact O-CD1 3.4Å; I107-L111 VanDerWaalsContact O-CG 3.24Å; I107-L111 WeakPolarHBondContact O-CG 3.27Å; I107-L111 PolarHBondContact O-N 3.11Å; L111-E115 WeakPolarHBondContact O-CA 3.43Å; L111-E115 PolarHBondContact O-N 3.35Å; L111-V116 HydrophobicContact CD2-CG2 4.15Å; L111-V116 WeakPolarHBondContact CD2-O 3.49Å; L111-V116 PolarHBondContact O-N 3.15Å; L111-V116 VanDerWaalsContact O-N 3.11Å; L111-I119 HydrophobicContact CD2-CD1 4.05Å; L111-I119 HydrophobicContact CD2-CG1 3.94Å; L111-I119 HydrophobicContact CG-CD1 4.1Å; L111-T158 HydrophobicContact CD1-CG2 3.4Å; L111-T158 VanDerWaalsContact CD1-CG2 3.4Å; L111-T158 HydrophobicContact CD2-CG2 4.42Å; L111-T158 HydrophobicContact CG-CG2 4.48Å
112K92.5Very high95.9Very high126 Ų12643.2 Ų43.255%0.54820%0.203SC..Hα-helixtrans-68.3-46.2177.9-175.7-177.8178.8-173.90112.3E62 S108 A109 V110 E115E62-K112 IonicContact OE1-NZ 3.92Å; E62-K112 PolarHBondContact OE1-NZ 2.83Å; S108-K112 WeakPolarHBondContact O-CB 3.37Å; S108-K112 PolarHBondContact O-N 2.98Å; S108-K112 VanDerWaalsContact O-N 3.12Å; A109-K112 PolarHBondContact O-N 3.41Å; V110-K112 VanDerWaalsContact C-N 3.25Å; V110-K112 PolarHBondContact O-N 3.37Å; K112-E115 PolarHBondContact O-N 2.84Å
113E89.2Confident96Very high43 Ų4343.7 Ų43.720%0.20121%0.206CC..Hα-helixtrans-64.9-40.9-178.8-176.174.3-173.800112.2A109 V110 E115 F270A109-E113 WeakPolarHBondContact O-CB 3.42Å; A109-E113 PolarHBondContact O-N 3.19Å; V110-E113 PolarHBondContact O-N 3.37Å; E113-E115 VanDerWaalsContact C-N 3.33Å; E113-F270 HydrophobicContact CB-CE1 4.4Å; E113-F270 HydrophobicContact CB-CE2 4.34Å; E113-F270 HydrophobicContact CB-CZ 3.53Å; E113-F270 HydrophobicContact CG-CE1 4.11Å; E113-F270 HydrophobicContact CG-CZ 3.67Å
114L92Very high96Very high14 Ų1443.7 Ų43.77%0.07321%0.206CC..Hα-helixtrans-87.3-5.2-179.2-61.4-176.3000113.2L80 I89 V110 V116 Y254 V256 L266L80-L114 HydrophobicContact CD1-CB 3.99Å; L80-L114 HydrophobicContact CD1-CD2 4.02Å; L80-L114 HydrophobicContact CD1-CG 4.45Å; I89-L114 HydrophobicContact CD1-CD1 4.26Å; I89-L114 HydrophobicContact CG2-CD1 3.67Å; V110-L114 HydrophobicContact CG1-CD1 3.75Å; V110-L114 HydrophobicContact CG1-CG 4.24Å; V110-L114 WeakPolarHBondContact O-CB 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.26Å; V110-L114 PolarHBondContact O-N 2.9Å; L114-V116 HydrophobicContact CB-CG1 4.26Å; L114-V116 HydrophobicContact CB-CG2 3.94Å; L114-V116 WeakPolarHBondContact O-CG1 3.26Å; L114-V116 PolarHBondContact O-N 3.29Å; L114-Y254 HydrophobicContact CD1-CD2 4.14Å; L114-Y254 HydrophobicContact CD2-CD2 3.91Å; L114-Y254 HydrophobicContact CD2-CE2 3.83Å; L114-Y254 HydrophobicContact CG-CD2 4.27Å; L114-Y254 HydrophobicContact CG-CE2 4.5Å; L114-V256 HydrophobicContact CD1-CG2 4.18Å; L114-V256 HydrophobicContact CD2-CG2 4.37Å; L114-L266 HydrophobicContact CD2-CD2 3.92Å
115E92.3Very high96Very high156 Ų15639.5 Ų39.573%0.72919%0.187SC*.THydrogen-bonded Turntrans50.941.4-174.6-59.7-175.6-179.200113L111 K112 E113L111-E115 WeakPolarHBondContact O-CA 3.43Å; L111-E115 PolarHBondContact O-N 3.35Å; K112-E115 PolarHBondContact O-N 2.84Å; E113-E115 VanDerWaalsContact C-N 3.33Å
116V95Very high96Very high9 Ų937 Ų376%0.05518%0.175CC..  trans-117.3155.1179.6-61.80000111.9L80 E81 I89 L111 L114L80-V116 HydrophobicContact CB-CG1 3.6Å; L80-V116 HydrophobicContact CD1-CG1 4.47Å; E81-V116 WeakPolarHBondContact OE2-CA 3.35Å; I89-V116 HydrophobicContact CD1-CB 4.18Å; I89-V116 HydrophobicContact CD1-CG1 3.72Å; I89-V116 HydrophobicContact CD1-CG2 3.81Å; L111-V116 HydrophobicContact CD2-CG2 4.15Å; L111-V116 WeakPolarHBondContact CD2-O 3.49Å; L111-V116 PolarHBondContact O-N 3.15Å; L111-V116 VanDerWaalsContact O-N 3.11Å; L114-V116 HydrophobicContact CB-CG1 4.26Å; L114-V116 HydrophobicContact CB-CG2 3.94Å; L114-V116 WeakPolarHBondContact O-CG1 3.26Å; L114-V116 PolarHBondContact O-N 3.29Å
117K96Very high95.8Very high159 Ų15938.2 Ų38.269%0.69118%0.183SC*.SBendtrans-90.5-17.8178.8-64.1177.6-169.31560114.1E81E81-K117 WeakPolarHBondContact OE1-CD 3.34Å; E81-K117 IonicContact OE1-NZ 3.31Å; E81-K117 PolarHBondContact OE2-N 3.36Å
118R97.3Very high95.2Very high112 Ų11240.5 Ų40.542%0.42320%0.198SC..  trans-143.3138.1-174179.5-179-72.4-172.6-2.4111.7G157 T158R118-G157 PolarHBondContact NE-O 3.35Å; R118-G157 PolarHBondContact NH2-O 2.94Å; R118-T158 CarbonylContact C-O 3.58Å; R118-T158 VanDerWaalsContact CA-O 3.29Å; R118-T158 WeakPolarHBondContact CA-O 3.31Å
119I98.3Very high94.7Very high0 Ų040.6 Ų40.60%019%0.194CC..EExtended strand (participates in β ladder)trans-99.3139.4165.9-66.3157.6000108.4I89 V91 I107 V110 L111 N121 V122 T158 V159 K160I89-I119 HydrophobicContact CG2-CG1 4.26Å; I89-I119 HydrophobicContact CG2-CG2 4.36Å; V91-I119 HydrophobicContact CB-CG2 4.28Å; V91-I119 HydrophobicContact CG2-CD1 3.93Å; V91-I119 HydrophobicContact CG2-CG1 4.3Å; V91-I119 HydrophobicContact CG2-CG2 3.85Å; I107-I119 HydrophobicContact CD1-CD1 3.82Å; I107-I119 HydrophobicContact CG2-CD1 4.07Å; V110-I119 HydrophobicContact CB-CD1 4.14Å; V110-I119 HydrophobicContact CG1-CD1 3.95Å; V110-I119 HydrophobicContact CG1-CG1 4.29Å; L111-I119 HydrophobicContact CD2-CD1 4.05Å; L111-I119 HydrophobicContact CD2-CG1 3.94Å; L111-I119 HydrophobicContact CG-CD1 4.1Å; I119-N121 WeakPolarHBondContact CG2-O 3.45Å; I119-V122 HydrophobicContact CB-CG2 4.45Å; I119-V122 HydrophobicContact CG2-CG2 3.75Å; I119-T158 PolarHBondContact N-O 3.07Å; I119-V159 CarbonylContact O-C 3.53Å; I119-V159 VanDerWaalsContact O-CA 3.3Å; I119-V159 WeakPolarHBondContact O-CA 3.35Å; I119-K160 PolarHBondContact O-N 3.4Å
120D98.2Very high93.6Very high18 Ų1849.6 Ų49.610%0.09624%0.235CC..EExtended strand (participates in β ladder)trans-81.8-41.2-176.6-55.9-79.8000112.4R84 I89 K160 E161R84-D120 IonicContact CZ-OD1 3.84Å; R84-D120 IonicContact CZ-OD2 3.36Å; R84-D120 IonicContact NE-OD1 3.17Å; R84-D120 IonicContact NE-OD2 4Å; R84-D120 PolarHBondContact NE-OD2 3.33Å; R84-D120 IonicContact NH1-OD2 3.6Å; R84-D120 IonicContact NH2-OD1 3.4Å; R84-D120 PolarHBondContact NH2-OD1 3.01Å; R84-D120 IonicContact NH2-OD2 3.07Å; R84-D120 PolarHBondContact NH2-OD2 2.79Å; I89-D120 PolarHBondContact N-OD2 3.08Å; I89-D120 WeakPolarHBondContact O-CB 3.44Å; I89-D120 PolarHBondContact O-N 2.86Å; D120-K160 WeakPolarHBondContact O-CB 3.38Å; D120-E161 PolarHBondContact O-N 2.86Å
121N98Very high92.2Very high22 Ų2252.1 Ų52.112%0.11826%0.261CS..EExtended strand (participates in β ladder)trans-138.2128.5-177.2-18037.6000110.8I89 S90 V91 I119 I123 E161I89-N121 PolarHBondContact O-N 2.91Å; S90-N121 CarbonylContact C-O 3.16Å; S90-N121 WeakPolarHBondContact CA-O 3.32Å; V91-N121 PolarHBondContact N-O 3.31Å; I119-N121 WeakPolarHBondContact CG2-O 3.45Å; N121-I123 WeakPolarHBondContact ND2-CD1 3.44Å; N121-I123 WeakPolarHBondContact ND2-CG1 3.4Å; N121-E161 WeakPolarHBondContact CA-O 3.43Å
122V98.8Very high90.4Very high0 Ų056.4 Ų56.40%029%0.291CS..EExtended strand (participates in β ladder)trans-118.2114.7172176.70000109.1V91 I107 I119 V124 V159 E161 V162 G163V91-V122 HydrophobicContact CB-CG2 4.33Å; V91-V122 CarbonylContact O-C 3.59Å; V91-V122 WeakPolarHBondContact O-CA 3.36Å; I107-V122 HydrophobicContact CD1-CB 4.46Å; I107-V122 HydrophobicContact CD1-CG1 4.03Å; I107-V122 HydrophobicContact CD1-CG2 3.52Å; I119-V122 HydrophobicContact CB-CG2 4.45Å; I119-V122 HydrophobicContact CG2-CG2 3.75Å; V122-V124 HydrophobicContact CG1-CG2 4.37Å; V122-V159 HydrophobicContact CB-CG1 4.12Å; V122-V159 HydrophobicContact CG2-CB 4.34Å; V122-V159 HydrophobicContact CG2-CG1 3.66Å; V122-V159 HydrophobicContact CG2-CG2 3.65Å; V122-E161 PolarHBondContact N-O 3.31Å; V122-V162 HydrophobicContact CB-CG1 4.43Å; V122-V162 CarbonylContact O-C 3.55Å; V122-V162 WeakPolarHBondContact O-CA 3.49Å; V122-G163 PolarHBondContact O-N 2.7Å
123I98.7Very high88.8Confident13 Ų1357.6 Ų57.67%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-102123.2175.8-60.3170.2000108.5V91 K92 L93 N121 G163 A165 V187 H189V91-I123 PolarHBondContact O-N 3.01Å; K92-I123 CarbonylContact C-O 3.57Å; K92-I123 WeakPolarHBondContact CA-O 3.39Å; K92-I123 HydrophobicContact CB-CB 4.44Å; K92-I123 HydrophobicContact CD-CG2 4.34Å; K92-I123 HydrophobicContact CG-CB 4.16Å; K92-I123 HydrophobicContact CG-CG2 4.16Å; L93-I123 PolarHBondContact N-O 2.79Å; N121-I123 WeakPolarHBondContact ND2-CD1 3.44Å; N121-I123 WeakPolarHBondContact ND2-CG1 3.4Å; I123-G163 WeakPolarHBondContact CA-O 3.46Å; I123-A165 HydrophobicContact CG2-CB 4.03Å; I123-V187 HydrophobicContact CD1-CG1 4.29Å; I123-H189 HydrophobicContact CD1-CB 4.16Å; I123-H189 HydrophobicContact CG2-CB 3.86Å
124V98.7Very high87.8Confident0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-100.6124.8174.8-179.90000110.6L95 V122 L126 F143 I146 L150 G163 V164 A165L95-V124 HydrophobicContact CD1-CG1 3.72Å; L95-V124 HydrophobicContact CG-CG1 4.37Å; V122-V124 HydrophobicContact CG1-CG2 4.37Å; V124-L126 HydrophobicContact CG1-CD2 4.37Å; V124-F143 HydrophobicContact CB-CE1 4.16Å; V124-F143 HydrophobicContact CG1-CE1 4.14Å; V124-I146 HydrophobicContact CG1-CD1 3.8Å; V124-L150 HydrophobicContact CG2-CD1 4.15Å; V124-L150 HydrophobicContact CG2-CD2 4.01Å; V124-G163 PolarHBondContact N-O 3.17Å; V124-V164 CarbonylContact O-C 3.57Å; V124-A165 PolarHBondContact O-N 3.49Å
125A97.7Very high86.7Confident4 Ų465 Ų653%0.03334%0.34CS..EExtended strand (participates in β ladder)trans-109.2114.1170.300000109L93 F94 L95 A165L93-A125 PolarHBondContact O-N 2.82Å; F94-A125 HydrophobicContact CD1-CB 3.77Å; F94-A125 HydrophobicContact CE1-CB 4.35Å; L95-A125 PolarHBondContact N-O 2.9Å; A125-A165 HydrophobicContact CB-CB 3.78Å
126L96.5Very high85.6Confident6 Ų661.2 Ų61.23%0.03134%0.335CS..PPolyproline II helixtrans-81.9159.5172.9-70.8-179.3000110.6L95 A98 V124 L139 Q142 F143 I146 H220L95-L126 HydrophobicContact CB-CD2 4.43Å; L95-L126 HydrophobicContact CD1-CD2 4.03Å; A98-L126 HydrophobicContact CB-CD2 4.03Å; V124-L126 HydrophobicContact CG1-CD2 4.37Å; L126-L139 HydrophobicContact CB-CD2 4.27Å; L126-Q142 HydrophobicContact CD1-CB 3.55Å; L126-F143 HydrophobicContact CB-CZ 4.49Å; L126-F143 HydrophobicContact CD1-CD1 4.14Å; L126-F143 HydrophobicContact CD1-CD2 3.73Å; L126-F143 HydrophobicContact CD1-CE1 4.07Å; L126-F143 HydrophobicContact CD1-CE2 3.64Å; L126-F143 HydrophobicContact CD1-CG 3.97Å; L126-F143 HydrophobicContact CD1-CZ 3.82Å; L126-F143 HydrophobicContact CG-CE1 4.13Å; L126-F143 HydrophobicContact CG-CE2 4.15Å; L126-F143 HydrophobicContact CG-CZ 3.87Å; L126-I146 HydrophobicContact CD2-CD1 4.34Å; L126-H220 PolarHBondContact O-CE1 3.15Å
127P92.7Very high84.8Confident27 Ų2765.4 Ų65.418%0.17536%0.357CS..PPolyproline II helixtrans-65.7160.5175.632.9-40.7000111.5L95 S96L95-P127 WeakPolarHBondContact O-CD 3.17Å; S96-P127 WeakPolarHBondContact O-CG 3.45Å
128P87.3Confident84.5Confident50 Ų5058.7 Ų58.733%0.32533%0.33SS..PPolyproline II helixtrans-61.9143.8169.49.6-8.6000110.7E130 H220 P221P128-E130 PolarHBondContact O-N 2.59Å; P128-H220 WeakPolarHBondContact CD-NE2 3.4Å; P128-P221 HydrophobicContact CG-CB 4.37Å; P128-P221 HydrophobicContact CG-CG 4.44Å
129L85Confident84.2Confident55 Ų5554.8 Ų54.829%0.28832%0.318SS..PPolyproline II helixtrans-68.2123.4175.4-59.7-175.7000110.4K133 D137 L139L129-K133 HydrophobicContact CD1-CG 4.43Å; L129-D137 WeakPolarHBondContact CD2-O 3.09Å; L129-L139 HydrophobicContact CD1-CG 4.05Å; L129-L139 HydrophobicContact CD2-CD2 3.96Å; L129-L139 HydrophobicContact CD2-CG 4.16Å; L129-L139 HydrophobicContact CG-CD2 4.16Å; L129-L139 HydrophobicContact CG-CG 3.99Å
130E69.8Low84Confident197 Ų19754.9 Ų54.992%0.92132%0.318SS*.  trans-94.4110.2171.8-63.9-168.8169.800109.9P128P128-E130 PolarHBondContact O-N 2.59Å
131G66.7Low83.8Confident54 Ų5456.1 Ų56.156%0.55733%0.328SS*.SBendtrans108.6-179.6172.400000115.5K133G131-K133 PolarHBondContact O-N 2.89Å
132P58.1Low83.7Confident120 Ų12056.9 Ų56.978%0.77933%0.331SS*.SBendtrans-65.2127.1-177.424.7-30.2000110.2T134P132-T134 PolarHBondContact O-N 2.82Å
133K59.6Low83.7Confident150 Ų15056.9 Ų56.965%0.65233%0.331SS*.  trans-53.7102.1177.4-64-171.2176.5-162.10109.8L129 G131 D171L129-K133 HydrophobicContact CD1-CG 4.43Å; G131-K133 PolarHBondContact O-N 2.89Å; K133-D171 IonicContact NZ-OD1 2.64Å
134T68.3Low83.6Confident67 Ų6758.8 Ų58.841%0.41134%0.341SS..  trans-86.3151.2155.478.40000107.3P132 A136 D137 S138P132-T134 PolarHBondContact O-N 2.82Å; T134-A136 PolarHBondContact O-N 2.83Å; T134-D137 PolarHBondContact O-N 2.82Å; T134-D137 VanDerWaalsContact O-N 3.12Å; T134-D137 PolarHBondContact OG1-N 3.25Å; T134-D137 PolarHBondContact OG1-OD2 3.38Å; T134-S138 PolarHBondContact O-N 3.46Å
135D67.9Low83.5Confident147 Ų14765.9 Ų65.979%0.78637%0.369SS*.G310 helixtrans-58.9-32.9179.9-65.5-28.6000111.8D137 S138 S141D135-D137 VanDerWaalsContact C-N 3.33Å; D135-D137 PolarHBondContact O-N 3.11Å; D135-S138 WeakPolarHBondContact O-CB 3.37Å; D135-S138 PolarHBondContact O-N 3.02Å; D135-S138 PolarHBondContact O-OG 3.36Å; D135-S138 VanDerWaalsContact O-OG 3.12Å; D135-S141 PolarHBondContact O-OG 3.33Å
136A69.2Low83.5Confident76 Ų7665.7 Ų65.763%0.62837%0.367SS*.G310 helixtrans-66.1-33.2178.700000113.1T134 S141T134-A136 PolarHBondContact O-N 2.83Å; A136-S141 WeakPolarHBondContact O-CB 3.35Å
137D78Confident83.6Confident96 Ų9665.5 Ų65.551%0.51337%0.366SS..G310 helixtrans-97.98.1-177.7-57-45.8000112.8L129 T134 D135 Q142L129-D137 WeakPolarHBondContact CD2-O 3.09Å; T134-D137 PolarHBondContact O-N 2.82Å; T134-D137 VanDerWaalsContact O-N 3.12Å; T134-D137 PolarHBondContact OG1-N 3.25Å; T134-D137 PolarHBondContact OG1-OD2 3.38Å; D135-D137 VanDerWaalsContact C-N 3.33Å; D135-D137 PolarHBondContact O-N 3.11Å; D137-Q142 PolarHBondContact O-NE2 2.89Å
138S89.5Confident83.9Confident19 Ų1968.3 Ų68.313%0.13338%0.384CS..SBendtrans-62.8154.7178.975.80000112.1T134 D135 T140 S141 Q142T134-S138 PolarHBondContact O-N 3.46Å; D135-S138 WeakPolarHBondContact O-CB 3.37Å; D135-S138 PolarHBondContact O-N 3.02Å; D135-S138 PolarHBondContact O-OG 3.36Å; D135-S138 VanDerWaalsContact O-OG 3.12Å; S138-T140 PolarHBondContact O-N 2.95Å; S138-S141 PolarHBondContact O-N 3.49Å; S138-S141 WeakPolarHBondContact OG-CB 3.48Å; S138-S141 PolarHBondContact OG-N 3.47Å; S138-S141 PolarHBondContact OG-OG 3.04Å; S138-Q142 PolarHBondContact O-N 2.99Å; S138-Q142 VanDerWaalsContact O-N 3.08Å
139L91.8Very high84.5Confident30 Ų3068.5 Ų68.516%0.15738%0.379CS..Hα-helixtrans-58.1-39.4173-74.9173.3000110.8L126 L129 Q142 F143L126-L139 HydrophobicContact CB-CD2 4.27Å; L129-L139 HydrophobicContact CD1-CG 4.05Å; L129-L139 HydrophobicContact CD2-CD2 3.96Å; L129-L139 HydrophobicContact CD2-CG 4.16Å; L129-L139 HydrophobicContact CG-CD2 4.16Å; L129-L139 HydrophobicContact CG-CG 3.99Å; L139-Q142 PolarHBondContact O-N 3.35Å; L139-F143 VanDerWaalsContact O-CD2 3.24Å; L139-F143 WeakPolarHBondContact O-CD2 3.29Å; L139-F143 PolarHBondContact O-N 3.34Å
140T93.9Very high85.1Confident2 Ų265.9 Ų65.91%0.01237%0.365CS..Hα-helixtrans-56.8-52.4175-530000111.2S138 Q142 F143 L144 D171 D174 L175S138-T140 PolarHBondContact O-N 2.95Å; T140-Q142 VanDerWaalsContact C-N 3.29Å; T140-Q142 PolarHBondContact O-N 2.9Å; T140-F143 PolarHBondContact O-N 2.92Å; T140-F143 VanDerWaalsContact O-N 3.16Å; T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.16Å; T140-L144 WeakPolarHBondContact O-CB 3.27Å; T140-L144 VanDerWaalsContact O-CG 3.32Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.44Å; T140-D171 PolarHBondContact OG1-O 2.79Å; T140-D174 VanDerWaalsContact CB-OD2 3.24Å; T140-D174 WeakPolarHBondContact CB-OD2 3.32Å; T140-D174 HydrophobicContact CG2-CB 4.42Å; T140-D174 VanDerWaalsContact CG2-OD2 3.23Å; T140-D174 WeakPolarHBondContact CG2-OD2 3.41Å; T140-D174 PolarHBondContact OG1-OD2 3.15Å; T140-L175 HydrophobicContact CG2-CB 4.11Å; T140-L175 HydrophobicContact CG2-CD1 4.34Å
141S94Very high86.5Confident43 Ų4358.4 Ų58.430%0.30133%0.33SS..Hα-helixtrans-58.8-40.6-179.2-65.90000112.1D135 A136 S138 L144 Y145D135-S141 PolarHBondContact O-OG 3.33Å; A136-S141 WeakPolarHBondContact O-CB 3.35Å; S138-S141 PolarHBondContact O-N 3.49Å; S138-S141 WeakPolarHBondContact OG-CB 3.48Å; S138-S141 PolarHBondContact OG-N 3.47Å; S138-S141 PolarHBondContact OG-OG 3.04Å; S141-L144 PolarHBondContact O-N 3.16Å; S141-Y145 PolarHBondContact O-N 3.3Å
142Q95.7Very high88Confident38 Ų3858.3 Ų58.318%0.17832%0.321CS..Hα-helixtrans-67-41.2176.2-71.1-1755400112.9A98 L126 D137 S138 L139 T140 Y145 I146A98-Q142 HydrophobicContact CB-CB 3.93Å; A98-Q142 HydrophobicContact CB-CG 4.3Å; L126-Q142 HydrophobicContact CD1-CB 3.55Å; D137-Q142 PolarHBondContact O-NE2 2.89Å; S138-Q142 PolarHBondContact O-N 2.99Å; S138-Q142 VanDerWaalsContact O-N 3.08Å; L139-Q142 PolarHBondContact O-N 3.35Å; T140-Q142 VanDerWaalsContact C-N 3.29Å; T140-Q142 PolarHBondContact O-N 2.9Å; Q142-Y145 WeakPolarHBondContact O-CB 3.25Å; Q142-Y145 PolarHBondContact O-N 3Å; Q142-I146 PolarHBondContact O-N 2.93Å
143F97.9Very high89.9Confident1 Ų153 Ų530%0.00429%0.286CS..Hα-helixtrans-64.3-43.7172.9-85-67.3000111.5V124 L126 L139 T140 Y145 I146 W147 V164 L167 L175V124-F143 HydrophobicContact CB-CE1 4.16Å; V124-F143 HydrophobicContact CG1-CE1 4.14Å; L126-F143 HydrophobicContact CB-CZ 4.49Å; L126-F143 HydrophobicContact CD1-CD1 4.14Å; L126-F143 HydrophobicContact CD1-CD2 3.73Å; L126-F143 HydrophobicContact CD1-CE1 4.07Å; L126-F143 HydrophobicContact CD1-CE2 3.64Å; L126-F143 HydrophobicContact CD1-CG 3.97Å; L126-F143 HydrophobicContact CD1-CZ 3.82Å; L126-F143 HydrophobicContact CG-CE1 4.13Å; L126-F143 HydrophobicContact CG-CE2 4.15Å; L126-F143 HydrophobicContact CG-CZ 3.87Å; L139-F143 VanDerWaalsContact O-CD2 3.24Å; L139-F143 WeakPolarHBondContact O-CD2 3.29Å; L139-F143 PolarHBondContact O-N 3.34Å; T140-F143 PolarHBondContact O-N 2.92Å; T140-F143 VanDerWaalsContact O-N 3.16Å; F143-Y145 PolarHBondContact O-N 3.03Å; F143-I146 HydrophobicContact CD1-CD1 4.06Å; F143-I146 HydrophobicContact CD1-CG1 4.48Å; F143-I146 HydrophobicContact CE1-CD1 4.42Å; F143-I146 VanDerWaalsContact O-CG1 3.28Å; F143-I146 WeakPolarHBondContact O-CG1 3.41Å; F143-I146 PolarHBondContact O-N 3.26Å; F143-I146 VanDerWaalsContact O-N 3.14Å; F143-W147 HydrophobicContact CD1-CE3 4.35Å; F143-W147 HydrophobicContact CD1-CZ3 4.21Å; F143-W147 VanDerWaalsContact O-CB 3.31Å; F143-W147 WeakPolarHBondContact O-CB 3.46Å; F143-W147 PolarHBondContact O-N 3.42Å; F143-V164 HydrophobicContact CD1-CG1 3.83Å; F143-V164 HydrophobicContact CE1-CB 4.04Å; F143-V164 HydrophobicContact CE1-CG1 3.53Å; F143-V164 HydrophobicContact CG-CG1 4.45Å; F143-V164 HydrophobicContact CZ-CB 3.95Å; F143-V164 HydrophobicContact CZ-CG1 3.92Å; F143-L167 HydrophobicContact CD2-CD1 4.28Å; F143-L167 HydrophobicContact CD2-CD2 3.97Å; F143-L167 HydrophobicContact CE2-CD1 3.55Å; F143-L167 HydrophobicContact CE2-CD2 3.97Å; F143-L167 HydrophobicContact CE2-CG 4.04Å; F143-L167 HydrophobicContact CZ-CD1 3.92Å; F143-L175 HydrophobicContact CB-CD1 3.77Å; F143-L175 HydrophobicContact CB-CD2 3.96Å; F143-L175 HydrophobicContact CD2-CD2 4.32Å; F143-L175 HydrophobicContact CG-CD2 4.09Å
144L97.2Very high91.8Very high52 Ų5247.7 Ų47.727%0.27226%0.264SS..Hα-helixtrans-60.7-31.2176.9-71.1175.7000112.6T140 S141 P148 L175 H178 L179T140-L144 HydrophobicContact CG2-CD1 3.85Å; T140-L144 HydrophobicContact CG2-CG 4.16Å; T140-L144 WeakPolarHBondContact O-CB 3.27Å; T140-L144 VanDerWaalsContact O-CG 3.32Å; T140-L144 WeakPolarHBondContact O-CG 3.48Å; T140-L144 PolarHBondContact O-N 3.44Å; S141-L144 PolarHBondContact O-N 3.16Å; L144-P148 VanDerWaalsContact O-CD 3.3Å; L144-P148 WeakPolarHBondContact O-CD 3.42Å; L144-L175 HydrophobicContact CD2-CD1 3.9Å; L144-L175 HydrophobicContact CG-CD1 4.09Å; L144-H178 HydrophobicContact CD1-CB 3.85Å; L144-H178 HydrophobicContact CD2-CB 3.69Å; L144-H178 HydrophobicContact CG-CB 4.36Å; L144-L179 HydrophobicContact CD2-CD2 3.88Å; L144-L179 HydrophobicContact CD2-CG 4.34Å
145Y97.2Very high93.2Very high149 Ų14950 Ų5058%0.58428%0.279SS*.Hα-helixtrans-63.6-45.4173.7176.7-107.2000112.5A98 S141 Q142 F143A98-Y145 HydrophobicContact CB-CD1 4.12Å; A98-Y145 WeakPolarHBondContact O-CD1 3.42Å; A98-Y145 WeakPolarHBondContact O-CE1 3.37Å; S141-Y145 PolarHBondContact O-N 3.3Å; Q142-Y145 WeakPolarHBondContact O-CB 3.25Å; Q142-Y145 PolarHBondContact O-N 3Å; F143-Y145 PolarHBondContact O-N 3.03Å
146I98.3Very high94.6Very high0 Ų046.5 Ų46.50%027%0.27CS..Hα-helixtrans-87.6-17.1-178.261.9172.1000114A98 T100 I103 V124 L126 Q142 F143 Y149 L150A98-I146 HydrophobicContact CB-CG2 3.95Å; T100-I146 HydrophobicContact CG2-CB 4.25Å; T100-I146 HydrophobicContact CG2-CG2 4.02Å; I103-I146 HydrophobicContact CD1-CB 3.9Å; I103-I146 HydrophobicContact CD1-CD1 3.98Å; I103-I146 HydrophobicContact CD1-CG1 4.47Å; I103-I146 HydrophobicContact CD1-CG2 4.15Å; V124-I146 HydrophobicContact CG1-CD1 3.8Å; L126-I146 HydrophobicContact CD2-CD1 4.34Å; Q142-I146 PolarHBondContact O-N 2.93Å; F143-I146 HydrophobicContact CD1-CD1 4.06Å; F143-I146 HydrophobicContact CD1-CG1 4.48Å; F143-I146 HydrophobicContact CE1-CD1 4.42Å; F143-I146 VanDerWaalsContact O-CG1 3.28Å; F143-I146 WeakPolarHBondContact O-CG1 3.41Å; F143-I146 PolarHBondContact O-N 3.26Å; F143-I146 VanDerWaalsContact O-N 3.14Å; I146-Y149 WeakPolarHBondContact O-CB 3.36Å; I146-Y149 PolarHBondContact O-N 3.15Å; I146-Y149 VanDerWaalsContact O-N 3.12Å; I146-L150 HydrophobicContact CD1-CD1 4.22Å; I146-L150 HydrophobicContact CG1-CD1 4.3Å; I146-L150 PolarHBondContact O-N 3.43Å
147W98.7Very high96Very high3 Ų343.9 Ų43.91%0.01125%0.25CS..Hα-helixtrans-59.8-43.5-170.6-152-96000114.9F143 Y149 L150 E151 V162 V164 L175 L179 V183 P185F143-W147 HydrophobicContact CD1-CE3 4.35Å; F143-W147 HydrophobicContact CD1-CZ3 4.21Å; F143-W147 VanDerWaalsContact O-CB 3.31Å; F143-W147 WeakPolarHBondContact O-CB 3.46Å; F143-W147 PolarHBondContact O-N 3.42Å; W147-Y149 PolarHBondContact O-N 3.43Å; W147-Y149 VanDerWaalsContact O-N 3.14Å; W147-L150 HydrophobicContact CD2-CD1 4.4Å; W147-L150 HydrophobicContact CE3-CD1 3.78Å; W147-L150 HydrophobicContact CZ3-CD1 3.9Å; W147-L150 WeakPolarHBondContact O-CA 3.23Å; W147-L150 WeakPolarHBondContact O-CB 3.24Å; W147-L150 PolarHBondContact O-N 3.13Å; W147-E151 PolarHBondContact O-N 2.86Å; W147-V162 HydrophobicContact CH2-CG2 3.97Å; W147-V162 HydrophobicContact CZ2-CG2 3.8Å; W147-V164 HydrophobicContact CH2-CG1 3.89Å; W147-V164 HydrophobicContact CZ3-CG1 3.55Å; W147-L175 HydrophobicContact CZ3-CD2 4.47Å; W147-L179 HydrophobicContact CB-CD2 4.25Å; W147-L179 HydrophobicContact CD2-CD1 3.75Å; W147-L179 HydrophobicContact CD2-CD2 4.17Å; W147-L179 HydrophobicContact CE3-CD1 4.38Å; W147-L179 HydrophobicContact CG-CD1 4.13Å; W147-L179 HydrophobicContact CG-CD2 3.62Å; W147-L179 HydrophobicContact CH2-CD1 4.39Å; W147-L179 HydrophobicContact CZ2-CD1 3.72Å; W147-V183 PolarHBondContact NE1-O 3.12Å; W147-P185 HydrophobicContact CH2-CB 3.75Å; W147-P185 HydrophobicContact CH2-CG 4.1Å; W147-P185 HydrophobicContact CZ2-CB 4.27Å; W147-P185 HydrophobicContact CZ2-CG 4.38Å
148P98.5Very high97Very high85 Ų8541 Ų4155%0.55224%0.236SC*.Hα-helixtrans-57-33.5178-26.535.9000112.4L144 S152L144-P148 VanDerWaalsContact O-CD 3.3Å; L144-P148 WeakPolarHBondContact O-CD 3.42Å; P148-S152 WeakPolarHBondContact O-CB 3.24Å; P148-S152 PolarHBondContact O-N 2.99Å
149Y98.7Very high97.4Very high54 Ų5440.1 Ų40.121%0.21223%0.23CC..Hα-helixtrans-70.7-44.1175.3-174.8-108.9000111.7T100 I103 H104 I146 W147 E151 S152 L153T100-Y149 HydrophobicContact CG2-CG 4.24Å; I103-Y149 HydrophobicContact CB-CD1 4.04Å; I103-Y149 HydrophobicContact CB-CE1 3.88Å; I103-Y149 HydrophobicContact CD1-CD1 4.48Å; I103-Y149 HydrophobicContact CG2-CD1 3.92Å; I103-Y149 HydrophobicContact CG2-CE1 3.69Å; H104-Y149 VanDerWaalsContact CA-OH 3.23Å; H104-Y149 WeakPolarHBondContact CA-OH 3.36Å; H104-Y149 HydrophobicContact CB-CE1 4.02Å; H104-Y149 WeakPolarHBondContact CB-OH 3.32Å; H104-Y149 PolarHBondContact CD2-OH 3.41Å; I146-Y149 WeakPolarHBondContact O-CB 3.36Å; I146-Y149 PolarHBondContact O-N 3.15Å; I146-Y149 VanDerWaalsContact O-N 3.12Å; W147-Y149 PolarHBondContact O-N 3.43Å; W147-Y149 VanDerWaalsContact O-N 3.14Å; Y149-E151 VanDerWaalsContact C-N 3.34Å; Y149-E151 PolarHBondContact O-N 3.31Å; Y149-S152 WeakPolarHBondContact O-CB 3.2Å; Y149-S152 PolarHBondContact O-N 3.01Å; Y149-S152 VanDerWaalsContact O-N 3.14Å; Y149-S152 PolarHBondContact O-OG 3.27Å; Y149-L153 HydrophobicContact CD1-CD1 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.99Å; Y149-L153 HydrophobicContact CE1-CD2 4.41Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 PolarHBondContact O-N 3.04Å; Y149-L153 VanDerWaalsContact O-N 3.15Å
150L98.7Very high97.7Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-58.8-43.6174.3-68.2174.1000112.2I103 V124 I146 W147 S152 L153 I154 V162I103-L150 HydrophobicContact CD1-CD2 4.26Å; I103-L150 HydrophobicContact CG2-CD2 4.02Å; V124-L150 HydrophobicContact CG2-CD1 4.15Å; V124-L150 HydrophobicContact CG2-CD2 4.01Å; I146-L150 HydrophobicContact CD1-CD1 4.22Å; I146-L150 HydrophobicContact CG1-CD1 4.3Å; I146-L150 PolarHBondContact O-N 3.43Å; W147-L150 HydrophobicContact CD2-CD1 4.4Å; W147-L150 HydrophobicContact CE3-CD1 3.78Å; W147-L150 HydrophobicContact CZ3-CD1 3.9Å; W147-L150 WeakPolarHBondContact O-CA 3.23Å; W147-L150 WeakPolarHBondContact O-CB 3.24Å; W147-L150 PolarHBondContact O-N 3.13Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.82Å; L150-L153 HydrophobicContact CD2-CD1 4.48Å; L150-L153 WeakPolarHBondContact O-CB 3.3Å; L150-L153 PolarHBondContact O-N 2.96Å; L150-I154 PolarHBondContact O-N 2.89Å; L150-V162 HydrophobicContact CB-CG1 4.21Å; L150-V162 HydrophobicContact CD2-CG1 4.33Å
151E98.5Very high97.9Very high40 Ų4046.7 Ų46.719%0.18726%0.258CS..Hα-helixtrans-64.4-34.9175.9-177165.1-145.700112W147 Y149 L153 I154 T155 H182 V183W147-E151 PolarHBondContact O-N 2.86Å; Y149-E151 VanDerWaalsContact C-N 3.34Å; Y149-E151 PolarHBondContact O-N 3.31Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.32Å; E151-I154 PolarHBondContact O-N 3.4Å; E151-T155 PolarHBondContact O-N 3.2Å; E151-T155 PolarHBondContact O-OG1 3.13Å; E151-H182 IonicContact OE1-ND1 3.4Å; E151-H182 IonicContact OE2-CG 2.75Å; E151-H182 IonicContact OE2-ND1 3.54Å; E151-H182 PolarHBondContact OE2-ND1 3.16Å; E151-V183 HydrophobicContact CG-CB 4.16Å; E151-V183 HydrophobicContact CG-CG2 3.89Å; E151-V183 WeakPolarHBondContact OE1-CG2 3.24Å; E151-V183 PolarHBondContact OE1-N 2.9Å
152S98.6Very high98.2Very high52 Ų5244.7 Ų44.736%0.36424%0.244SC..Hα-helixtrans-64.4-35174.684.20000112.9P148 Y149 L150 I154 T155 A156P148-S152 WeakPolarHBondContact O-CB 3.24Å; P148-S152 PolarHBondContact O-N 2.99Å; Y149-S152 WeakPolarHBondContact O-CB 3.2Å; Y149-S152 PolarHBondContact O-N 3.01Å; Y149-S152 VanDerWaalsContact O-N 3.14Å; Y149-S152 PolarHBondContact O-OG 3.27Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.82Å; S152-I154 VanDerWaalsContact C-N 3.3Å; S152-I154 PolarHBondContact O-N 3.4Å; S152-T155 PolarHBondContact O-N 3.4Å; S152-A156 VanDerWaalsContact O-CB 3.32Å; S152-A156 WeakPolarHBondContact O-CB 3.31Å; S152-A156 PolarHBondContact O-N 3.28Å
153L98.7Very high98.3Very high10 Ų1042.9 Ų42.95%0.05224%0.236CC..Hα-helixtrans-66-34.6176.2-66.5173.7000111.9I103 I107 Y149 L150 E151 G157 T158 V159I103-L153 HydrophobicContact CG2-CD1 4.09Å; I107-L153 HydrophobicContact CG1-CD1 4.22Å; I107-L153 HydrophobicContact CG2-CD2 4.43Å; Y149-L153 HydrophobicContact CD1-CD1 4.45Å; Y149-L153 HydrophobicContact CE1-CD1 3.99Å; Y149-L153 HydrophobicContact CE1-CD2 4.41Å; Y149-L153 HydrophobicContact CE1-CG 4.25Å; Y149-L153 PolarHBondContact O-N 3.04Å; Y149-L153 VanDerWaalsContact O-N 3.15Å; L150-L153 HydrophobicContact CD2-CD1 4.48Å; L150-L153 WeakPolarHBondContact O-CB 3.3Å; L150-L153 PolarHBondContact O-N 2.96Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.32Å; L153-G157 PolarHBondContact O-N 3.35Å; L153-T158 HydrophobicContact CD2-CG2 4.43Å; L153-T158 PolarHBondContact O-N 3.24Å; L153-V159 HydrophobicContact CB-CB 4.08Å; L153-V159 HydrophobicContact CB-CG2 3.85Å; L153-V159 HydrophobicContact CD1-CG2 4.2Å; L153-V159 PolarHBondContact O-N 2.93Å; L153-V159 VanDerWaalsContact O-N 3.11Å
154I98.5Very high98.3Very high37 Ų3742.8 Ų42.819%0.1924%0.235CC..Hα-helixtrans-71.2-46.3174.4-66.3176000110.7L150 E151 S152 A156 G157 V159 V162 V183L150-I154 PolarHBondContact O-N 2.89Å; E151-I154 PolarHBondContact O-N 3.4Å; S152-I154 VanDerWaalsContact C-N 3.3Å; S152-I154 PolarHBondContact O-N 3.4Å; I154-A156 VanDerWaalsContact C-N 3.26Å; I154-A156 PolarHBondContact O-N 2.88Å; I154-G157 WeakPolarHBondContact O-CA 3.37Å; I154-G157 PolarHBondContact O-N 3.37Å; I154-V159 WeakPolarHBondContact CA-O 3.44Å; I154-V159 HydrophobicContact CG1-CB 4.35Å; I154-V159 HydrophobicContact CG1-CG1 4.34Å; I154-V162 HydrophobicContact CD1-CB 4.22Å; I154-V162 HydrophobicContact CD1-CG1 3.78Å; I154-V162 HydrophobicContact CD1-CG2 3.74Å; I154-V162 HydrophobicContact CG1-CG1 4.17Å; I154-V183 HydrophobicContact CD1-CG1 3.63Å
155T98.1Very high98.3Very high117 Ų11740.6 Ų40.672%0.71823%0.225SC*.Hα-helixtrans-60.1-38178.2-57.90000111.8E151 S152 G157E151-T155 PolarHBondContact O-N 3.2Å; E151-T155 PolarHBondContact O-OG1 3.13Å; S152-T155 PolarHBondContact O-N 3.4Å; T155-G157 PolarHBondContact O-N 3.39Å
156A98.2Very high98.1Very high73 Ų7334.8 Ų34.860%0.60320%0.204SC*.THydrogen-bonded Turntrans-72-11.7174.700000113.7S152 I154 T158S152-A156 VanDerWaalsContact O-CB 3.32Å; S152-A156 WeakPolarHBondContact O-CB 3.31Å; S152-A156 PolarHBondContact O-N 3.28Å; I154-A156 VanDerWaalsContact C-N 3.26Å; I154-A156 PolarHBondContact O-N 2.88Å; A156-T158 PolarHBondContact O-N 2.82Å
157G98Very high97.9Very high21 Ų2134.8 Ų34.822%0.21620%0.204CC..THydrogen-bonded Turntrans75.79.5-177.200000114.5R118 L153 I154 T155R118-G157 PolarHBondContact NE-O 3.35Å; R118-G157 PolarHBondContact NH2-O 2.94Å; L153-G157 PolarHBondContact O-N 3.35Å; I154-G157 WeakPolarHBondContact O-CA 3.37Å; I154-G157 PolarHBondContact O-N 3.37Å; T155-G157 PolarHBondContact O-N 3.39Å
158T98.3Very high97.6Very high34 Ų3438.8 Ų38.821%0.20922%0.223CC..SBendtrans-74.4-34.1178.3-53.80000111.7I107 L111 R118 I119 L153 A156I107-T158 HydrophobicContact CG2-CG2 3.98Å; L111-T158 HydrophobicContact CD1-CG2 3.4Å; L111-T158 VanDerWaalsContact CD1-CG2 3.4Å; L111-T158 HydrophobicContact CD2-CG2 4.42Å; L111-T158 HydrophobicContact CG-CG2 4.48Å; R118-T158 CarbonylContact C-O 3.58Å; R118-T158 VanDerWaalsContact CA-O 3.29Å; R118-T158 WeakPolarHBondContact CA-O 3.31Å; I119-T158 PolarHBondContact N-O 3.07Å; L153-T158 HydrophobicContact CD2-CG2 4.43Å; L153-T158 PolarHBondContact O-N 3.24Å; A156-T158 PolarHBondContact O-N 2.82Å
159V98.7Very high97.3Very high1 Ų138.4 Ų38.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-123.5137.5175.6176.30000108.1I119 V122 L153 I154 E161 V162I119-V159 CarbonylContact O-C 3.53Å; I119-V159 VanDerWaalsContact O-CA 3.3Å; I119-V159 WeakPolarHBondContact O-CA 3.35Å; V122-V159 HydrophobicContact CB-CG1 4.12Å; V122-V159 HydrophobicContact CG2-CB 4.34Å; V122-V159 HydrophobicContact CG2-CG1 3.66Å; V122-V159 HydrophobicContact CG2-CG2 3.65Å; L153-V159 HydrophobicContact CB-CB 4.08Å; L153-V159 HydrophobicContact CB-CG2 3.85Å; L153-V159 HydrophobicContact CD1-CG2 4.2Å; L153-V159 PolarHBondContact O-N 2.93Å; L153-V159 VanDerWaalsContact O-N 3.11Å; I154-V159 WeakPolarHBondContact CA-O 3.44Å; I154-V159 HydrophobicContact CG1-CB 4.35Å; I154-V159 HydrophobicContact CG1-CG1 4.34Å; V159-E161 WeakPolarHBondContact CG1-O 3.49Å; V159-V162 HydrophobicContact CG1-CG1 3.9Å
160K98.4Very high97Very high101 Ų10139.6 Ų39.644%0.43923%0.225SC..EExtended strand (participates in β ladder)trans-80.9-50.2177.1-174.4-159.7178.1-131.50110.7I119 D120I119-K160 PolarHBondContact O-N 3.4Å; D120-K160 WeakPolarHBondContact O-CB 3.38Å
161E98.2Very high96.8Very high69 Ų6940.7 Ų40.732%0.32223%0.231SC..EExtended strand (participates in β ladder)trans-139.4147.9-176.1-70.7163.4-153.400110.4D120 N121 V122 V159 T186D120-E161 PolarHBondContact O-N 2.86Å; N121-E161 WeakPolarHBondContact CA-O 3.43Å; V122-E161 PolarHBondContact N-O 3.31Å; V159-E161 WeakPolarHBondContact CG1-O 3.49Å; E161-T186 HydrophobicContact CB-CG2 4.14Å; E161-T186 HydrophobicContact CG-CG2 4.01Å
162V98.7Very high96.7Very high1 Ų138.8 Ų38.81%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-117.2151.7174.2-65.90000110.1V122 W147 L150 I154 V159 V183 P185 T186V122-V162 HydrophobicContact CB-CG1 4.43Å; V122-V162 CarbonylContact O-C 3.55Å; V122-V162 WeakPolarHBondContact O-CA 3.49Å; W147-V162 HydrophobicContact CH2-CG2 3.97Å; W147-V162 HydrophobicContact CZ2-CG2 3.8Å; L150-V162 HydrophobicContact CB-CG1 4.21Å; L150-V162 HydrophobicContact CD2-CG1 4.33Å; I154-V162 HydrophobicContact CD1-CB 4.22Å; I154-V162 HydrophobicContact CD1-CG1 3.78Å; I154-V162 HydrophobicContact CD1-CG2 3.74Å; I154-V162 HydrophobicContact CG1-CG1 4.17Å; V159-V162 HydrophobicContact CG1-CG1 3.9Å; V162-V183 HydrophobicContact CG2-CG1 4.49Å; V162-P185 WeakPolarHBondContact O-CA 3.39Å; V162-T186 PolarHBondContact O-N 2.82Å; V162-T186 PolarHBondContact O-OG1 3.22Å; V162-T186 VanDerWaalsContact O-OG1 3.04Å
163G98.5Very high96.6Very high0 Ų037.5 Ų37.50%021%0.213CC..EExtended strand (participates in β ladder)trans-141.7170.6177.900000111.2V122 I123 V124 V187V122-G163 PolarHBondContact O-N 2.7Å; I123-G163 WeakPolarHBondContact CA-O 3.46Å; V124-G163 PolarHBondContact N-O 3.17Å; G163-V187 CarbonylContact C-O 3.59Å; G163-V187 WeakPolarHBondContact CA-O 3.27Å
164V98.3Very high96.6Very high0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-123.4163.5-178.7-66.30000109.4V124 F143 W147 L167 L172 L175 P185 V187 N188 H189V124-V164 CarbonylContact O-C 3.57Å; F143-V164 HydrophobicContact CD1-CG1 3.83Å; F143-V164 HydrophobicContact CE1-CB 4.04Å; F143-V164 HydrophobicContact CE1-CG1 3.53Å; F143-V164 HydrophobicContact CG-CG1 4.45Å; F143-V164 HydrophobicContact CZ-CB 3.95Å; F143-V164 HydrophobicContact CZ-CG1 3.92Å; W147-V164 HydrophobicContact CH2-CG1 3.89Å; W147-V164 HydrophobicContact CZ3-CG1 3.55Å; V164-L167 HydrophobicContact CB-CD1 3.35Å; V164-L167 HydrophobicContact CG1-CD1 4.21Å; V164-L167 HydrophobicContact CG2-CD1 3.35Å; V164-L172 HydrophobicContact CG2-CD1 4.2Å; V164-L175 HydrophobicContact CG1-CD2 4.17Å; V164-P185 HydrophobicContact CG1-CB 4.15Å; V164-P185 HydrophobicContact CG2-CB 4.01Å; V164-P185 HydrophobicContact CG2-CG 4.48Å; V164-V187 PolarHBondContact N-O 3.41Å; V164-N188 HydrophobicContact CG2-CB 4.15Å; V164-N188 CarbonylContact O-C 3.59Å; V164-N188 WeakPolarHBondContact O-CA 3.25Å; V164-H189 PolarHBondContact O-N 3.32Å
165A96.2Very high96.5Very high6 Ų638.2 Ų38.25%0.0522%0.217CC..EExtended strand (participates in β ladder)trans-123.9147.5174.600000111.6I123 V124 A125 L167 H189I123-A165 HydrophobicContact CG2-CB 4.03Å; V124-A165 PolarHBondContact O-N 3.49Å; A125-A165 HydrophobicContact CB-CB 3.78Å; A165-L167 VanDerWaalsContact C-N 3.27Å; A165-L167 VanDerWaalsContact O-CD1 3.31Å; A165-L167 WeakPolarHBondContact O-CD1 3.24Å; A165-L167 PolarHBondContact O-N 3.47Å; A165-H189 CarbonylContact C-O 3.45Å; A165-H189 WeakPolarHBondContact CA-O 3.38Å; A165-H189 HydrophobicContact CB-CB 4.14Å
166D93.4Very high96.5Very high27 Ų2733 Ų3314%0.14419%0.186CC..SBendtrans63.918166.9-59.2-32.3000116.9H189 N191 H216 H220D166-H189 PolarHBondContact N-O 2.93Å; D166-N191 WeakPolarHBondContact OD1-CB 3.38Å; D166-N191 PolarHBondContact OD1-N 3.35Å; D166-H216 IonicContact OD1-CE1 3.31Å; D166-H216 PolarHBondContact OD1-CE1 3.15Å; D166-H216 IonicContact OD1-NE2 2.75Å; D166-H216 PolarHBondContact OD1-NE2 3.16Å; D166-H216 IonicContact OD2-CE1 3.59Å; D166-H216 IonicContact OD2-NE2 3.65Å; D166-H220 IonicContact OD2-CE1 3.5Å; D166-H220 IonicContact OD2-CG 3.26Å; D166-H220 IonicContact OD2-ND1 2.79Å; D166-H220 PolarHBondContact OD2-ND1 3.36Å; D166-H220 VanDerWaalsContact OD2-ND1 3.15Å
167L93.6Very high96.5Very high0 Ų033 Ų330%018%0.181CC..  trans-78.8127.1172.9-65.896.5000111.3F143 V164 A165 D171 L172 L175 N188F143-L167 HydrophobicContact CD2-CD1 4.28Å; F143-L167 HydrophobicContact CD2-CD2 3.97Å; F143-L167 HydrophobicContact CE2-CD1 3.55Å; F143-L167 HydrophobicContact CE2-CD2 3.97Å; F143-L167 HydrophobicContact CE2-CG 4.04Å; F143-L167 HydrophobicContact CZ-CD1 3.92Å; V164-L167 HydrophobicContact CB-CD1 3.35Å; V164-L167 HydrophobicContact CG1-CD1 4.21Å; V164-L167 HydrophobicContact CG2-CD1 3.35Å; A165-L167 VanDerWaalsContact C-N 3.27Å; A165-L167 VanDerWaalsContact O-CD1 3.31Å; A165-L167 WeakPolarHBondContact O-CD1 3.24Å; A165-L167 PolarHBondContact O-N 3.47Å; L167-D171 HydrophobicContact CB-CB 4.32Å; L167-D171 HydrophobicContact CD2-CB 3.89Å; L167-D171 HydrophobicContact CG-CB 4.37Å; L167-L172 HydrophobicContact CB-CB 3.92Å; L167-L175 HydrophobicContact CD2-CD2 4.08Å; L167-N188 PolarHBondContact N-OD1 2.99Å; L167-N188 PolarHBondContact O-ND2 3.18Å
168Q92.3Very high96.5Very high87 Ų8736.8 Ų36.841%0.40719%0.193SC..  trans-79.4169.5167.9-60.5-55.1-57.200110.2D171 L172Q168-D171 PolarHBondContact O-N 3Å; Q168-D171 VanDerWaalsContact O-N 3.16Å; Q168-L172 WeakPolarHBondContact O-CB 2.95Å; Q168-L172 PolarHBondContact O-N 2.97Å
169Y93.2Very high96.5Very high76 Ų7635.5 Ų35.530%0.29818%0.184SC..Hα-helixtrans-48.5-48.2-178.4168.9-101.3000114D171 L172 S173 Q201 F205Y169-D171 PolarHBondContact O-N 2.95Å; Y169-L172 PolarHBondContact O-N 2.93Å; Y169-S173 WeakPolarHBondContact O-CB 3.35Å; Y169-S173 PolarHBondContact O-N 3.44Å; Y169-S173 PolarHBondContact O-OG 3.14Å; Y169-Q201 HydrophobicContact CD1-CB 4.2Å; Y169-Q201 HydrophobicContact CD2-CB 4.11Å; Y169-Q201 HydrophobicContact CE2-CB 4.49Å; Y169-Q201 HydrophobicContact CG-CB 3.95Å; Y169-F205 HydrophobicContact CD2-CB 3.78Å; Y169-F205 HydrophobicContact CD2-CD2 4.45Å; Y169-F205 HydrophobicContact CD2-CG 4.09Å; Y169-F205 HydrophobicContact CE2-CB 3.74Å; Y169-F205 AromaticContact CE2-CD2 3.8Å; Y169-F205 HydrophobicContact CE2-CD2 3.8Å; Y169-F205 AromaticContact CE2-CG 3.88Å; Y169-F205 HydrophobicContact CE2-CG 3.88Å
170P92.9Very high96.4Very high80 Ų8040.1 Ų40.152%0.51922%0.217SC..Hα-helixtrans-58.2-49.9179.6-24.835.6000112.5S173 D174P170-S173 PolarHBondContact O-OG 2.85Å; P170-S173 VanDerWaalsContact O-OG 3.07Å; P170-D174 WeakPolarHBondContact O-CB 3.43Å; P170-D174 PolarHBondContact O-N 2.78Å
171D93.9Very high96.3Very high22 Ų2239.3 Ų39.312%0.11824%0.237CC..Hα-helixtrans-70.9-39.7-176.2-45.1-76.1000111.6K133 T140 L167 Q168 Y169 L175K133-D171 IonicContact NZ-OD1 2.64Å; T140-D171 PolarHBondContact OG1-O 2.79Å; L167-D171 HydrophobicContact CB-CB 4.32Å; L167-D171 HydrophobicContact CD2-CB 3.89Å; L167-D171 HydrophobicContact CG-CB 4.37Å; Q168-D171 PolarHBondContact O-N 3Å; Q168-D171 VanDerWaalsContact O-N 3.16Å; Y169-D171 PolarHBondContact O-N 2.95Å; D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.48Å; D171-L175 PolarHBondContact O-N 3.22Å
172L96.3Very high96.3Very high0 Ų040.8 Ų40.80%024%0.244CC..Hα-helixtrans-67.3-43.5177.5-177.164.7000111.8V164 L167 Q168 Y169 L175 V176 P185 N188 L202 F205 I211V164-L172 HydrophobicContact CG2-CD1 4.2Å; L167-L172 HydrophobicContact CB-CB 3.92Å; Q168-L172 WeakPolarHBondContact O-CB 2.95Å; Q168-L172 PolarHBondContact O-N 2.97Å; Y169-L172 PolarHBondContact O-N 2.93Å; L172-L175 PolarHBondContact O-N 3Å; L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 WeakPolarHBondContact O-CB 3.49Å; L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.24Å; L172-V176 PolarHBondContact O-N 2.86Å; L172-P185 HydrophobicContact CD1-CG 4.38Å; L172-N188 HydrophobicContact CD2-CB 4.23Å; L172-L202 HydrophobicContact CB-CD1 4.5Å; L172-L202 HydrophobicContact CD2-CD1 3.62Å; L172-F205 HydrophobicContact CD2-CD1 4.08Å; L172-F205 HydrophobicContact CD2-CE1 4.34Å; L172-F205 HydrophobicContact CG-CD1 4.26Å; L172-F205 HydrophobicContact CG-CE1 4.08Å; L172-I211 HydrophobicContact CD1-CD1 4.21Å; L172-I211 HydrophobicContact CD2-CD1 4.32Å; L172-I211 HydrophobicContact CG-CD1 4.46Å
173S97.2Very high96.2Very high26 Ų2643 Ų4318%0.18226%0.257CS..Hα-helixtrans-66.5-40.8-179.7670000112.2Y169 P170 V176 S177 F205Y169-S173 WeakPolarHBondContact O-CB 3.35Å; Y169-S173 PolarHBondContact O-N 3.44Å; Y169-S173 PolarHBondContact O-OG 3.14Å; P170-S173 PolarHBondContact O-OG 2.85Å; P170-S173 VanDerWaalsContact O-OG 3.07Å; S173-V176 PolarHBondContact O-N 3.03Å; S173-S177 WeakPolarHBondContact O-CB 3.39Å; S173-S177 PolarHBondContact O-N 3.14Å; S173-F205 VanDerWaalsContact CA-CZ 3.45Å
174D97.3Very high96.2Very high61 Ų6145.5 Ų45.533%0.32627%0.27SS..Hα-helixtrans-64.1-47.1176-174.744.6000111.3T140 P170 V176 S177 H178T140-D174 VanDerWaalsContact CB-OD2 3.24Å; T140-D174 WeakPolarHBondContact CB-OD2 3.32Å; T140-D174 HydrophobicContact CG2-CB 4.42Å; T140-D174 VanDerWaalsContact CG2-OD2 3.23Å; T140-D174 WeakPolarHBondContact CG2-OD2 3.41Å; T140-D174 PolarHBondContact OG1-OD2 3.15Å; P170-D174 WeakPolarHBondContact O-CB 3.43Å; P170-D174 PolarHBondContact O-N 2.78Å; D174-V176 PolarHBondContact O-N 2.93Å; D174-S177 PolarHBondContact O-N 2.77Å; D174-S177 PolarHBondContact O-OG 3Å; D174-H178 PolarHBondContact O-N 3.44Å; D174-H178 VanDerWaalsContact O-N 3.15Å; D174-H178 PolarHBondContact O-ND1 2.79Å; D174-H178 IonicContact OD1-CE1 3.46Å; D174-H178 PolarHBondContact OD1-CE1 3.21Å; D174-H178 IonicContact OD1-ND1 3.93Å; D174-H178 PolarHBondContact OD1-ND1 2.98Å
175L97.9Very high96.2Very high0 Ų045.6 Ų45.60%027%0.271CS..Hα-helixtrans-57-52174.3178.461.5000112.1T140 F143 L144 W147 V164 L167 D171 L172 S177 H178 L179T140-L175 HydrophobicContact CG2-CB 4.11Å; T140-L175 HydrophobicContact CG2-CD1 4.34Å; F143-L175 HydrophobicContact CB-CD1 3.77Å; F143-L175 HydrophobicContact CB-CD2 3.96Å; F143-L175 HydrophobicContact CD2-CD2 4.32Å; F143-L175 HydrophobicContact CG-CD2 4.09Å; L144-L175 HydrophobicContact CD2-CD1 3.9Å; L144-L175 HydrophobicContact CG-CD1 4.09Å; W147-L175 HydrophobicContact CZ3-CD2 4.47Å; V164-L175 HydrophobicContact CG1-CD2 4.17Å; L167-L175 HydrophobicContact CD2-CD2 4.08Å; D171-L175 VanDerWaalsContact O-CB 3.31Å; D171-L175 WeakPolarHBondContact O-CB 3.48Å; D171-L175 PolarHBondContact O-N 3.22Å; L172-L175 PolarHBondContact O-N 3Å; L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 2.95Å; L175-H178 PolarHBondContact O-N 3.45Å; L175-H178 VanDerWaalsContact O-N 3.16Å; L175-L179 HydrophobicContact CD1-CD1 3.82Å; L175-L179 HydrophobicContact CD1-CG 4.07Å; L175-L179 HydrophobicContact CG-CD1 3.84Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.64Å
176V98.4Very high96.3Very high9 Ų947.1 Ų47.16%0.05528%0.28CS..Hα-helixtrans-62-34.9-1791680000111.8L172 S173 D174 L179 S180 L184 P185 F205 I211L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 WeakPolarHBondContact O-CB 3.49Å; L172-V176 VanDerWaalsContact O-CG2 3.32Å; L172-V176 WeakPolarHBondContact O-CG2 3.24Å; L172-V176 PolarHBondContact O-N 2.86Å; S173-V176 PolarHBondContact O-N 3.03Å; D174-V176 PolarHBondContact O-N 2.93Å; V176-L179 CarbonylContact O-C 3.48Å; V176-L179 PolarHBondContact O-N 3.44Å; V176-S180 PolarHBondContact O-N 3Å; V176-L184 HydrophobicContact CG1-CD1 4.36Å; V176-L184 HydrophobicContact CG1-CD2 4.2Å; V176-P185 HydrophobicContact CG2-CG 4.22Å; V176-F205 HydrophobicContact CB-CE1 4.1Å; V176-F205 HydrophobicContact CB-CZ 3.85Å; V176-F205 HydrophobicContact CG1-CE1 4.35Å; V176-F205 HydrophobicContact CG1-CZ 3.89Å; V176-F205 HydrophobicContact CG2-CE1 4.03Å; V176-F205 HydrophobicContact CG2-CZ 4.3Å; V176-I211 HydrophobicContact CG2-CD1 3.8Å
177S97.9Very high96.6Very high71 Ų7146.6 Ų46.650%0.49728%0.277SS..Hα-helixtrans-63.9-41.4176.1790000112.4S173 D174 L175 L179 S180S173-S177 WeakPolarHBondContact O-CB 3.39Å; S173-S177 PolarHBondContact O-N 3.14Å; D174-S177 PolarHBondContact O-N 2.77Å; D174-S177 PolarHBondContact O-OG 3Å; L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 2.95Å; S177-L179 VanDerWaalsContact C-N 3.32Å; S177-S180 WeakPolarHBondContact O-CB 3.24Å; S177-S180 PolarHBondContact O-N 3.42Å
178H97.9Very high96.7Very high102 Ų10246.6 Ų46.647%0.47228%0.277SS..Hα-helixtrans-69.8-30176-74.791000112.6L144 D174 L175 S180L144-H178 HydrophobicContact CD1-CB 3.85Å; L144-H178 HydrophobicContact CD2-CB 3.69Å; L144-H178 HydrophobicContact CG-CB 4.36Å; D174-H178 PolarHBondContact O-N 3.44Å; D174-H178 VanDerWaalsContact O-N 3.15Å; D174-H178 PolarHBondContact O-ND1 2.79Å; D174-H178 IonicContact OD1-CE1 3.46Å; D174-H178 PolarHBondContact OD1-CE1 3.21Å; D174-H178 IonicContact OD1-ND1 3.93Å; D174-H178 PolarHBondContact OD1-ND1 2.98Å; L175-H178 PolarHBondContact O-N 3.45Å; L175-H178 VanDerWaalsContact O-N 3.16Å; H178-S180 PolarHBondContact O-N 3.42Å
179L98.2Very high96.9Very high6 Ų643.4 Ų43.43%0.03126%0.262CS..THydrogen-bonded Turntrans-84.412.1177.5-62.7178.5000113.6L144 W147 L175 V176 S177 G181 H182 L184L144-L179 HydrophobicContact CD2-CD2 3.88Å; L144-L179 HydrophobicContact CD2-CG 4.34Å; W147-L179 HydrophobicContact CB-CD2 4.25Å; W147-L179 HydrophobicContact CD2-CD1 3.75Å; W147-L179 HydrophobicContact CD2-CD2 4.17Å; W147-L179 HydrophobicContact CE3-CD1 4.38Å; W147-L179 HydrophobicContact CG-CD1 4.13Å; W147-L179 HydrophobicContact CG-CD2 3.62Å; W147-L179 HydrophobicContact CH2-CD1 4.39Å; W147-L179 HydrophobicContact CZ2-CD1 3.72Å; L175-L179 HydrophobicContact CD1-CD1 3.82Å; L175-L179 HydrophobicContact CD1-CG 4.07Å; L175-L179 HydrophobicContact CG-CD1 3.84Å; L175-L179 HydrophobicContact CG-CG 4.41Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.33Å; L175-L179 PolarHBondContact O-N 2.64Å; V176-L179 CarbonylContact O-C 3.48Å; V176-L179 PolarHBondContact O-N 3.44Å; S177-L179 VanDerWaalsContact C-N 3.32Å; L179-G181 PolarHBondContact O-N 2.89Å; L179-G181 VanDerWaalsContact O-N 3.11Å; L179-H182 HydrophobicContact CB-CB 4.4Å; L179-H182 HydrophobicContact CD2-CB 4.38Å; L179-H182 WeakPolarHBondContact O-CB 3.43Å; L179-H182 PolarHBondContact O-N 3.46Å; L179-L184 HydrophobicContact CB-CD2 3.63Å
180S96Very high96.8Very high99 Ų9942.3 Ų42.369%0.69226%0.258SS*.THydrogen-bonded Turntrans-58.5116.9174.71750000111.1V176 S177 H178V176-S180 PolarHBondContact O-N 3Å; S177-S180 WeakPolarHBondContact O-CB 3.24Å; S177-S180 PolarHBondContact O-N 3.42Å; H178-S180 PolarHBondContact O-N 3.42Å
181G96.5Very high96.7Very high83 Ų8339.9 Ų39.986%0.85624%0.24SC*.THydrogen-bonded Turntrans92.6-0.2-17600000114.6L179L179-G181 PolarHBondContact O-N 2.89Å; L179-G181 VanDerWaalsContact O-N 3.11Å
182H97.7Very high96.2Very high101 Ų10143.7 Ų43.747%0.46826%0.259SS..SBendtrans-112.1172174.2-67.5-86.6000111E151 L179 L184E151-H182 IonicContact OE1-ND1 3.4Å; E151-H182 IonicContact OE2-CG 2.75Å; E151-H182 IonicContact OE2-ND1 3.54Å; E151-H182 PolarHBondContact OE2-ND1 3.16Å; L179-H182 HydrophobicContact CB-CB 4.4Å; L179-H182 HydrophobicContact CD2-CB 4.38Å; L179-H182 WeakPolarHBondContact O-CB 3.43Å; L179-H182 PolarHBondContact O-N 3.46Å; H182-L184 PolarHBondContact O-N 3.43Å
183V97.7Very high95.2Very high46 Ų4648.1 Ų48.128%0.27929%0.29SS..PPolyproline II helixtrans-61.1126.5169177.70000110.2W147 E151 I154 V162W147-V183 PolarHBondContact NE1-O 3.12Å; E151-V183 HydrophobicContact CG-CB 4.16Å; E151-V183 HydrophobicContact CG-CG2 3.89Å; E151-V183 WeakPolarHBondContact OE1-CG2 3.24Å; E151-V183 PolarHBondContact OE1-N 2.9Å; I154-V183 HydrophobicContact CD1-CG1 3.63Å; V162-V183 HydrophobicContact CG2-CG1 4.49Å
184L98.2Very high93.6Very high54 Ų5449 Ų4928%0.28330%0.303SS..PPolyproline II helixtrans-88.8153177.3-60.9-176.4000111.8V176 L179 H182 T186V176-L184 HydrophobicContact CG1-CD1 4.36Å; V176-L184 HydrophobicContact CG1-CD2 4.2Å; L179-L184 HydrophobicContact CB-CD2 3.63Å; H182-L184 PolarHBondContact O-N 3.43Å; L184-T186 PolarHBondContact O-N 3.5Å
185P98.4Very high91.7Very high2 Ų252.5 Ų52.51%0.01333%0.33CS..PPolyproline II helixtrans-58131.316521.6-29.4000110W147 V162 V164 L172 V176 I211W147-P185 HydrophobicContact CH2-CB 3.75Å; W147-P185 HydrophobicContact CH2-CG 4.1Å; W147-P185 HydrophobicContact CZ2-CB 4.27Å; W147-P185 HydrophobicContact CZ2-CG 4.38Å; V162-P185 WeakPolarHBondContact O-CA 3.39Å; V164-P185 HydrophobicContact CG1-CB 4.15Å; V164-P185 HydrophobicContact CG2-CB 4.01Å; V164-P185 HydrophobicContact CG2-CG 4.48Å; L172-P185 HydrophobicContact CD1-CG 4.38Å; V176-P185 HydrophobicContact CG2-CG 4.22Å; P185-I211 HydrophobicContact CG-CD1 4.31Å; P185-I211 WeakPolarHBondContact O-CG1 3.45Å
186T98.3Very high89.8Confident38 Ų3857.6 Ų57.623%0.23337%0.365CS..SBendtrans-91.8-18.5176.658.80000112.7E161 V162 L184 I211 S212E161-T186 HydrophobicContact CB-CG2 4.14Å; E161-T186 HydrophobicContact CG-CG2 4.01Å; V162-T186 PolarHBondContact O-N 2.82Å; V162-T186 PolarHBondContact O-OG1 3.22Å; V162-T186 VanDerWaalsContact O-OG1 3.04Å; L184-T186 PolarHBondContact O-N 3.5Å; T186-I211 WeakPolarHBondContact O-CA 3.05Å; T186-S212 PolarHBondContact O-N 3.32Å
187V98.2Very high88.2Confident15 Ų1566.7 Ų66.79%0.09140%0.404CS..EExtended strand (participates in β ladder)trans-133136.2180-179.80000109I123 G163 V164 H189 S212 V214I123-V187 HydrophobicContact CD1-CG1 4.29Å; G163-V187 CarbonylContact C-O 3.59Å; G163-V187 WeakPolarHBondContact CA-O 3.27Å; V164-V187 PolarHBondContact N-O 3.41Å; V187-H189 HydrophobicContact CG1-CB 4.46Å; V187-S212 WeakPolarHBondContact CA-O 3.33Å; V187-V214 HydrophobicContact CG1-CB 4.24Å; V187-V214 HydrophobicContact CG1-CG2 3.97Å
188N97.5Very high87.3Confident0 Ų066.5 Ų66.50%040%0.396CS..EExtended strand (participates in β ladder)trans-113.8105.6158.4-178.227.4000107.7V164 L167 L172 Y190 I211 S212 L213 V214V164-N188 HydrophobicContact CG2-CB 4.15Å; V164-N188 CarbonylContact O-C 3.59Å; V164-N188 WeakPolarHBondContact O-CA 3.25Å; L167-N188 PolarHBondContact N-OD1 2.99Å; L167-N188 PolarHBondContact O-ND2 3.18Å; L172-N188 HydrophobicContact CD2-CB 4.23Å; N188-Y190 PolarHBondContact O-N 2.66Å; N188-I211 HydrophobicContact CB-CG2 4.03Å; N188-S212 PolarHBondContact N-O 3.35Å; N188-L213 HydrophobicContact CB-CD2 3.86Å; N188-V214 PolarHBondContact O-N 3.39Å
189H95.3Very high86.8Confident20 Ų2063.6 Ų63.69%0.09339%0.387CS..EExtended strand (participates in β ladder)trans-80.5105-179.6-153.3-161.2000107.6K92 I123 V164 A165 D166 V187 V214 A215 H216K92-H189 WeakPolarHBondContact CD-ND1 3.43Å; K92-H189 WeakPolarHBondContact CE-ND1 3.27Å; K92-H189 PolarHBondContact NZ-ND1 2.82Å; I123-H189 HydrophobicContact CD1-CB 4.16Å; I123-H189 HydrophobicContact CG2-CB 3.86Å; V164-H189 PolarHBondContact O-N 3.32Å; A165-H189 CarbonylContact C-O 3.45Å; A165-H189 WeakPolarHBondContact CA-O 3.38Å; A165-H189 HydrophobicContact CB-CB 4.14Å; D166-H189 PolarHBondContact N-O 2.93Å; V187-H189 HydrophobicContact CG1-CB 4.46Å; H189-V214 CarbonylContact C-O 3.23Å; H189-V214 VanDerWaalsContact CA-O 3.3Å; H189-V214 WeakPolarHBondContact CA-O 3.32Å; H189-V214 PolarHBondContact CD2-O 3.46Å; H189-A215 PolarHBondContact NE2-O 3.5Å; H189-H216 AromaticContact CD2-CD2 3.63Å; H189-H216 AromaticContact CE1-CD2 3.84Å; H189-H216 AromaticContact CE1-CG 3.96Å; H189-H216 AromaticContact CG-CD2 3.36Å; H189-H216 AromaticContact ND1-CD2 3.51Å; H189-H216 AromaticContact ND1-CG 3.99Å; H189-H216 AromaticContact NE2-CD2 3.91Å; H189-H216 PolarHBondContact O-NE2 3.18Å; H189-H216 VanDerWaalsContact O-NE2 3.14Å
190Y92Very high86.5Confident54 Ų5471.4 Ų71.421%0.21242%0.424CS..EExtended strand (participates in β ladder)trans-97.8135.9-173.374.9-88.4000111.8N188 M192 M198 L213 V214 A215 H216N188-Y190 PolarHBondContact O-N 2.66Å; Y190-M192 HydrophobicContact CE2-CG 3.94Å; Y190-M192 PolarHBondContact O-N 3.47Å; Y190-M198 HydrophobicContact CD1-SD 4.45Å; Y190-M198 HydrophobicContact CE1-SD 4.17Å; Y190-L213 HydrophobicContact CD1-CB 4.11Å; Y190-L213 HydrophobicContact CE1-CB 4.19Å; Y190-V214 VanDerWaalsContact CD1-C 3.49Å; Y190-V214 WeakPolarHBondContact CD1-O 3.24Å; Y190-V214 VanDerWaalsContact CE1-C 3.48Å; Y190-V214 PolarHBondContact N-O 2.79Å; Y190-A215 HydrophobicContact CE1-CB 3.75Å; Y190-A215 HydrophobicContact CE2-CB 3.96Å; Y190-A215 VanDerWaalsContact CZ-CB 3.42Å; Y190-A215 CarbonylContact O-C 3.58Å; Y190-A215 WeakPolarHBondContact O-CA 3.43Å; Y190-A215 WeakPolarHBondContact OH-CB 3.3Å; Y190-H216 VanDerWaalsContact C-CD2 3.44Å; Y190-H216 PolarHBondContact O-CD2 3.05Å; Y190-H216 VanDerWaalsContact O-CD2 3.31Å; Y190-H216 PolarHBondContact O-N 2.74Å
191N89.2Confident86.5Confident28 Ų2872.8 Ų72.815%0.1542%0.419CS..EExtended strand (participates in β ladder)trans-73.6124.1176.2-154.6-32.2000112.8D166 S193 H216 D218D166-N191 WeakPolarHBondContact OD1-CB 3.38Å; D166-N191 PolarHBondContact OD1-N 3.35Å; N191-S193 VanDerWaalsContact C-N 3.34Å; N191-S193 PolarHBondContact ND2-OG 3.04Å; N191-S193 VanDerWaalsContact OD1-CB 3.31Å; N191-S193 WeakPolarHBondContact OD1-CB 3.31Å; N191-S193 PolarHBondContact OD1-N 3.18Å; N191-S193 PolarHBondContact OD1-OG 2.6Å; N191-H216 PolarHBondContact N-NE2 3.02Å; N191-H216 PolarHBondContact OD1-O 2.96Å; N191-D218 PolarHBondContact ND2-O 3.31Å
192M84.3Confident86.4Confident103 Ų10368.9 Ų68.951%0.50738%0.379SS..THydrogen-bonded Turntrans-78.7-14.5173.9-66.5-167.8-67.300113.7Y190 G194 A215 H216 C217Y190-M192 HydrophobicContact CE2-CG 3.94Å; Y190-M192 PolarHBondContact O-N 3.47Å; M192-G194 PolarHBondContact O-N 3.38Å; M192-A215 HydrophobicContact CE-CB 3.99Å; M192-A215 HydrophobicContact CG-CB 3.65Å; M192-A215 HydrophobicContact SD-CB 3.49Å; M192-A215 WeakPolarHBondContact SD-CB 2.98Å; M192-H216 PolarHBondContact N-O 3.49Å; M192-C217 WeakPolarHBondContact CE-SG 3.39Å
193S75.1Confident86.3Confident92 Ų9267.5 Ų67.564%0.64337%0.374SS*.THydrogen-bonded Turntrans-71.3-14.518065.30000113.3N191N191-S193 VanDerWaalsContact C-N 3.34Å; N191-S193 PolarHBondContact ND2-OG 3.04Å; N191-S193 VanDerWaalsContact OD1-CB 3.31Å; N191-S193 WeakPolarHBondContact OD1-CB 3.31Å; N191-S193 PolarHBondContact OD1-N 3.18Å; N191-S193 PolarHBondContact OD1-OG 2.6Å
194G63.7Low86.3Confident44 Ų4468.8 Ų68.845%0.45438%0.377SS..SBendtrans-66.9134.9171.800000111.8M192 C196M192-G194 PolarHBondContact O-N 3.38Å; G194-C196 PolarHBondContact O-N 3.03Å
195C58.1Low86.2Confident135 Ų13567.1 Ų67.191%0.91237%0.367SS*.SBendtrans-56.1-19.3172.3178.10000113.2K197C195-K197 PolarHBondContact O-N 2.91Å
196C57.9Low86.2Confident107 Ų10767.1 Ų67.172%0.72337%0.367SS*.SBendtrans-84.9109.9-173.9-58.10000109.9G194 M198G194-C196 PolarHBondContact O-N 3.03Å; C196-M198 PolarHBondContact O-N 3.05Å
197K64.8Low86.1Confident200 Ų20073.3 Ų73.387%0.8739%0.386SS*.  trans-48.3137.6161.3-69.3-178.2178.1-179.80108.7C195 S199C195-K197 PolarHBondContact O-N 2.91Å; K197-S199 PolarHBondContact O-N 3.21Å
198M78.3Confident86.1Confident67 Ų6778.2 Ų78.233%0.3341%0.408SS..  trans-45.6124.6171.9-175.9168.766.300110.1Y190 C196 L202 I203 L213Y190-M198 HydrophobicContact CD1-SD 4.45Å; Y190-M198 HydrophobicContact CE1-SD 4.17Å; C196-M198 PolarHBondContact O-N 3.05Å; M198-L202 HydrophobicContact CG-CD2 4.24Å; M198-I203 HydrophobicContact CE-CD1 3.41Å; M198-I203 VanDerWaalsContact CE-CD1 3.41Å; M198-I203 HydrophobicContact CE-CG1 3.4Å; M198-I203 VanDerWaalsContact CE-CG1 3.4Å; M198-I203 HydrophobicContact CG-CD1 4.14Å; M198-I203 HydrophobicContact CG-CG1 3.72Å; M198-I203 HydrophobicContact SD-CD1 4.37Å; M198-I203 HydrophobicContact SD-CG1 3.82Å; M198-L213 HydrophobicContact CE-CD1 4.38Å; M198-L213 HydrophobicContact CG-CD1 4.41Å; M198-L213 HydrophobicContact SD-CB 4.15Å; M198-L213 HydrophobicContact SD-CD1 3.4Å; M198-L213 WeakPolarHBondContact SD-CD1 3.49Å; M198-L213 HydrophobicContact SD-CG 4.37Å
199S87Confident86.1Confident42 Ų4281.4 Ų81.429%0.29442%0.423SS..  trans-73.3143.8-176.871.30000110.8K197 Q201 L202 I203K197-S199 PolarHBondContact O-N 3.21Å; S199-Q201 PolarHBondContact O-N 3.35Å; S199-L202 PolarHBondContact O-N 3.16Å; S199-L202 WeakPolarHBondContact OG-CB 3.49Å; S199-L202 PolarHBondContact OG-N 2.93Å; S199-I203 WeakPolarHBondContact O-CG1 3.32Å; S199-I203 PolarHBondContact O-N 3.35Å
200E92Very high86.2Confident170 Ų17087.2 Ų87.279%0.79446%0.455SS*.Hα-helixtrans-56.2-33.4175.2-66.7179.3177.200111.9I203 E204E200-I203 PolarHBondContact O-N 3.33Å; E200-E204 PolarHBondContact O-N 2.84Å
201Q95.1Very high86.5Confident127 Ų12785.1 Ų85.159%0.59345%0.447SS*.Hα-helixtrans-61.6-44.2175.2-68.8-180-31.500112.4Y169 S199 F205Y169-Q201 HydrophobicContact CD1-CB 4.2Å; Y169-Q201 HydrophobicContact CD2-CB 4.11Å; Y169-Q201 HydrophobicContact CE2-CB 4.49Å; Y169-Q201 HydrophobicContact CG-CB 3.95Å; S199-Q201 PolarHBondContact O-N 3.35Å; Q201-F205 VanDerWaalsContact O-CB 3.26Å; Q201-F205 WeakPolarHBondContact O-CB 3.42Å; Q201-F205 PolarHBondContact O-N 2.83Å
202L94.7Very high86.9Confident2 Ų286.9 Ų86.91%0.0146%0.462CS..Hα-helixtrans-64.3-42.1177.3179.659.5000111.2L172 M198 S199 A206 L213L172-L202 HydrophobicContact CB-CD1 4.5Å; L172-L202 HydrophobicContact CD2-CD1 3.62Å; M198-L202 HydrophobicContact CG-CD2 4.24Å; S199-L202 PolarHBondContact O-N 3.16Å; S199-L202 WeakPolarHBondContact OG-CB 3.49Å; S199-L202 PolarHBondContact OG-N 2.93Å; L202-A206 VanDerWaalsContact O-CB 3.22Å; L202-A206 WeakPolarHBondContact O-CB 3.38Å; L202-A206 PolarHBondContact O-N 2.84Å; L202-L213 HydrophobicContact CD1-CD2 4.49Å; L202-L213 HydrophobicContact CG-CD1 4.11Å; L202-L213 HydrophobicContact CG-CD2 4.36Å
203I95.5Very high87.5Confident72 Ų7284 Ų8437%0.36945%0.448SS..Hα-helixtrans-61.2-51.3179-59.1172.6000110.7M198 S199 E200 A206 R207 L213M198-I203 HydrophobicContact CE-CD1 3.41Å; M198-I203 VanDerWaalsContact CE-CD1 3.41Å; M198-I203 HydrophobicContact CE-CG1 3.4Å; M198-I203 VanDerWaalsContact CE-CG1 3.4Å; M198-I203 HydrophobicContact CG-CD1 4.14Å; M198-I203 HydrophobicContact CG-CG1 3.72Å; M198-I203 HydrophobicContact SD-CD1 4.37Å; M198-I203 HydrophobicContact SD-CG1 3.82Å; S199-I203 WeakPolarHBondContact O-CG1 3.32Å; S199-I203 PolarHBondContact O-N 3.35Å; E200-I203 PolarHBondContact O-N 3.33Å; I203-A206 PolarHBondContact O-N 3.12Å; I203-R207 WeakPolarHBondContact O-CB 2.96Å; I203-R207 PolarHBondContact O-N 3.08Å; I203-L213 HydrophobicContact CG1-CD1 4.29Å
204E97.6Very high88.4Confident72 Ų7282.8 Ų82.834%0.33644%0.437SS..Hα-helixtrans-65.6-42.1-177.6-179.655.7-16100111.2E200 R207 Q208E200-E204 PolarHBondContact O-N 2.84Å; E204-R207 PolarHBondContact O-N 3.4Å; E204-R207 IonicContact OE1-CZ 3.88Å; E204-R207 IonicContact OE1-NE 3.8Å; E204-R207 IonicContact OE1-NH2 3.55Å; E204-R207 PolarHBondContact OE1-NH2 2.99Å; E204-R207 IonicContact OE2-CZ 3.82Å; E204-R207 IonicContact OE2-NE 3.15Å; E204-R207 PolarHBondContact OE2-NE 3.4Å; E204-R207 IonicContact OE2-NH2 3.76Å; E204-R207 PolarHBondContact OE2-NH2 3.28Å; E204-R207 VanDerWaalsContact OE2-NH2 3.11Å; E204-Q208 WeakPolarHBondContact O-CB 3.3Å; E204-Q208 VanDerWaalsContact O-CG 3.24Å; E204-Q208 WeakPolarHBondContact O-CG 3.23Å; E204-Q208 PolarHBondContact O-N 3.34Å; E204-Q208 PolarHBondContact OE1-NE2 3.26Å
205F97.8Very high89.8Confident20 Ų2082.4 Ų82.49%0.08843%0.429CS..Hα-helixtrans-61.3-47.1176.9-175.7-92000112.3Y169 L172 S173 V176 Q201 R207 Q208 H209Y169-F205 HydrophobicContact CD2-CB 3.78Å; Y169-F205 HydrophobicContact CD2-CD2 4.45Å; Y169-F205 HydrophobicContact CD2-CG 4.09Å; Y169-F205 HydrophobicContact CE2-CB 3.74Å; Y169-F205 AromaticContact CE2-CD2 3.8Å; Y169-F205 HydrophobicContact CE2-CD2 3.8Å; Y169-F205 AromaticContact CE2-CG 3.88Å; Y169-F205 HydrophobicContact CE2-CG 3.88Å; L172-F205 HydrophobicContact CD2-CD1 4.08Å; L172-F205 HydrophobicContact CD2-CE1 4.34Å; L172-F205 HydrophobicContact CG-CD1 4.26Å; L172-F205 HydrophobicContact CG-CE1 4.08Å; S173-F205 VanDerWaalsContact CA-CZ 3.45Å; V176-F205 HydrophobicContact CB-CE1 4.1Å; V176-F205 HydrophobicContact CB-CZ 3.85Å; V176-F205 HydrophobicContact CG1-CE1 4.35Å; V176-F205 HydrophobicContact CG1-CZ 3.89Å; V176-F205 HydrophobicContact CG2-CE1 4.03Å; V176-F205 HydrophobicContact CG2-CZ 4.3Å; Q201-F205 VanDerWaalsContact O-CB 3.26Å; Q201-F205 WeakPolarHBondContact O-CB 3.42Å; Q201-F205 PolarHBondContact O-N 2.83Å; F205-R207 VanDerWaalsContact C-N 3.33Å; F205-R207 PolarHBondContact O-N 3.14Å; F205-Q208 PolarHBondContact O-N 2.79Å; F205-H209 AromaticContact CD2-CE1 3.76Å; F205-H209 AromaticContact CD2-ND1 3.83Å; F205-H209 AromaticContact CE1-ND1 3.76Å; F205-H209 AromaticContact CE2-CE1 3.22Å; F205-H209 WeakPolarHBondContact CE2-CE1 3.34Å; F205-H209 AromaticContact CE2-ND1 3.56Å; F205-H209 AromaticContact CZ-CE1 3.44Å; F205-H209 VanDerWaalsContact CZ-CE1 3.44Å; F205-H209 WeakPolarHBondContact CZ-CE1 3.13Å; F205-H209 AromaticContact CZ-ND1 3.49Å; F205-H209 WeakPolarHBondContact CZ-ND1 3.41Å; F205-H209 AromaticContact CZ-NE2 3.98Å; F205-H209 PolarHBondContact O-N 3.31Å; F205-H209 VanDerWaalsContact O-N 3.15Å; F205-H209 PolarHBondContact O-ND1 3.09Å
206A97.4Very high91.5Very high1 Ų176.5 Ų76.51%0.00839%0.388CS..Hα-helixtrans-62.4-42.6179.100000111.1L202 I203 Q208 H209 N210 I211 L213L202-A206 VanDerWaalsContact O-CB 3.22Å; L202-A206 WeakPolarHBondContact O-CB 3.38Å; L202-A206 PolarHBondContact O-N 2.84Å; I203-A206 PolarHBondContact O-N 3.12Å; A206-Q208 PolarHBondContact O-N 2.85Å; A206-H209 CarbonylContact O-C 3.54Å; A206-H209 PolarHBondContact O-N 3.45Å; A206-N210 PolarHBondContact O-N 3.25Å; A206-I211 HydrophobicContact CB-CB 4.1Å; A206-I211 WeakPolarHBondContact CB-O 3.14Å; A206-I211 PolarHBondContact O-N 2.87Å; A206-L213 HydrophobicContact CB-CD1 3.79Å; A206-L213 HydrophobicContact CB-CD2 3.7Å; A206-L213 HydrophobicContact CB-CG 3.65Å
207R97.4Very high93.1Very high168 Ų16875 Ų7563%0.63438%0.378SS*.Hα-helixtrans-59-44.8174.2-171.6-176.67791.32.8112.1I203 E204 F205 H209 N210I203-R207 WeakPolarHBondContact O-CB 2.96Å; I203-R207 PolarHBondContact O-N 3.08Å; E204-R207 PolarHBondContact O-N 3.4Å; E204-R207 IonicContact OE1-CZ 3.88Å; E204-R207 IonicContact OE1-NE 3.8Å; E204-R207 IonicContact OE1-NH2 3.55Å; E204-R207 PolarHBondContact OE1-NH2 2.99Å; E204-R207 IonicContact OE2-CZ 3.82Å; E204-R207 IonicContact OE2-NE 3.15Å; E204-R207 PolarHBondContact OE2-NE 3.4Å; E204-R207 IonicContact OE2-NH2 3.76Å; E204-R207 PolarHBondContact OE2-NH2 3.28Å; E204-R207 VanDerWaalsContact OE2-NH2 3.11Å; F205-R207 VanDerWaalsContact C-N 3.33Å; F205-R207 PolarHBondContact O-N 3.14Å; R207-H209 VanDerWaalsContact C-N 3.27Å; R207-H209 PolarHBondContact O-N 3.08Å; R207-N210 PolarHBondContact O-N 3.08Å
208Q97.8Very high94.5Very high118 Ų11865.7 Ų65.755%0.55134%0.338SS*.Hα-helixtrans-63.9-31.4179.9-74.3173.1-1.800113.1E204 F205 A206E204-Q208 WeakPolarHBondContact O-CB 3.3Å; E204-Q208 VanDerWaalsContact O-CG 3.24Å; E204-Q208 WeakPolarHBondContact O-CG 3.23Å; E204-Q208 PolarHBondContact O-N 3.34Å; E204-Q208 PolarHBondContact OE1-NE2 3.26Å; F205-Q208 PolarHBondContact O-N 2.79Å; A206-Q208 PolarHBondContact O-N 2.85Å
209H97.7Very high95.3Very high67 Ų6764 Ų6431%0.3133%0.332SS..THydrogen-bonded Turntrans-10310.5-177.4-64.283.8000113.6F205 A206 R207 I211F205-H209 AromaticContact CD2-CE1 3.76Å; F205-H209 AromaticContact CD2-ND1 3.83Å; F205-H209 AromaticContact CE1-ND1 3.76Å; F205-H209 AromaticContact CE2-CE1 3.22Å; F205-H209 WeakPolarHBondContact CE2-CE1 3.34Å; F205-H209 AromaticContact CE2-ND1 3.56Å; F205-H209 AromaticContact CZ-CE1 3.44Å; F205-H209 VanDerWaalsContact CZ-CE1 3.44Å; F205-H209 WeakPolarHBondContact CZ-CE1 3.13Å; F205-H209 AromaticContact CZ-ND1 3.49Å; F205-H209 WeakPolarHBondContact CZ-ND1 3.41Å; F205-H209 AromaticContact CZ-NE2 3.98Å; F205-H209 PolarHBondContact O-N 3.31Å; F205-H209 VanDerWaalsContact O-N 3.15Å; F205-H209 PolarHBondContact O-ND1 3.09Å; A206-H209 CarbonylContact O-C 3.54Å; A206-H209 PolarHBondContact O-N 3.45Å; R207-H209 VanDerWaalsContact C-N 3.27Å; R207-H209 PolarHBondContact O-N 3.08Å; H209-I211 HydrophobicContact CB-CD1 3.97Å; H209-I211 HydrophobicContact CB-CG1 3.9Å; H209-I211 PolarHBondContact O-N 3.06Å
210N97.2Very high95.4Very high143 Ų14365.7 Ų65.777%0.76534%0.335SS*.THydrogen-bonded Turntrans55.136.9-176.2-55.5-66.1000113.7A206 R207A206-N210 PolarHBondContact O-N 3.25Å; R207-N210 PolarHBondContact O-N 3.08Å
211I98.3Very high95.5Very high9 Ų960.2 Ų60.25%0.04632%0.315CS..  trans-94.9123.2176.2-52.1-177000108.4L172 V176 P185 T186 N188 A206 H209L172-I211 HydrophobicContact CD1-CD1 4.21Å; L172-I211 HydrophobicContact CD2-CD1 4.32Å; L172-I211 HydrophobicContact CG-CD1 4.46Å; V176-I211 HydrophobicContact CG2-CD1 3.8Å; P185-I211 HydrophobicContact CG-CD1 4.31Å; P185-I211 WeakPolarHBondContact O-CG1 3.45Å; T186-I211 WeakPolarHBondContact O-CA 3.05Å; N188-I211 HydrophobicContact CB-CG2 4.03Å; A206-I211 HydrophobicContact CB-CB 4.1Å; A206-I211 WeakPolarHBondContact CB-O 3.14Å; A206-I211 PolarHBondContact O-N 2.87Å; H209-I211 HydrophobicContact CB-CD1 3.97Å; H209-I211 HydrophobicContact CB-CG1 3.9Å; H209-I211 PolarHBondContact O-N 3.06Å
212S97.6Very high95.5Very high66 Ų6654.5 Ų54.546%0.46229%0.288SS..EExtended strand (participates in β ladder)trans-77.3128.6175.6-64.40000110.6T186 V187 N188T186-S212 PolarHBondContact O-N 3.32Å; V187-S212 WeakPolarHBondContact CA-O 3.33Å; N188-S212 PolarHBondContact N-O 3.35Å
213L96.2Very high95.6Very high42 Ų4255.6 Ų55.622%0.2229%0.294CS..EExtended strand (participates in β ladder)trans-93.5105.1171.6-60.3-177.4000108.9N188 Y190 M198 L202 I203 A206N188-L213 HydrophobicContact CB-CD2 3.86Å; Y190-L213 HydrophobicContact CD1-CB 4.11Å; Y190-L213 HydrophobicContact CE1-CB 4.19Å; M198-L213 HydrophobicContact CE-CD1 4.38Å; M198-L213 HydrophobicContact CG-CD1 4.41Å; M198-L213 HydrophobicContact SD-CB 4.15Å; M198-L213 HydrophobicContact SD-CD1 3.4Å; M198-L213 WeakPolarHBondContact SD-CD1 3.49Å; M198-L213 HydrophobicContact SD-CG 4.37Å; L202-L213 HydrophobicContact CD1-CD2 4.49Å; L202-L213 HydrophobicContact CG-CD1 4.11Å; L202-L213 HydrophobicContact CG-CD2 4.36Å; I203-L213 HydrophobicContact CG1-CD1 4.29Å; A206-L213 HydrophobicContact CB-CD1 3.79Å; A206-L213 HydrophobicContact CB-CD2 3.7Å; A206-L213 HydrophobicContact CB-CG 3.65Å
214V94.4Very high95.6Very high66 Ų6654.3 Ų54.340%0.429%0.289SS..EExtended strand (participates in β ladder)trans-109136.7-179.2-177.50000108.3V187 N188 H189 Y190V187-V214 HydrophobicContact CG1-CB 4.24Å; V187-V214 HydrophobicContact CG1-CG2 3.97Å; N188-V214 PolarHBondContact O-N 3.39Å; H189-V214 CarbonylContact C-O 3.23Å; H189-V214 VanDerWaalsContact CA-O 3.3Å; H189-V214 WeakPolarHBondContact CA-O 3.32Å; H189-V214 PolarHBondContact CD2-O 3.46Å; Y190-V214 VanDerWaalsContact CD1-C 3.49Å; Y190-V214 WeakPolarHBondContact CD1-O 3.24Å; Y190-V214 VanDerWaalsContact CE1-C 3.48Å; Y190-V214 PolarHBondContact N-O 2.79Å
215A92.8Very high95.5Very high36 Ų3653.8 Ų53.830%0.29830%0.297SS..EExtended strand (participates in β ladder)trans-88.1149.5-177.100000111.9H189 Y190 M192H189-A215 PolarHBondContact NE2-O 3.5Å; Y190-A215 HydrophobicContact CE1-CB 3.75Å; Y190-A215 HydrophobicContact CE2-CB 3.96Å; Y190-A215 VanDerWaalsContact CZ-CB 3.42Å; Y190-A215 CarbonylContact O-C 3.58Å; Y190-A215 WeakPolarHBondContact O-CA 3.43Å; Y190-A215 WeakPolarHBondContact OH-CB 3.3Å; M192-A215 HydrophobicContact CE-CB 3.99Å; M192-A215 HydrophobicContact CG-CB 3.65Å; M192-A215 HydrophobicContact SD-CB 3.49Å; M192-A215 WeakPolarHBondContact SD-CB 2.98Å
216H93.4Very high95.5Very high11 Ų1161 Ų615%0.05132%0.324CS..EExtended strand (participates in β ladder)trans-144.5169.5165.864.394.3000113.5K92 D166 H189 Y190 N191 M192 D218K92-H216 PolarHBondContact NZ-CD2 3.33Å; K92-H216 VanDerWaalsContact NZ-CD2 3.26Å; K92-H216 PolarHBondContact NZ-CE1 2.85Å; K92-H216 VanDerWaalsContact NZ-CE1 3.31Å; K92-H216 PolarHBondContact NZ-ND1 2.91Å; K92-H216 PolarHBondContact NZ-NE2 3.48Å; K92-H216 VanDerWaalsContact NZ-NE2 3.14Å; D166-H216 IonicContact OD1-CE1 3.31Å; D166-H216 PolarHBondContact OD1-CE1 3.15Å; D166-H216 IonicContact OD1-NE2 2.75Å; D166-H216 PolarHBondContact OD1-NE2 3.16Å; D166-H216 IonicContact OD2-CE1 3.59Å; D166-H216 IonicContact OD2-NE2 3.65Å; H189-H216 AromaticContact CD2-CD2 3.63Å; H189-H216 AromaticContact CE1-CD2 3.84Å; H189-H216 AromaticContact CE1-CG 3.96Å; H189-H216 AromaticContact CG-CD2 3.36Å; H189-H216 AromaticContact ND1-CD2 3.51Å; H189-H216 AromaticContact ND1-CG 3.99Å; H189-H216 AromaticContact NE2-CD2 3.91Å; H189-H216 PolarHBondContact O-NE2 3.18Å; H189-H216 VanDerWaalsContact O-NE2 3.14Å; Y190-H216 VanDerWaalsContact C-CD2 3.44Å; Y190-H216 PolarHBondContact O-CD2 3.05Å; Y190-H216 VanDerWaalsContact O-CD2 3.31Å; Y190-H216 PolarHBondContact O-N 2.74Å; N191-H216 PolarHBondContact N-NE2 3.02Å; N191-H216 PolarHBondContact OD1-O 2.96Å; M192-H216 PolarHBondContact N-O 3.49Å; H216-D218 IonicContact CG-OD2 3.71Å; H216-D218 PolarHBondContact ND1-N 3.06Å; H216-D218 IonicContact ND1-OD2 2.95Å; H216-D218 PolarHBondContact ND1-OD2 3.2Å
217C92.4Very high95.5Very high76 Ų7663.2 Ų63.251%0.51433%0.334SS..  trans-120.616.5174.6-59.30000112.9M192M192-C217 WeakPolarHBondContact CE-SG 3.39Å
218D94.3Very high95.5Very high4 Ų455.3 Ų55.32%0.02130%0.304CS..  trans-58.3134.6176.4-57.5-43.8000110.7P37 K92 F94 N191 H216 F222 R253P37-D218 WeakPolarHBondContact CG-OD1 3.49Å; K92-D218 WeakPolarHBondContact CE-OD2 3.28Å; K92-D218 IonicContact NZ-OD2 3.98Å; K92-D218 PolarHBondContact NZ-OD2 2.86Å; F94-D218 HydrophobicContact CE1-CB 3.85Å; F94-D218 HydrophobicContact CZ-CB 4.07Å; N191-D218 PolarHBondContact ND2-O 3.31Å; H216-D218 IonicContact CG-OD2 3.71Å; H216-D218 PolarHBondContact ND1-N 3.06Å; H216-D218 IonicContact ND1-OD2 2.95Å; H216-D218 PolarHBondContact ND1-OD2 3.2Å; D218-F222 HydrophobicContact CB-CD2 3.96Å; D218-F222 HydrophobicContact CB-CE2 4.11Å; D218-R253 VanDerWaalsContact CG-NH2 3.34Å; D218-R253 IonicContact OD1-CZ 2.6Å; D218-R253 VanDerWaalsContact OD1-CZ 3.31Å; D218-R253 IonicContact OD1-NH1 3.68Å; D218-R253 PolarHBondContact OD1-NH1 2.96Å; D218-R253 IonicContact OD1-NH2 3.49Å; D218-R253 PolarHBondContact OD1-NH2 2.78Å; D218-R253 IonicContact OD2-CZ 2.66Å; D218-R253 IonicContact OD2-NH2 2.74Å; D218-R253 PolarHBondContact OD2-NH2 3.26Å
219P93.8Very high95.5Very high33 Ų3352 Ų5221%0.21429%0.288CS..  trans-57.9149.3168.8-27.438.1000111.5D36 T38 P221 F222D36-P219 HydrophobicContact CB-CG 3.78Å; T38-P219 WeakPolarHBondContact OG1-CD 3.26Å; T38-P219 VanDerWaalsContact OG1-CG 3.27Å; T38-P219 WeakPolarHBondContact OG1-CG 3.4Å; P219-P221 CarbonylContact C-O 3.41Å; P219-P221 CarbonylContact O-C 3.55Å; P219-F222 VanDerWaalsContact O-CA 3.26Å; P219-F222 WeakPolarHBondContact O-CA 3.36Å; P219-F222 PolarHBondContact O-N 2.85Å
220H90.8Very high95.4Very high76 Ų7653.1 Ų53.135%0.35229%0.294SS..SBendtrans-135108179.8-167.794.5000109.3L126 P128 D166L126-H220 PolarHBondContact O-CE1 3.15Å; P128-H220 WeakPolarHBondContact CD-NE2 3.4Å; D166-H220 IonicContact OD2-CE1 3.5Å; D166-H220 IonicContact OD2-CG 3.26Å; D166-H220 IonicContact OD2-ND1 2.79Å; D166-H220 PolarHBondContact OD2-ND1 3.36Å; D166-H220 VanDerWaalsContact OD2-ND1 3.15Å
221P92.6Very high95.4Very high56 Ų5646.8 Ų46.836%0.36426%0.26SS..SBendcis-67.2154.7331.9-37.3000112.8P128 P219 T224P128-P221 HydrophobicContact CG-CB 4.37Å; P128-P221 HydrophobicContact CG-CG 4.44Å; P219-P221 CarbonylContact C-O 3.41Å; P219-P221 CarbonylContact O-C 3.55Å; P221-T224 HydrophobicContact CG-CG2 3.54Å
222F96.2Very high95.3Very high7 Ų746.5 Ų46.53%0.03126%0.258CS..SBendtrans-74.3-36.3-175.9-171.7-108.6000113.7P37 T38 L41 F94 D218 P219 A251 Y269P37-F222 HydrophobicContact CB-CE2 3.98Å; P37-F222 HydrophobicContact CB-CZ 4.36Å; T38-F222 WeakPolarHBondContact CB-O 3.45Å; T38-F222 WeakPolarHBondContact CG2-O 3.5Å; T38-F222 PolarHBondContact OG1-O 3.17Å; L41-F222 HydrophobicContact CB-CE1 4.4Å; L41-F222 HydrophobicContact CD1-CE1 4.27Å; L41-F222 HydrophobicContact CD2-CD1 4.27Å; L41-F222 HydrophobicContact CD2-CE1 3.79Å; L41-F222 HydrophobicContact CG-CE1 4.38Å; F94-F222 HydrophobicContact CB-CB 3.6Å; F94-F222 HydrophobicContact CB-CD1 4Å; F94-F222 HydrophobicContact CB-CG 4Å; F94-F222 HydrophobicContact CD1-CB 3.36Å; F94-F222 HydrophobicContact CD1-CD1 4.17Å; F94-F222 AromaticContact CD1-CD2 3.82Å; F94-F222 HydrophobicContact CD1-CD2 3.82Å; F94-F222 AromaticContact CD1-CG 3.53Å; F94-F222 HydrophobicContact CD1-CG 3.53Å; F94-F222 HydrophobicContact CD2-CB 4.18Å; F94-F222 AromaticContact CD2-CD1 3.41Å; F94-F222 HydrophobicContact CD2-CD1 3.41Å; F94-F222 VanDerWaalsContact CD2-CD1 3.41Å; F94-F222 HydrophobicContact CD2-CD2 4.13Å; F94-F222 AromaticContact CD2-CE1 3.69Å; F94-F222 HydrophobicContact CD2-CE1 3.69Å; F94-F222 HydrophobicContact CD2-CE2 4.36Å; F94-F222 AromaticContact CD2-CG 3.64Å; F94-F222 HydrophobicContact CD2-CG 3.64Å; F94-F222 HydrophobicContact CD2-CZ 4.17Å; F94-F222 HydrophobicContact CE1-CB 3.96Å; F94-F222 HydrophobicContact CE1-CD1 4.46Å; F94-F222 AromaticContact CE1-CD2 3.5Å; F94-F222 HydrophobicContact CE1-CD2 3.5Å; F94-F222 VanDerWaalsContact CE1-CD2 3.5Å; F94-F222 HydrophobicContact CE1-CE2 4.04Å; F94-F222 AromaticContact CE1-CG 3.73Å; F94-F222 HydrophobicContact CE1-CG 3.73Å; F94-F222 AromaticContact CE2-CD1 3.79Å; F94-F222 HydrophobicContact CE2-CD1 3.79Å; F94-F222 AromaticContact CE2-CD2 3.87Å; F94-F222 HydrophobicContact CE2-CD2 3.87Å; F94-F222 AromaticContact CE2-CE1 3.69Å; F94-F222 HydrophobicContact CE2-CE1 3.69Å; F94-F222 AromaticContact CE2-CE2 3.77Å; F94-F222 HydrophobicContact CE2-CE2 3.77Å; F94-F222 AromaticContact CE2-CG 3.87Å; F94-F222 HydrophobicContact CE2-CG 3.87Å; F94-F222 AromaticContact CE2-CZ 3.68Å; F94-F222 HydrophobicContact CE2-CZ 3.68Å; F94-F222 HydrophobicContact CG-CB 3.46Å; F94-F222 VanDerWaalsContact CG-CB 3.46Å; F94-F222 AromaticContact CG-CD1 3.61Å; F94-F222 HydrophobicContact CG-CD1 3.61Å; F94-F222 HydrophobicContact CG-CD2 4.09Å; F94-F222 HydrophobicContact CG-CE1 4.34Å; F94-F222 AromaticContact CG-CG 3.45Å; F94-F222 HydrophobicContact CG-CG 3.45Å; F94-F222 VanDerWaalsContact CG-CG 3.45Å; F94-F222 HydrophobicContact CZ-CD1 4.28Å; F94-F222 AromaticContact CZ-CD2 3.52Å; F94-F222 HydrophobicContact CZ-CD2 3.52Å; F94-F222 HydrophobicContact CZ-CE1 4.32Å; F94-F222 AromaticContact CZ-CE2 3.56Å; F94-F222 HydrophobicContact CZ-CE2 3.56Å; F94-F222 AromaticContact CZ-CG 3.89Å; F94-F222 HydrophobicContact CZ-CG 3.89Å; F94-F222 AromaticContact CZ-CZ 3.98Å; F94-F222 HydrophobicContact CZ-CZ 3.98Å; D218-F222 HydrophobicContact CB-CD2 3.96Å; D218-F222 HydrophobicContact CB-CE2 4.11Å; P219-F222 VanDerWaalsContact O-CA 3.26Å; P219-F222 WeakPolarHBondContact O-CA 3.36Å; P219-F222 PolarHBondContact O-N 2.85Å; F222-A251 HydrophobicContact CD1-CB 3.76Å; F222-A251 HydrophobicContact CE1-CB 4.04Å; F222-Y269 HydrophobicContact CZ-CE1 4.17Å
223L96.9Very high95.2Very high25 Ų2545.3 Ų45.313%0.13125%0.248CC..SBendtrans-143.1116.9175.9179.661.5000109T38 L41 L42 Q227 V228 A248 V271 F273T38-L223 HydrophobicContact CG2-CD1 4.45Å; L41-L223 HydrophobicContact CD2-CB 4.32Å; L41-L223 HydrophobicContact CD2-CD1 4.32Å; L41-L223 HydrophobicContact CD2-CD2 3.92Å; L41-L223 HydrophobicContact CD2-CG 4.42Å; L42-L223 HydrophobicContact CD2-CD1 3.7Å; L42-L223 HydrophobicContact CG-CD1 4.26Å; L223-Q227 HydrophobicContact CD1-CB 3.91Å; L223-V228 HydrophobicContact CD1-CG2 4.16Å; L223-V228 HydrophobicContact CD2-CG2 4.03Å; L223-V228 HydrophobicContact CG-CG2 3.97Å; L223-A248 HydrophobicContact CD2-CB 3.63Å; L223-A248 HydrophobicContact CG-CB 4.3Å; L223-V271 HydrophobicContact CD2-CG1 3.94Å; L223-F273 HydrophobicContact CD2-CE1 4.45Å
224T95.8Very high95.1Very high44 Ų4445.9 Ų45.927%0.2726%0.264SS..  trans-90.7154.1-178.2610000112.1P221 R226 Q227 V228P221-T224 HydrophobicContact CG-CG2 3.54Å; T224-R226 PolarHBondContact O-N 2.89Å; T224-Q227 PolarHBondContact O-N 2.77Å; T224-Q227 VanDerWaalsContact O-N 3.09Å; T224-Q227 WeakPolarHBondContact OG1-CB 3.47Å; T224-Q227 VanDerWaalsContact OG1-CG 3.24Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.44Å; T224-Q227 PolarHBondContact OG1-N 3Å; T224-Q227 VanDerWaalsContact OG1-N 3.08Å; T224-Q227 PolarHBondContact OG1-OE1 3.43Å; T224-V228 WeakPolarHBondContact O-CG2 3.34Å; T224-V228 PolarHBondContact O-N 3.19Å; T224-V228 VanDerWaalsContact O-N 3.08Å
225A95.4Very high95Very high61 Ų6144.9 Ų44.950%0.50426%0.26SS..Hα-helixtrans-55.7-36.8170.800000112.1V228 Q229A225-V228 PolarHBondContact O-N 3.04Å; A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 2.83Å
226R96.3Very high95Very high173 Ų17344.1 Ų44.165%0.65325%0.25SS*.Hα-helixtrans-61-45.8174.7-179.9177.1173167.32112.3T224 V228 Q229 E230T224-R226 PolarHBondContact O-N 2.89Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.31Å; R226-Q229 WeakPolarHBondContact O-CB 3.49Å; R226-Q229 PolarHBondContact O-N 2.75Å; R226-E230 HydrophobicContact CG-CG 4.4Å; R226-E230 IonicContact CZ-OE1 3.48Å; R226-E230 IonicContact NE-OE1 3.13Å; R226-E230 PolarHBondContact NE-OE1 3.35Å; R226-E230 IonicContact NH2-OE1 3.76Å; R226-E230 PolarHBondContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CB 3.43Å; R226-E230 WeakPolarHBondContact O-CG 3.5Å; R226-E230 PolarHBondContact O-N 2.87Å
227Q97.6Very high94.9Very high47 Ų4751.3 Ų51.322%0.2228%0.283CS..Hα-helixtrans-64.5-35.8176.9-76.4164.3-50.300112.1L42 L223 T224 E230 L231L42-Q227 HydrophobicContact CD1-CB 4.17Å; L42-Q227 HydrophobicContact CD1-CG 4.3Å; L223-Q227 HydrophobicContact CD1-CB 3.91Å; T224-Q227 PolarHBondContact O-N 2.77Å; T224-Q227 VanDerWaalsContact O-N 3.09Å; T224-Q227 WeakPolarHBondContact OG1-CB 3.47Å; T224-Q227 VanDerWaalsContact OG1-CG 3.24Å; T224-Q227 WeakPolarHBondContact OG1-CG 3.44Å; T224-Q227 PolarHBondContact OG1-N 3Å; T224-Q227 VanDerWaalsContact OG1-N 3.08Å; T224-Q227 PolarHBondContact OG1-OE1 3.43Å; Q227-E230 PolarHBondContact O-N 2.92Å; Q227-L231 WeakPolarHBondContact O-CB 3.44Å; Q227-L231 PolarHBondContact O-N 2.88Å
228V97.7Very high95Very high1 Ų148 Ų481%0.00626%0.26CS..Hα-helixtrans-64.1-45.5173.2178.20000110.8L223 T224 A225 R226 L231 L232 W246 A248 F273L223-V228 HydrophobicContact CD1-CG2 4.16Å; L223-V228 HydrophobicContact CD2-CG2 4.03Å; L223-V228 HydrophobicContact CG-CG2 3.97Å; T224-V228 WeakPolarHBondContact O-CG2 3.34Å; T224-V228 PolarHBondContact O-N 3.19Å; T224-V228 VanDerWaalsContact O-N 3.08Å; A225-V228 PolarHBondContact O-N 3.04Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.31Å; V228-L231 WeakPolarHBondContact O-CB 3.36Å; V228-L231 PolarHBondContact O-N 2.79Å; V228-L232 HydrophobicContact CG1-CD1 4.32Å; V228-L232 WeakPolarHBondContact O-CG 3.4Å; V228-L232 PolarHBondContact O-N 2.73Å; V228-W246 HydrophobicContact CG1-CB 4.29Å; V228-A248 HydrophobicContact CG2-CB 4.46Å; V228-F273 HydrophobicContact CB-CE1 4.46Å; V228-F273 HydrophobicContact CG1-CD1 3.87Å; V228-F273 HydrophobicContact CG1-CE1 3.8Å; V228-F273 HydrophobicContact CG2-CD1 4.34Å; V228-F273 HydrophobicContact CG2-CE1 3.81Å
229Q97.1Very high95Very high48 Ų4852.3 Ų52.322%0.22428%0.284CS..Hα-helixtrans-61.2-45175.6-178.9-178.14.500111.8A225 R226 L231 L232 T233 D240 A243A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 2.83Å; R226-Q229 WeakPolarHBondContact O-CB 3.49Å; R226-Q229 PolarHBondContact O-N 2.75Å; Q229-L231 VanDerWaalsContact C-N 3.35Å; Q229-L231 PolarHBondContact O-N 3.38Å; Q229-L232 PolarHBondContact O-N 2.79Å; Q229-T233 HydrophobicContact CG-CG2 4.23Å; Q229-T233 WeakPolarHBondContact O-CB 3.46Å; Q229-T233 WeakPolarHBondContact O-CG2 3.23Å; Q229-T233 PolarHBondContact O-N 2.85Å; Q229-T233 PolarHBondContact O-OG1 2.73Å; Q229-D240 VanDerWaalsContact NE2-CG 3.34Å; Q229-D240 PolarHBondContact NE2-OD1 2.84Å; Q229-D240 PolarHBondContact NE2-OD2 2.99Å; Q229-A243 HydrophobicContact CG-CB 4.08Å
230E97.1Very high95.1Very high91 Ų9154.4 Ų54.443%0.42529%0.293SS..Hα-helixtrans-63.8-37.5177.2-74.4173.1-179.800112R226 Q227 T233 G234R226-E230 HydrophobicContact CG-CG 4.4Å; R226-E230 IonicContact CZ-OE1 3.48Å; R226-E230 IonicContact NE-OE1 3.13Å; R226-E230 PolarHBondContact NE-OE1 3.35Å; R226-E230 IonicContact NH2-OE1 3.76Å; R226-E230 PolarHBondContact NH2-OE1 2.79Å; R226-E230 WeakPolarHBondContact O-CB 3.43Å; R226-E230 WeakPolarHBondContact O-CG 3.5Å; R226-E230 PolarHBondContact O-N 2.87Å; Q227-E230 PolarHBondContact O-N 2.92Å; E230-T233 WeakPolarHBondContact CA-OG1 3.45Å; E230-G234 WeakPolarHBondContact O-CA 3.33Å; E230-G234 PolarHBondContact O-N 3.1Å
231L96.8Very high95.2Very high11 Ų1155.1 Ų55.16%0.05830%0.297CS..Hα-helixtrans-59.8-50.7172.1172.166.8000111L42 V45 K46 L49 Q227 V228 Q229 C235 F236L42-L231 HydrophobicContact CD2-CB 4.42Å; L42-L231 HydrophobicContact CD2-CD2 4.25Å; V45-L231 HydrophobicContact CG1-CD2 3.75Å; K46-L231 HydrophobicContact CB-CD1 3.8Å; K46-L231 HydrophobicContact CG-CD1 4.35Å; L49-L231 HydrophobicContact CD1-CD2 4.31Å; Q227-L231 WeakPolarHBondContact O-CB 3.44Å; Q227-L231 PolarHBondContact O-N 2.88Å; V228-L231 WeakPolarHBondContact O-CB 3.36Å; V228-L231 PolarHBondContact O-N 2.79Å; Q229-L231 VanDerWaalsContact C-N 3.35Å; Q229-L231 PolarHBondContact O-N 3.38Å; L231-C235 HydrophobicContact CD1-CB 4.35Å; L231-C235 WeakPolarHBondContact O-CB 3.5Å; L231-C235 PolarHBondContact O-N 3.12Å; L231-F236 HydrophobicContact CD1-CE2 4.04Å; L231-F236 HydrophobicContact CG-CE2 4.35Å; L231-F236 WeakPolarHBondContact O-CD2 3.37Å
232L96.4Very high95.3Very high2 Ų253.2 Ų53.21%0.0128%0.284CS..Hα-helixtrans-68.2-48.4-177.1-66.3177.9000112.3F6 L10 V228 Q229 F236 H237 I238 A243 W246F6-L232 HydrophobicContact CE1-CD2 3.77Å; F6-L232 HydrophobicContact CZ-CD2 3.82Å; L10-L232 HydrophobicContact CD1-CD1 4.47Å; L10-L232 HydrophobicContact CD1-CD2 4.18Å; V228-L232 HydrophobicContact CG1-CD1 4.32Å; V228-L232 WeakPolarHBondContact O-CG 3.4Å; V228-L232 PolarHBondContact O-N 2.73Å; Q229-L232 PolarHBondContact O-N 2.79Å; L232-F236 CarbonylContact O-C 3.59Å; L232-F236 WeakPolarHBondContact O-CA 3.31Å; L232-F236 WeakPolarHBondContact O-CB 3.46Å; L232-F236 PolarHBondContact O-N 3.12Å; L232-H237 PolarHBondContact O-N 3.29Å; L232-I238 HydrophobicContact CB-CB 4.11Å; L232-I238 HydrophobicContact CB-CG1 4.09Å; L232-I238 WeakPolarHBondContact O-CG1 3.34Å; L232-I238 PolarHBondContact O-N 3.46Å; L232-I238 VanDerWaalsContact O-N 3.16Å; L232-A243 HydrophobicContact CB-CB 3.89Å; L232-A243 HydrophobicContact CD1-CB 4.24Å; L232-W246 HydrophobicContact CD1-CB 3.94Å; L232-W246 HydrophobicContact CD1-CG 4.2Å
233T96Very high95.2Very high41 Ų4152.9 Ų52.925%0.25228%0.282SS..Hα-helixtrans-70.1-46.6-179.454.30000111.7Q229 E230 H237 I238 A243Q229-T233 HydrophobicContact CG-CG2 4.23Å; Q229-T233 WeakPolarHBondContact O-CB 3.46Å; Q229-T233 WeakPolarHBondContact O-CG2 3.23Å; Q229-T233 PolarHBondContact O-N 2.85Å; Q229-T233 PolarHBondContact O-OG1 2.73Å; E230-T233 WeakPolarHBondContact CA-OG1 3.45Å; T233-H237 VanDerWaalsContact O-CA 3.26Å; T233-H237 WeakPolarHBondContact O-CA 3.11Å; T233-H237 PolarHBondContact O-N 3.22Å; T233-I238 WeakPolarHBondContact CG2-O 3.22Å; T233-A243 HydrophobicContact CG2-CB 3.58Å
234G93.1Very high95.2Very high54 Ų5456.3 Ų56.356%0.55730%0.296SS*.Hα-helixtrans-78.8-38.8-172.700000114.3E230E230-G234 WeakPolarHBondContact O-CA 3.33Å; E230-G234 PolarHBondContact O-N 3.1Å
235C92.1Very high95.2Very high46 Ų4659 Ų5931%0.31130%0.302SS..Hα-helixtrans-95.9-29.5-177-57.30000113.1K46 L231K46-C235 HydrophobicContact CD-CB 4.25Å; K46-C235 HydrophobicContact CG-CB 4.19Å; L231-C235 HydrophobicContact CD1-CB 4.35Å; L231-C235 WeakPolarHBondContact O-CB 3.5Å; L231-C235 PolarHBondContact O-N 3.12Å
236F92.3Very high95.3Very high20 Ų2056.3 Ų56.39%0.08828%0.278CS..Hα-helixtrans-116.61.7-174-60.5-78.5000113.8F6 K46 L49 E50 L231 L232 I238F6-F236 HydrophobicContact CD1-CB 3.9Å; F6-F236 AromaticContact CD1-CD1 4Å; F6-F236 HydrophobicContact CD1-CD1 4Å; F6-F236 AromaticContact CD1-CG 3.93Å; F6-F236 HydrophobicContact CD1-CG 3.93Å; F6-F236 HydrophobicContact CE1-CB 3.98Å; F6-F236 HydrophobicContact CE1-CD1 4.11Å; F6-F236 HydrophobicContact CE1-CD2 4.06Å; F6-F236 AromaticContact CE1-CG 3.76Å; F6-F236 HydrophobicContact CE1-CG 3.76Å; K46-F236 HydrophobicContact CG-CE2 4.46Å; K46-F236 HydrophobicContact CG-CZ 4.27Å; L49-F236 HydrophobicContact CB-CE1 3.83Å; L49-F236 HydrophobicContact CB-CE2 3.85Å; L49-F236 HydrophobicContact CB-CZ 3.28Å; L49-F236 HydrophobicContact CD1-CE2 3.96Å; L49-F236 HydrophobicContact CD1-CZ 4.27Å; L49-F236 HydrophobicContact CG-CZ 4.42Å; E50-F236 HydrophobicContact CB-CE1 4.45Å; E50-F236 HydrophobicContact CG-CE1 3.77Å; E50-F236 HydrophobicContact CG-CZ 3.94Å; L231-F236 HydrophobicContact CD1-CE2 4.04Å; L231-F236 HydrophobicContact CG-CE2 4.35Å; L231-F236 WeakPolarHBondContact O-CD2 3.37Å; L232-F236 CarbonylContact O-C 3.59Å; L232-F236 WeakPolarHBondContact O-CA 3.31Å; L232-F236 WeakPolarHBondContact O-CB 3.46Å; L232-F236 PolarHBondContact O-N 3.12Å; F236-I238 HydrophobicContact CB-CD1 4.24Å; F236-I238 HydrophobicContact CB-CG1 3.87Å; F236-I238 PolarHBondContact O-N 3.41Å; F236-I238 VanDerWaalsContact O-N 3.16Å
237H92.5Very high95.4Very high162 Ų16251.2 Ų51.275%0.7526%0.261SS*.  trans55.129.2179.9-48100.4000113.5L232 T233L232-H237 PolarHBondContact O-N 3.29Å; T233-H237 VanDerWaalsContact O-CA 3.26Å; T233-H237 WeakPolarHBondContact O-CA 3.11Å; T233-H237 PolarHBondContact O-N 3.22Å
238I94.1Very high95.4Very high5 Ų549.5 Ų49.53%0.02625%0.254CS..  trans-68.2139.2174.7-55.4-56.8000108.8F6 T7 L10 L232 T233 F236 V242 A243F6-I238 HydrophobicContact CD1-CD1 3.86Å; F6-I238 HydrophobicContact CD1-CG1 4.34Å; F6-I238 HydrophobicContact CE1-CD1 4.37Å; F6-I238 HydrophobicContact CE1-CG1 4.39Å; T7-I238 WeakPolarHBondContact OG1-CD1 3.32Å; L10-I238 HydrophobicContact CD1-CD1 3.9Å; L10-I238 HydrophobicContact CD1-CG1 3.88Å; L10-I238 HydrophobicContact CD1-CG2 4.02Å; L232-I238 HydrophobicContact CB-CB 4.11Å; L232-I238 HydrophobicContact CB-CG1 4.09Å; L232-I238 WeakPolarHBondContact O-CG1 3.34Å; L232-I238 PolarHBondContact O-N 3.46Å; L232-I238 VanDerWaalsContact O-N 3.16Å; T233-I238 WeakPolarHBondContact CG2-O 3.22Å; F236-I238 HydrophobicContact CB-CD1 4.24Å; F236-I238 HydrophobicContact CB-CG1 3.87Å; F236-I238 PolarHBondContact O-N 3.41Å; F236-I238 VanDerWaalsContact O-N 3.16Å; I238-V242 HydrophobicContact CG2-CB 3.89Å; I238-V242 HydrophobicContact CG2-CG1 3.9Å; I238-A243 HydrophobicContact CG2-CB 4.13Å
239D94.3Very high95.4Very high96 Ų9650.2 Ų50.251%0.51326%0.259SS..  trans-59.6141.1175.8-172.3-85.7000111.4E241 V242 A243D239-E241 PolarHBondContact O-N 3.27Å; D239-E241 WeakPolarHBondContact OD1-CB 3.42Å; D239-E241 PolarHBondContact OD1-N 3.29Å; D239-V242 HydrophobicContact CB-CG2 4.46Å; D239-V242 PolarHBondContact O-N 3.35Å; D239-A243 WeakPolarHBondContact O-CB 3.49Å; D239-A243 PolarHBondContact O-N 3.27Å
240D95.2Very high95.4Very high76 Ų7648 Ų4841%0.40625%0.249SC..Hα-helixtrans-57.4-37-177.4-162.770.4000112.5Q229 V242 A243 K244Q229-D240 VanDerWaalsContact NE2-CG 3.34Å; Q229-D240 PolarHBondContact NE2-OD1 2.84Å; Q229-D240 PolarHBondContact NE2-OD2 2.99Å; D240-V242 VanDerWaalsContact C-N 3.25Å; D240-V242 PolarHBondContact O-N 3.42Å; D240-A243 PolarHBondContact O-N 2.68Å; D240-K244 WeakPolarHBondContact O-CB 3.36Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.91Å
241E93.4Very high95.5Very high92 Ų9243.8 Ų43.843%0.4323%0.229SC..Hα-helixtrans-67.1-27.3-180-66.5-62.7125.100113D239 K244 R245D239-E241 PolarHBondContact O-N 3.27Å; D239-E241 WeakPolarHBondContact OD1-CB 3.42Å; D239-E241 PolarHBondContact OD1-N 3.29Å; E241-K244 IonicContact OE1-NZ 2.7Å; E241-K244 PolarHBondContact OE1-NZ 3.11Å; E241-K244 VanDerWaalsContact OE2-CE 3.22Å; E241-K244 WeakPolarHBondContact OE2-CE 3.28Å; E241-K244 IonicContact OE2-NZ 3.77Å; E241-K244 PolarHBondContact OE2-NZ 3.09Å; E241-R245 WeakPolarHBondContact O-CG 3.5Å; E241-R245 PolarHBondContact O-NE 2.9Å
242V94.4Very high95.5Very high16 Ų1643.3 Ų43.310%0.09723%0.226CC..Hα-helixtrans-85-49.5173.5179.20000109.4L10 I238 D239 D240 K244 R245 W246L10-V242 HydrophobicContact CB-CG1 4Å; I238-V242 HydrophobicContact CG2-CB 3.89Å; I238-V242 HydrophobicContact CG2-CG1 3.9Å; D239-V242 HydrophobicContact CB-CG2 4.46Å; D239-V242 PolarHBondContact O-N 3.35Å; D240-V242 VanDerWaalsContact C-N 3.25Å; D240-V242 PolarHBondContact O-N 3.42Å; V242-K244 PolarHBondContact O-N 3.28Å; V242-R245 WeakPolarHBondContact O-CB 3.26Å; V242-R245 PolarHBondContact O-N 3.03Å; V242-R245 VanDerWaalsContact O-N 3.15Å; V242-W246 VanDerWaalsContact O-CD1 3.25Å
243A95.7Very high95.6Very high0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-60.6-41.5-174.500000113.1Q229 L232 T233 I238 D239 D240 R245 W246Q229-A243 HydrophobicContact CG-CB 4.08Å; L232-A243 HydrophobicContact CB-CB 3.89Å; L232-A243 HydrophobicContact CD1-CB 4.24Å; T233-A243 HydrophobicContact CG2-CB 3.58Å; I238-A243 HydrophobicContact CG2-CB 4.13Å; D239-A243 WeakPolarHBondContact O-CB 3.49Å; D239-A243 PolarHBondContact O-N 3.27Å; D240-A243 PolarHBondContact O-N 2.68Å; A243-R245 PolarHBondContact O-N 2.73Å; A243-R245 VanDerWaalsContact O-N 3.11Å; A243-W246 PolarHBondContact O-N 2.85Å; A243-W246 VanDerWaalsContact O-N 3.09Å
244K95.9Very high95.7Very high96 Ų9642.9 Ų42.942%0.41722%0.22SC..THydrogen-bonded Turntrans-64.6-15.1179.775.8-172.4-176.3-173.20114.4D240 E241 V242 W246D240-K244 WeakPolarHBondContact O-CB 3.36Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.4Å; D240-K244 PolarHBondContact O-N 2.91Å; E241-K244 IonicContact OE1-NZ 2.7Å; E241-K244 PolarHBondContact OE1-NZ 3.11Å; E241-K244 VanDerWaalsContact OE2-CE 3.22Å; E241-K244 WeakPolarHBondContact OE2-CE 3.28Å; E241-K244 IonicContact OE2-NZ 3.77Å; E241-K244 PolarHBondContact OE2-NZ 3.09Å; V242-K244 PolarHBondContact O-N 3.28Å; K244-W246 VanDerWaalsContact C-N 3.26Å
245R96.5Very high95.8Very high102 Ų10241.1 Ų41.139%0.38520%0.199SC..THydrogen-bonded Turntrans-84.10.2176.9-57.8179.4-164.4-173.30.2112.4E241 V242 A243 K275 T276E241-R245 WeakPolarHBondContact O-CG 3.5Å; E241-R245 PolarHBondContact O-NE 2.9Å; V242-R245 WeakPolarHBondContact O-CB 3.26Å; V242-R245 PolarHBondContact O-N 3.03Å; V242-R245 VanDerWaalsContact O-N 3.15Å; A243-R245 PolarHBondContact O-N 2.73Å; A243-R245 VanDerWaalsContact O-N 3.11Å; R245-K275 HydrophobicContact CB-CG 4.11Å; R245-K275 CarbonylContact O-C 3.53Å; R245-K275 WeakPolarHBondContact O-CA 3.14Å; R245-T276 WeakPolarHBondContact CA-OG1 3.44Å; R245-T276 PolarHBondContact O-N 2.88Å; R245-T276 PolarHBondContact O-OG1 3.26Å; R245-T276 VanDerWaalsContact O-OG1 3.09Å
246W97.6Very high96Very high3 Ų339 Ų391%0.01118%0.184CC..EExtended strand (participates in β ladder)trans-111.5132.7-177.3-7191.9000111.1L10 S13 F16 V228 L232 V242 A243 K244 F273 V274 K275L10-W246 HydrophobicContact CB-CZ2 4.16Å; L10-W246 HydrophobicContact CD2-CD2 4.23Å; L10-W246 HydrophobicContact CD2-CH2 4.25Å; L10-W246 HydrophobicContact CD2-CZ2 3.68Å; L10-W246 WeakPolarHBondContact O-CZ2 3.36Å; S13-W246 WeakPolarHBondContact O-CZ2 3.49Å; F16-W246 AromaticContact CD1-CE3 3.96Å; F16-W246 HydrophobicContact CD1-CE3 3.96Å; F16-W246 AromaticContact CD1-CH2 3.69Å; F16-W246 HydrophobicContact CD1-CH2 3.69Å; F16-W246 AromaticContact CD1-CZ3 3.34Å; F16-W246 HydrophobicContact CD1-CZ3 3.34Å; F16-W246 HydrophobicContact CE1-CD2 4.13Å; F16-W246 AromaticContact CE1-CE3 3.56Å; F16-W246 HydrophobicContact CE1-CE3 3.56Å; F16-W246 AromaticContact CE1-CH2 3.97Å; F16-W246 HydrophobicContact CE1-CH2 3.97Å; F16-W246 AromaticContact CE1-CZ3 3.46Å; F16-W246 HydrophobicContact CE1-CZ3 3.46Å; F16-W246 VanDerWaalsContact CE1-CZ3 3.46Å; V228-W246 HydrophobicContact CG1-CB 4.29Å; L232-W246 HydrophobicContact CD1-CB 3.94Å; L232-W246 HydrophobicContact CD1-CG 4.2Å; V242-W246 VanDerWaalsContact O-CD1 3.25Å; A243-W246 PolarHBondContact O-N 2.85Å; A243-W246 VanDerWaalsContact O-N 3.09Å; K244-W246 VanDerWaalsContact C-N 3.26Å; W246-F273 HydrophobicContact CE3-CB 4Å; W246-F273 HydrophobicContact CZ3-CB 4.31Å; W246-V274 WeakPolarHBondContact CA-O 3.18Å; W246-V274 VanDerWaalsContact CE3-C 3.44Å; W246-K275 HydrophobicContact CD2-CB 4.29Å; W246-K275 HydrophobicContact CE3-CB 4.32Å; W246-K275 HydrophobicContact CH2-CB 4.11Å; W246-K275 HydrophobicContact CZ2-CB 4.04Å; W246-K275 HydrophobicContact CZ2-CD 4.04Å; W246-K275 HydrophobicContact CZ2-CG 4.32Å; W246-K275 HydrophobicContact CZ3-CB 4.25Å
247K97Very high96.1Very high66 Ų6640.6 Ų40.629%0.28719%0.194SC..EExtended strand (participates in β ladder)trans-133159.7172.270.9174.5-176.8167.10110.6F273 V274 T276K247-F273 CarbonylContact O-C 3.6Å; K247-F273 VanDerWaalsContact O-CA 3.27Å; K247-F273 WeakPolarHBondContact O-CA 3.32Å; K247-V274 HydrophobicContact CG-CG2 3.85Å; K247-V274 PolarHBondContact N-O 3.18Å; K247-V274 PolarHBondContact O-N 2.67Å; K247-T276 HydrophobicContact CB-CG2 4.43Å; K247-T276 HydrophobicContact CD-CG2 3.63Å; K247-T276 HydrophobicContact CG-CG2 3.74Å
248A98Very high96.1Very high11 Ų1136.3 Ų36.39%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-85.9129.916700000109.9S96 L223 V228 V271 H272 F273S96-A248 WeakPolarHBondContact CB-O 3.5Å; L223-A248 HydrophobicContact CD2-CB 3.63Å; L223-A248 HydrophobicContact CG-CB 4.3Å; V228-A248 HydrophobicContact CG2-CB 4.46Å; A248-V271 HydrophobicContact CB-CG1 3.83Å; A248-H272 CarbonylContact C-O 3.59Å; A248-H272 VanDerWaalsContact CA-O 3.31Å; A248-H272 WeakPolarHBondContact CA-O 3.25Å; A248-F273 HydrophobicContact CB-CD1 4.28Å; A248-F273 HydrophobicContact CB-CE1 4.26Å
249V97.1Very high96Very high16 Ų1640.1 Ų40.110%0.09719%0.19CC..EExtended strand (participates in β ladder)trans-77.6-41171.1178.30000110.1S96 A102 H272 V274S96-V249 WeakPolarHBondContact CB-O 3.36Å; S96-V249 PolarHBondContact N-O 2.85Å; S96-V249 PolarHBondContact OG-O 3.16Å; S96-V249 VanDerWaalsContact OG-O 3.06Å; A102-V249 HydrophobicContact CB-CG1 4Å; V249-H272 PolarHBondContact N-O 3.48Å; V249-V274 HydrophobicContact CG2-CB 3.96Å; V249-V274 HydrophobicContact CG2-CG1 3.39Å; V249-V274 HydrophobicContact CG2-CG2 3.34Å
250Y98.2Very high95.9Very high3 Ų341.5 Ų41.51%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-147154.1170.167.4-94000110.5L93 F94 A102 E105 C106 C252 F270 H272L93-Y250 HydrophobicContact CD1-CD2 3.87Å; L93-Y250 HydrophobicContact CD1-CG 4.21Å; F94-Y250 CarbonylContact O-C 3.59Å; F94-Y250 VanDerWaalsContact O-CA 3.24Å; F94-Y250 WeakPolarHBondContact O-CA 3.38Å; A102-Y250 HydrophobicContact CB-CD1 3.73Å; A102-Y250 HydrophobicContact CB-CE1 4.45Å; A102-Y250 HydrophobicContact CB-CG 4.44Å; E105-Y250 HydrophobicContact CB-CE1 4.47Å; C106-Y250 HydrophobicContact CB-CD2 4.16Å; C106-Y250 HydrophobicContact CB-CE2 3.76Å; Y250-C252 HydrophobicContact CD2-CB 4.23Å; Y250-C252 HydrophobicContact CE2-CB 4.37Å; Y250-F270 HydrophobicContact CE2-CB 4.35Å; Y250-H272 HydrophobicContact CD1-CB 3.8Å; Y250-H272 HydrophobicContact CE1-CB 3.32Å; Y250-H272 AromaticContact CE1-CG 3.92Å; Y250-H272 AromaticContact CE1-ND1 3.59Å; Y250-H272 HydrophobicContact CE2-CB 4.26Å; Y250-H272 HydrophobicContact CG-CB 4.46Å; Y250-H272 PolarHBondContact O-N 3.26Å
251A98.4Very high95.7Very high2 Ų241.4 Ų41.42%0.01721%0.208CC..EExtended strand (participates in β ladder)trans-117.1140.7156.900000108L41 F94 F222 F270 V271L41-A251 HydrophobicContact CD2-CB 4.28Å; F94-A251 WeakPolarHBondContact CA-O 3.45Å; F94-A251 HydrophobicContact CB-CB 4.45Å; F94-A251 WeakPolarHBondContact CB-O 3.35Å; F94-A251 WeakPolarHBondContact CD2-O 3.3Å; F94-A251 PolarHBondContact N-O 3.16Å; F94-A251 PolarHBondContact O-N 2.92Å; F222-A251 HydrophobicContact CD1-CB 3.76Å; F222-A251 HydrophobicContact CE1-CB 4.04Å; A251-F270 CarbonylContact C-O 3.59Å; A251-F270 WeakPolarHBondContact CA-O 3.38Å; A251-V271 HydrophobicContact CB-CG2 4.28Å
252C98Very high95.4Very high0 Ų041.5 Ų41.50%022%0.219CC..EExtended strand (participates in β ladder)trans-124.4136-179.91660000108.5K92 L93 C106 Y250 Y269 F270K92-C252 WeakPolarHBondContact O-CA 3.49Å; L93-C252 HydrophobicContact CD1-CB 3.86Å; C106-C252 WeakPolarHBondContact SG-CB 3.43Å; C106-C252 PolarHBondContact SG-SG 3.18Å; Y250-C252 HydrophobicContact CD2-CB 4.23Å; Y250-C252 HydrophobicContact CE2-CB 4.37Å; C252-Y269 CarbonylContact O-C 3.5Å; C252-Y269 WeakPolarHBondContact O-CA 3.4Å; C252-Y269 WeakPolarHBondContact O-CB 3.46Å; C252-Y269 WeakPolarHBondContact O-CD1 3.32Å; C252-F270 HydrophobicContact CB-CB 4.2Å; C252-F270 PolarHBondContact N-O 2.99Å; C252-F270 PolarHBondContact O-N 3.24Å
253R97.9Very high95.3Very high32 Ų3244.6 Ų44.612%0.12124%0.238CC..EExtended strand (participates in β ladder)trans-110.3123.9163.8-176.1169.759.1-145.1-4.8108.8V91 K92 F94 D218 Q267 G268 Y269V91-R253 CarbonylContact C-O 3.56Å; V91-R253 WeakPolarHBondContact CA-O 3.27Å; K92-R253 PolarHBondContact N-O 2.93Å; K92-R253 PolarHBondContact O-N 2.94Å; F94-R253 HydrophobicContact CE2-CB 4.36Å; D218-R253 VanDerWaalsContact CG-NH2 3.34Å; D218-R253 IonicContact OD1-CZ 2.6Å; D218-R253 VanDerWaalsContact OD1-CZ 3.31Å; D218-R253 IonicContact OD1-NH1 3.68Å; D218-R253 PolarHBondContact OD1-NH1 2.96Å; D218-R253 IonicContact OD1-NH2 3.49Å; D218-R253 PolarHBondContact OD1-NH2 2.78Å; D218-R253 IonicContact OD2-CZ 2.66Å; D218-R253 IonicContact OD2-NH2 2.74Å; D218-R253 PolarHBondContact OD2-NH2 3.26Å; R253-Q267 HydrophobicContact CG-CG 4.3Å; R253-G268 WeakPolarHBondContact CA-O 3.45Å; R253-Y269 HydrophobicContact CB-CD1 3.76Å; R253-Y269 HydrophobicContact CB-CE1 3.6Å; R253-Y269 HydrophobicContact CG-CD1 4.05Å; R253-Y269 HydrophobicContact CG-CE1 3.6Å
254Y97.4Very high95.1Very high2 Ų248.3 Ų48.31%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-111.2136170.261.1-84.2000109.8G21 S90 V110 L114 L266 Q267 G268 F270G21-Y254 WeakPolarHBondContact CA-OH 3.37Å; G21-Y254 PolarHBondContact O-OH 3.23Å; S90-Y254 CarbonylContact O-C 3.54Å; S90-Y254 WeakPolarHBondContact O-CA 3.26Å; V110-Y254 HydrophobicContact CG1-CG 4.5Å; V110-Y254 HydrophobicContact CG2-CD1 4.39Å; V110-Y254 HydrophobicContact CG2-CG 4.48Å; L114-Y254 HydrophobicContact CD1-CD2 4.14Å; L114-Y254 HydrophobicContact CD2-CD2 3.91Å; L114-Y254 HydrophobicContact CD2-CE2 3.83Å; L114-Y254 HydrophobicContact CG-CD2 4.27Å; L114-Y254 HydrophobicContact CG-CE2 4.5Å; Y254-L266 HydrophobicContact CD2-CD2 3.86Å; Y254-L266 HydrophobicContact CE2-CD2 3.53Å; Y254-Q267 CarbonylContact O-C 3.59Å; Y254-Q267 WeakPolarHBondContact O-CA 3.42Å; Y254-G268 VanDerWaalsContact CD1-C 3.47Å; Y254-G268 VanDerWaalsContact CD1-O 3.25Å; Y254-G268 WeakPolarHBondContact CD1-O 3.18Å; Y254-G268 WeakPolarHBondContact CE1-O 3.44Å; Y254-G268 VanDerWaalsContact CZ-CA 3.48Å; Y254-G268 PolarHBondContact N-O 3.46Å; Y254-G268 PolarHBondContact O-N 3.13Å; Y254-F270 HydrophobicContact CD1-CE1 4.19Å; Y254-F270 HydrophobicContact CD1-CE2 4.31Å; Y254-F270 HydrophobicContact CD1-CZ 4.06Å; Y254-F270 AromaticContact CE1-CD1 3.82Å; Y254-F270 HydrophobicContact CE1-CD1 3.82Å; Y254-F270 AromaticContact CE1-CE1 3.31Å; Y254-F270 HydrophobicContact CE1-CE1 3.31Å; Y254-F270 HydrophobicContact CE1-CE2 4.19Å; Y254-F270 HydrophobicContact CE1-CG 4.38Å; Y254-F270 AromaticContact CE1-CZ 3.53Å; Y254-F270 HydrophobicContact CE1-CZ 3.53Å; Y254-F270 AromaticContact CZ-CE1 3.81Å; Y254-F270 AromaticContact CZ-CZ 3.98Å
255T95.9Very high94.8Very high18 Ų1845 Ų4511%0.1125%0.247CC..EExtended strand (participates in β ladder)trans-135.2131.1-175.8-55.50000109.1I89 S90 L257 I264 L266 Q267I89-T255 WeakPolarHBondContact CA-O 3.45Å; S90-T255 PolarHBondContact N-O 3.04Å; S90-T255 PolarHBondContact O-N 3.4Å; T255-L257 HydrophobicContact CG2-CD2 4.12Å; T255-L257 HydrophobicContact CG2-CG 4.19Å; T255-I264 HydrophobicContact CG2-CG1 4.06Å; T255-I264 HydrophobicContact CG2-CG2 3.99Å; T255-L266 WeakPolarHBondContact CA-O 3.42Å; T255-Q267 PolarHBondContact OG1-OE1 2.78Å
256V95.4Very high94.6Very high0 Ų040.8 Ų40.80%023%0.232CC..EExtended strand (participates in β ladder)trans-106.1115.4171.3-174.70000108L80 V87 D88 I89 L114 A265 L266L80-V256 HydrophobicContact CD1-CG2 4.15Å; L80-V256 HydrophobicContact CD2-CG1 3.76Å; V87-V256 HydrophobicContact CB-CG1 3.77Å; V87-V256 HydrophobicContact CG1-CG1 4.05Å; V87-V256 HydrophobicContact CG2-CG1 4Å; D88-V256 CarbonylContact O-C 3.58Å; D88-V256 WeakPolarHBondContact O-CA 3.3Å; I89-V256 HydrophobicContact CG1-CG2 4.34Å; L114-V256 HydrophobicContact CD1-CG2 4.18Å; L114-V256 HydrophobicContact CD2-CG2 4.37Å; V256-A265 HydrophobicContact CG1-CB 4.35Å; V256-A265 PolarHBondContact O-N 3.33Å; V256-L266 HydrophobicContact CB-CB 4.03Å; V256-L266 HydrophobicContact CG2-CB 4.08Å; V256-L266 HydrophobicContact CG2-CD2 4.04Å; V256-L266 PolarHBondContact N-O 3.39Å; V256-L266 PolarHBondContact O-N 3.15Å
257L95.1Very high94.4Very high55 Ų5541.9 Ų41.929%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-101.6137.2175.3-66.8175.4000110.2V87 D88 T255 V263 I264V87-L257 CarbonylContact C-O 3.35Å; V87-L257 WeakPolarHBondContact CA-O 3.18Å; V87-L257 WeakPolarHBondContact CB-O 3.12Å; D88-L257 PolarHBondContact N-O 2.93Å; D88-L257 PolarHBondContact O-N 3.4Å; T255-L257 HydrophobicContact CG2-CD2 4.12Å; T255-L257 HydrophobicContact CG2-CG 4.19Å; L257-V263 WeakPolarHBondContact CA-O 3.48Å; L257-I264 HydrophobicContact CD2-CB 4.28Å; L257-I264 HydrophobicContact CD2-CG1 3.51Å
258E93.6Very high94.2Very high72 Ų7238.8 Ų38.834%0.33622%0.224SC..EExtended strand (participates in β ladder)trans-76.2124.4164.2-74-176.5176.200110.2C260 T261 S262 V263 A265E258-C260 PolarHBondContact O-N 2.95Å; E258-T261 WeakPolarHBondContact CB-OG1 3.38Å; E258-T261 PolarHBondContact O-N 3.16Å; E258-T261 PolarHBondContact OE2-OG1 3.22Å; E258-S262 WeakPolarHBondContact O-CA 3.43Å; E258-S262 PolarHBondContact O-N 3.02Å; E258-V263 PolarHBondContact N-O 3.24Å; E258-A265 HydrophobicContact CG-CB 4.18Å
259K91.8Very high94.1Very high85 Ų8538.2 Ų38.237%0.3722%0.22SC..THydrogen-bonded Turntrans-60.5-42.8-176.3-77171.7170.9157.80113.5S85 T86 V87 D88S85-K259 VanDerWaalsContact O-CD 3.29Å; S85-K259 WeakPolarHBondContact O-CD 3.22Å; T86-K259 WeakPolarHBondContact O-CB 3.4Å; T86-K259 PolarHBondContact O-N 3.13Å; V87-K259 WeakPolarHBondContact O-CE 3.37Å; V87-K259 PolarHBondContact O-NZ 2.87Å; D88-K259 WeakPolarHBondContact OD1-CE 3.43Å; D88-K259 IonicContact OD1-NZ 3.41Å; D88-K259 PolarHBondContact OD1-NZ 3.43Å; D88-K259 WeakPolarHBondContact OD2-CE 3.32Å; D88-K259 WeakPolarHBondContact OD2-CG 3.4Å
260C90.8Very high94.1Very high124 Ų12437.5 Ų37.584%0.83822%0.215SC*.THydrogen-bonded Turntrans-73.1-34.4-173.7-64.80000112.7E258E258-C260 PolarHBondContact O-N 2.95Å
261T90.8Very high94Very high74 Ų7437.4 Ų37.445%0.45422%0.215SC..THydrogen-bonded Turntrans-105.1-15.7-173.360.20000112.2E258 V263E258-T261 WeakPolarHBondContact CB-OG1 3.38Å; E258-T261 PolarHBondContact O-N 3.16Å; E258-T261 PolarHBondContact OE2-OG1 3.22Å; T261-V263 PolarHBondContact O-N 2.86Å; T261-V263 PolarHBondContact OG1-N 2.85Å
262S88.8Confident94Very high95 Ų9537.8 Ų37.866%0.66422%0.216SC*.  trans54.223.6-169.2-57.20000113.3E258E258-S262 WeakPolarHBondContact O-CA 3.43Å; E258-S262 PolarHBondContact O-N 3.02Å
263V91.4Very high94Very high80 Ų8038 Ų3849%0.48522%0.217SC..  trans-85.3140.7177.8173.80000109.4L257 E258 T261 A265L257-V263 WeakPolarHBondContact CA-O 3.48Å; E258-V263 PolarHBondContact N-O 3.24Å; T261-V263 PolarHBondContact O-N 2.86Å; T261-V263 PolarHBondContact OG1-N 2.85Å; V263-A265 PolarHBondContact O-N 3.36Å; V263-A265 VanDerWaalsContact O-N 3.12Å
264I91.4Very high94Very high78 Ų7837.9 Ų37.940%0.422%0.22SC..EExtended strand (participates in β ladder)trans-69.3104.7168.1-61.2169000108T24 T255 L257 L266 Q267T24-I264 HydrophobicContact CG2-CG2 4Å; T255-I264 HydrophobicContact CG2-CG1 4.06Å; T255-I264 HydrophobicContact CG2-CG2 3.99Å; L257-I264 HydrophobicContact CD2-CB 4.28Å; L257-I264 HydrophobicContact CD2-CG1 3.51Å; I264-L266 WeakPolarHBondContact CG2-O 3.28Å; I264-Q267 HydrophobicContact CG2-CB 3.93Å
265A90.5Very high93.9Very high26 Ų2640 Ų4022%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-71.4-40.6172.200000110.7T24 M78 V256 E258 V263T24-A265 PolarHBondContact OG1-O 2.95Å; M78-A265 HydrophobicContact CE-CB 4.29Å; M78-A265 HydrophobicContact SD-CB 4.1Å; V256-A265 HydrophobicContact CG1-CB 4.35Å; V256-A265 PolarHBondContact O-N 3.33Å; E258-A265 HydrophobicContact CG-CB 4.18Å; V263-A265 PolarHBondContact O-N 3.36Å; V263-A265 VanDerWaalsContact O-N 3.12Å
266L90.9Very high93.7Very high15 Ų1541.6 Ų41.68%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-150.5143.3-176-179.2151.4000110D22 P74 L114 Y254 T255 V256 I264D22-L266 HydrophobicContact CB-CD1 3.74Å; D22-L266 HydrophobicContact CB-CG 3.76Å; P74-L266 HydrophobicContact CB-CD1 3.9Å; P74-L266 HydrophobicContact CG-CD1 4.4Å; L114-L266 HydrophobicContact CD2-CD2 3.92Å; Y254-L266 HydrophobicContact CD2-CD2 3.86Å; Y254-L266 HydrophobicContact CE2-CD2 3.53Å; T255-L266 WeakPolarHBondContact CA-O 3.42Å; V256-L266 HydrophobicContact CB-CB 4.03Å; V256-L266 HydrophobicContact CG2-CB 4.08Å; V256-L266 HydrophobicContact CG2-CD2 4.04Å; V256-L266 PolarHBondContact N-O 3.39Å; V256-L266 PolarHBondContact O-N 3.15Å; I264-L266 WeakPolarHBondContact CG2-O 3.28Å
267Q93.2Very high92.8Very high26 Ų2652.8 Ų52.812%0.12130%0.298CS..EExtended strand (participates in β ladder)trans-143146.1171.1179166.6-61.800109.9D22 I23 T24 E40 R253 Y254 T255 I264D22-Q267 CarbonylContact C-O 3.52Å; D22-Q267 WeakPolarHBondContact CA-O 3.35Å; D22-Q267 PolarHBondContact OD1-N 3.09Å; I23-Q267 HydrophobicContact CD1-CB 4.33Å; I23-Q267 HydrophobicContact CD1-CG 3.91Å; I23-Q267 HydrophobicContact CG1-CB 4.17Å; I23-Q267 HydrophobicContact CG1-CG 4.3Å; I23-Q267 WeakPolarHBondContact CG1-O 3.44Å; I23-Q267 PolarHBondContact N-O 2.7Å; T24-Q267 HydrophobicContact CG2-CB 4.03Å; E40-Q267 PolarHBondContact OE1-NE2 2.84Å; E40-Q267 VanDerWaalsContact OE1-NE2 3.08Å; R253-Q267 HydrophobicContact CG-CG 4.3Å; Y254-Q267 CarbonylContact O-C 3.59Å; Y254-Q267 WeakPolarHBondContact O-CA 3.42Å; T255-Q267 PolarHBondContact OG1-OE1 2.78Å; I264-Q267 HydrophobicContact CG2-CB 3.93Å
268G93.6Very high92.7Very high0 Ų052.7 Ų52.70%030%0.298CS..EExtended strand (participates in β ladder)trans-160.6179.1171.500000112.7G21 R253 Y254G21-G268 VanDerWaalsContact O-CA 3.28Å; G21-G268 WeakPolarHBondContact O-CA 3.48Å; R253-G268 WeakPolarHBondContact CA-O 3.45Å; Y254-G268 VanDerWaalsContact CD1-C 3.47Å; Y254-G268 VanDerWaalsContact CD1-O 3.25Å; Y254-G268 WeakPolarHBondContact CD1-O 3.18Å; Y254-G268 WeakPolarHBondContact CE1-O 3.44Å; Y254-G268 VanDerWaalsContact CZ-CA 3.48Å; Y254-G268 PolarHBondContact N-O 3.46Å; Y254-G268 PolarHBondContact O-N 3.13Å
269Y96.1Very high92.6Very high0 Ų051.7 Ų51.70%030%0.296CS..EExtended strand (participates in β ladder)trans-133.2145.3-178.3-59.6-85.1000112.6T20 I23 E40 L41 F222 C252 R253T20-Y269 HydrophobicContact CG2-CD2 4.44Å; T20-Y269 PolarHBondContact N-O 3.05Å; T20-Y269 PolarHBondContact OG1-N 2.86Å; T20-Y269 PolarHBondContact OG1-O 2.58Å; I23-Y269 HydrophobicContact CD1-CD2 4.08Å; I23-Y269 HydrophobicContact CD1-CE2 3.51Å; E40-Y269 HydrophobicContact CG-CE2 4.19Å; E40-Y269 VanDerWaalsContact OE1-CE2 3.3Å; E40-Y269 WeakPolarHBondContact OE1-CE2 3.39Å; E40-Y269 PolarHBondContact OE1-OH 3.34Å; L41-Y269 HydrophobicContact CB-CE1 4.43Å; L41-Y269 VanDerWaalsContact CD1-CB 3.44Å; L41-Y269 HydrophobicContact CD1-CD1 3.33Å; L41-Y269 HydrophobicContact CD1-CD2 4.1Å; L41-Y269 HydrophobicContact CD1-CE1 4.03Å; L41-Y269 HydrophobicContact CD1-CG 3.38Å; F222-Y269 HydrophobicContact CZ-CE1 4.17Å; C252-Y269 CarbonylContact O-C 3.5Å; C252-Y269 WeakPolarHBondContact O-CA 3.4Å; C252-Y269 WeakPolarHBondContact O-CB 3.46Å; C252-Y269 WeakPolarHBondContact O-CD1 3.32Å; R253-Y269 HydrophobicContact CB-CD1 3.76Å; R253-Y269 HydrophobicContact CB-CE1 3.6Å; R253-Y269 HydrophobicContact CG-CD1 4.05Å; R253-Y269 HydrophobicContact CG-CE1 3.6Å
270F96.1Very high92.7Very high1 Ų149.8 Ų49.80%0.00429%0.292CS..EExtended strand (participates in β ladder)trans-117.7139162.6-57.1-26.8000110.4V18 Y19 A109 V110 E113 Y250 A251 C252 Y254V18-F270 WeakPolarHBondContact O-CA 3.45Å; Y19-F270 AromaticContact CD1-CD1 3.28Å; Y19-F270 HydrophobicContact CD1-CD1 3.28Å; Y19-F270 HydrophobicContact CD1-CD2 4.31Å; Y19-F270 AromaticContact CD1-CE1 3.2Å; Y19-F270 HydrophobicContact CD1-CE1 3.2Å; Y19-F270 HydrophobicContact CD1-CE2 4.19Å; Y19-F270 AromaticContact CD1-CG 3.91Å; Y19-F270 HydrophobicContact CD1-CG 3.91Å; Y19-F270 AromaticContact CD1-CZ 3.69Å; Y19-F270 HydrophobicContact CD1-CZ 3.69Å; Y19-F270 HydrophobicContact CE1-CD1 4.02Å; Y19-F270 HydrophobicContact CE1-CD2 4.3Å; Y19-F270 HydrophobicContact CE1-CE1 4.08Å; Y19-F270 HydrophobicContact CE1-CE2 4.28Å; Y19-F270 HydrophobicContact CE1-CG 4.19Å; Y19-F270 HydrophobicContact CE1-CZ 4.2Å; Y19-F270 AromaticContact CG-CD1 3.71Å; Y19-F270 HydrophobicContact CG-CD1 3.71Å; Y19-F270 AromaticContact CG-CE1 3.88Å; Y19-F270 HydrophobicContact CG-CE1 3.88Å; A109-F270 VanDerWaalsContact C-CE2 3.5Å; A109-F270 HydrophobicContact CB-CD2 3.71Å; A109-F270 HydrophobicContact CB-CE2 3.66Å; V110-F270 HydrophobicContact CB-CE2 4.21Å; V110-F270 HydrophobicContact CG2-CD2 3.89Å; V110-F270 HydrophobicContact CG2-CE2 3.51Å; V110-F270 HydrophobicContact CG2-CZ 4.46Å; E113-F270 HydrophobicContact CB-CE1 4.4Å; E113-F270 HydrophobicContact CB-CE2 4.34Å; E113-F270 HydrophobicContact CB-CZ 3.53Å; E113-F270 HydrophobicContact CG-CE1 4.11Å; E113-F270 HydrophobicContact CG-CZ 3.67Å; Y250-F270 HydrophobicContact CE2-CB 4.35Å; A251-F270 CarbonylContact C-O 3.59Å; A251-F270 WeakPolarHBondContact CA-O 3.38Å; C252-F270 HydrophobicContact CB-CB 4.2Å; C252-F270 PolarHBondContact N-O 2.99Å; C252-F270 PolarHBondContact O-N 3.24Å; Y254-F270 HydrophobicContact CD1-CE1 4.19Å; Y254-F270 HydrophobicContact CD1-CE2 4.31Å; Y254-F270 HydrophobicContact CD1-CZ 4.06Å; Y254-F270 AromaticContact CE1-CD1 3.82Å; Y254-F270 HydrophobicContact CE1-CD1 3.82Å; Y254-F270 AromaticContact CE1-CE1 3.31Å; Y254-F270 HydrophobicContact CE1-CE1 3.31Å; Y254-F270 HydrophobicContact CE1-CE2 4.19Å; Y254-F270 HydrophobicContact CE1-CG 4.38Å; Y254-F270 AromaticContact CE1-CZ 3.53Å; Y254-F270 HydrophobicContact CE1-CZ 3.53Å; Y254-F270 AromaticContact CZ-CE1 3.81Å; Y254-F270 AromaticContact CZ-CZ 3.98Å
271V97.9Very high92.8Very high1 Ų145.5 Ų45.51%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-132.2132.4172.7-168.60000108.9R17 V18 L41 V45 L223 A248 A251 F273R17-V271 CarbonylContact C-O 3.55Å; R17-V271 VanDerWaalsContact CA-O 3.32Å; R17-V271 WeakPolarHBondContact CA-O 3.45Å; V18-V271 PolarHBondContact N-O 2.91Å; V18-V271 PolarHBondContact O-N 3.19Å; L41-V271 HydrophobicContact CD1-CG2 3.74Å; L41-V271 HydrophobicContact CD2-CG2 4.35Å; L41-V271 HydrophobicContact CG-CG2 4.32Å; V45-V271 HydrophobicContact CG2-CG2 3.86Å; L223-V271 HydrophobicContact CD2-CG1 3.94Å; A248-V271 HydrophobicContact CB-CG1 3.83Å; A251-V271 HydrophobicContact CB-CG2 4.28Å; V271-F273 HydrophobicContact CB-CD2 4.44Å; V271-F273 HydrophobicContact CB-CE2 3.72Å; V271-F273 HydrophobicContact CB-CZ 3.91Å; V271-F273 HydrophobicContact CG1-CD1 4.29Å; V271-F273 HydrophobicContact CG1-CD2 4.09Å; V271-F273 HydrophobicContact CG1-CE1 3.74Å; V271-F273 HydrophobicContact CG1-CE2 3.52Å; V271-F273 HydrophobicContact CG1-CG 4.46Å; V271-F273 HydrophobicContact CG1-CZ 3.32Å
272H97.9Very high92.9Very high10 Ų1043.7 Ų43.75%0.04625%0.248CC..EExtended strand (participates in β ladder)trans-109.7116.7173.8-179-169.1000109.4E15 R17 E105 A248 V249 Y250E15-H272 IonicContact OE2-CD2 2.96Å; E15-H272 IonicContact OE2-CE1 3.31Å; E15-H272 PolarHBondContact OE2-CE1 3.24Å; E15-H272 IonicContact OE2-NE2 2.94Å; E15-H272 PolarHBondContact OE2-NE2 3.35Å; R17-H272 HydrophobicContact CG-CB 4.11Å; E105-H272 IonicContact OE2-CE1 2.67Å; E105-H272 PolarHBondContact OE2-CE1 2.85Å; E105-H272 VanDerWaalsContact OE2-CE1 3.31Å; E105-H272 IonicContact OE2-ND1 3.68Å; E105-H272 PolarHBondContact OE2-ND1 3.07Å; A248-H272 CarbonylContact C-O 3.59Å; A248-H272 VanDerWaalsContact CA-O 3.31Å; A248-H272 WeakPolarHBondContact CA-O 3.25Å; V249-H272 PolarHBondContact N-O 3.48Å; Y250-H272 HydrophobicContact CD1-CB 3.8Å; Y250-H272 HydrophobicContact CE1-CB 3.32Å; Y250-H272 AromaticContact CE1-CG 3.92Å; Y250-H272 AromaticContact CE1-ND1 3.59Å; Y250-H272 HydrophobicContact CE2-CB 4.26Å; Y250-H272 HydrophobicContact CG-CB 4.46Å; Y250-H272 PolarHBondContact O-N 3.26Å
273F97.9Very high93.2Very high4 Ų440.3 Ų40.32%0.01822%0.22CC..EExtended strand (participates in β ladder)trans-100.3137.3178.3-60.7-82.6000110.2E15 F16 V18 V45 L223 V228 W246 K247 A248 V271E15-F273 CarbonylContact C-O 3.38Å; E15-F273 WeakPolarHBondContact CA-O 3.33Å; E15-F273 WeakPolarHBondContact CB-O 3.17Å; F16-F273 HydrophobicContact CD1-CB 3.93Å; F16-F273 HydrophobicContact CD2-CB 4.41Å; F16-F273 AromaticContact CD2-CD2 3.84Å; F16-F273 HydrophobicContact CD2-CD2 3.84Å; F16-F273 HydrophobicContact CE1-CB 3.53Å; F16-F273 HydrophobicContact CE1-CD2 4.27Å; F16-F273 HydrophobicContact CE1-CG 4.05Å; F16-F273 HydrophobicContact CE2-CB 4.06Å; F16-F273 AromaticContact CE2-CD2 3.22Å; F16-F273 HydrophobicContact CE2-CD2 3.22Å; F16-F273 AromaticContact CE2-CE2 3.83Å; F16-F273 HydrophobicContact CE2-CE2 3.83Å; F16-F273 AromaticContact CE2-CG 3.84Å; F16-F273 HydrophobicContact CE2-CG 3.84Å; F16-F273 HydrophobicContact CG-CB 4.35Å; F16-F273 HydrophobicContact CZ-CB 3.6Å; F16-F273 HydrophobicContact CZ-CD1 4.4Å; F16-F273 AromaticContact CZ-CD2 3.47Å; F16-F273 HydrophobicContact CZ-CD2 3.47Å; F16-F273 VanDerWaalsContact CZ-CD2 3.47Å; F16-F273 HydrophobicContact CZ-CE2 4.21Å; F16-F273 AromaticContact CZ-CG 3.57Å; F16-F273 HydrophobicContact CZ-CG 3.57Å; F16-F273 PolarHBondContact N-O 3.12Å; F16-F273 PolarHBondContact O-N 3.32Å; V18-F273 HydrophobicContact CB-CE2 4.32Å; V18-F273 HydrophobicContact CG2-CD2 4.21Å; V18-F273 HydrophobicContact CG2-CE2 3.8Å; V45-F273 HydrophobicContact CG1-CE2 4.22Å; V45-F273 HydrophobicContact CG1-CZ 4.07Å; L223-F273 HydrophobicContact CD2-CE1 4.45Å; V228-F273 HydrophobicContact CB-CE1 4.46Å; V228-F273 HydrophobicContact CG1-CD1 3.87Å; V228-F273 HydrophobicContact CG1-CE1 3.8Å; V228-F273 HydrophobicContact CG2-CD1 4.34Å; V228-F273 HydrophobicContact CG2-CE1 3.81Å; W246-F273 HydrophobicContact CE3-CB 4Å; W246-F273 HydrophobicContact CZ3-CB 4.31Å; K247-F273 CarbonylContact O-C 3.6Å; K247-F273 VanDerWaalsContact O-CA 3.27Å; K247-F273 WeakPolarHBondContact O-CA 3.32Å; A248-F273 HydrophobicContact CB-CD1 4.28Å; A248-F273 HydrophobicContact CB-CE1 4.26Å; V271-F273 HydrophobicContact CB-CD2 4.44Å; V271-F273 HydrophobicContact CB-CE2 3.72Å; V271-F273 HydrophobicContact CB-CZ 3.91Å; V271-F273 HydrophobicContact CG1-CD1 4.29Å; V271-F273 HydrophobicContact CG1-CD2 4.09Å; V271-F273 HydrophobicContact CG1-CE1 3.74Å; V271-F273 HydrophobicContact CG1-CE2 3.52Å; V271-F273 HydrophobicContact CG1-CG 4.46Å; V271-F273 HydrophobicContact CG1-CZ 3.32Å
274V97.1Very high93.3Very high30 Ų3037.4 Ų37.418%0.18220%0.201CC..EExtended strand (participates in β ladder)trans-128.7149.5174.7-620000110.6T14 E15 W246 K247 V249T14-V274 CarbonylContact O-C 3.59Å; T14-V274 WeakPolarHBondContact O-CA 3.35Å; E15-V274 HydrophobicContact CB-CG1 4.13Å; W246-V274 WeakPolarHBondContact CA-O 3.18Å; W246-V274 VanDerWaalsContact CE3-C 3.44Å; K247-V274 HydrophobicContact CG-CG2 3.85Å; K247-V274 PolarHBondContact N-O 3.18Å; K247-V274 PolarHBondContact O-N 2.67Å; V249-V274 HydrophobicContact CG2-CB 3.96Å; V249-V274 HydrophobicContact CG2-CG1 3.39Å; V249-V274 HydrophobicContact CG2-CG2 3.34Å
275K96Very high93.5Very high47 Ų4734.3 Ų34.320%0.20419%0.186CC..EExtended strand (participates in β ladder)trans-84.9115.7174.2-165.1169.5-174.2164.60109.2L10 D11 S13 T14 R245 W246L10-K275 PolarHBondContact O-NZ 2.88Å; D11-K275 PolarHBondContact O-NZ 3.01Å; S13-K275 WeakPolarHBondContact O-CD 3.21Å; T14-K275 WeakPolarHBondContact O-CB 3.22Å; T14-K275 PolarHBondContact O-N 2.68Å; R245-K275 HydrophobicContact CB-CG 4.11Å; R245-K275 CarbonylContact O-C 3.53Å; R245-K275 WeakPolarHBondContact O-CA 3.14Å; W246-K275 HydrophobicContact CD2-CB 4.29Å; W246-K275 HydrophobicContact CE3-CB 4.32Å; W246-K275 HydrophobicContact CH2-CB 4.11Å; W246-K275 HydrophobicContact CZ2-CB 4.04Å; W246-K275 HydrophobicContact CZ2-CD 4.04Å; W246-K275 HydrophobicContact CZ2-CG 4.32Å; W246-K275 HydrophobicContact CZ3-CB 4.25Å
276T90.7Very high93.7Very high50 Ų5035 Ų3531%0.30718%0.184SC..  trans-73.7137.5169.460.10000109.5R245 K247R245-T276 WeakPolarHBondContact CA-OG1 3.44Å; R245-T276 PolarHBondContact O-N 2.88Å; R245-T276 PolarHBondContact O-OG1 3.26Å; R245-T276 VanDerWaalsContact O-OG1 3.09Å; K247-T276 HydrophobicContact CB-CG2 4.43Å; K247-T276 HydrophobicContact CD-CG2 3.63Å; K247-T276 HydrophobicContact CG-CG2 3.74Å
277L77.2Confident94Very high236 Ų23636.8 Ų36.8100%1.23619%0.193SC*.  trans-70.10175.9-65.3175.2000112

Retrieved 277 of 277 residues in 145.3 ms (Link to these results)

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