G4VP84_SCHMA Loading...

Putative rna 3' terminal phosphate cyclase AlphaSync

AlphaFold DB , UniProt , Accession G4VP84, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 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
1M43Very low86.5Confident239 Ų23977.5 Ų77.5100%1.17744%0.438SS*.  0109.80-158-174.3-70.100106.9S3M1-S3 PolarHBondContact O-N 3.04Å
2V59.5Low87.4Confident105 Ų10572.8 Ų72.864%0.63641%0.41SS*.  trans-67.7104.1-178.6179.60000108.1T4 K26V2-T4 PolarHBondContact O-N 2.87Å; V2-K26 HydrophobicContact CG1-CB 4.09Å
3S85.1Confident88.2Confident53 Ų5367.5 Ų67.537%0.37138%0.38SS..PPolyproline II helixtrans-62120.1177.258.50000109M1 K25M1-S3 PolarHBondContact O-N 3.04Å; S3-K25 VanDerWaalsContact OG-CD 3.24Å; S3-K25 WeakPolarHBondContact OG-CD 3.32Å; S3-K25 VanDerWaalsContact OG-CE 3.24Å; S3-K25 WeakPolarHBondContact OG-CE 3.24Å; S3-K25 WeakPolarHBondContact OG-CG 3.36Å
4T94Very high88.8Confident76 Ų7664 Ų6447%0.46636%0.358SS..EExtended strand (participates in β ladder)trans-91.2126175.8-60.90000109.2V2 K26 V28V2-T4 PolarHBondContact O-N 2.87Å; T4-K26 CarbonylContact C-O 3.54Å; T4-K26 WeakPolarHBondContact CA-O 3.24Å; T4-K26 HydrophobicContact CG2-CB 4.35Å; T4-K26 HydrophobicContact CG2-CD 4.27Å; T4-K26 HydrophobicContact CG2-CG 4.19Å; T4-V28 HydrophobicContact CG2-CG2 3.9Å
5I96.3Very high89.4Confident22 Ų2259.7 Ų59.711%0.11333%0.334CS..EExtended strand (participates in β ladder)trans-94.2118.3175.3-60.1-61.3000108.4L7 K25 K26 L27 V28 K334 F335I5-L7 HydrophobicContact CG2-CD1 3.99Å; I5-L7 HydrophobicContact CG2-CD2 4.37Å; I5-L7 HydrophobicContact CG2-CG 3.85Å; I5-K25 HydrophobicContact CD1-CD 4.23Å; I5-K25 HydrophobicContact CG1-CB 4.09Å; I5-K25 HydrophobicContact CG1-CD 4.09Å; I5-K26 PolarHBondContact N-O 3.16Å; I5-L27 HydrophobicContact CB-CD1 4.5Å; I5-L27 HydrophobicContact CG2-CD1 4.27Å; I5-L27 WeakPolarHBondContact O-CA 3.33Å; I5-V28 PolarHBondContact O-N 3.13Å; I5-K334 WeakPolarHBondContact CD1-O 3.41Å; I5-F335 HydrophobicContact CB-CD1 4.45Å; I5-F335 HydrophobicContact CB-CE1 3.93Å; I5-F335 HydrophobicContact CB-CZ 4.12Å; I5-F335 HydrophobicContact CG1-CD1 3.88Å; I5-F335 HydrophobicContact CG1-CE1 3.83Å; I5-F335 HydrophobicContact CG1-CZ 4.43Å; I5-F335 HydrophobicContact CG2-CD2 4.47Å; I5-F335 HydrophobicContact CG2-CE1 4Å; I5-F335 HydrophobicContact CG2-CE2 3.97Å; I5-F335 HydrophobicContact CG2-CZ 3.72Å
6L97.1Very high90Very high96 Ų9656.8 Ų56.850%0.50332%0.316SS..EExtended strand (participates in β ladder)trans-100.8123.4175.3-177.368.4000109.5V28 K30L6-V28 HydrophobicContact CD1-CB 3.96Å; L6-V28 HydrophobicContact CD1-CG1 3.92Å; L6-K30 HydrophobicContact CD1-CD 3.74Å; L6-K30 VanDerWaalsContact CD1-CE 3.49Å; L6-K30 HydrophobicContact CD1-CG 3.92Å
7L97.4Very high90.5Very high11 Ų1153.4 Ų53.46%0.05830%0.298CS..EExtended strand (participates in β ladder)trans-135.5165.7177.6-62.7173.1000110.9I5 K16 L27 V28 L29 K30 L331 K334 F335I5-L7 HydrophobicContact CG2-CD1 3.99Å; I5-L7 HydrophobicContact CG2-CD2 4.37Å; I5-L7 HydrophobicContact CG2-CG 3.85Å; L7-K16 HydrophobicContact CD1-CD 4.41Å; L7-K16 HydrophobicContact CD1-CG 4.02Å; L7-L27 HydrophobicContact CB-CD1 4.49Å; L7-L27 HydrophobicContact CD1-CD1 3.99Å; L7-L27 HydrophobicContact CG-CD1 4.33Å; L7-V28 PolarHBondContact N-O 2.95Å; L7-L29 HydrophobicContact CB-CD2 3.75Å; L7-L29 HydrophobicContact CD1-CD2 4.45Å; L7-L29 WeakPolarHBondContact O-CA 3.34Å; L7-K30 PolarHBondContact O-N 3.07Å; L7-L331 HydrophobicContact CD1-CD2 3.45Å; L7-L331 VanDerWaalsContact CD1-CD2 3.45Å; L7-L331 HydrophobicContact CD2-CD2 4.41Å; L7-K334 HydrophobicContact CD2-CD 3.59Å; L7-F335 HydrophobicContact CD1-CE2 3.77Å; L7-F335 HydrophobicContact CD1-CZ 4.2Å
8E95.7Very high90.9Very high108 Ų10850.4 Ų50.451%0.50528%0.281SS..EExtended strand (participates in β ladder)trans-119.5153.8179.1-57.8-167.1170.500111.7K16 K30 R31E8-K16 PolarHBondContact O-NZ 3.19Å; E8-K16 VanDerWaalsContact O-NZ 3.07Å; E8-K30 CarbonylContact C-O 3.59Å; E8-K30 VanDerWaalsContact CA-O 3.32Å; E8-K30 WeakPolarHBondContact CA-O 3.35Å; E8-R31 IonicContact OE1-CZ 3.54Å; E8-R31 IonicContact OE1-NE 3.87Å; E8-R31 IonicContact OE1-NH1 3Å; E8-R31 PolarHBondContact OE1-NH1 2.88Å; E8-R31 WeakPolarHBondContact OE2-CD 3.48Å; E8-R31 IonicContact OE2-CZ 3.87Å; E8-R31 IonicContact OE2-NH1 2.95Å; E8-R31 PolarHBondContact OE2-NH1 3.44Å
9G94.7Very high91.3Very high21 Ų2147.8 Ų47.822%0.21627%0.266CS..SBendtrans71.6173.2170.700000115.5K16 K30G9-K16 PolarHBondContact O-NZ 3Å; G9-K30 PolarHBondContact N-O 2.61Å
10H94Very high91.6Very high86 Ų8645.4 Ų45.440%0.39825%0.253SS..SBendtrans-89.2-14.2-177.167.182.5000114.2N12 F13 I32 E45H10-N12 PolarHBondContact O-N 3Å; H10-F13 WeakPolarHBondContact O-CB 3.4Å; H10-F13 PolarHBondContact O-N 2.75Å; H10-F13 VanDerWaalsContact O-N 3.14Å; H10-I32 HydrophobicContact CB-CG2 4.13Å; H10-E45 WeakPolarHBondContact CB-OE1 3.34Å
11G95Very high91.8Very high36 Ų3643.4 Ų43.437%0.37124%0.242SC..THydrogen-bonded Turntrans-53.4138.4-177.100000112.6F13 K16G11-F13 PolarHBondContact O-N 2.95Å; G11-K16 WeakPolarHBondContact O-CD 3.39Å; G11-K16 WeakPolarHBondContact O-CE 3.43Å; G11-K16 PolarHBondContact O-NZ 3.04Å
12N96.8Very high94.3Very high20 Ų2032.6 Ų32.611%0.10719%0.189CC..THydrogen-bonded Turntrans52.135.8-177.6-61.362.9000113.7H10 R14 V15 K16 Y324 C327 T328 L331H10-N12 PolarHBondContact O-N 3Å; N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 2.71Å; N12-V15 HydrophobicContact CB-CB 4.28Å; N12-V15 HydrophobicContact CB-CG2 4.47Å; N12-V15 PolarHBondContact O-N 2.89Å; N12-V15 VanDerWaalsContact O-N 3.11Å; N12-K16 WeakPolarHBondContact O-CG 3.49Å; N12-K16 PolarHBondContact O-N 3.37Å; N12-Y324 HydrophobicContact CB-CE2 4.07Å; N12-Y324 VanDerWaalsContact CG-CE2 3.46Å; N12-Y324 WeakPolarHBondContact ND2-CD2 3.24Å; N12-Y324 WeakPolarHBondContact ND2-CE2 3.39Å; N12-Y324 PolarHBondContact ND2-O 3.13Å; N12-C327 VanDerWaalsContact OD1-CB 3.27Å; N12-C327 WeakPolarHBondContact OD1-CB 3.49Å; N12-T328 PolarHBondContact ND2-OG1 3.38Å; N12-L331 HydrophobicContact CB-CD1 3.65Å
13F97.7Very high96Very high4 Ų428.8 Ų28.82%0.01817%0.167CC..Hα-helixtrans-49.6-47.4-177.2-164.3-96.6000112.5H10 G11 V15 K16 I17 L29 I32 V41 E45 L48 L49H10-F13 WeakPolarHBondContact O-CB 3.4Å; H10-F13 PolarHBondContact O-N 2.75Å; H10-F13 VanDerWaalsContact O-N 3.14Å; G11-F13 PolarHBondContact O-N 2.95Å; F13-V15 PolarHBondContact O-N 3.21Å; F13-K16 WeakPolarHBondContact O-CB 3.47Å; F13-K16 PolarHBondContact O-N 3.1Å; F13-K16 VanDerWaalsContact O-N 3.16Å; F13-I17 HydrophobicContact CD1-CG1 3.97Å; F13-I17 HydrophobicContact CE1-CD1 4.13Å; F13-I17 HydrophobicContact CE1-CG1 3.74Å; F13-I17 HydrophobicContact CZ-CD1 4.12Å; F13-I17 HydrophobicContact CZ-CG1 4.25Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 3.32Å; F13-L29 HydrophobicContact CD2-CD1 3.74Å; F13-L29 HydrophobicContact CE2-CD1 3.47Å; F13-L29 VanDerWaalsContact CE2-CD1 3.47Å; F13-L29 HydrophobicContact CZ-CD1 4.37Å; F13-I32 HydrophobicContact CE2-CD1 4.42Å; F13-V41 HydrophobicContact CE2-CG1 4.35Å; F13-V41 HydrophobicContact CZ-CG1 4.42Å; F13-E45 HydrophobicContact CB-CG 4.39Å; F13-E45 HydrophobicContact CD1-CB 4.06Å; F13-E45 HydrophobicContact CD1-CG 3.77Å; F13-E45 HydrophobicContact CD2-CG 4.18Å; F13-E45 HydrophobicContact CE1-CB 3.77Å; F13-E45 HydrophobicContact CE1-CG 4.01Å; F13-E45 HydrophobicContact CE2-CB 4.43Å; F13-E45 HydrophobicContact CE2-CG 4.39Å; F13-E45 HydrophobicContact CG-CG 3.87Å; F13-E45 HydrophobicContact CZ-CB 3.97Å; F13-E45 HydrophobicContact CZ-CG 4.31Å; F13-L48 HydrophobicContact CD1-CD2 3.63Å; F13-L48 HydrophobicContact CE1-CD2 4.01Å; F13-L49 HydrophobicContact CE1-CD2 4.12Å; F13-L49 HydrophobicContact CE1-CG 4.08Å; F13-L49 HydrophobicContact CZ-CD1 4.13Å; F13-L49 HydrophobicContact CZ-CD2 4.03Å; F13-L49 HydrophobicContact CZ-CG 4.04Å
14R97.2Very high96.4Very high19 Ų1929.7 Ų29.77%0.07217%0.172CC..Hα-helixtrans-54.2-49.4178-57.8-176.7-69.8-79.513.6113.5N12 I17 A18 L48 Y94 E97 F98 M101 Y324N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 2.71Å; R14-I17 PolarHBondContact O-N 3.48Å; R14-A18 WeakPolarHBondContact O-CB 3.32Å; R14-A18 PolarHBondContact O-N 3.34Å; R14-L48 HydrophobicContact CB-CD2 4.27Å; R14-L48 HydrophobicContact CG-CD2 3.91Å; R14-Y94 WeakPolarHBondContact CD-O 3.17Å; R14-Y94 HydrophobicContact CG-CD1 4.04Å; R14-Y94 HydrophobicContact CG-CD2 4.11Å; R14-Y94 HydrophobicContact CG-CE1 3.58Å; R14-Y94 HydrophobicContact CG-CE2 3.68Å; R14-Y94 HydrophobicContact CG-CG 4.24Å; R14-E97 IonicContact CZ-OE2 3.58Å; R14-E97 IonicContact NE-OE1 3.5Å; R14-E97 IonicContact NE-OE2 2.6Å; R14-E97 PolarHBondContact NE-OE2 3.36Å; R14-E97 IonicContact NH2-OE2 2.74Å; R14-E97 PolarHBondContact NH2-OE2 2.96Å; R14-F98 HydrophobicContact CB-CB 4.49Å; R14-M101 HydrophobicContact CB-CE 4.16Å; R14-Y324 PolarHBondContact NH2-OH 2.89Å
15V98.2Very high96.5Very high0 Ų028.5 Ų28.50%016%0.161CC..Hα-helixtrans-65.9-40.9179.5-179.70000110.6N12 F13 I17 A18 L19 M101 V303 Y324 T328 L331N12-V15 HydrophobicContact CB-CB 4.28Å; N12-V15 HydrophobicContact CB-CG2 4.47Å; N12-V15 PolarHBondContact O-N 2.89Å; N12-V15 VanDerWaalsContact O-N 3.11Å; F13-V15 PolarHBondContact O-N 3.21Å; V15-I17 PolarHBondContact O-N 2.79Å; V15-A18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.09Å; V15-L19 VanDerWaalsContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CB 3.4Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.84Å; V15-M101 HydrophobicContact CB-SD 4.48Å; V15-M101 HydrophobicContact CG2-CE 4.07Å; V15-M101 HydrophobicContact CG2-SD 4.06Å; V15-V303 HydrophobicContact CG1-CG2 4.2Å; V15-Y324 WeakPolarHBondContact CG2-OH 3.35Å; V15-T328 HydrophobicContact CG1-CG2 4.03Å; V15-L331 HydrophobicContact CB-CD1 4.12Å; V15-L331 HydrophobicContact CG1-CB 4.49Å; V15-L331 HydrophobicContact CG1-CD1 3.87Å
16K98.4Very high96.6Very high12 Ų1231 Ų315%0.05217%0.171CC..Hα-helixtrans-58.8-48.5176.7-72.1163162.3170.70111.4L7 E8 G9 G11 N12 F13 S20 L27 L29 L331L7-K16 HydrophobicContact CD1-CD 4.41Å; L7-K16 HydrophobicContact CD1-CG 4.02Å; E8-K16 PolarHBondContact O-NZ 3.19Å; E8-K16 VanDerWaalsContact O-NZ 3.07Å; G9-K16 PolarHBondContact O-NZ 3Å; G11-K16 WeakPolarHBondContact O-CD 3.39Å; G11-K16 WeakPolarHBondContact O-CE 3.43Å; G11-K16 PolarHBondContact O-NZ 3.04Å; N12-K16 WeakPolarHBondContact O-CG 3.49Å; N12-K16 PolarHBondContact O-N 3.37Å; F13-K16 WeakPolarHBondContact O-CB 3.47Å; F13-K16 PolarHBondContact O-N 3.1Å; F13-K16 VanDerWaalsContact O-N 3.16Å; K16-S20 WeakPolarHBondContact O-CB 3.45Å; K16-S20 PolarHBondContact O-N 2.82Å; K16-L27 HydrophobicContact CB-CD2 3.95Å; K16-L29 HydrophobicContact CD-CD1 4.34Å; K16-L29 HydrophobicContact CD-CD2 3.81Å; K16-L331 HydrophobicContact CG-CD1 3.78Å; K16-L331 HydrophobicContact CG-CD2 3.8Å; K16-L331 HydrophobicContact CG-CG 4.47Å
17I98.2Very high96.6Very high0 Ų026.4 Ų26.40%015%0.147CC..Hα-helixtrans-66-47.4178.5-55.8-46000110.4F13 R14 V15 L19 S20 L21 L27 L29 L48 L49 A52 V72 F98F13-I17 HydrophobicContact CD1-CG1 3.97Å; F13-I17 HydrophobicContact CE1-CD1 4.13Å; F13-I17 HydrophobicContact CE1-CG1 3.74Å; F13-I17 HydrophobicContact CZ-CD1 4.12Å; F13-I17 HydrophobicContact CZ-CG1 4.25Å; F13-I17 WeakPolarHBondContact O-CG1 3.49Å; F13-I17 PolarHBondContact O-N 3.32Å; R14-I17 PolarHBondContact O-N 3.48Å; V15-I17 PolarHBondContact O-N 2.79Å; I17-L19 PolarHBondContact O-N 3.05Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.86Å; I17-L21 HydrophobicContact CG2-CD1 4.17Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.05Å; I17-L21 VanDerWaalsContact O-N 3.07Å; I17-L27 HydrophobicContact CD1-CD2 3.89Å; I17-L29 HydrophobicContact CD1-CD1 4.46Å; I17-L48 HydrophobicContact CG1-CD2 4.27Å; I17-L49 HydrophobicContact CD1-CD2 3.87Å; I17-L49 HydrophobicContact CG1-CD2 4.16Å; I17-A52 HydrophobicContact CG2-CB 3.91Å; I17-V72 HydrophobicContact CD1-CG2 4.01Å; I17-F98 HydrophobicContact CB-CE2 4.11Å; I17-F98 HydrophobicContact CG2-CE2 3.74Å; I17-F98 HydrophobicContact CG2-CZ 4.27Å
18A98.2Very high96.6Very high0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-57.8-50.2179.100000111.9R14 V15 S20 L21 I22 F98 M101 V102R14-A18 WeakPolarHBondContact O-CB 3.32Å; R14-A18 PolarHBondContact O-N 3.34Å; V15-A18 PolarHBondContact O-N 2.81Å; A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.88Å; A18-L21 PolarHBondContact O-N 2.9Å; A18-I22 HydrophobicContact CB-CD1 4.41Å; A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.49Å; A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.79Å; A18-F98 HydrophobicContact CB-CD2 3.9Å; A18-F98 HydrophobicContact CB-CE2 4.06Å; A18-M101 HydrophobicContact CB-CB 3.81Å; A18-M101 HydrophobicContact CB-CE 3.89Å; A18-M101 HydrophobicContact CB-CG 4.48Å; A18-M101 HydrophobicContact CB-SD 3.89Å; A18-V102 HydrophobicContact CB-CG1 3.82Å
19L97.9Very high96.7Very high0 Ų021.7 Ų21.70%013%0.126CC..Hα-helixtrans-64.3-34.2178.9-71.6176.4000112.6V15 I17 S23 V303 L331 I332 F335 L336V15-L19 HydrophobicContact CG1-CD1 3.7Å; V15-L19 HydrophobicContact CG1-CG 4.09Å; V15-L19 VanDerWaalsContact O-CB 3.32Å; V15-L19 WeakPolarHBondContact O-CB 3.4Å; V15-L19 VanDerWaalsContact O-CG 3.31Å; V15-L19 WeakPolarHBondContact O-CG 3.41Å; V15-L19 PolarHBondContact O-N 2.84Å; I17-L19 PolarHBondContact O-N 3.05Å; L19-S23 VanDerWaalsContact O-CB 3.23Å; L19-S23 WeakPolarHBondContact O-CB 3.45Å; L19-S23 PolarHBondContact O-N 2.98Å; L19-S23 PolarHBondContact O-OG 2.88Å; L19-V303 HydrophobicContact CD2-CG1 4.17Å; L19-L331 HydrophobicContact CD1-CB 3.77Å; L19-I332 HydrophobicContact CD1-CG1 4.3Å; L19-F335 HydrophobicContact CB-CB 3.97Å; L19-F335 HydrophobicContact CB-CD1 4.07Å; L19-F335 HydrophobicContact CB-CD2 3.78Å; L19-F335 HydrophobicContact CB-CE1 4.48Å; L19-F335 HydrophobicContact CB-CE2 4.21Å; L19-F335 HydrophobicContact CB-CG 3.69Å; L19-F335 HydrophobicContact CD1-CB 4.28Å; L19-F335 HydrophobicContact CD1-CD2 3.86Å; L19-F335 HydrophobicContact CD1-CG 4.31Å; L19-F335 HydrophobicContact CG-CD2 4.5Å; L19-L336 HydrophobicContact CD2-CD1 4.05Å; L19-L336 HydrophobicContact CD2-CG 4.46Å
20S97.3Very high96.9Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-61.6-45.3173.9179.40000111.5K16 I17 A18 C24 K25 L27 P74K16-S20 WeakPolarHBondContact O-CB 3.45Å; K16-S20 PolarHBondContact O-N 2.82Å; I17-S20 WeakPolarHBondContact O-CB 3.37Å; I17-S20 PolarHBondContact O-N 2.86Å; A18-S20 VanDerWaalsContact C-N 3.31Å; A18-S20 PolarHBondContact O-N 2.88Å; S20-C24 WeakPolarHBondContact O-CA 3.32Å; S20-C24 PolarHBondContact O-N 3.37Å; S20-C24 VanDerWaalsContact O-N 3.13Å; S20-K25 PolarHBondContact O-N 3.17Å; S20-K25 PolarHBondContact OG-O 3.47Å; S20-L27 WeakPolarHBondContact OG-CB 3.44Å; S20-P74 WeakPolarHBondContact O-CG 3.11Å
21L96.5Very high97Very high3 Ų326.9 Ų26.92%0.01614%0.138CC..Hα-helixtrans-67.4-45.1177.4-65171.2000112.1I17 A18 C24 A52 T59 P74 L77 F98 V102I17-L21 HydrophobicContact CG2-CD1 4.17Å; I17-L21 WeakPolarHBondContact O-CG 3.45Å; I17-L21 PolarHBondContact O-N 3.05Å; I17-L21 VanDerWaalsContact O-N 3.07Å; A18-L21 PolarHBondContact O-N 2.9Å; L21-C24 PolarHBondContact O-N 2.68Å; L21-A52 HydrophobicContact CD1-CB 4.06Å; L21-T59 HydrophobicContact CD2-CG2 4.06Å; L21-P74 HydrophobicContact CD2-CB 3.98Å; L21-L77 HydrophobicContact CB-CD1 4.43Å; L21-L77 HydrophobicContact CB-CD2 4.2Å; L21-L77 HydrophobicContact CD1-CD2 4.21Å; L21-F98 HydrophobicContact CD1-CE2 4.02Å; L21-F98 HydrophobicContact CD1-CZ 3.68Å; L21-V102 HydrophobicContact CD1-CG1 4.47Å
22I95.7Very high97.1Very high12 Ų1225.1 Ų25.16%0.06212%0.12CC..Hα-helixtrans-67.8-41.8-177.9-64.5162.6000111.4A18 C24 M101 V102 F105 V383A18-I22 HydrophobicContact CB-CD1 4.41Å; A18-I22 WeakPolarHBondContact O-CB 3.47Å; A18-I22 WeakPolarHBondContact O-CD1 3.49Å; A18-I22 WeakPolarHBondContact O-CG1 3.49Å; A18-I22 PolarHBondContact O-N 2.79Å; I22-C24 VanDerWaalsContact C-N 3.34Å; I22-M101 HydrophobicContact CD1-CB 4.48Å; I22-M101 WeakPolarHBondContact CD1-O 3.49Å; I22-V102 HydrophobicContact CD1-CG1 4.37Å; I22-V102 HydrophobicContact CG1-CG1 4.37Å; I22-F105 HydrophobicContact CD1-CD2 4.13Å; I22-F105 HydrophobicContact CD1-CE2 3.98Å; I22-F105 HydrophobicContact CG1-CD2 3.77Å; I22-F105 HydrophobicContact CG1-CE2 4.04Å; I22-F105 HydrophobicContact CG2-CD2 4.11Å; I22-F105 HydrophobicContact CG2-CE1 4.42Å; I22-F105 HydrophobicContact CG2-CE2 3.93Å; I22-F105 HydrophobicContact CG2-CG 4.43Å; I22-F105 HydrophobicContact CG2-CZ 4.11Å; I22-V383 HydrophobicContact CG2-CG1 3.91Å
23S94.9Very high97.1Very high26 Ų2625.7 Ų25.718%0.18212%0.12CC..Hα-helixtrans-85.6-3.7-178.567.40000114.2L19 K25L19-S23 VanDerWaalsContact O-CB 3.23Å; L19-S23 WeakPolarHBondContact O-CB 3.45Å; L19-S23 PolarHBondContact O-N 2.98Å; L19-S23 PolarHBondContact O-OG 2.88Å; S23-K25 PolarHBondContact O-N 3.2Å; S23-K25 WeakPolarHBondContact OG-CB 3.34Å; S23-K25 WeakPolarHBondContact OG-CG 3.23Å
24C94.4Very high96.9Very high71 Ų7130 Ų3048%0.4814%0.14SC..THydrogen-bonded Turntrans51.333.2-172.3-62.50000113.4S20 L21 I22 P74S20-C24 WeakPolarHBondContact O-CA 3.32Å; S20-C24 PolarHBondContact O-N 3.37Å; S20-C24 VanDerWaalsContact O-N 3.13Å; L21-C24 PolarHBondContact O-N 2.68Å; I22-C24 VanDerWaalsContact C-N 3.34Å; C24-P74 VanDerWaalsContact C-CG 3.41Å
25K95.7Very high96.7Very high52 Ų5237.4 Ų37.423%0.22617%0.173CC..  trans-103129.4177.8-65.9-175175.4178.80110.6S3 I5 S20 S23 L27 F335S3-K25 VanDerWaalsContact OG-CD 3.24Å; S3-K25 WeakPolarHBondContact OG-CD 3.32Å; S3-K25 VanDerWaalsContact OG-CE 3.24Å; S3-K25 WeakPolarHBondContact OG-CE 3.24Å; S3-K25 WeakPolarHBondContact OG-CG 3.36Å; I5-K25 HydrophobicContact CD1-CD 4.23Å; I5-K25 HydrophobicContact CG1-CB 4.09Å; I5-K25 HydrophobicContact CG1-CD 4.09Å; S20-K25 PolarHBondContact O-N 3.17Å; S20-K25 PolarHBondContact OG-O 3.47Å; S23-K25 PolarHBondContact O-N 3.2Å; S23-K25 WeakPolarHBondContact OG-CB 3.34Å; S23-K25 WeakPolarHBondContact OG-CG 3.23Å; K25-L27 PolarHBondContact O-N 3.13Å; K25-F335 HydrophobicContact CB-CD1 4.34Å; K25-F335 WeakPolarHBondContact CD-O 3.23Å; K25-F335 VanDerWaalsContact CE-O 3.24Å; K25-F335 WeakPolarHBondContact CE-O 3.42Å; K25-F335 PolarHBondContact NZ-O 3.15Å
26K97.4Very high96.4Very high73 Ų7341.7 Ų41.732%0.31720%0.196SC..EExtended strand (participates in β ladder)trans-59.1131.7174.4-177176.9-179178.50109.8V2 T4 I5 V72V2-K26 HydrophobicContact CG1-CB 4.09Å; T4-K26 CarbonylContact C-O 3.54Å; T4-K26 WeakPolarHBondContact CA-O 3.24Å; T4-K26 HydrophobicContact CG2-CB 4.35Å; T4-K26 HydrophobicContact CG2-CD 4.27Å; T4-K26 HydrophobicContact CG2-CG 4.19Å; I5-K26 PolarHBondContact N-O 3.16Å; K26-V72 CarbonylContact C-O 3.59Å; K26-V72 WeakPolarHBondContact CA-O 3.48Å
27L97.8Very high96.2Very high0 Ų049.2 Ų49.20%024%0.237CC..EExtended strand (participates in β ladder)trans-111133.1177.5172.660.1000110I5 L7 K16 I17 S20 K25 L29 S71 V72 F335I5-L27 HydrophobicContact CB-CD1 4.5Å; I5-L27 HydrophobicContact CG2-CD1 4.27Å; I5-L27 WeakPolarHBondContact O-CA 3.33Å; L7-L27 HydrophobicContact CB-CD1 4.49Å; L7-L27 HydrophobicContact CD1-CD1 3.99Å; L7-L27 HydrophobicContact CG-CD1 4.33Å; K16-L27 HydrophobicContact CB-CD2 3.95Å; I17-L27 HydrophobicContact CD1-CD2 3.89Å; S20-L27 WeakPolarHBondContact OG-CB 3.44Å; K25-L27 PolarHBondContact O-N 3.13Å; L27-L29 HydrophobicContact CD1-CD2 3.56Å; L27-L29 HydrophobicContact CD1-CG 4.13Å; L27-L29 HydrophobicContact CD2-CD1 4.26Å; L27-L29 HydrophobicContact CD2-CD2 4Å; L27-L29 HydrophobicContact CD2-CG 3.99Å; L27-L29 HydrophobicContact CG-CD2 3.95Å; L27-L29 HydrophobicContact CG-CG 3.97Å; L27-S71 CarbonylContact O-C 3.57Å; L27-S71 WeakPolarHBondContact O-CA 3.38Å; L27-V72 HydrophobicContact CB-CB 4.4Å; L27-V72 PolarHBondContact N-O 3.33Å; L27-V72 PolarHBondContact O-N 2.94Å; L27-F335 HydrophobicContact CD1-CZ 3.83Å; L27-F335 HydrophobicContact CD2-CZ 4.31Å; L27-F335 HydrophobicContact CG-CZ 4.44Å
28V98Very high95.9Very high21 Ų2153.8 Ų53.813%0.12727%0.269CS..EExtended strand (participates in β ladder)trans-122.5112.4167-177.90000108.1T4 I5 L6 L7 K30 I69 V70T4-V28 HydrophobicContact CG2-CG2 3.9Å; I5-V28 PolarHBondContact O-N 3.13Å; L6-V28 HydrophobicContact CD1-CB 3.96Å; L6-V28 HydrophobicContact CD1-CG1 3.92Å; L7-V28 PolarHBondContact N-O 2.95Å; V28-K30 HydrophobicContact CG1-CG 4.18Å; V28-I69 HydrophobicContact CG1-CG2 4.19Å; V28-V70 CarbonylContact C-O 3.56Å; V28-V70 WeakPolarHBondContact CA-O 3.41Å
29L97.5Very high95.7Very high0 Ų057.1 Ų57.10%029%0.291CS..EExtended strand (participates in β ladder)trans-93.9124.5171.9-60.1-177.3000108.6L7 F13 K16 I17 L27 I32 I69 V70L7-L29 HydrophobicContact CB-CD2 3.75Å; L7-L29 HydrophobicContact CD1-CD2 4.45Å; L7-L29 WeakPolarHBondContact O-CA 3.34Å; F13-L29 HydrophobicContact CD2-CD1 3.74Å; F13-L29 HydrophobicContact CE2-CD1 3.47Å; F13-L29 VanDerWaalsContact CE2-CD1 3.47Å; F13-L29 HydrophobicContact CZ-CD1 4.37Å; K16-L29 HydrophobicContact CD-CD1 4.34Å; K16-L29 HydrophobicContact CD-CD2 3.81Å; I17-L29 HydrophobicContact CD1-CD1 4.46Å; L27-L29 HydrophobicContact CD1-CD2 3.56Å; L27-L29 HydrophobicContact CD1-CG 4.13Å; L27-L29 HydrophobicContact CD2-CD1 4.26Å; L27-L29 HydrophobicContact CD2-CD2 4Å; L27-L29 HydrophobicContact CD2-CG 3.99Å; L27-L29 HydrophobicContact CG-CD2 3.95Å; L27-L29 HydrophobicContact CG-CG 3.97Å; L29-I32 HydrophobicContact CB-CD1 4Å; L29-I32 HydrophobicContact CB-CG1 4.35Å; L29-I69 CarbonylContact O-C 3.55Å; L29-I69 WeakPolarHBondContact O-CA 3.32Å; L29-I69 WeakPolarHBondContact O-CG2 3.43Å; L29-V70 HydrophobicContact CB-CB 4.32Å; L29-V70 PolarHBondContact N-O 3.22Å; L29-V70 PolarHBondContact O-N 3.07Å
30K97.4Very high95.6Very high83 Ų8357.2 Ų57.236%0.36129%0.291SS..EExtended strand (participates in β ladder)trans-112.3164.5174.7-65-173.5179.9173.10110.9L6 L7 E8 G9 V28 I32 T68 I69L6-K30 HydrophobicContact CD1-CD 3.74Å; L6-K30 VanDerWaalsContact CD1-CE 3.49Å; L6-K30 HydrophobicContact CD1-CG 3.92Å; L7-K30 PolarHBondContact O-N 3.07Å; E8-K30 CarbonylContact C-O 3.59Å; E8-K30 VanDerWaalsContact CA-O 3.32Å; E8-K30 WeakPolarHBondContact CA-O 3.35Å; G9-K30 PolarHBondContact N-O 2.61Å; V28-K30 HydrophobicContact CG1-CG 4.18Å; K30-I32 PolarHBondContact O-N 3.24Å; K30-T68 CarbonylContact C-O 3.42Å; K30-I69 HydrophobicContact CG-CG1 4.43Å; K30-I69 HydrophobicContact CG-CG2 4.46Å
31R96.3Very high95.6Very high132 Ų13258.5 Ų58.550%0.49830%0.299SS..  trans59.930.8168.6-66.6-179.7-178.8167.4-4.7113.8E8 R33 H34 T68E8-R31 IonicContact OE1-CZ 3.54Å; E8-R31 IonicContact OE1-NE 3.87Å; E8-R31 IonicContact OE1-NH1 3Å; E8-R31 PolarHBondContact OE1-NH1 2.88Å; E8-R31 WeakPolarHBondContact OE2-CD 3.48Å; E8-R31 IonicContact OE2-CZ 3.87Å; E8-R31 IonicContact OE2-NH1 2.95Å; E8-R31 PolarHBondContact OE2-NH1 3.44Å; R31-R33 PolarHBondContact O-N 3.12Å; R31-R33 VanDerWaalsContact O-N 3.09Å; R31-H34 WeakPolarHBondContact CB-ND1 3.24Å; R31-H34 PolarHBondContact O-ND1 2.88Å; R31-H34 VanDerWaalsContact O-ND1 3.13Å; R31-T68 PolarHBondContact N-O 3.33Å
32I97.1Very high95.6Very high0 Ų060.8 Ų60.80%031%0.311CS..THydrogen-bonded Turntrans-65.8110.2176.5-56.1175.6000108.4H10 F13 L29 K30 H34 G40 V41 T68 V70H10-I32 HydrophobicContact CB-CG2 4.13Å; F13-I32 HydrophobicContact CE2-CD1 4.42Å; L29-I32 HydrophobicContact CB-CD1 4Å; L29-I32 HydrophobicContact CB-CG1 4.35Å; K30-I32 PolarHBondContact O-N 3.24Å; I32-H34 PolarHBondContact O-N 3.36Å; I32-G40 WeakPolarHBondContact CG2-O 3.46Å; I32-G40 WeakPolarHBondContact O-CA 3.35Å; I32-G40 PolarHBondContact O-N 3.1Å; I32-V41 HydrophobicContact CD1-CG1 3.74Å; I32-V41 HydrophobicContact CG2-CG1 4.33Å; I32-T68 PolarHBondContact N-O 3.02Å; I32-V70 HydrophobicContact CD1-CB 4.16Å; I32-V70 HydrophobicContact CD1-CG2 3.57Å
33R96.8Very high95.6Very high31 Ų3165.5 Ų65.512%0.11734%0.337CS..THydrogen-bonded Turntrans48.628.2178.9-69.4-179.3-76.7-90.8-17.5114.7R31 K35 N36 P39 G40 V41 D42 E45R31-R33 PolarHBondContact O-N 3.12Å; R31-R33 VanDerWaalsContact O-N 3.09Å; R33-K35 PolarHBondContact O-N 3.36Å; R33-N36 HydrophobicContact CB-CB 4.08Å; R33-N36 WeakPolarHBondContact O-CB 3.33Å; R33-N36 PolarHBondContact O-N 3Å; R33-P39 WeakPolarHBondContact O-CA 3.36Å; R33-G40 VanDerWaalsContact CZ-O 3.31Å; R33-G40 PolarHBondContact NE-O 2.82Å; R33-G40 PolarHBondContact NH2-O 3.31Å; R33-V41 VanDerWaalsContact NH2-CA 3.34Å; R33-D42 IonicContact CZ-OD2 3.72Å; R33-D42 IonicContact NH1-OD2 3.4Å; R33-D42 PolarHBondContact NH1-OD2 3.04Å; R33-D42 VanDerWaalsContact NH2-N 3.12Å; R33-D42 IonicContact NH2-OD2 3.06Å; R33-E45 IonicContact CZ-OE1 3.34Å; R33-E45 IonicContact CZ-OE2 2.75Å; R33-E45 IonicContact NH1-OE1 2.65Å; R33-E45 PolarHBondContact NH1-OE1 2.86Å; R33-E45 IonicContact NH1-OE2 3.78Å; R33-E45 IonicContact NH2-OE1 3.7Å; R33-E45 PolarHBondContact NH2-OE1 3.11Å; R33-E45 IonicContact NH2-OE2 3.67Å; R33-E45 PolarHBondContact NH2-OE2 2.98Å
34H93Very high95.7Very high94 Ų9464.2 Ų64.244%0.43533%0.328SS..THydrogen-bonded Turntrans-63.5-11.4-173.472-67.9000115.8R31 I32 T68R31-H34 WeakPolarHBondContact CB-ND1 3.24Å; R31-H34 PolarHBondContact O-ND1 2.88Å; R31-H34 VanDerWaalsContact O-ND1 3.13Å; I32-H34 PolarHBondContact O-N 3.36Å; H34-T68 HydrophobicContact CB-CG2 4.23Å
35K93.8Very high95.9Very high175 Ų17561.2 Ų61.276%0.76131%0.307SS*.THydrogen-bonded Turntrans-111.41.2176.2-63.8-176.6177.7-175.20112.9R33R33-K35 PolarHBondContact O-N 3.36Å
36N93Very high96Very high91 Ų9160.6 Ų60.649%0.48731%0.307SS..SBendtrans-89.7158.8179.5-63.227.4000109.6R33 S38R33-N36 HydrophobicContact CB-CB 4.08Å; R33-N36 WeakPolarHBondContact O-CB 3.33Å; R33-N36 PolarHBondContact O-N 3Å; N36-S38 PolarHBondContact O-N 3.48Å
37D92.4Very high96Very high169 Ų16957.6 Ų57.690%0.90430%0.295SS*.SBendtrans-60.2-31.1176.1-58.2-34.7000112.6P39D37-P39 VanDerWaalsContact O-CD 3.23Å; D37-P39 WeakPolarHBondContact O-CD 3.31Å
38S92.3Very high96Very high97 Ų9757.6 Ų57.668%0.67830%0.295SS*.SBendtrans-10987.3171-600000110N36N36-S38 PolarHBondContact O-N 3.48Å
39P94.8Very high96Very high70 Ų7056.8 Ų56.846%0.45529%0.29SS..  trans-73.1154.8-179.230.2-35.8000112.7R33 D37 T68R33-P39 WeakPolarHBondContact O-CA 3.36Å; D37-P39 VanDerWaalsContact O-CD 3.23Å; D37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-T68 HydrophobicContact CB-CG2 4.07Å
40G96.4Very high96Very high1 Ų162.7 Ų62.71%0.0132%0.316CS..SBendtrans88.6-171173.100000115.1I32 R33 G67I32-G40 WeakPolarHBondContact CG2-O 3.46Å; I32-G40 WeakPolarHBondContact O-CA 3.35Å; I32-G40 PolarHBondContact O-N 3.1Å; R33-G40 VanDerWaalsContact CZ-O 3.31Å; R33-G40 PolarHBondContact NE-O 2.82Å; R33-G40 PolarHBondContact NH2-O 3.31Å; G40-G67 CarbonylContact C-O 3.57Å; G40-G67 WeakPolarHBondContact CA-O 3.41Å
41V96.8Very high96Very high27 Ų2758.8 Ų58.816%0.16430%0.299CS..  trans-63.9139.7177.4-71.10000111.9F13 I32 R33 E45 V46 I63 G67 V70F13-V41 HydrophobicContact CE2-CG1 4.35Å; F13-V41 HydrophobicContact CZ-CG1 4.42Å; I32-V41 HydrophobicContact CD1-CG1 3.74Å; I32-V41 HydrophobicContact CG2-CG1 4.33Å; R33-V41 VanDerWaalsContact NH2-CA 3.34Å; V41-E45 VanDerWaalsContact CA-OE2 3.3Å; V41-E45 WeakPolarHBondContact CA-OE2 3.46Å; V41-E45 HydrophobicContact CB-CB 4.19Å; V41-E45 HydrophobicContact CG1-CB 4.38Å; V41-E45 WeakPolarHBondContact CG1-OE2 3.37Å; V41-V46 HydrophobicContact CB-CG2 4.23Å; V41-V46 HydrophobicContact CG2-CG2 3.65Å; V41-I63 HydrophobicContact CG2-CD1 4.27Å; V41-I63 HydrophobicContact CG2-CG2 3.97Å; V41-G67 PolarHBondContact N-O 3.43Å; V41-V70 HydrophobicContact CG1-CG2 3.39Å
42D96.1Very high96.1Very high52 Ų5252.5 Ų52.528%0.27828%0.275SS..  trans-87.5175173.864.236.7000111.4R33 A44 E45 V46R33-D42 IonicContact CZ-OD2 3.72Å; R33-D42 IonicContact NH1-OD2 3.4Å; R33-D42 PolarHBondContact NH1-OD2 3.04Å; R33-D42 VanDerWaalsContact NH2-N 3.12Å; R33-D42 IonicContact NH2-OD2 3.06Å; D42-A44 VanDerWaalsContact C-N 3.27Å; D42-A44 PolarHBondContact O-N 2.94Å; D42-A44 PolarHBondContact OD1-N 3.46Å; D42-E45 PolarHBondContact N-OE2 2.93Å; D42-E45 PolarHBondContact O-N 3.48Å; D42-E45 WeakPolarHBondContact OD1-CB 3.48Å; D42-E45 WeakPolarHBondContact OD1-CG 3.16Å; D42-E45 PolarHBondContact OD1-N 3.32Å; D42-V46 WeakPolarHBondContact O-CG2 3.46Å; D42-V46 PolarHBondContact O-N 3.18Å
43N96.3Very high96.1Very high110 Ų11056.5 Ų56.559%0.58830%0.297SS*.Hα-helixtrans-64.9-31.4-176.9-57.5-50.9000112.6C47 D89N43-C47 VanDerWaalsContact O-CB 3.29Å; N43-C47 WeakPolarHBondContact O-CB 3.29Å; N43-C47 PolarHBondContact O-N 3.21Å; N43-D89 WeakPolarHBondContact CB-OD2 3.37Å; N43-D89 PolarHBondContact ND2-OD2 3.15Å
44A97Very high96Very high0 Ų060 Ų600%031%0.313CS..Hα-helixtrans-70.2-40.3178.500000111.6D42 C47 L48 D89 R90 Y95D42-A44 VanDerWaalsContact C-N 3.27Å; D42-A44 PolarHBondContact O-N 2.94Å; D42-A44 PolarHBondContact OD1-N 3.46Å; A44-C47 PolarHBondContact O-N 3.36Å; A44-L48 PolarHBondContact O-N 2.84Å; A44-D89 HydrophobicContact CB-CB 4.35Å; A44-R90 HydrophobicContact CB-CB 3.87Å; A44-R90 HydrophobicContact CB-CG 3.35Å; A44-Y95 WeakPolarHBondContact CA-OH 3.34Å
45E98Very high96.2Very high7 Ų755.6 Ų55.63%0.03329%0.292CS..Hα-helixtrans-66.7-41.8173.4-69.8169.4-171.600111.8H10 F13 R33 V41 D42 C47 L48 L49H10-E45 WeakPolarHBondContact CB-OE1 3.34Å; F13-E45 HydrophobicContact CB-CG 4.39Å; F13-E45 HydrophobicContact CD1-CB 4.06Å; F13-E45 HydrophobicContact CD1-CG 3.77Å; F13-E45 HydrophobicContact CD2-CG 4.18Å; F13-E45 HydrophobicContact CE1-CB 3.77Å; F13-E45 HydrophobicContact CE1-CG 4.01Å; F13-E45 HydrophobicContact CE2-CB 4.43Å; F13-E45 HydrophobicContact CE2-CG 4.39Å; F13-E45 HydrophobicContact CG-CG 3.87Å; F13-E45 HydrophobicContact CZ-CB 3.97Å; F13-E45 HydrophobicContact CZ-CG 4.31Å; R33-E45 IonicContact CZ-OE1 3.34Å; R33-E45 IonicContact CZ-OE2 2.75Å; R33-E45 IonicContact NH1-OE1 2.65Å; R33-E45 PolarHBondContact NH1-OE1 2.86Å; R33-E45 IonicContact NH1-OE2 3.78Å; R33-E45 IonicContact NH2-OE1 3.7Å; R33-E45 PolarHBondContact NH2-OE1 3.11Å; R33-E45 IonicContact NH2-OE2 3.67Å; R33-E45 PolarHBondContact NH2-OE2 2.98Å; V41-E45 VanDerWaalsContact CA-OE2 3.3Å; V41-E45 WeakPolarHBondContact CA-OE2 3.46Å; V41-E45 HydrophobicContact CB-CB 4.19Å; V41-E45 HydrophobicContact CG1-CB 4.38Å; V41-E45 WeakPolarHBondContact CG1-OE2 3.37Å; D42-E45 PolarHBondContact N-OE2 2.93Å; D42-E45 PolarHBondContact O-N 3.48Å; D42-E45 WeakPolarHBondContact OD1-CB 3.48Å; D42-E45 WeakPolarHBondContact OD1-CG 3.16Å; D42-E45 PolarHBondContact OD1-N 3.32Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.36Å; E45-L48 WeakPolarHBondContact O-CB 3.33Å; E45-L48 PolarHBondContact O-N 3.41Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 2.75Å
46V97.5Very high96.3Very high39 Ų3947.9 Ų47.924%0.23626%0.261CS..Hα-helixtrans-60.2-42.8172.1173.10000110.7V41 D42 L48 L49 K50 I63V41-V46 HydrophobicContact CB-CG2 4.23Å; V41-V46 HydrophobicContact CG2-CG2 3.65Å; D42-V46 WeakPolarHBondContact O-CG2 3.46Å; D42-V46 PolarHBondContact O-N 3.18Å; V46-L48 VanDerWaalsContact C-N 3.33Å; V46-L48 PolarHBondContact O-N 3.37Å; V46-L49 PolarHBondContact O-N 2.92Å; V46-K50 WeakPolarHBondContact O-CG 3.44Å; V46-K50 PolarHBondContact O-N 3.19Å; V46-I63 HydrophobicContact CG2-CD1 4.35Å
47C97.7Very high96.4Very high10 Ų1048.5 Ų48.57%0.06826%0.264CS..Hα-helixtrans-65.1-37.1177.2-169.70000112N43 A44 E45 K50 L51 E85 Y95N43-C47 VanDerWaalsContact O-CB 3.29Å; N43-C47 WeakPolarHBondContact O-CB 3.29Å; N43-C47 PolarHBondContact O-N 3.21Å; A44-C47 PolarHBondContact O-N 3.36Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.36Å; C47-K50 WeakPolarHBondContact O-CB 3.48Å; C47-K50 PolarHBondContact O-N 2.84Å; C47-L51 PolarHBondContact O-N 3.16Å; C47-E85 PolarHBondContact SG-O 2.98Å; C47-Y95 HydrophobicContact CB-CE1 3.88Å
48L98.3Very high96.5Very high0 Ų043.5 Ų43.50%025%0.252CS..Hα-helixtrans-64.9-40.5173.3-169.676000112.5F13 R14 I17 A44 E45 V46 K50 L51 A52 Y94 Y95 F98F13-L48 HydrophobicContact CD1-CD2 3.63Å; F13-L48 HydrophobicContact CE1-CD2 4.01Å; R14-L48 HydrophobicContact CB-CD2 4.27Å; R14-L48 HydrophobicContact CG-CD2 3.91Å; I17-L48 HydrophobicContact CG1-CD2 4.27Å; A44-L48 PolarHBondContact O-N 2.84Å; E45-L48 WeakPolarHBondContact O-CB 3.33Å; E45-L48 PolarHBondContact O-N 3.41Å; V46-L48 VanDerWaalsContact C-N 3.33Å; V46-L48 PolarHBondContact O-N 3.37Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-L51 HydrophobicContact CD1-CD2 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.45Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.16Å; L48-A52 WeakPolarHBondContact O-CB 3.29Å; L48-A52 PolarHBondContact O-N 3.06Å; L48-Y94 HydrophobicContact CB-CE1 3.93Å; L48-Y94 HydrophobicContact CD1-CD1 4.27Å; L48-Y94 HydrophobicContact CD1-CE1 3.86Å; L48-Y94 HydrophobicContact CD2-CE1 3.94Å; L48-Y94 HydrophobicContact CG-CE1 4.1Å; L48-Y95 HydrophobicContact CB-CE1 4.36Å; L48-Y95 HydrophobicContact CD1-CD1 3.95Å; L48-F98 HydrophobicContact CD1-CB 3.7Å; L48-F98 HydrophobicContact CD1-CD1 3.96Å; L48-F98 HydrophobicContact CD1-CD2 4.22Å; L48-F98 HydrophobicContact CD1-CG 3.69Å; L48-F98 HydrophobicContact CG-CG 4.5Å
49L98.1Very high96.7Very high5 Ų539.3 Ų39.33%0.02622%0.223CC..Hα-helixtrans-62.8-40.4174.6-69173.9000110.8F13 I17 E45 V46 L51 A52 D53 I61 I63 V70 V72F13-L49 HydrophobicContact CE1-CD2 4.12Å; F13-L49 HydrophobicContact CE1-CG 4.08Å; F13-L49 HydrophobicContact CZ-CD1 4.13Å; F13-L49 HydrophobicContact CZ-CD2 4.03Å; F13-L49 HydrophobicContact CZ-CG 4.04Å; I17-L49 HydrophobicContact CD1-CD2 3.87Å; I17-L49 HydrophobicContact CG1-CD2 4.16Å; E45-L49 WeakPolarHBondContact O-CG 3.34Å; E45-L49 PolarHBondContact O-N 2.75Å; V46-L49 PolarHBondContact O-N 2.92Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 2.83Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 2.88Å; L49-D53 PolarHBondContact O-N 2.91Å; L49-I61 HydrophobicContact CB-CD1 4.07Å; L49-I61 HydrophobicContact CB-CG2 4.22Å; L49-I61 HydrophobicContact CD1-CG2 4.05Å; L49-I61 HydrophobicContact CD2-CD1 4.21Å; L49-I61 HydrophobicContact CD2-CG2 4.01Å; L49-I61 HydrophobicContact CG-CG2 4.31Å; L49-I61 WeakPolarHBondContact O-CD1 3.48Å; L49-I63 HydrophobicContact CD1-CD1 3.81Å; L49-I63 HydrophobicContact CD1-CG1 4.16Å; L49-V70 HydrophobicContact CD1-CG1 3.92Å; L49-V70 HydrophobicContact CD1-CG2 4.41Å; L49-V70 HydrophobicContact CD2-CG1 4.17Å; L49-V72 HydrophobicContact CD2-CG2 4.08Å
50K97.4Very high96.8Very high124 Ų12438.2 Ų38.254%0.53922%0.219SC..Hα-helixtrans-61.8-39.3171.2-69.7175.3-179.7177.60112.2V46 C47 L48 D53 K54V46-K50 WeakPolarHBondContact O-CG 3.44Å; V46-K50 PolarHBondContact O-N 3.19Å; C47-K50 WeakPolarHBondContact O-CB 3.48Å; C47-K50 PolarHBondContact O-N 2.84Å; L48-K50 VanDerWaalsContact C-N 3.3Å; K50-D53 PolarHBondContact O-N 2.82Å; K50-K54 WeakPolarHBondContact O-CG 3.2Å; K50-K54 PolarHBondContact O-N 3.06Å
51L98Very high96.8Very high0 Ų040.2 Ų40.20%023%0.229CC..Hα-helixtrans-62.4-46.5174.8-179.256.7000111.1C47 L48 L49 D53 K54 I55 F82 L84 Y95 F98 L99C47-L51 PolarHBondContact O-N 3.16Å; L48-L51 HydrophobicContact CD1-CD2 4.34Å; L48-L51 WeakPolarHBondContact O-CB 3.45Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.16Å; L49-L51 VanDerWaalsContact C-N 3.33Å; L49-L51 PolarHBondContact O-N 2.83Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.45Å; L51-K54 PolarHBondContact O-N 2.89Å; L51-I55 HydrophobicContact CD1-CG2 4.21Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 2.75Å; L51-I55 VanDerWaalsContact O-N 3.11Å; L51-F82 HydrophobicContact CD1-CE2 3.41Å; L51-F82 VanDerWaalsContact CD1-CE2 3.41Å; L51-F82 HydrophobicContact CD1-CZ 3.69Å; L51-L84 HydrophobicContact CB-CD2 3.64Å; L51-L84 HydrophobicContact CD1-CD2 3.81Å; L51-L84 HydrophobicContact CD2-CD2 4.3Å; L51-L84 HydrophobicContact CG-CD2 4.12Å; L51-Y95 HydrophobicContact CD2-CD1 4.1Å; L51-F98 HydrophobicContact CD2-CD1 3.81Å; L51-F98 HydrophobicContact CD2-CE1 4.23Å; L51-F98 HydrophobicContact CG-CD1 4.18Å; L51-F98 HydrophobicContact CG-CE1 4.08Å; L51-L99 HydrophobicContact CD1-CD2 4.24Å; L51-L99 HydrophobicContact CD2-CD1 4.46Å; L51-L99 HydrophobicContact CD2-CD2 4.27Å; L51-L99 HydrophobicContact CD2-CG 4.13Å; L51-L99 HydrophobicContact CG-CD2 4.47Å
52A97.8Very high96.8Very high0 Ų046.1 Ų46.10%025%0.253CS..Hα-helixtrans-58.3-42.8176.100000111.8I17 L21 L48 L49 I55 S56 I61 F98I17-A52 HydrophobicContact CG2-CB 3.91Å; L21-A52 HydrophobicContact CD1-CB 4.06Å; L48-A52 WeakPolarHBondContact O-CB 3.29Å; L48-A52 PolarHBondContact O-N 3.06Å; L49-A52 WeakPolarHBondContact O-CB 3.39Å; L49-A52 PolarHBondContact O-N 2.88Å; A52-I55 VanDerWaalsContact O-CG1 3.27Å; A52-I55 WeakPolarHBondContact O-CG1 3.37Å; A52-S56 WeakPolarHBondContact O-CB 3.4Å; A52-S56 PolarHBondContact O-N 3.33Å; A52-S56 PolarHBondContact O-OG 2.79Å; A52-I61 HydrophobicContact CB-CD1 4.32Å; A52-F98 HydrophobicContact CB-CE1 4.42Å; A52-F98 HydrophobicContact CB-CZ 3.82Å
53D96.1Very high96.9Very high84 Ų8447 Ų4745%0.44926%0.257SS..Hα-helixtrans-63.3-45.9174.6-168.154000111.6L49 K50 L51 I55 S56 I61L49-D53 PolarHBondContact O-N 2.91Å; K50-D53 PolarHBondContact O-N 2.82Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.45Å; D53-I55 VanDerWaalsContact C-N 3.34Å; D53-I55 PolarHBondContact O-N 2.85Å; D53-S56 PolarHBondContact O-N 3.12Å; D53-I61 HydrophobicContact CB-CD1 4.18Å
54K96.2Very high96.8Very high105 Ų10544.2 Ų44.246%0.45724%0.242SC..Hα-helixtrans-60.7-35.5178.9-79-164177.4-151.60114.7K50 L51 S56 F82 S83K50-K54 WeakPolarHBondContact O-CG 3.2Å; K50-K54 PolarHBondContact O-N 3.06Å; L51-K54 PolarHBondContact O-N 2.89Å; K54-S56 VanDerWaalsContact C-N 3.34Å; K54-F82 HydrophobicContact CD-CB 4.38Å; K54-F82 HydrophobicContact CD-CD2 4.06Å; K54-F82 HydrophobicContact CD-CG 4.35Å; K54-S83 PolarHBondContact NZ-O 3.37Å
55I96.4Very high96.6Very high1 Ų152.6 Ų52.61%0.00529%0.287CS..Hα-helixtrans-85.8-9.2-177.964.9168.9000113.4L51 A52 D53 L77 I78 G79 F82 F98 L99 V102L51-I55 HydrophobicContact CD1-CG2 4.21Å; L51-I55 WeakPolarHBondContact O-CG1 3.33Å; L51-I55 PolarHBondContact O-N 2.75Å; L51-I55 VanDerWaalsContact O-N 3.11Å; A52-I55 VanDerWaalsContact O-CG1 3.27Å; A52-I55 WeakPolarHBondContact O-CG1 3.37Å; D53-I55 VanDerWaalsContact C-N 3.34Å; D53-I55 PolarHBondContact O-N 2.85Å; I55-L77 HydrophobicContact CD1-CD2 4Å; I55-L77 HydrophobicContact CG1-CD2 4.27Å; I55-I78 PolarHBondContact O-N 3.29Å; I55-G79 PolarHBondContact O-N 3.14Å; I55-F82 HydrophobicContact CG2-CE1 3.61Å; I55-F82 HydrophobicContact CG2-CZ 3.48Å; I55-F82 VanDerWaalsContact CG2-CZ 3.48Å; I55-F98 HydrophobicContact CD1-CE1 3.6Å; I55-F98 HydrophobicContact CD1-CZ 3.86Å; I55-L99 HydrophobicContact CG2-CD2 4.31Å; I55-V102 HydrophobicContact CD1-CB 4.27Å; I55-V102 HydrophobicContact CD1-CG2 3.43Å; I55-V102 VanDerWaalsContact CD1-CG2 3.43Å
56S95.9Very high96.3Very high14 Ų1456.3 Ų56.310%0.09831%0.31CS..EExtended strand (participates in β ladder)trans-124.8162.3-173.266.90000111.3A52 D53 K54 T59 T76A52-S56 WeakPolarHBondContact O-CB 3.4Å; A52-S56 PolarHBondContact O-N 3.33Å; A52-S56 PolarHBondContact O-OG 2.79Å; D53-S56 PolarHBondContact O-N 3.12Å; K54-S56 VanDerWaalsContact C-N 3.34Å; S56-T59 VanDerWaalsContact CB-OG1 3.22Å; S56-T59 WeakPolarHBondContact CB-OG1 3.4Å; S56-T59 WeakPolarHBondContact OG-CB 3.45Å; S56-T59 PolarHBondContact OG-OG1 3.14Å; S56-T76 CarbonylContact C-O 3.39Å; S56-T76 VanDerWaalsContact CA-O 3.23Å; S56-T76 WeakPolarHBondContact CA-O 3.46Å; S56-T76 WeakPolarHBondContact CB-O 3.44Å
57N95.6Very high96.2Very high104 Ų10454.9 Ų54.956%0.55630%0.303SS*.EExtended strand (participates in β ladder)trans-125131.5175.2-176.927.2000109.7T59 G75 T76 I78N57-T59 VanDerWaalsContact C-N 3.26Å; N57-T59 PolarHBondContact O-N 2.93Å; N57-G75 CarbonylContact O-C 3.43Å; N57-G75 WeakPolarHBondContact O-CA 3.31Å; N57-T76 PolarHBondContact N-O 3.07Å; N57-T76 PolarHBondContact O-N 3.06Å; N57-I78 HydrophobicContact CB-CD1 3.34Å; N57-I78 HydrophobicContact CB-CG1 3.94Å
58G93.8Very high96.1Very high64 Ų6455.5 Ų55.566%0.6631%0.307SS*.SBendtrans76.47.8-176.700000114.6A60G58-A60 PolarHBondContact O-N 2.84Å
59T96.3Very high96.1Very high9 Ų958.2 Ų58.26%0.05532%0.321CS..  trans-69.9118.2171.4-62.80000109L21 S56 N57 I61 V72 S73 G75L21-T59 HydrophobicContact CD2-CG2 4.06Å; S56-T59 VanDerWaalsContact CB-OG1 3.22Å; S56-T59 WeakPolarHBondContact CB-OG1 3.4Å; S56-T59 WeakPolarHBondContact OG-CB 3.45Å; S56-T59 PolarHBondContact OG-OG1 3.14Å; N57-T59 VanDerWaalsContact C-N 3.26Å; N57-T59 PolarHBondContact O-N 2.93Å; T59-I61 HydrophobicContact CG2-CD1 4.25Å; T59-I61 HydrophobicContact CG2-CG1 3.82Å; T59-V72 HydrophobicContact CG2-CG1 3.96Å; T59-S73 CarbonylContact C-O 3.59Å; T59-S73 VanDerWaalsContact CA-O 3.29Å; T59-S73 WeakPolarHBondContact CA-O 3.4Å; T59-G75 PolarHBondContact OG1-N 3.09Å
60A96.8Very high96.1Very high46 Ų4658 Ų5838%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-96.6108.1176.700000109.9G58 S73G58-A60 PolarHBondContact O-N 2.84Å; A60-S73 PolarHBondContact N-O 2.93Å; A60-S73 PolarHBondContact O-N 2.99Å
61I97.4Very high96.1Very high44 Ų4453.5 Ų53.523%0.22630%0.304CS..EExtended strand (participates in β ladder)trans-102.4124.8175.5-53.9-179000108.7L49 A52 D53 T59 S71 V72L49-I61 HydrophobicContact CB-CD1 4.07Å; L49-I61 HydrophobicContact CB-CG2 4.22Å; L49-I61 HydrophobicContact CD1-CG2 4.05Å; L49-I61 HydrophobicContact CD2-CD1 4.21Å; L49-I61 HydrophobicContact CD2-CG2 4.01Å; L49-I61 HydrophobicContact CG-CG2 4.31Å; L49-I61 WeakPolarHBondContact O-CD1 3.48Å; A52-I61 HydrophobicContact CB-CD1 4.32Å; D53-I61 HydrophobicContact CB-CD1 4.18Å; T59-I61 HydrophobicContact CG2-CD1 4.25Å; T59-I61 HydrophobicContact CG2-CG1 3.82Å; I61-S71 WeakPolarHBondContact CA-O 3.19Å; I61-V72 HydrophobicContact CG1-CG1 4.43Å; I61-V72 HydrophobicContact CG1-CG2 4.4Å; I61-V72 HydrophobicContact CG2-CG2 4.38Å
62K96.8Very high96.1Very high151 Ų15153.5 Ų53.566%0.65730%0.304SS*.EExtended strand (participates in β ladder)trans-125.5127.5175.1-63.2-172.2179.1-171.60109.9V70 S71K62-V70 CarbonylContact O-C 3.45Å; K62-V70 WeakPolarHBondContact O-CA 3.35Å; K62-S71 PolarHBondContact N-O 3.08Å; K62-S71 PolarHBondContact O-N 3.16Å
63I96.8Very high96.1Very high71 Ų7155.4 Ų55.436%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-110.4130.2173.1-53.4175.6000105.6V41 V46 L49 V70V41-I63 HydrophobicContact CG2-CD1 4.27Å; V41-I63 HydrophobicContact CG2-CG2 3.97Å; V46-I63 HydrophobicContact CG2-CD1 4.35Å; L49-I63 HydrophobicContact CD1-CD1 3.81Å; L49-I63 HydrophobicContact CD1-CG1 4.16Å; I63-V70 HydrophobicContact CG1-CG2 4.37Å
64N95.2Very high96Very high50 Ų5052.9 Ų52.927%0.26731%0.305SS..  trans-71.5167.6175.170-27.1000111.3T66 G67 T68 I69N64-T66 PolarHBondContact ND2-OG1 2.86Å; N64-T66 VanDerWaalsContact ND2-OG1 3.07Å; N64-T66 PolarHBondContact O-N 2.88Å; N64-T66 VanDerWaalsContact O-N 3.08Å; N64-G67 PolarHBondContact O-N 2.91Å; N64-G67 VanDerWaalsContact OD1-C 3.22Å; N64-G67 WeakPolarHBondContact OD1-CA 3.48Å; N64-G67 PolarHBondContact OD1-N 2.81Å; N64-T68 PolarHBondContact ND2-OG1 3.15Å; N64-T68 VanDerWaalsContact ND2-OG1 3.15Å; N64-T68 PolarHBondContact OD1-N 3.04Å; N64-I69 HydrophobicContact CB-CB 4.24Å; N64-I69 PolarHBondContact N-O 3.2Å; N64-I69 PolarHBondContact OD1-N 2.81Å; N64-I69 PolarHBondContact OD1-O 2.85Å
65D92.6Very high95.9Very high177 Ų17748.6 Ų48.695%0.94729%0.291SS*.THydrogen-bonded Turntrans-55.7-33.1-175.5-52.5-26.2000113.6
66T92.4Very high95.9Very high84 Ų8451.8 Ų51.852%0.51531%0.311SS..THydrogen-bonded Turntrans-89.3-2178.358.30000114.1N64 T68N64-T66 PolarHBondContact ND2-OG1 2.86Å; N64-T66 VanDerWaalsContact ND2-OG1 3.07Å; N64-T66 PolarHBondContact O-N 2.88Å; N64-T66 VanDerWaalsContact O-N 3.08Å; T66-T68 PolarHBondContact O-N 3.07Å; T66-T68 PolarHBondContact OG1-OG1 2.84Å
67G94.5Very high95.9Very high10 Ų1051.3 Ų51.310%0.10331%0.307CS..SBendtrans68.1-3.8-17500000115.6G40 V41 N64 I69G40-G67 CarbonylContact C-O 3.57Å; G40-G67 WeakPolarHBondContact CA-O 3.41Å; V41-G67 PolarHBondContact N-O 3.43Å; N64-G67 PolarHBondContact O-N 2.91Å; N64-G67 VanDerWaalsContact OD1-C 3.22Å; N64-G67 WeakPolarHBondContact OD1-CA 3.48Å; N64-G67 PolarHBondContact OD1-N 2.81Å; G67-I69 VanDerWaalsContact C-N 3.3Å; G67-I69 PolarHBondContact O-N 2.95Å
68T96.8Very high95.9Very high22 Ų2249 Ų4914%0.13529%0.294CS..SBendtrans-77.1-13.9-174.458.70000114.1K30 R31 I32 H34 P39 N64 T66K30-T68 CarbonylContact C-O 3.42Å; R31-T68 PolarHBondContact N-O 3.33Å; I32-T68 PolarHBondContact N-O 3.02Å; H34-T68 HydrophobicContact CB-CG2 4.23Å; P39-T68 HydrophobicContact CB-CG2 4.07Å; N64-T68 PolarHBondContact ND2-OG1 3.15Å; N64-T68 VanDerWaalsContact ND2-OG1 3.15Å; N64-T68 PolarHBondContact OD1-N 3.04Å; T66-T68 PolarHBondContact O-N 3.07Å; T66-T68 PolarHBondContact OG1-OG1 2.84Å
69I97.8Very high96Very high58 Ų5846.4 Ų46.430%0.29727%0.267SS..  trans-128.7123.4178.1-55.4175.6000109.6V28 L29 K30 N64 G67V28-I69 HydrophobicContact CG1-CG2 4.19Å; L29-I69 CarbonylContact O-C 3.55Å; L29-I69 WeakPolarHBondContact O-CA 3.32Å; L29-I69 WeakPolarHBondContact O-CG2 3.43Å; K30-I69 HydrophobicContact CG-CG1 4.43Å; K30-I69 HydrophobicContact CG-CG2 4.46Å; N64-I69 HydrophobicContact CB-CB 4.24Å; N64-I69 PolarHBondContact N-O 3.2Å; N64-I69 PolarHBondContact OD1-N 2.81Å; N64-I69 PolarHBondContact OD1-O 2.85Å; G67-I69 VanDerWaalsContact C-N 3.3Å; G67-I69 PolarHBondContact O-N 2.95Å
70V97.8Very high96Very high0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-117.8126.7173.9177.60000108.9V28 L29 I32 V41 L49 K62 I63 V72V28-V70 CarbonylContact C-O 3.56Å; V28-V70 WeakPolarHBondContact CA-O 3.41Å; L29-V70 HydrophobicContact CB-CB 4.32Å; L29-V70 PolarHBondContact N-O 3.22Å; L29-V70 PolarHBondContact O-N 3.07Å; I32-V70 HydrophobicContact CD1-CB 4.16Å; I32-V70 HydrophobicContact CD1-CG2 3.57Å; V41-V70 HydrophobicContact CG1-CG2 3.39Å; L49-V70 HydrophobicContact CD1-CG1 3.92Å; L49-V70 HydrophobicContact CD1-CG2 4.41Å; L49-V70 HydrophobicContact CD2-CG1 4.17Å; K62-V70 CarbonylContact O-C 3.45Å; K62-V70 WeakPolarHBondContact O-CA 3.35Å; I63-V70 HydrophobicContact CG1-CG2 4.37Å; V70-V72 HydrophobicContact CG1-CG2 3.99Å
71S97.5Very high96Very high30 Ų3048.9 Ų48.921%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-113.4123.2172.8-61.60000109.8L27 I61 K62L27-S71 CarbonylContact O-C 3.57Å; L27-S71 WeakPolarHBondContact O-CA 3.38Å; I61-S71 WeakPolarHBondContact CA-O 3.19Å; K62-S71 PolarHBondContact N-O 3.08Å; K62-S71 PolarHBondContact O-N 3.16Å
72V97.6Very high96Very high0 Ų048.2 Ų48.20%028%0.281CS..EExtended strand (participates in β ladder)trans-116.5116.9175.5-1790000108.5I17 K26 L27 L49 T59 I61 V70I17-V72 HydrophobicContact CD1-CG2 4.01Å; K26-V72 CarbonylContact C-O 3.59Å; K26-V72 WeakPolarHBondContact CA-O 3.48Å; L27-V72 HydrophobicContact CB-CB 4.4Å; L27-V72 PolarHBondContact N-O 3.33Å; L27-V72 PolarHBondContact O-N 2.94Å; L49-V72 HydrophobicContact CD2-CG2 4.08Å; T59-V72 HydrophobicContact CG2-CG1 3.96Å; I61-V72 HydrophobicContact CG1-CG1 4.43Å; I61-V72 HydrophobicContact CG1-CG2 4.4Å; I61-V72 HydrophobicContact CG2-CG2 4.38Å; V70-V72 HydrophobicContact CG1-CG2 3.99Å
73S97.1Very high96.1Very high40 Ų4044.1 Ų44.128%0.2827%0.271SS..EExtended strand (participates in β ladder)trans-103106.1169.4-49.60000107.1T59 A60T59-S73 CarbonylContact C-O 3.59Å; T59-S73 VanDerWaalsContact CA-O 3.29Å; T59-S73 WeakPolarHBondContact CA-O 3.4Å; A60-S73 PolarHBondContact N-O 2.93Å; A60-S73 PolarHBondContact O-N 2.99Å
74P95.8Very high96.1Very high30 Ų3041.3 Ų41.320%0.19526%0.257CS..  trans-66.7137.3-171.427.3-35.3000111.6S20 L21 C24S20-P74 WeakPolarHBondContact O-CG 3.11Å; L21-P74 HydrophobicContact CD2-CB 3.98Å; C24-P74 VanDerWaalsContact C-CG 3.41Å
75G93.9Very high96.2Very high16 Ų1646.5 Ų46.517%0.16528%0.279CS..  trans-102.5-155.9168.600000112N57 T59N57-G75 CarbonylContact O-C 3.43Å; N57-G75 WeakPolarHBondContact O-CA 3.31Å; T59-G75 PolarHBondContact OG1-N 3.09Å
76T95.2Very high96.5Very high67 Ų6738.6 Ų38.641%0.41124%0.238SC..EExtended strand (participates in β ladder)trans-85.6129-179.1-55.90000110.5S56 N57 I78 N387S56-T76 CarbonylContact C-O 3.39Å; S56-T76 VanDerWaalsContact CA-O 3.23Å; S56-T76 WeakPolarHBondContact CA-O 3.46Å; S56-T76 WeakPolarHBondContact CB-O 3.44Å; N57-T76 PolarHBondContact N-O 3.07Å; N57-T76 PolarHBondContact O-N 3.06Å; T76-I78 PolarHBondContact O-N 2.79Å; T76-N387 VanDerWaalsContact CG2-OD1 3.24Å; T76-N387 WeakPolarHBondContact CG2-OD1 3.37Å
77L96.6Very high96.6Very high4 Ų435.5 Ų35.52%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-75.4110.8173.5-70.5172.4000110.3L21 I55 V102 F105 C106 K107 N387L21-L77 HydrophobicContact CB-CD1 4.43Å; L21-L77 HydrophobicContact CB-CD2 4.2Å; L21-L77 HydrophobicContact CD1-CD2 4.21Å; I55-L77 HydrophobicContact CD1-CD2 4Å; I55-L77 HydrophobicContact CG1-CD2 4.27Å; L77-V102 HydrophobicContact CD1-CB 4.44Å; L77-F105 HydrophobicContact CD1-CB 3.84Å; L77-C106 WeakPolarHBondContact O-CA 3.27Å; L77-K107 PolarHBondContact O-N 3.22Å; L77-N387 PolarHBondContact O-ND2 3.29Å
78I95.6Very high96.7Very high57 Ų5737.7 Ų37.729%0.29223%0.229SC..  trans-96.3-48.4-179.3-59.8-167.6000110.5I55 N57 T76 K107 T108I55-I78 PolarHBondContact O-N 3.29Å; N57-I78 HydrophobicContact CB-CD1 3.34Å; N57-I78 HydrophobicContact CB-CG1 3.94Å; T76-I78 PolarHBondContact O-N 2.79Å; I78-K107 PolarHBondContact O-N 3.07Å; I78-K107 VanDerWaalsContact O-N 3.08Å; I78-T108 PolarHBondContact O-N 3.37Å; I78-T108 PolarHBondContact O-OG1 3.46Å
79G95.5Very high96.6Very high9 Ų939.7 Ų39.79%0.09324%0.239CC..  trans83.6-145.6-164.800000111.3I55I55-G79 PolarHBondContact O-N 3.14Å
80G96.1Very high96.5Very high20 Ų2040 Ų4021%0.20624%0.236CC..EExtended strand (participates in β ladder)trans108.4-177.1-177.900000113.7T108 P109 I110 E111G80-T108 PolarHBondContact N-OG1 2.85Å; G80-P109 WeakPolarHBondContact CA-O 3.49Å; G80-P109 PolarHBondContact N-O 3.43Å; G80-I110 WeakPolarHBondContact O-CA 3.43Å; G80-E111 PolarHBondContact O-N 3.49Å
81S97.6Very high96.4Very high86 Ų8640.1 Ų40.160%0.60124%0.237SC*.EExtended strand (participates in β ladder)trans-100.4127.5-176.5-45.50000111E111S81-E111 CarbonylContact C-O 3.53Å; S81-E111 WeakPolarHBondContact CA-O 3.49Å; S81-E111 PolarHBondContact OG-OE2 3.01Å
82F97.7Very high96.5Very high30 Ų3038.7 Ų38.713%0.13223%0.227CC..EExtended strand (participates in β ladder)trans-157.6161.5-179.258.2-90000112.4L51 K54 I55 I110 E111 A112 T113L51-F82 HydrophobicContact CD1-CE2 3.41Å; L51-F82 VanDerWaalsContact CD1-CE2 3.41Å; L51-F82 HydrophobicContact CD1-CZ 3.69Å; K54-F82 HydrophobicContact CD-CB 4.38Å; K54-F82 HydrophobicContact CD-CD2 4.06Å; K54-F82 HydrophobicContact CD-CG 4.35Å; I55-F82 HydrophobicContact CG2-CE1 3.61Å; I55-F82 HydrophobicContact CG2-CZ 3.48Å; I55-F82 VanDerWaalsContact CG2-CZ 3.48Å; F82-I110 HydrophobicContact CE1-CG2 3.94Å; F82-I110 HydrophobicContact CZ-CG2 4.14Å; F82-E111 PolarHBondContact N-O 2.91Å; F82-A112 HydrophobicContact CD2-CB 4.24Å; F82-A112 HydrophobicContact CE1-CB 4.25Å; F82-A112 HydrophobicContact CE2-CB 3.59Å; F82-A112 HydrophobicContact CZ-CB 3.6Å; F82-A112 CarbonylContact O-C 3.53Å; F82-A112 VanDerWaalsContact O-CA 3.31Å; F82-A112 WeakPolarHBondContact O-CA 3.22Å; F82-T113 PolarHBondContact O-N 2.88Å
83S97.8Very high96.5Very high65 Ų6538.7 Ų38.746%0.45523%0.227SC..EExtended strand (participates in β ladder)trans-112.7144.6168.3-176.90000110.4K54 T113K54-S83 PolarHBondContact NZ-O 3.37Å; S83-T113 CarbonylContact C-O 3.44Å; S83-T113 VanDerWaalsContact CA-O 3.31Å; S83-T113 WeakPolarHBondContact CA-O 3.23Å; S83-T113 PolarHBondContact OG-O 3.12Å
84L97.6Very high96.5Very high13 Ų1337.1 Ų37.17%0.06822%0.215CC..EExtended strand (participates in β ladder)trans-138.4126176.9-177.668.4000110.7L51 C86 T113 L114 V115L51-L84 HydrophobicContact CB-CD2 3.64Å; L51-L84 HydrophobicContact CD1-CD2 3.81Å; L51-L84 HydrophobicContact CD2-CD2 4.3Å; L51-L84 HydrophobicContact CG-CD2 4.12Å; L84-C86 PolarHBondContact O-N 3.42Å; L84-T113 PolarHBondContact N-O 2.77Å; L84-L114 HydrophobicContact CB-CD2 3.97Å; L84-L114 HydrophobicContact CD2-CD2 4.36Å; L84-V115 PolarHBondContact O-N 3.09Å
85E97.6Very high96.6Very high158 Ų15835.7 Ų35.774%0.73821%0.206SC*.EExtended strand (participates in β ladder)trans-81.6109165-65.9-174172.100109.2C47 V115C47-E85 PolarHBondContact SG-O 2.98Å; E85-V115 HydrophobicContact CG-CB 4.48Å
86C97.2Very high96.8Very high11 Ų1135 Ų357%0.07420%0.198CC..  trans-74.9148.6176.9-64.80000110.9L84 Y95 V115L84-C86 PolarHBondContact O-N 3.42Å; C86-Y95 HydrophobicContact CB-CD2 3.97Å; C86-Y95 HydrophobicContact CB-CE2 3.49Å; C86-Y95 VanDerWaalsContact CB-CE2 3.49Å; C86-Y95 VanDerWaalsContact SG-CD2 3.58Å; C86-V115 WeakPolarHBondContact CB-O 3.23Å; C86-V115 PolarHBondContact N-O 3.47Å
87S95.7Very high96.9Very high20 Ų2031.9 Ų31.914%0.1418%0.179CC..  trans-61.7141167.7-179.80000110D89 R90 Y95S87-D89 PolarHBondContact O-N 3.21Å; S87-D89 WeakPolarHBondContact OG-CB 3.38Å; S87-D89 PolarHBondContact OG-N 2.99Å; S87-D89 VanDerWaalsContact OG-N 3.12Å; S87-D89 PolarHBondContact OG-OD2 2.93Å; S87-R90 VanDerWaalsContact O-O 3.08Å; S87-Y95 PolarHBondContact N-OH 3.36Å; S87-Y95 VanDerWaalsContact N-OH 3.14Å
88N95.4Very high97Very high56 Ų5631.7 Ų31.730%0.29918%0.178SC..THydrogen-bonded Turntrans-71.3-11.7172.2-75.10.4000112.9R90 V117 Y159 P160 G161N88-R90 PolarHBondContact O-N 2.97Å; N88-V117 HydrophobicContact CB-CG2 3.78Å; N88-Y159 WeakPolarHBondContact O-CD2 3.39Å; N88-Y159 VanDerWaalsContact O-CE2 3.32Å; N88-Y159 WeakPolarHBondContact O-CE2 3.29Å; N88-P160 PolarHBondContact ND2-O 3.22Å; N88-P160 VanDerWaalsContact ND2-O 3.09Å; N88-G161 PolarHBondContact ND2-O 3.11Å
89D94.6Very high97.1Very high63 Ų6329 Ų2934%0.33716%0.164SC..THydrogen-bonded Turntrans-68-17.2-179.8-56.9-32.2000113.3N43 A44 S87 Y122N43-D89 WeakPolarHBondContact CB-OD2 3.37Å; N43-D89 PolarHBondContact ND2-OD2 3.15Å; A44-D89 HydrophobicContact CB-CB 4.35Å; S87-D89 PolarHBondContact O-N 3.21Å; S87-D89 WeakPolarHBondContact OG-CB 3.38Å; S87-D89 PolarHBondContact OG-N 2.99Å; S87-D89 VanDerWaalsContact OG-N 3.12Å; S87-D89 PolarHBondContact OG-OD2 2.93Å; D89-Y122 PolarHBondContact O-OH 3.11Å
90R96.6Very high97.3Very high66 Ų6628.5 Ų28.525%0.24916%0.16CC..SBendtrans-137.4153.8175.8-63.4-61.2-67.7-159.9-9.7110A44 S87 N88 Y94 D123A44-R90 HydrophobicContact CB-CB 3.87Å; A44-R90 HydrophobicContact CB-CG 3.35Å; S87-R90 VanDerWaalsContact O-O 3.08Å; N88-R90 PolarHBondContact O-N 2.97Å; R90-Y94 HydrophobicContact CB-CD2 3.94Å; R90-Y94 HydrophobicContact CB-CG 3.91Å; R90-Y94 HydrophobicContact CG-CD2 3.77Å; R90-Y94 HydrophobicContact CG-CE2 4.1Å; R90-Y94 HydrophobicContact CG-CG 4.22Å; R90-D123 WeakPolarHBondContact CA-OD2 3.46Å; R90-D123 WeakPolarHBondContact CB-OD2 3.42Å; R90-D123 IonicContact CZ-OD1 2.79Å; R90-D123 IonicContact CZ-OD2 2.72Å; R90-D123 VanDerWaalsContact NE-CG 3.34Å; R90-D123 IonicContact NE-OD1 3.64Å; R90-D123 PolarHBondContact NE-OD1 3.16Å; R90-D123 VanDerWaalsContact NE-OD1 3.14Å; R90-D123 IonicContact NE-OD2 2.99Å; R90-D123 PolarHBondContact NE-OD2 2.95Å; R90-D123 IonicContact NH2-OD1 3.15Å; R90-D123 PolarHBondContact NH2-OD1 2.81Å; R90-D123 IonicContact NH2-OD2 3.14Å
91G96.6Very high97.3Very high1 Ų127.6 Ų27.61%0.0115%0.15CC..BIsolated β-bridgetrans-69.7156.6175.700000112.2G93 Y94 V117 D123G91-G93 PolarHBondContact O-N 3.49Å; G91-G93 VanDerWaalsContact O-N 3.11Å; G91-Y94 WeakPolarHBondContact O-CB 3.48Å; G91-Y94 PolarHBondContact O-N 3.02Å; G91-V117 CarbonylContact C-O 3.58Å; G91-V117 WeakPolarHBondContact CA-O 3.41Å; G91-D123 PolarHBondContact N-OD2 2.98Å
92I98Very high97.3Very high0 Ų023.5 Ų23.50%012%0.121CC..Hα-helixtrans-55.1-30.3172.5-71.3168.4000110.9Y94 Y95 L96 L114 V117 V126 V166I92-Y94 PolarHBondContact O-N 3.27Å; I92-Y95 PolarHBondContact O-N 3.05Å; I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 3.95Å; I92-L96 PolarHBondContact O-N 2.88Å; I92-L114 HydrophobicContact CG2-CB 3.98Å; I92-L114 HydrophobicContact CG2-CD1 3.84Å; I92-V117 WeakPolarHBondContact CG1-O 3.16Å; I92-V117 PolarHBondContact N-O 3.35Å; I92-V126 HydrophobicContact CB-CG2 4.29Å; I92-V126 HydrophobicContact CG2-CG2 4.25Å; I92-V166 HydrophobicContact CD1-CB 4.41Å; I92-V166 HydrophobicContact CD1-CG2 3.79Å; I92-V166 HydrophobicContact CG2-CB 4.11Å; I92-V166 HydrophobicContact CG2-CG2 4.02Å
93G97.3Very high97.2Very high0 Ų022.1 Ų22.10%012%0.115CC..Hα-helixtrans-54.8-32.8173.300000114.4G91 Y95 L96 E97 P124 I129G91-G93 PolarHBondContact O-N 3.49Å; G91-G93 VanDerWaalsContact O-N 3.11Å; G93-Y95 VanDerWaalsContact C-N 3.33Å; G93-Y95 PolarHBondContact O-N 3.29Å; G93-L96 PolarHBondContact O-N 2.77Å; G93-E97 PolarHBondContact O-N 3.27Å; G93-P124 WeakPolarHBondContact CA-O 3.34Å; G93-I129 VanDerWaalsContact CA-CD1 3.45Å
94Y97.6Very high97.1Very high8 Ų819 Ų193%0.0319%0.094CC..Hα-helixtrans-54.3-49.1170.7-179-81.9000111R14 L48 R90 G91 I92R14-Y94 WeakPolarHBondContact CD-O 3.17Å; R14-Y94 HydrophobicContact CG-CD1 4.04Å; R14-Y94 HydrophobicContact CG-CD2 4.11Å; R14-Y94 HydrophobicContact CG-CE1 3.58Å; R14-Y94 HydrophobicContact CG-CE2 3.68Å; R14-Y94 HydrophobicContact CG-CG 4.24Å; L48-Y94 HydrophobicContact CB-CE1 3.93Å; L48-Y94 HydrophobicContact CD1-CD1 4.27Å; L48-Y94 HydrophobicContact CD1-CE1 3.86Å; L48-Y94 HydrophobicContact CD2-CE1 3.94Å; L48-Y94 HydrophobicContact CG-CE1 4.1Å; R90-Y94 HydrophobicContact CB-CD2 3.94Å; R90-Y94 HydrophobicContact CB-CG 3.91Å; R90-Y94 HydrophobicContact CG-CD2 3.77Å; R90-Y94 HydrophobicContact CG-CE2 4.1Å; R90-Y94 HydrophobicContact CG-CG 4.22Å; G91-Y94 WeakPolarHBondContact O-CB 3.48Å; G91-Y94 PolarHBondContact O-N 3.02Å; I92-Y94 PolarHBondContact O-N 3.27Å
95Y98.3Very high97Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-77.7-33.3-177.4-53.6-90.1000111.8A44 C47 L48 L51 C86 S87 I92 G93 F98 L99A44-Y95 WeakPolarHBondContact CA-OH 3.34Å; C47-Y95 HydrophobicContact CB-CE1 3.88Å; L48-Y95 HydrophobicContact CB-CE1 4.36Å; L48-Y95 HydrophobicContact CD1-CD1 3.95Å; L51-Y95 HydrophobicContact CD2-CD1 4.1Å; C86-Y95 HydrophobicContact CB-CD2 3.97Å; C86-Y95 HydrophobicContact CB-CE2 3.49Å; C86-Y95 VanDerWaalsContact CB-CE2 3.49Å; C86-Y95 VanDerWaalsContact SG-CD2 3.58Å; S87-Y95 PolarHBondContact N-OH 3.36Å; S87-Y95 VanDerWaalsContact N-OH 3.14Å; I92-Y95 PolarHBondContact O-N 3.05Å; G93-Y95 VanDerWaalsContact C-N 3.33Å; G93-Y95 PolarHBondContact O-N 3.29Å; Y95-F98 WeakPolarHBondContact O-CB 3.33Å; Y95-F98 PolarHBondContact O-N 2.95Å; Y95-L99 WeakPolarHBondContact O-CG 3.33Å; Y95-L99 PolarHBondContact O-N 3.49Å
96L98.3Very high97Very high0 Ų011.2 Ų11.20%06%0.057CC..Hα-helixtrans-63.8-39.7174.8-70.8173.3000112.3I92 G93 F98 L99 L100 L114 V126 I129 I151 V166 F168I92-L96 HydrophobicContact CG2-CD1 3.89Å; I92-L96 HydrophobicContact CG2-CG 3.95Å; I92-L96 PolarHBondContact O-N 2.88Å; G93-L96 PolarHBondContact O-N 2.77Å; L96-F98 VanDerWaalsContact C-N 3.31Å; L96-F98 PolarHBondContact O-N 3.4Å; L96-L99 HydrophobicContact CD2-CD1 4.47Å; L96-L99 PolarHBondContact O-N 3.02Å; L96-L100 WeakPolarHBondContact O-CB 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.04Å; L96-L114 HydrophobicContact CD2-CD1 3.96Å; L96-L114 HydrophobicContact CG-CD1 4.24Å; L96-V126 HydrophobicContact CD1-CB 4.39Å; L96-V126 HydrophobicContact CD1-CG1 3.94Å; L96-V126 HydrophobicContact CD1-CG2 4.03Å; L96-I129 HydrophobicContact CB-CD1 3.8Å; L96-I129 HydrophobicContact CD1-CD1 4.12Å; L96-I151 HydrophobicContact CD1-CD1 4.45Å; L96-I151 HydrophobicContact CD1-CG2 4.1Å; L96-I151 HydrophobicContact CD2-CD1 4.25Å; L96-I151 HydrophobicContact CD2-CG2 4.46Å; L96-V166 HydrophobicContact CD1-CG1 4.45Å; L96-F168 HydrophobicContact CD2-CB 3.96Å; L96-F168 HydrophobicContact CD2-CD2 3.72Å; L96-F168 HydrophobicContact CD2-CG 4.13Å
97E97.9Very high96.9Very high2 Ų216.2 Ų16.21%0.0098%0.077CC..Hα-helixtrans-56.2-48.4173.7-175.8-178.2163.400110.9R14 G93 L100 M101 W133 Y324R14-E97 IonicContact CZ-OE2 3.58Å; R14-E97 IonicContact NE-OE1 3.5Å; R14-E97 IonicContact NE-OE2 2.6Å; R14-E97 PolarHBondContact NE-OE2 3.36Å; R14-E97 IonicContact NH2-OE2 2.74Å; R14-E97 PolarHBondContact NH2-OE2 2.96Å; G93-E97 PolarHBondContact O-N 3.27Å; E97-L100 PolarHBondContact O-N 3.43Å; E97-M101 HydrophobicContact CG-CE 3.91Å; E97-M101 WeakPolarHBondContact O-CG 3.5Å; E97-M101 PolarHBondContact O-N 2.81Å; E97-M101 VanDerWaalsContact O-N 3.12Å; E97-W133 HydrophobicContact CB-CH2 4.08Å; E97-W133 HydrophobicContact CB-CZ3 3.61Å; E97-W133 HydrophobicContact CG-CH2 3.92Å; E97-W133 HydrophobicContact CG-CZ3 3.58Å; E97-Y324 WeakPolarHBondContact OE1-CE1 3.46Å; E97-Y324 PolarHBondContact OE1-OH 2.84Å; E97-Y324 PolarHBondContact OE2-OH 3.44Å
98F98.4Very high96.8Very high0 Ų017.9 Ų17.90%09%0.087CC..Hα-helixtrans-60-46.9176.3170.7-97.1000112R14 I17 A18 L21 L48 L51 A52 I55 Y95 L96 L100 M101 V102R14-F98 HydrophobicContact CB-CB 4.49Å; I17-F98 HydrophobicContact CB-CE2 4.11Å; I17-F98 HydrophobicContact CG2-CE2 3.74Å; I17-F98 HydrophobicContact CG2-CZ 4.27Å; A18-F98 HydrophobicContact CB-CD2 3.9Å; A18-F98 HydrophobicContact CB-CE2 4.06Å; L21-F98 HydrophobicContact CD1-CE2 4.02Å; L21-F98 HydrophobicContact CD1-CZ 3.68Å; L48-F98 HydrophobicContact CD1-CB 3.7Å; L48-F98 HydrophobicContact CD1-CD1 3.96Å; L48-F98 HydrophobicContact CD1-CD2 4.22Å; L48-F98 HydrophobicContact CD1-CG 3.69Å; L48-F98 HydrophobicContact CG-CG 4.5Å; L51-F98 HydrophobicContact CD2-CD1 3.81Å; L51-F98 HydrophobicContact CD2-CE1 4.23Å; L51-F98 HydrophobicContact CG-CD1 4.18Å; L51-F98 HydrophobicContact CG-CE1 4.08Å; A52-F98 HydrophobicContact CB-CE1 4.42Å; A52-F98 HydrophobicContact CB-CZ 3.82Å; I55-F98 HydrophobicContact CD1-CE1 3.6Å; I55-F98 HydrophobicContact CD1-CZ 3.86Å; Y95-F98 WeakPolarHBondContact O-CB 3.33Å; Y95-F98 PolarHBondContact O-N 2.95Å; L96-F98 VanDerWaalsContact C-N 3.31Å; L96-F98 PolarHBondContact O-N 3.4Å; F98-L100 PolarHBondContact O-N 3.3Å; F98-M101 WeakPolarHBondContact O-CB 3.27Å; F98-M101 PolarHBondContact O-N 2.68Å; F98-M101 VanDerWaalsContact O-N 3.14Å; F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG1 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.08Å; F98-V102 HydrophobicContact CE2-CG1 3.94Å; F98-V102 HydrophobicContact CZ-CG1 4.06Å; F98-V102 HydrophobicContact CZ-CG2 4.3Å; F98-V102 WeakPolarHBondContact O-CG2 3.35Å; F98-V102 PolarHBondContact O-N 3.29Å; F98-V102 VanDerWaalsContact O-N 3.16Å
99L98.2Very high96.9Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-60.3-43.3178.2-74.2172.9000112.1L51 I55 Y95 L96 M101 V102 A103 I110 A112 L114 F168L51-L99 HydrophobicContact CD1-CD2 4.24Å; L51-L99 HydrophobicContact CD2-CD1 4.46Å; L51-L99 HydrophobicContact CD2-CD2 4.27Å; L51-L99 HydrophobicContact CD2-CG 4.13Å; L51-L99 HydrophobicContact CG-CD2 4.47Å; I55-L99 HydrophobicContact CG2-CD2 4.31Å; Y95-L99 WeakPolarHBondContact O-CG 3.33Å; Y95-L99 PolarHBondContact O-N 3.49Å; L96-L99 HydrophobicContact CD2-CD1 4.47Å; L96-L99 PolarHBondContact O-N 3.02Å; L99-M101 VanDerWaalsContact C-N 3.27Å; L99-M101 PolarHBondContact O-N 2.9Å; L99-V102 PolarHBondContact O-N 2.77Å; L99-A103 WeakPolarHBondContact O-CB 3.39Å; L99-A103 PolarHBondContact O-N 3.47Å; L99-I110 HydrophobicContact CD2-CD1 4.26Å; L99-A112 HydrophobicContact CD1-CB 4.44Å; L99-L114 HydrophobicContact CD1-CD1 3.94Å; L99-F168 HydrophobicContact CB-CD1 4.42Å; L99-F168 HydrophobicContact CB-CE1 3.98Å; L99-F168 HydrophobicContact CB-CE2 4.26Å; L99-F168 HydrophobicContact CB-CZ 3.91Å; L99-F168 HydrophobicContact CD1-CB 4.48Å; L99-F168 HydrophobicContact CD1-CD1 3.89Å; L99-F168 HydrophobicContact CD1-CE1 4.26Å; L99-F168 HydrophobicContact CD1-CG 4.08Å
100L97.9Very high97Very high0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-62.9-33.3176.7-70.7172.1000112.1L96 E97 F98 P104 I129 W133 L134 Y137 T149 F168 L300L96-L100 WeakPolarHBondContact O-CB 3.22Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 3.04Å; E97-L100 PolarHBondContact O-N 3.43Å; F98-L100 PolarHBondContact O-N 3.3Å; L100-P104 WeakPolarHBondContact O-CD 3.47Å; L100-I129 HydrophobicContact CD1-CG2 3.57Å; L100-W133 HydrophobicContact CD1-CE3 4.15Å; L100-L134 HydrophobicContact CD1-CD2 4.41Å; L100-L134 HydrophobicContact CD2-CD2 3.81Å; L100-Y137 HydrophobicContact CB-CD2 4.4Å; L100-Y137 HydrophobicContact CB-CE2 4.26Å; L100-Y137 HydrophobicContact CD2-CD1 3.93Å; L100-Y137 HydrophobicContact CD2-CD2 4.22Å; L100-Y137 HydrophobicContact CD2-CE1 3.77Å; L100-Y137 HydrophobicContact CD2-CE2 4.12Å; L100-Y137 HydrophobicContact CD2-CG 4.14Å; L100-Y137 WeakPolarHBondContact O-CE2 3.15Å; L100-T149 HydrophobicContact CD2-CG2 4.33Å; L100-F168 HydrophobicContact CD2-CE2 3.93Å; L100-F168 HydrophobicContact CD2-CZ 4.5Å; L100-F168 HydrophobicContact CG-CE2 4.39Å; L100-L300 HydrophobicContact CB-CD1 4.01Å; L100-L300 HydrophobicContact CB-CD2 4.21Å; L100-L300 HydrophobicContact CD1-CD2 4.05Å
101M97.7Very high97.1Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-68.6-40.7175.4-71.1-175.6-80.700112.7R14 V15 A18 I22 E97 F98 L99 L300 V303R14-M101 HydrophobicContact CB-CE 4.16Å; V15-M101 HydrophobicContact CB-SD 4.48Å; V15-M101 HydrophobicContact CG2-CE 4.07Å; V15-M101 HydrophobicContact CG2-SD 4.06Å; A18-M101 HydrophobicContact CB-CB 3.81Å; A18-M101 HydrophobicContact CB-CE 3.89Å; A18-M101 HydrophobicContact CB-CG 4.48Å; A18-M101 HydrophobicContact CB-SD 3.89Å; I22-M101 HydrophobicContact CD1-CB 4.48Å; I22-M101 WeakPolarHBondContact CD1-O 3.49Å; E97-M101 HydrophobicContact CG-CE 3.91Å; E97-M101 WeakPolarHBondContact O-CG 3.5Å; E97-M101 PolarHBondContact O-N 2.81Å; E97-M101 VanDerWaalsContact O-N 3.12Å; F98-M101 WeakPolarHBondContact O-CB 3.27Å; F98-M101 PolarHBondContact O-N 2.68Å; F98-M101 VanDerWaalsContact O-N 3.14Å; L99-M101 VanDerWaalsContact C-N 3.27Å; L99-M101 PolarHBondContact O-N 2.9Å; M101-L300 HydrophobicContact CG-CD1 3.74Å; M101-V303 HydrophobicContact CB-CG1 4.49Å; M101-V303 HydrophobicContact CG-CG1 4.15Å; M101-V303 HydrophobicContact SD-CB 4.46Å; M101-V303 HydrophobicContact SD-CG1 4.25Å; M101-V303 HydrophobicContact SD-CG2 4.07Å
102V96.9Very high97.2Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-97.5-27.6-170.2-57.90000114.5A18 L21 I22 I55 L77 F98 L99 P104 F105A18-V102 HydrophobicContact CB-CG1 3.82Å; L21-V102 HydrophobicContact CD1-CG1 4.47Å; I22-V102 HydrophobicContact CD1-CG1 4.37Å; I22-V102 HydrophobicContact CG1-CG1 4.37Å; I55-V102 HydrophobicContact CD1-CB 4.27Å; I55-V102 HydrophobicContact CD1-CG2 3.43Å; I55-V102 VanDerWaalsContact CD1-CG2 3.43Å; L77-V102 HydrophobicContact CD1-CB 4.44Å; F98-V102 HydrophobicContact CD1-CG2 4.39Å; F98-V102 HydrophobicContact CD2-CG1 4.4Å; F98-V102 HydrophobicContact CE1-CG2 4.08Å; F98-V102 HydrophobicContact CE2-CG1 3.94Å; F98-V102 HydrophobicContact CZ-CG1 4.06Å; F98-V102 HydrophobicContact CZ-CG2 4.3Å; F98-V102 WeakPolarHBondContact O-CG2 3.35Å; F98-V102 PolarHBondContact O-N 3.29Å; F98-V102 VanDerWaalsContact O-N 3.16Å; L99-V102 PolarHBondContact O-N 2.77Å; V102-P104 VanDerWaalsContact C-N 3.32Å; V102-F105 PolarHBondContact O-N 2.99Å
103A96.6Very high97.2Very high1 Ų118.9 Ų18.91%0.00810%0.098CC..G310 helixtrans-52.6-37.6-177.200000114.8L99 F105 C106 I110 F168L99-A103 WeakPolarHBondContact O-CB 3.39Å; L99-A103 PolarHBondContact O-N 3.47Å; A103-F105 PolarHBondContact O-N 3.43Å; A103-F105 VanDerWaalsContact O-N 3.13Å; A103-C106 PolarHBondContact O-N 2.89Å; A103-I110 HydrophobicContact CB-CD1 3.86Å; A103-F168 HydrophobicContact CB-CE1 4.41Å; A103-F168 HydrophobicContact CB-CZ 4.1Å
104P95.6Very high97.2Very high0 Ų018.9 Ų18.90%010%0.098CC..G310 helixtrans-58.1-27.8177.6-26.536.6000113.8L100 V102 Y137 I141 C173 V176 N385L100-P104 WeakPolarHBondContact O-CD 3.47Å; V102-P104 VanDerWaalsContact C-N 3.32Å; P104-Y137 HydrophobicContact CG-CE2 3.94Å; P104-Y137 WeakPolarHBondContact CG-OH 3.39Å; P104-I141 HydrophobicContact CB-CG2 4.17Å; P104-I141 HydrophobicContact CG-CG2 3.69Å; P104-C173 PolarHBondContact O-N 3.45Å; P104-C173 VanDerWaalsContact O-N 3.09Å; P104-V176 HydrophobicContact CB-CG2 4.35Å; P104-N385 PolarHBondContact O-ND2 3.19Å
105F95.6Very high97.2Very high7 Ų720.6 Ų20.63%0.03111%0.109CC..G310 helixtrans-101.35.2-171.6-52.5-77.4000114I22 L77 V102 A103 V176 C307 V383 N385 N387I22-F105 HydrophobicContact CD1-CD2 4.13Å; I22-F105 HydrophobicContact CD1-CE2 3.98Å; I22-F105 HydrophobicContact CG1-CD2 3.77Å; I22-F105 HydrophobicContact CG1-CE2 4.04Å; I22-F105 HydrophobicContact CG2-CD2 4.11Å; I22-F105 HydrophobicContact CG2-CE1 4.42Å; I22-F105 HydrophobicContact CG2-CE2 3.93Å; I22-F105 HydrophobicContact CG2-CG 4.43Å; I22-F105 HydrophobicContact CG2-CZ 4.11Å; L77-F105 HydrophobicContact CD1-CB 3.84Å; V102-F105 PolarHBondContact O-N 2.99Å; A103-F105 PolarHBondContact O-N 3.43Å; A103-F105 VanDerWaalsContact O-N 3.13Å; F105-V176 HydrophobicContact CE1-CG2 4.23Å; F105-V176 HydrophobicContact CZ-CG2 3.71Å; F105-C307 HydrophobicContact CE1-CB 4.43Å; F105-C307 HydrophobicContact CE2-CB 4.37Å; F105-C307 HydrophobicContact CZ-CB 3.6Å; F105-V383 HydrophobicContact CD1-CG1 4.02Å; F105-V383 HydrophobicContact CE1-CB 4.22Å; F105-V383 HydrophobicContact CE1-CG1 3.63Å; F105-V383 HydrophobicContact CZ-CG1 4.36Å; F105-N385 PolarHBondContact O-OD1 3.49Å; F105-N387 PolarHBondContact O-ND2 3.19Å
106C95.7Very high97.2Very high0 Ų020.8 Ų20.80%011%0.111CC..  trans-73.1159.7175.4-720000112.1L77 A103 P172 N385L77-C106 WeakPolarHBondContact O-CA 3.27Å; A103-C106 PolarHBondContact O-N 2.89Å; C106-P172 HydrophobicContact CB-CB 4.48Å; C106-P172 WeakPolarHBondContact O-CB 3.16Å; C106-P172 WeakPolarHBondContact O-CG 3.17Å; C106-N385 PolarHBondContact O-ND2 3.27Å
107K95.2Very high97.1Very high117 Ų11720.8 Ų20.851%0.50911%0.111SC..SBendtrans-76.2-46.4173.9-178.2165.7-178.7-178.90112.4L77 I78 N387L77-K107 PolarHBondContact O-N 3.22Å; I78-K107 PolarHBondContact O-N 3.07Å; I78-K107 VanDerWaalsContact O-N 3.08Å; K107-N387 HydrophobicContact CB-CB 4Å; K107-N387 VanDerWaalsContact CG-O 3.26Å; K107-N387 WeakPolarHBondContact CG-O 3.22Å
108T95.1Very high97Very high55 Ų5520.7 Ų20.734%0.33711%0.111SC..SBendtrans-117159.6-177.757.20000110.3I78 G80I78-T108 PolarHBondContact O-N 3.37Å; I78-T108 PolarHBondContact O-OG1 3.46Å; G80-T108 PolarHBondContact N-OG1 2.85Å
109P96.1Very high96.9Very high56 Ų5620.9 Ų20.936%0.36411%0.112SC..  trans-54.1148.6173.1-24.635.4000112.3G80 S170 R171G80-P109 WeakPolarHBondContact CA-O 3.49Å; G80-P109 PolarHBondContact N-O 3.43Å; P109-S170 WeakPolarHBondContact CA-O 3.33Å; P109-R171 HydrophobicContact CB-CG 4.23Å; P109-R171 HydrophobicContact CG-CG 4.08Å
110I97.6Very high96.7Very high1 Ų121.1 Ų21.11%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-95.9133.1170.6-61.8176.5000108.1G80 F82 L99 A103 A112 F168 S169 S170G80-I110 WeakPolarHBondContact O-CA 3.43Å; F82-I110 HydrophobicContact CE1-CG2 3.94Å; F82-I110 HydrophobicContact CZ-CG2 4.14Å; L99-I110 HydrophobicContact CD2-CD1 4.26Å; A103-I110 HydrophobicContact CB-CD1 3.86Å; I110-A112 HydrophobicContact CG2-CB 3.96Å; I110-F168 HydrophobicContact CB-CD1 4.35Å; I110-F168 HydrophobicContact CB-CE1 4Å; I110-F168 HydrophobicContact CD1-CE1 4.35Å; I110-F168 HydrophobicContact CG2-CD1 3.76Å; I110-F168 HydrophobicContact CG2-CE1 3.81Å; I110-S169 VanDerWaalsContact O-CA 3.27Å; I110-S169 WeakPolarHBondContact O-CA 3.39Å; I110-S170 PolarHBondContact N-O 2.79Å; I110-S170 PolarHBondContact O-N 2.89Å; I110-S170 VanDerWaalsContact O-N 3.1Å
111E97.9Very high96.3Very high110 Ų11024.2 Ų24.251%0.51413%0.133SC..EExtended strand (participates in β ladder)trans-129.592.2167.6-64.6178.6164.700108.3G80 S81 F82 F168G80-E111 PolarHBondContact O-N 3.49Å; S81-E111 CarbonylContact C-O 3.53Å; S81-E111 WeakPolarHBondContact CA-O 3.49Å; S81-E111 PolarHBondContact OG-OE2 3.01Å; F82-E111 PolarHBondContact N-O 2.91Å; E111-F168 CarbonylContact C-O 3.58Å; E111-F168 WeakPolarHBondContact CA-O 3.46Å
112A98.2Very high96Very high2 Ų229.7 Ų29.72%0.01715%0.154CC..EExtended strand (participates in β ladder)trans-107.5128.3-17400000111.1F82 L99 I110 L114 F168F82-A112 HydrophobicContact CD2-CB 4.24Å; F82-A112 HydrophobicContact CE1-CB 4.25Å; F82-A112 HydrophobicContact CE2-CB 3.59Å; F82-A112 HydrophobicContact CZ-CB 3.6Å; F82-A112 CarbonylContact O-C 3.53Å; F82-A112 VanDerWaalsContact O-CA 3.31Å; F82-A112 WeakPolarHBondContact O-CA 3.22Å; L99-A112 HydrophobicContact CD1-CB 4.44Å; I110-A112 HydrophobicContact CG2-CB 3.96Å; A112-L114 HydrophobicContact CB-CD2 4.39Å; A112-F168 HydrophobicContact CB-CB 4.33Å; A112-F168 HydrophobicContact CB-CD1 4.36Å; A112-F168 PolarHBondContact N-O 3.43Å; A112-F168 PolarHBondContact O-N 3.5Å
113T98.5Very high95.9Very high38 Ų3830 Ų3023%0.23316%0.156CC..EExtended strand (participates in β ladder)trans-97113.4164.4-56.50000108.6F82 S83 L84 V115 E165 L167F82-T113 PolarHBondContact O-N 2.88Å; S83-T113 CarbonylContact C-O 3.44Å; S83-T113 VanDerWaalsContact CA-O 3.31Å; S83-T113 WeakPolarHBondContact CA-O 3.23Å; S83-T113 PolarHBondContact OG-O 3.12Å; L84-T113 PolarHBondContact N-O 2.77Å; T113-V115 HydrophobicContact CG2-CG2 4.32Å; T113-E165 HydrophobicContact CG2-CG 3.91Å; T113-L167 HydrophobicContact CG2-CD2 3.89Å; T113-L167 WeakPolarHBondContact OG1-CD2 3.49Å
114L98.4Very high95.8Very high0 Ų031 Ų310%016%0.162CC..EExtended strand (participates in β ladder)trans-104121.6178.2-57.7-178.1000109.5L84 I92 L96 L99 A112 E165 V166L84-L114 HydrophobicContact CB-CD2 3.97Å; L84-L114 HydrophobicContact CD2-CD2 4.36Å; I92-L114 HydrophobicContact CG2-CB 3.98Å; I92-L114 HydrophobicContact CG2-CD1 3.84Å; L96-L114 HydrophobicContact CD2-CD1 3.96Å; L96-L114 HydrophobicContact CG-CD1 4.24Å; L99-L114 HydrophobicContact CD1-CD1 3.94Å; A112-L114 HydrophobicContact CB-CD2 4.39Å; L114-E165 WeakPolarHBondContact O-CA 3.24Å; L114-V166 PolarHBondContact N-O 3Å; L114-V166 PolarHBondContact O-N 2.75Å
115V98.1Very high95.9Very high44 Ų4431 Ų3127%0.26716%0.163SC..EExtended strand (participates in β ladder)trans-111.3130.2178.8-1780000109L84 E85 C86 T113 G164 E165L84-V115 PolarHBondContact O-N 3.09Å; E85-V115 HydrophobicContact CG-CB 4.48Å; C86-V115 WeakPolarHBondContact CB-O 3.23Å; C86-V115 PolarHBondContact N-O 3.47Å; T113-V115 HydrophobicContact CG2-CG2 4.32Å; V115-G164 CarbonylContact C-O 3.57Å; V115-G164 VanDerWaalsContact CA-O 3.26Å; V115-G164 WeakPolarHBondContact CA-O 3.23Å; V115-E165 HydrophobicContact CG2-CG 4.29Å
116G97.1Very high96Very high3 Ų330.7 Ų30.73%0.03116%0.162CC..EExtended strand (participates in β ladder)trans164.7-141.8-176.700000112.8G162 G163 G164G116-G162 CarbonylContact O-C 3.54Å; G116-G163 PolarHBondContact O-N 3.28Å; G116-G163 VanDerWaalsContact O-N 3.12Å; G116-G164 PolarHBondContact N-O 3.46Å; G116-G164 WeakPolarHBondContact O-CA 3.26Å; G116-G164 PolarHBondContact O-N 2.89Å
117V97.1Very high96.1Very high0 Ų031.1 Ų31.10%016%0.164CC..BIsolated β-bridgetrans-95.5119.2178.1-179.60000110N88 G91 I92 N119 V120 G157 Y159N88-V117 HydrophobicContact CB-CG2 3.78Å; G91-V117 CarbonylContact C-O 3.58Å; G91-V117 WeakPolarHBondContact CA-O 3.41Å; I92-V117 WeakPolarHBondContact CG1-O 3.16Å; I92-V117 PolarHBondContact N-O 3.35Å; V117-N119 WeakPolarHBondContact CG1-O 3.38Å; V117-V120 HydrophobicContact CB-CG1 4.21Å; V117-V120 HydrophobicContact CG1-CG1 3.48Å; V117-V120 VanDerWaalsContact CG1-CG1 3.48Å; V117-G157 CarbonylContact C-O 3.56Å; V117-G157 WeakPolarHBondContact CA-O 3.36Å; V117-G157 WeakPolarHBondContact CG1-O 3.3Å; V117-Y159 VanDerWaalsContact CG1-N 3.34Å; V117-Y159 HydrophobicContact CG2-CD2 4.4Å
118S95.9Very high96.2Very high1 Ų126.6 Ų26.61%0.00715%0.145CC..SBendtrans-76.8-30.9176.9630000113.4G157S118-G157 PolarHBondContact N-O 3.4Å; S118-G157 PolarHBondContact OG-N 3.42Å; S118-G157 PolarHBondContact OG-O 3.34Å
119N95.7Very high96.3Very high4 Ų424 Ų242%0.02113%0.128CC..BIsolated β-bridgetrans-134.9119.8-175-63.285.1000110.4V117 S125 Y159 W195 M259V117-N119 WeakPolarHBondContact CG1-O 3.38Å; N119-S125 WeakPolarHBondContact ND2-CB 3.43Å; N119-Y159 PolarHBondContact O-N 3.09Å; N119-W195 HydrophobicContact CB-CH2 3.8Å; N119-W195 HydrophobicContact CB-CZ2 3.8Å; N119-W195 WeakPolarHBondContact ND2-CZ2 3.47Å; N119-M259 HydrophobicContact CB-SD 4.31Å
120V94.3Very high96.4Very high5 Ų522.9 Ų22.93%0.0312%0.121CC..  trans-128.4157.1170.4-65.30000108.4V117 Y122 D123 Y159 M259V117-V120 HydrophobicContact CB-CG1 4.21Å; V117-V120 HydrophobicContact CG1-CG1 3.48Å; V117-V120 VanDerWaalsContact CG1-CG1 3.48Å; V120-Y122 VanDerWaalsContact C-N 3.27Å; V120-Y122 HydrophobicContact CB-CE2 4.15Å; V120-Y122 HydrophobicContact CG2-CD2 4.12Å; V120-Y122 HydrophobicContact CG2-CE2 3.96Å; V120-Y122 PolarHBondContact O-N 2.76Å; V120-D123 HydrophobicContact CG2-CB 3.41Å; V120-D123 VanDerWaalsContact CG2-CB 3.41Å; V120-Y159 HydrophobicContact CG1-CD2 4.03Å; V120-Y159 HydrophobicContact CG1-CG 4.25Å; V120-M259 VanDerWaalsContact C-SD 3.55Å
121P89.5Confident96.3Very high65 Ų6525.4 Ų25.442%0.42213%0.132SC..THydrogen-bonded Turntrans-68-17.6-177.5-24.335.5000116.2M259 P262P121-M259 HydrophobicContact CG-CE 4.37Å; P121-M259 HydrophobicContact CG-SD 4.22Å; P121-P262 HydrophobicContact CG-CG 3.94Å
122Y91.4Very high96.2Very high114 Ų11420.3 Ų20.345%0.44711%0.109SC..THydrogen-bonded Turntrans-126.42.3-166.150-108.4000115.1D89 V120D89-Y122 PolarHBondContact O-OH 3.11Å; V120-Y122 VanDerWaalsContact C-N 3.27Å; V120-Y122 HydrophobicContact CB-CE2 4.15Å; V120-Y122 HydrophobicContact CG2-CD2 4.12Å; V120-Y122 HydrophobicContact CG2-CE2 3.96Å; V120-Y122 PolarHBondContact O-N 2.76Å
123D94.7Very high96.2Very high6 Ų620.4 Ų20.43%0.03211%0.109CC..SBendtrans-115.9151.9167.8-75.8-57.9000108.9R90 G91 V120 S125R90-D123 WeakPolarHBondContact CA-OD2 3.46Å; R90-D123 WeakPolarHBondContact CB-OD2 3.42Å; R90-D123 IonicContact CZ-OD1 2.79Å; R90-D123 IonicContact CZ-OD2 2.72Å; R90-D123 VanDerWaalsContact NE-CG 3.34Å; R90-D123 IonicContact NE-OD1 3.64Å; R90-D123 PolarHBondContact NE-OD1 3.16Å; R90-D123 VanDerWaalsContact NE-OD1 3.14Å; R90-D123 IonicContact NE-OD2 2.99Å; R90-D123 PolarHBondContact NE-OD2 2.95Å; R90-D123 IonicContact NH2-OD1 3.15Å; R90-D123 PolarHBondContact NH2-OD1 2.81Å; R90-D123 IonicContact NH2-OD2 3.14Å; G91-D123 PolarHBondContact N-OD2 2.98Å; V120-D123 HydrophobicContact CG2-CB 3.41Å; V120-D123 VanDerWaalsContact CG2-CB 3.41Å; D123-S125 PolarHBondContact O-N 3.27Å
124P94.9Very high96.1Very high22 Ų2218.6 Ų18.614%0.14310%0.098CC..  trans-58.4131.4171.426.2-35.4000110.5G93 M128 I129 W133G93-P124 WeakPolarHBondContact CA-O 3.34Å; P124-M128 HydrophobicContact CB-SD 4.09Å; P124-I129 HydrophobicContact CB-CD1 4.45Å; P124-I129 HydrophobicContact CB-CG1 4.21Å; P124-I129 HydrophobicContact CG-CD1 4.31Å; P124-W133 HydrophobicContact CB-CH2 4.21Å; P124-W133 HydrophobicContact CB-CZ2 3.76Å; P124-W133 HydrophobicContact CG-CH2 3.64Å; P124-W133 HydrophobicContact CG-CZ2 3.69Å
125S96.3Very high95.9Very high2 Ų220.8 Ų20.81%0.01411%0.112CC..  trans-66.3161.217273.90000112.4N119 D123 D127 M128 I129 T243 E257N119-S125 WeakPolarHBondContact ND2-CB 3.43Å; D123-S125 PolarHBondContact O-N 3.27Å; S125-D127 VanDerWaalsContact C-N 3.26Å; S125-D127 PolarHBondContact O-N 3.08Å; S125-M128 WeakPolarHBondContact O-CB 3.49Å; S125-M128 PolarHBondContact O-N 2.87Å; S125-M128 PolarHBondContact OG-N 2.66Å; S125-M128 VanDerWaalsContact OG-N 3.13Å; S125-I129 WeakPolarHBondContact O-CG1 3.47Å; S125-I129 PolarHBondContact O-N 3.03Å; S125-I129 VanDerWaalsContact O-N 3.11Å; S125-T243 PolarHBondContact OG-OG1 2.64Å; S125-E257 WeakPolarHBondContact CB-OE2 3.34Å; S125-E257 PolarHBondContact N-OE1 3.42Å; S125-E257 PolarHBondContact OG-OE2 2.83Å
126V97.8Very high95.8Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-60.4-39.1175-174.60000111.1I92 L96 M128 I129 V130 I151 I153 V166I92-V126 HydrophobicContact CB-CG2 4.29Å; I92-V126 HydrophobicContact CG2-CG2 4.25Å; L96-V126 HydrophobicContact CD1-CB 4.39Å; L96-V126 HydrophobicContact CD1-CG1 3.94Å; L96-V126 HydrophobicContact CD1-CG2 4.03Å; V126-M128 PolarHBondContact O-N 3.3Å; V126-I129 PolarHBondContact O-N 2.89Å; V126-V130 HydrophobicContact CG1-CG2 4.34Å; V126-V130 WeakPolarHBondContact O-CG2 3.45Å; V126-V130 PolarHBondContact O-N 3.02Å; V126-I151 HydrophobicContact CG1-CG2 3.49Å; V126-I151 VanDerWaalsContact CG1-CG2 3.49Å; V126-I153 HydrophobicContact CB-CD1 3.84Å; V126-I153 HydrophobicContact CB-CG1 4.09Å; V126-I153 HydrophobicContact CG1-CD1 3.84Å; V126-I153 HydrophobicContact CG1-CG1 3.62Å; V126-V166 HydrophobicContact CG1-CG1 4.05Å; V126-V166 HydrophobicContact CG1-CG2 4.27Å; V126-V166 HydrophobicContact CG2-CG2 3.93Å
127D97.8Very high95.7Very high8 Ų818.7 Ų18.74%0.04310%0.099CC..Hα-helixtrans-63.4-41.7177.3-58.8-76.4000111.4S125 I129 V130 H131 I153 R156 T243S125-D127 VanDerWaalsContact C-N 3.26Å; S125-D127 PolarHBondContact O-N 3.08Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.5Å; D127-V130 PolarHBondContact O-N 3.3Å; D127-H131 PolarHBondContact O-CD2 3.47Å; D127-H131 VanDerWaalsContact O-CD2 3.25Å; D127-H131 PolarHBondContact O-N 2.93Å; D127-I153 WeakPolarHBondContact OD1-CD1 3.21Å; D127-R156 IonicContact OD1-CZ 3.14Å; D127-R156 IonicContact OD1-NH1 3.65Å; D127-R156 IonicContact OD1-NH2 2.59Å; D127-R156 PolarHBondContact OD1-NH2 3.09Å; D127-R156 IonicContact OD2-CZ 3.93Å; D127-R156 IonicContact OD2-NH1 2.83Å; D127-R156 PolarHBondContact OD2-NH1 2.88Å; D127-R156 IonicContact OD2-NH2 2.74Å; D127-R156 PolarHBondContact OD2-NH2 2.82Å; D127-T243 HydrophobicContact CB-CG2 3.89Å
128M97.2Very high95.7Very high22 Ų2223.5 Ų23.511%0.10812%0.117CC..Hα-helixtrans-61.8-43.2177.3-171.8-179.1-151.700111.1P124 S125 V126 S132 T243 S255P124-M128 HydrophobicContact CB-SD 4.09Å; S125-M128 WeakPolarHBondContact O-CB 3.49Å; S125-M128 PolarHBondContact O-N 2.87Å; S125-M128 PolarHBondContact OG-N 2.66Å; S125-M128 VanDerWaalsContact OG-N 3.13Å; V126-M128 PolarHBondContact O-N 3.3Å; M128-S132 WeakPolarHBondContact O-CA 3.37Å; M128-S132 WeakPolarHBondContact O-CB 3.41Å; M128-S132 PolarHBondContact O-N 3.02Å; M128-T243 HydrophobicContact CB-CG2 4.13Å; M128-S255 WeakPolarHBondContact CE-OG 3.07Å; M128-S255 WeakPolarHBondContact CG-OG 2.92Å
129I97.9Very high95.5Very high0 Ų025.6 Ų25.60%013%0.131CC..Iπ-helixtrans-63.2-46.9176.3-64.9174.1000110.5G93 L96 L100 P124 S125 V126 D127 H131 W133 L134 I151G93-I129 VanDerWaalsContact CA-CD1 3.45Å; L96-I129 HydrophobicContact CB-CD1 3.8Å; L96-I129 HydrophobicContact CD1-CD1 4.12Å; L100-I129 HydrophobicContact CD1-CG2 3.57Å; P124-I129 HydrophobicContact CB-CD1 4.45Å; P124-I129 HydrophobicContact CB-CG1 4.21Å; P124-I129 HydrophobicContact CG-CD1 4.31Å; S125-I129 WeakPolarHBondContact O-CG1 3.47Å; S125-I129 PolarHBondContact O-N 3.03Å; S125-I129 VanDerWaalsContact O-N 3.11Å; V126-I129 PolarHBondContact O-N 2.89Å; D127-I129 VanDerWaalsContact C-N 3.33Å; D127-I129 PolarHBondContact O-N 3.5Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-H131 PolarHBondContact O-N 3.22Å; I129-W133 HydrophobicContact CB-CD2 4.32Å; I129-W133 HydrophobicContact CB-CE3 4.38Å; I129-W133 HydrophobicContact CB-CG 4.38Å; I129-W133 HydrophobicContact CD1-CE3 4.28Å; I129-W133 HydrophobicContact CD1-CZ3 4.21Å; I129-W133 HydrophobicContact CG1-CD2 3.79Å; I129-W133 HydrophobicContact CG1-CE3 3.75Å; I129-W133 HydrophobicContact CG1-CG 4.3Å; I129-W133 HydrophobicContact CG1-CH2 4.46Å; I129-W133 HydrophobicContact CG1-CZ2 4.49Å; I129-W133 HydrophobicContact CG1-CZ3 4.07Å; I129-W133 HydrophobicContact CG2-CB 4.16Å; I129-W133 HydrophobicContact CG2-CD2 4.35Å; I129-W133 HydrophobicContact CG2-CE3 4.08Å; I129-W133 HydrophobicContact CG2-CG 4.4Å; I129-W133 WeakPolarHBondContact O-CA 3.32Å; I129-W133 VanDerWaalsContact O-CB 3.31Å; I129-W133 WeakPolarHBondContact O-CB 3.36Å; I129-W133 PolarHBondContact O-N 3.25Å; I129-W133 VanDerWaalsContact O-N 3.08Å; I129-L134 PolarHBondContact O-N 3.21Å; I129-I151 HydrophobicContact CG2-CD1 3.82Å
130V97.4Very high95.5Very high33 Ų3325.4 Ų25.420%0.213%0.13CC..Iπ-helixtrans-58.5-46.3-179.8171.70000111.4V126 D127 L134 I151V126-V130 HydrophobicContact CG1-CG2 4.34Å; V126-V130 WeakPolarHBondContact O-CG2 3.45Å; V126-V130 PolarHBondContact O-N 3.02Å; D127-V130 PolarHBondContact O-N 3.3Å; V130-L134 HydrophobicContact CG1-CD1 4.47Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; V130-I151 HydrophobicContact CG2-CB 3.75Å; V130-I151 HydrophobicContact CG2-CG2 3.87Å
131H96.7Very high95.4Very high54 Ų5425.3 Ų25.325%0.2513%0.13CC..Iπ-helixtrans-93.4-28.1-169.6-69.2-65.8000114.5D127 I129 P135 I193 W245D127-H131 PolarHBondContact O-CD2 3.47Å; D127-H131 VanDerWaalsContact O-CD2 3.25Å; D127-H131 PolarHBondContact O-N 2.93Å; I129-H131 VanDerWaalsContact C-N 3.34Å; I129-H131 PolarHBondContact O-N 3.22Å; H131-P135 VanDerWaalsContact O-CG 3.3Å; H131-P135 WeakPolarHBondContact O-CG 3.4Å; H131-I193 WeakPolarHBondContact NE2-CD1 3.4Å; H131-W245 HydrophobicContact CB-CD2 3.56Å; H131-W245 HydrophobicContact CB-CE3 3.74Å; H131-W245 HydrophobicContact CB-CG 3.94Å; H131-W245 HydrophobicContact CB-CH2 4.41Å; H131-W245 HydrophobicContact CB-CZ2 4.27Å; H131-W245 HydrophobicContact CB-CZ3 4.15Å; H131-W245 AromaticContact CD2-CE3 3.92Å; H131-W245 AromaticContact CD2-CH2 3.45Å; H131-W245 VanDerWaalsContact CD2-CH2 3.45Å; H131-W245 WeakPolarHBondContact CD2-CH2 3.06Å; H131-W245 AromaticContact CD2-CZ2 3.97Å; H131-W245 AromaticContact CD2-CZ3 3.41Å; H131-W245 VanDerWaalsContact CD2-CZ3 3.41Å; H131-W245 WeakPolarHBondContact CD2-CZ3 3.46Å; H131-W245 AromaticContact CE1-CH2 3.58Å; H131-W245 AromaticContact CE1-CZ2 3.6Å; H131-W245 AromaticContact CG-CD2 3.83Å; H131-W245 AromaticContact CG-CE2 3.7Å; H131-W245 AromaticContact CG-CE3 3.8Å; H131-W245 AromaticContact CG-CH2 3.6Å; H131-W245 AromaticContact CG-CZ2 3.63Å; H131-W245 AromaticContact CG-CZ3 3.68Å; H131-W245 AromaticContact ND1-CE2 3.7Å; H131-W245 AromaticContact ND1-CH2 3.68Å; H131-W245 AromaticContact ND1-CZ2 3.38Å; H131-W245 WeakPolarHBondContact ND1-CZ2 3.25Å; H131-W245 AromaticContact NE2-CH2 3.45Å; H131-W245 WeakPolarHBondContact NE2-CH2 3.33Å; H131-W245 AromaticContact NE2-CZ2 3.96Å; H131-W245 AromaticContact NE2-CZ3 3.89Å
132S96Very high95.2Very high3 Ų323.3 Ų23.32%0.02112%0.121CC..Iπ-helixtrans-106.8-40-177.4-153.70000113.1M128 S255 D294M128-S132 WeakPolarHBondContact O-CA 3.37Å; M128-S132 WeakPolarHBondContact O-CB 3.41Å; M128-S132 PolarHBondContact O-N 3.02Å; S132-S255 WeakPolarHBondContact CB-OG 3.05Å; S132-S255 WeakPolarHBondContact OG-CB 3.34Å; S132-S255 PolarHBondContact OG-OG 3.27Å; S132-D294 PolarHBondContact OG-OD1 3.2Å
133W97.4Very high94.9Very high4 Ų425.6 Ų25.62%0.01514%0.14CC..Iπ-helixtrans-86.3-39.9-174-59.716.5000112.2E97 L100 P124 I129 I136 Y137 G296 T297 L300E97-W133 HydrophobicContact CB-CH2 4.08Å; E97-W133 HydrophobicContact CB-CZ3 3.61Å; E97-W133 HydrophobicContact CG-CH2 3.92Å; E97-W133 HydrophobicContact CG-CZ3 3.58Å; L100-W133 HydrophobicContact CD1-CE3 4.15Å; P124-W133 HydrophobicContact CB-CH2 4.21Å; P124-W133 HydrophobicContact CB-CZ2 3.76Å; P124-W133 HydrophobicContact CG-CH2 3.64Å; P124-W133 HydrophobicContact CG-CZ2 3.69Å; I129-W133 HydrophobicContact CB-CD2 4.32Å; I129-W133 HydrophobicContact CB-CE3 4.38Å; I129-W133 HydrophobicContact CB-CG 4.38Å; I129-W133 HydrophobicContact CD1-CE3 4.28Å; I129-W133 HydrophobicContact CD1-CZ3 4.21Å; I129-W133 HydrophobicContact CG1-CD2 3.79Å; I129-W133 HydrophobicContact CG1-CE3 3.75Å; I129-W133 HydrophobicContact CG1-CG 4.3Å; I129-W133 HydrophobicContact CG1-CH2 4.46Å; I129-W133 HydrophobicContact CG1-CZ2 4.49Å; I129-W133 HydrophobicContact CG1-CZ3 4.07Å; I129-W133 HydrophobicContact CG2-CB 4.16Å; I129-W133 HydrophobicContact CG2-CD2 4.35Å; I129-W133 HydrophobicContact CG2-CE3 4.08Å; I129-W133 HydrophobicContact CG2-CG 4.4Å; I129-W133 WeakPolarHBondContact O-CA 3.32Å; I129-W133 VanDerWaalsContact O-CB 3.31Å; I129-W133 WeakPolarHBondContact O-CB 3.36Å; I129-W133 PolarHBondContact O-N 3.25Å; I129-W133 VanDerWaalsContact O-N 3.08Å; W133-I136 WeakPolarHBondContact O-CG2 3.47Å; W133-I136 PolarHBondContact O-N 2.65Å; W133-Y137 VanDerWaalsContact O-CB 3.28Å; W133-Y137 WeakPolarHBondContact O-CB 3.26Å; W133-Y137 PolarHBondContact O-N 3.38Å; W133-G296 WeakPolarHBondContact CZ2-O 3.45Å; W133-T297 HydrophobicContact CB-CG2 4.26Å; W133-T297 HydrophobicContact CG-CG2 4.1Å; W133-T297 PolarHBondContact NE1-OG1 2.96Å; W133-L300 HydrophobicContact CB-CD2 4.16Å; W133-L300 HydrophobicContact CD2-CD2 4.45Å; W133-L300 HydrophobicContact CE3-CD2 3.88Å
134L96.5Very high94.5Very high1 Ų129.6 Ų29.61%0.00517%0.168CC..Hα-helixtrans-60.5-38.3-179.8-64.9-174.1000114L100 I129 V130 I136 Y137 R138 T149 I151L100-L134 HydrophobicContact CD1-CD2 4.41Å; L100-L134 HydrophobicContact CD2-CD2 3.81Å; I129-L134 PolarHBondContact O-N 3.21Å; V130-L134 HydrophobicContact CG1-CD1 4.47Å; V130-L134 WeakPolarHBondContact O-CB 3.4Å; L134-I136 PolarHBondContact O-N 3.04Å; L134-Y137 HydrophobicContact CD2-CD1 4.14Å; L134-Y137 PolarHBondContact O-N 2.92Å; L134-R138 VanDerWaalsContact O-CB 3.26Å; L134-R138 WeakPolarHBondContact O-CB 3.46Å; L134-R138 WeakPolarHBondContact O-CG 3.49Å; L134-R138 PolarHBondContact O-N 2.78Å; L134-T149 HydrophobicContact CD2-CG2 3.94Å; L134-I151 HydrophobicContact CD1-CD1 4.29Å; L134-I151 HydrophobicContact CD1-CG1 4.43Å; L134-I151 HydrophobicContact CD2-CD1 4.1Å; L134-I151 HydrophobicContact CG-CD1 4.46Å
135P94.7Very high94.3Very high46 Ų4628.8 Ų28.830%0.29916%0.164SC..Hα-helixtrans-53.9-50.9175.6-29.135.8000113.7H131 S139 V253H131-P135 VanDerWaalsContact O-CG 3.3Å; H131-P135 WeakPolarHBondContact O-CG 3.4Å; P135-S139 PolarHBondContact O-N 2.93Å; P135-V253 HydrophobicContact CB-CG2 4.37Å; P135-V253 HydrophobicContact CG-CG2 4.19Å
136I94.9Very high94Very high3 Ų328.8 Ų28.82%0.01516%0.164CC..Hα-helixtrans-71.2-39.4178.4-170.968.8000111.4W133 L134 R138 S139 S140 I179 F292 I293 T297 A301 L316W133-I136 WeakPolarHBondContact O-CG2 3.47Å; W133-I136 PolarHBondContact O-N 2.65Å; L134-I136 PolarHBondContact O-N 3.04Å; I136-R138 PolarHBondContact O-N 3.34Å; I136-S139 WeakPolarHBondContact O-CB 3.45Å; I136-S139 PolarHBondContact O-N 2.84Å; I136-S139 VanDerWaalsContact O-N 3.14Å; I136-S139 PolarHBondContact O-OG 3.45Å; I136-S140 PolarHBondContact O-N 3.16Å; I136-I179 HydrophobicContact CD1-CD1 4.07Å; I136-I179 HydrophobicContact CD1-CG2 3.97Å; I136-I179 HydrophobicContact CG1-CD1 4.21Å; I136-F292 HydrophobicContact CD1-CD1 4.24Å; I136-F292 HydrophobicContact CD1-CE1 4.11Å; I136-I293 HydrophobicContact CB-CG2 4.13Å; I136-I293 HydrophobicContact CD1-CG2 4.21Å; I136-I293 HydrophobicContact CG1-CG2 4.08Å; I136-I293 HydrophobicContact CG2-CG2 4.4Å; I136-T297 HydrophobicContact CG2-CG2 3.31Å; I136-A301 HydrophobicContact CG1-CB 4.29Å; I136-L316 HydrophobicContact CD1-CD1 4.28Å
137Y96.6Very high93.6Very high0 Ų032.7 Ų32.70%020%0.196CC..Hα-helixtrans-56.1-50.8176.1176.2-105.9000111.3L100 P104 W133 L134 S139 S140 I141 T149 S170 L304L100-Y137 HydrophobicContact CB-CD2 4.4Å; L100-Y137 HydrophobicContact CB-CE2 4.26Å; L100-Y137 HydrophobicContact CD2-CD1 3.93Å; L100-Y137 HydrophobicContact CD2-CD2 4.22Å; L100-Y137 HydrophobicContact CD2-CE1 3.77Å; L100-Y137 HydrophobicContact CD2-CE2 4.12Å; L100-Y137 HydrophobicContact CD2-CG 4.14Å; L100-Y137 WeakPolarHBondContact O-CE2 3.15Å; P104-Y137 HydrophobicContact CG-CE2 3.94Å; P104-Y137 WeakPolarHBondContact CG-OH 3.39Å; W133-Y137 VanDerWaalsContact O-CB 3.28Å; W133-Y137 WeakPolarHBondContact O-CB 3.26Å; W133-Y137 PolarHBondContact O-N 3.38Å; L134-Y137 HydrophobicContact CD2-CD1 4.14Å; L134-Y137 PolarHBondContact O-N 2.92Å; Y137-S139 PolarHBondContact O-N 3.41Å; Y137-S140 PolarHBondContact O-N 3.34Å; Y137-S140 PolarHBondContact O-OG 2.92Å; Y137-I141 HydrophobicContact CD1-CD1 3.8Å; Y137-I141 HydrophobicContact CD1-CG1 4.23Å; Y137-I141 HydrophobicContact CD2-CG2 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.16Å; Y137-I141 HydrophobicContact CE1-CG1 4Å; Y137-I141 HydrophobicContact CE1-CG2 4.34Å; Y137-I141 HydrophobicContact CE2-CD1 4.42Å; Y137-I141 HydrophobicContact CE2-CG2 3.63Å; Y137-I141 WeakPolarHBondContact O-CG1 3.38Å; Y137-I141 PolarHBondContact O-N 3.06Å; Y137-I141 VanDerWaalsContact O-N 3.1Å; Y137-T149 HydrophobicContact CD1-CG2 4.25Å; Y137-T149 HydrophobicContact CE1-CG2 3.76Å; Y137-S170 PolarHBondContact OH-OG 3.01Å; Y137-L304 HydrophobicContact CD2-CD1 3.78Å; Y137-L304 HydrophobicContact CD2-CD2 4.4Å; Y137-L304 HydrophobicContact CE2-CD2 4.37Å
138R95.4Very high93.4Very high100 Ų10033.5 Ų33.538%0.37720%0.203SC..Hα-helixtrans-59-33.8178.2-73.3176.3173.7147.33.7112.9L134 I136 S140 G146 T149L134-R138 VanDerWaalsContact O-CB 3.26Å; L134-R138 WeakPolarHBondContact O-CB 3.46Å; L134-R138 WeakPolarHBondContact O-CG 3.49Å; L134-R138 PolarHBondContact O-N 2.78Å; I136-R138 PolarHBondContact O-N 3.34Å; R138-S140 PolarHBondContact O-N 3.13Å; R138-G146 WeakPolarHBondContact CG-O 3.46Å; R138-G146 PolarHBondContact NE-O 3.14Å; R138-G146 VanDerWaalsContact NE-O 3.1Å; R138-T149 PolarHBondContact NH2-O 3.25Å
139S93.1Very high93.3Very high45 Ų4532.5 Ų32.532%0.31520%0.198SC..Hα-helixtrans-66.4-28176.4800000112.9P135 I136 Y137P135-S139 PolarHBondContact O-N 2.93Å; I136-S139 WeakPolarHBondContact O-CB 3.45Å; I136-S139 PolarHBondContact O-N 2.84Å; I136-S139 VanDerWaalsContact O-N 3.14Å; I136-S139 PolarHBondContact O-OG 3.45Å; Y137-S139 PolarHBondContact O-N 3.41Å
140S94Very high93.3Very high0 Ų038.2 Ų38.20%022%0.222CC..Hα-helixtrans-93.4-31.4-17774.20000114I136 Y137 R138 V176 V177 L304I136-S140 PolarHBondContact O-N 3.16Å; Y137-S140 PolarHBondContact O-N 3.34Å; Y137-S140 PolarHBondContact O-OG 2.92Å; R138-S140 PolarHBondContact O-N 3.13Å; S140-V176 WeakPolarHBondContact O-CG1 3.32Å; S140-V177 WeakPolarHBondContact O-CB 3.11Å; S140-V177 PolarHBondContact O-N 3.22Å; S140-L304 WeakPolarHBondContact OG-CD1 3.43Å
141I92.9Very high93.3Very high4 Ų437.3 Ų37.32%0.02122%0.216CC..Hα-helixtrans-90.3-0.3-17563.1158.7000114.1P104 Y137 A145 C173P104-I141 HydrophobicContact CB-CG2 4.17Å; P104-I141 HydrophobicContact CG-CG2 3.69Å; Y137-I141 HydrophobicContact CD1-CD1 3.8Å; Y137-I141 HydrophobicContact CD1-CG1 4.23Å; Y137-I141 HydrophobicContact CD2-CG2 4.11Å; Y137-I141 HydrophobicContact CE1-CD1 3.16Å; Y137-I141 HydrophobicContact CE1-CG1 4Å; Y137-I141 HydrophobicContact CE1-CG2 4.34Å; Y137-I141 HydrophobicContact CE2-CD1 4.42Å; Y137-I141 HydrophobicContact CE2-CG2 3.63Å; Y137-I141 WeakPolarHBondContact O-CG1 3.38Å; Y137-I141 PolarHBondContact O-N 3.06Å; Y137-I141 VanDerWaalsContact O-N 3.1Å; I141-A145 HydrophobicContact CB-CB 4.48Å; I141-A145 VanDerWaalsContact CD1-C 3.48Å; I141-A145 HydrophobicContact CD1-CB 3.8Å; I141-A145 HydrophobicContact CG1-CB 4.31Å; I141-C173 VanDerWaalsContact O-CB 3.26Å; I141-C173 WeakPolarHBondContact O-CB 3.49Å
142G86.1Confident93.4Very high23 Ų2337.3 Ų37.324%0.23722%0.218CC..  trans83.9162.4-179.400000113.9S144 G146G142-S144 PolarHBondContact O-N 3.14Å; G142-G146 WeakPolarHBondContact O-CA 3.26Å; G142-G146 PolarHBondContact O-N 3.36Å
143L85.2Confident93.5Very high161 Ų16138.1 Ų38.184%0.84322%0.222SC*.Hα-helixtrans-61.1-44-167-169.666.5000113.7A147L143-A147 VanDerWaalsContact O-CB 3.24Å; L143-A147 WeakPolarHBondContact O-CB 3.34Å; L143-A147 PolarHBondContact O-N 3.09Å
144S86.4Confident93.5Very high90 Ų9041.1 Ų41.163%0.62924%0.236SC*.Hα-helixtrans-68.4-51.4-176.1-175.20000112.5G142 S148G142-S144 PolarHBondContact O-N 3.14Å; S144-S148 PolarHBondContact O-N 3.26Å; S144-S148 PolarHBondContact O-OG 3.25Å
145A89.3Confident93.5Very high6 Ų644 Ų445%0.0525%0.249CC..Hα-helixtrans-67.9-39.4178.500000111.2I141 S148 T149 R171 C173I141-A145 HydrophobicContact CB-CB 4.48Å; I141-A145 VanDerWaalsContact CD1-C 3.48Å; I141-A145 HydrophobicContact CD1-CB 3.8Å; I141-A145 HydrophobicContact CG1-CB 4.31Å; A145-S148 WeakPolarHBondContact CA-OG 3.48Å; A145-S148 PolarHBondContact O-N 3.16Å; A145-S148 PolarHBondContact O-OG 3.46Å; A145-T149 PolarHBondContact O-N 2.61Å; A145-T149 VanDerWaalsContact O-N 3.13Å; A145-T149 PolarHBondContact O-OG1 2.75Å; A145-R171 WeakPolarHBondContact CB-O 3.38Å; A145-C173 HydrophobicContact CB-CB 4.11Å
146G90.2Very high93.6Very high2 Ų241.9 Ų41.92%0.02124%0.235CC..Hα-helixtrans-58.9-49.2176.600000113R138 G142 S148 T149R138-G146 WeakPolarHBondContact CG-O 3.46Å; R138-G146 PolarHBondContact NE-O 3.14Å; R138-G146 VanDerWaalsContact NE-O 3.1Å; G142-G146 WeakPolarHBondContact O-CA 3.26Å; G142-G146 PolarHBondContact O-N 3.36Å; G146-S148 VanDerWaalsContact C-N 3.27Å; G146-S148 PolarHBondContact O-N 3.12Å; G146-T149 PolarHBondContact O-N 3.44Å
147A90.5Very high93.7Very high81 Ų8141.8 Ų41.867%0.66923%0.234SC*.Hα-helixtrans-63.6-33.4178.200000112.6L143 T149L143-A147 VanDerWaalsContact O-CB 3.24Å; L143-A147 WeakPolarHBondContact O-CB 3.34Å; L143-A147 PolarHBondContact O-N 3.09Å; A147-T149 VanDerWaalsContact C-N 3.33Å
148S91.9Very high93.6Very high26 Ų2641.8 Ų41.818%0.18224%0.235CC..Hα-helixtrans-77.9-14.6178.2700000114.6S144 A145 G146 K150 R171S144-S148 PolarHBondContact O-N 3.26Å; S144-S148 PolarHBondContact O-OG 3.25Å; A145-S148 WeakPolarHBondContact CA-OG 3.48Å; A145-S148 PolarHBondContact O-N 3.16Å; A145-S148 PolarHBondContact O-OG 3.46Å; G146-S148 VanDerWaalsContact C-N 3.27Å; G146-S148 PolarHBondContact O-N 3.12Å; S148-K150 PolarHBondContact O-N 3.32Å; S148-R171 VanDerWaalsContact OG-CB 3.26Å; S148-R171 WeakPolarHBondContact OG-CB 3.46Å; S148-R171 WeakPolarHBondContact OG-CD 2.84Å; S148-R171 VanDerWaalsContact OG-CG 3.23Å; S148-R171 WeakPolarHBondContact OG-CG 3.06Å; S148-R171 PolarHBondContact OG-N 2.99Å
149T96.7Very high93.6Very high0 Ų040.4 Ų40.40%023%0.23CC..  trans-77.7113.7-178.3-59.40000110.3L100 L134 Y137 R138 A145 G146 A147 S169 S170L100-T149 HydrophobicContact CD2-CG2 4.33Å; L134-T149 HydrophobicContact CD2-CG2 3.94Å; Y137-T149 HydrophobicContact CD1-CG2 4.25Å; Y137-T149 HydrophobicContact CE1-CG2 3.76Å; R138-T149 PolarHBondContact NH2-O 3.25Å; A145-T149 PolarHBondContact O-N 2.61Å; A145-T149 VanDerWaalsContact O-N 3.13Å; A145-T149 PolarHBondContact O-OG1 2.75Å; G146-T149 PolarHBondContact O-N 3.44Å; A147-T149 VanDerWaalsContact C-N 3.33Å; T149-S169 CarbonylContact C-O 3.56Å; T149-S169 VanDerWaalsContact CA-O 3.25Å; T149-S169 WeakPolarHBondContact CA-O 3.36Å; T149-S170 PolarHBondContact OG1-OG 3.48Å
150K97Very high93.7Very high120 Ų12040.4 Ų40.452%0.52223%0.229SC..EExtended strand (participates in β ladder)trans-129137.4-178.4-172.1-176.6176.7-156.30110.2S148 D152 S169S148-K150 PolarHBondContact O-N 3.32Å; K150-D152 WeakPolarHBondContact CE-OD2 3.49Å; K150-D152 IonicContact NZ-OD2 3.3Å; K150-D152 PolarHBondContact NZ-OD2 3.1Å; K150-S169 PolarHBondContact N-O 3.09Å; K150-S169 PolarHBondContact O-N 2.6Å
151I98.3Very high93.7Very high14 Ų1441.4 Ų41.47%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-126.3122.2171.3-58.9177000106.2L96 V126 I129 V130 L134 V166 L167 F168L96-I151 HydrophobicContact CD1-CD1 4.45Å; L96-I151 HydrophobicContact CD1-CG2 4.1Å; L96-I151 HydrophobicContact CD2-CD1 4.25Å; L96-I151 HydrophobicContact CD2-CG2 4.46Å; V126-I151 HydrophobicContact CG1-CG2 3.49Å; V126-I151 VanDerWaalsContact CG1-CG2 3.49Å; I129-I151 HydrophobicContact CG2-CD1 3.82Å; V130-I151 HydrophobicContact CG2-CB 3.75Å; V130-I151 HydrophobicContact CG2-CG2 3.87Å; L134-I151 HydrophobicContact CD1-CD1 4.29Å; L134-I151 HydrophobicContact CD1-CG1 4.43Å; L134-I151 HydrophobicContact CD2-CD1 4.1Å; L134-I151 HydrophobicContact CG-CD1 4.46Å; I151-V166 HydrophobicContact CG2-CG1 3.65Å; I151-L167 CarbonylContact C-O 3.56Å; I151-L167 WeakPolarHBondContact CA-O 3.47Å; I151-F168 HydrophobicContact CD1-CD2 4.13Å; I151-F168 HydrophobicContact CD1-CE2 4.45Å; I151-F168 HydrophobicContact CG1-CD2 3.81Å; I151-F168 HydrophobicContact CG1-CE2 4.4Å
152D97.8Very high93.7Very high55 Ų5541.2 Ų41.229%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-129126.5-174-157.7-4.4000110.8K150 Q154 V166 L167K150-D152 WeakPolarHBondContact CE-OD2 3.49Å; K150-D152 IonicContact NZ-OD2 3.3Å; K150-D152 PolarHBondContact NZ-OD2 3.1Å; D152-Q154 VanDerWaalsContact CG-NE2 3.35Å; D152-Q154 PolarHBondContact O-N 3.21Å; D152-Q154 PolarHBondContact OD2-NE2 3.32Å; D152-V166 CarbonylContact O-C 3.58Å; D152-V166 WeakPolarHBondContact O-CA 3.27Å; D152-L167 HydrophobicContact CB-CB 4.37Å; D152-L167 PolarHBondContact N-O 2.79Å; D152-L167 PolarHBondContact O-N 2.73Å
153I98Very high94.1Very high19 Ų1941.3 Ų41.310%0.09724%0.239CC..EExtended strand (participates in β ladder)trans-89.9103.9179.9-56.2172.5000108.1V126 D127 R156 V166V126-I153 HydrophobicContact CB-CD1 3.84Å; V126-I153 HydrophobicContact CB-CG1 4.09Å; V126-I153 HydrophobicContact CG1-CD1 3.84Å; V126-I153 HydrophobicContact CG1-CG1 3.62Å; D127-I153 WeakPolarHBondContact OD1-CD1 3.21Å; I153-R156 HydrophobicContact CG2-CG 3.78Å; I153-V166 HydrophobicContact CG1-CG2 4.41Å
154Q97.6Very high94.7Very high67 Ų6733.6 Ų33.631%0.31320%0.199SC..EExtended strand (participates in β ladder)trans-77.8-41.6176.1-61.4-57.6-51.700111.4D152 E165 L167D152-Q154 VanDerWaalsContact CG-NE2 3.35Å; D152-Q154 PolarHBondContact O-N 3.21Å; D152-Q154 PolarHBondContact OD2-NE2 3.32Å; Q154-E165 HydrophobicContact CB-CB 4.24Å; Q154-E165 HydrophobicContact CB-CG 4.19Å; Q154-E165 PolarHBondContact N-O 2.99Å; Q154-L167 HydrophobicContact CG-CD1 3.74Å; Q154-L167 HydrophobicContact CG-CG 3.72Å
155K97.6Very high95.3Very high62 Ų6231.5 Ų31.527%0.2718%0.179SC..EExtended strand (participates in β ladder)trans-137.2138177.6-56.3175.4-179.4140.60108.9G164 E165 Q232 Y233K155-G164 CarbonylContact O-C 3.56Å; K155-G164 WeakPolarHBondContact O-CA 3.36Å; K155-E165 HydrophobicContact CB-CB 3.96Å; K155-E165 HydrophobicContact CD-CB 4.11Å; K155-E165 WeakPolarHBondContact CE-OE2 3.45Å; K155-E165 HydrophobicContact CG-CB 4.09Å; K155-E165 PolarHBondContact N-O 3.41Å; K155-E165 VanDerWaalsContact N-O 3.13Å; K155-E165 IonicContact NZ-OE2 2.68Å; K155-E165 PolarHBondContact NZ-OE2 3.37Å; K155-E165 PolarHBondContact O-N 2.75Å; K155-Q232 WeakPolarHBondContact CD-O 3.46Å; K155-Y233 HydrophobicContact CG-CD1 4.24Å
156R97.2Very high95.7Very high2 Ų231.2 Ų31.21%0.00818%0.176CC..  trans-89138.9169.7-73.2-173179-85.3-5.1109.3D127 I153 C197 D227 R229 Y233 A234 G235D127-R156 IonicContact OD1-CZ 3.14Å; D127-R156 IonicContact OD1-NH1 3.65Å; D127-R156 IonicContact OD1-NH2 2.59Å; D127-R156 PolarHBondContact OD1-NH2 3.09Å; D127-R156 IonicContact OD2-CZ 3.93Å; D127-R156 IonicContact OD2-NH1 2.83Å; D127-R156 PolarHBondContact OD2-NH1 2.88Å; D127-R156 IonicContact OD2-NH2 2.74Å; D127-R156 PolarHBondContact OD2-NH2 2.82Å; I153-R156 HydrophobicContact CG2-CG 3.78Å; R156-C197 WeakPolarHBondContact CB-SG 3.28Å; R156-D227 IonicContact CZ-OD2 3.67Å; R156-D227 VanDerWaalsContact CZ-OD2 3.29Å; R156-D227 IonicContact NE-OD2 2.75Å; R156-D227 PolarHBondContact NE-OD2 3.33Å; R156-D227 IonicContact NH2-OD2 2.72Å; R156-D227 PolarHBondContact NH2-OD2 3.14Å; R156-R229 HydrophobicContact CB-CG 4.46Å; R156-R229 HydrophobicContact CG-CG 4.36Å; R156-Y233 PolarHBondContact N-O 3.05Å; R156-Y233 VanDerWaalsContact N-O 3.13Å; R156-A234 CarbonylContact O-C 3.59Å; R156-A234 VanDerWaalsContact O-C 3.3Å; R156-G235 WeakPolarHBondContact O-CA 3.23Å; R156-G235 PolarHBondContact O-N 2.99Å
157G95.3Very high96.1Very high0 Ų034.1 Ų34.10%019%0.191CC..  trans-138.1111.9176.700000110.6V117 S118 G162V117-G157 CarbonylContact C-O 3.56Å; V117-G157 WeakPolarHBondContact CA-O 3.36Å; V117-G157 WeakPolarHBondContact CG1-O 3.3Å; S118-G157 PolarHBondContact N-O 3.4Å; S118-G157 PolarHBondContact OG-N 3.42Å; S118-G157 PolarHBondContact OG-O 3.34Å; G157-G162 VanDerWaalsContact CA-O 3.3Å; G157-G162 WeakPolarHBondContact CA-O 3.29Å
158V95.5Very high96.5Very high1 Ų130.4 Ų30.41%0.00616%0.16CC..BIsolated β-bridgetrans-86.8147.1-178.1-167.20000109.7G162 W195 C197 M259V158-G162 PolarHBondContact O-N 3.22Å; V158-W195 HydrophobicContact CG2-CH2 4.45Å; V158-W195 HydrophobicContact CG2-CZ3 3.8Å; V158-C197 HydrophobicContact CG2-CB 3.96Å; V158-M259 HydrophobicContact CG1-CE 3.85Å
159Y95.6Very high96.7Very high70 Ų7031 Ų3128%0.27516%0.164SC..THydrogen-bonded Turntrans-58.4144.4169-169.5-97.9000110.5N88 V117 N119 V120 P262N88-Y159 WeakPolarHBondContact O-CD2 3.39Å; N88-Y159 VanDerWaalsContact O-CE2 3.32Å; N88-Y159 WeakPolarHBondContact O-CE2 3.29Å; V117-Y159 VanDerWaalsContact CG1-N 3.34Å; V117-Y159 HydrophobicContact CG2-CD2 4.4Å; N119-Y159 PolarHBondContact O-N 3.09Å; V120-Y159 HydrophobicContact CG1-CD2 4.03Å; V120-Y159 HydrophobicContact CG1-CG 4.25Å; Y159-P262 HydrophobicContact CD1-CB 3.71Å; Y159-P262 HydrophobicContact CD1-CG 3.83Å; Y159-P262 HydrophobicContact CE1-CB 4.38Å
160P94.5Very high96.7Very high45 Ų4531 Ų3129%0.29217%0.165SC..THydrogen-bonded Turncis-88.9-21.21.832.7-35.1000115.2N88 G162 S237N88-P160 PolarHBondContact ND2-O 3.22Å; N88-P160 VanDerWaalsContact ND2-O 3.09Å; P160-G162 VanDerWaalsContact C-N 3.34Å; P160-G162 PolarHBondContact O-N 2.64Å; P160-S237 WeakPolarHBondContact CD-OG 3.38Å
161G93.3Very high96.6Very high22 Ų2231.9 Ų31.923%0.22716%0.164CC..THydrogen-bonded Turntrans-71.2-24.3-171.500000114.7N88 S237N88-G161 PolarHBondContact ND2-O 3.11Å; G161-S237 WeakPolarHBondContact CA-OG 3.14Å; G161-S237 PolarHBondContact N-OG 3.41Å
162G93.7Very high96.5Very high0 Ų031.7 Ų31.70%016%0.164CC..  trans64.9-135.4179.200000112.8G116 G157 V158 P160 G235 K236G116-G162 CarbonylContact O-C 3.54Å; G157-G162 VanDerWaalsContact CA-O 3.3Å; G157-G162 WeakPolarHBondContact CA-O 3.29Å; V158-G162 PolarHBondContact O-N 3.22Å; P160-G162 VanDerWaalsContact C-N 3.34Å; P160-G162 PolarHBondContact O-N 2.64Å; G162-G235 CarbonylContact O-C 3.53Å; G162-G235 VanDerWaalsContact O-C 3.3Å; G162-G235 WeakPolarHBondContact O-CA 3.33Å; G162-K236 PolarHBondContact O-N 2.83Å
163G95.3Very high96.2Very high24 Ų2429.5 Ų29.525%0.24715%0.153CC..  trans81.216.4-177.600000114.7G116G116-G163 PolarHBondContact O-N 3.28Å; G116-G163 VanDerWaalsContact O-N 3.12Å
164G97Very high95.7Very high0 Ų033 Ų330%018%0.18CC..EExtended strand (participates in β ladder)trans-77.4156.1168.500000110.9V115 G116 K155V115-G164 CarbonylContact C-O 3.57Å; V115-G164 VanDerWaalsContact CA-O 3.26Å; V115-G164 WeakPolarHBondContact CA-O 3.23Å; G116-G164 PolarHBondContact N-O 3.46Å; G116-G164 WeakPolarHBondContact O-CA 3.26Å; G116-G164 PolarHBondContact O-N 2.89Å; K155-G164 CarbonylContact O-C 3.56Å; K155-G164 WeakPolarHBondContact O-CA 3.36Å
165E98.1Very high95.4Very high45 Ų4530.1 Ų30.121%0.2117%0.167CC..EExtended strand (participates in β ladder)trans-142123.3-177-175.9-179.1149.600108.6T113 L114 V115 Q154 K155T113-E165 HydrophobicContact CG2-CG 3.91Å; L114-E165 WeakPolarHBondContact O-CA 3.24Å; V115-E165 HydrophobicContact CG2-CG 4.29Å; Q154-E165 HydrophobicContact CB-CB 4.24Å; Q154-E165 HydrophobicContact CB-CG 4.19Å; Q154-E165 PolarHBondContact N-O 2.99Å; K155-E165 HydrophobicContact CB-CB 3.96Å; K155-E165 HydrophobicContact CD-CB 4.11Å; K155-E165 WeakPolarHBondContact CE-OE2 3.45Å; K155-E165 HydrophobicContact CG-CB 4.09Å; K155-E165 PolarHBondContact N-O 3.41Å; K155-E165 VanDerWaalsContact N-O 3.13Å; K155-E165 IonicContact NZ-OE2 2.68Å; K155-E165 PolarHBondContact NZ-OE2 3.37Å; K155-E165 PolarHBondContact O-N 2.75Å
166V98.5Very high95.3Very high0 Ų027.1 Ų27.10%015%0.154CC..EExtended strand (participates in β ladder)trans-128.1130.3-176.6178.80000109.5I92 L96 L114 V126 I151 D152 I153I92-V166 HydrophobicContact CD1-CB 4.41Å; I92-V166 HydrophobicContact CD1-CG2 3.79Å; I92-V166 HydrophobicContact CG2-CB 4.11Å; I92-V166 HydrophobicContact CG2-CG2 4.02Å; L96-V166 HydrophobicContact CD1-CG1 4.45Å; L114-V166 PolarHBondContact N-O 3Å; L114-V166 PolarHBondContact O-N 2.75Å; V126-V166 HydrophobicContact CG1-CG1 4.05Å; V126-V166 HydrophobicContact CG1-CG2 4.27Å; V126-V166 HydrophobicContact CG2-CG2 3.93Å; I151-V166 HydrophobicContact CG2-CG1 3.65Å; D152-V166 CarbonylContact O-C 3.58Å; D152-V166 WeakPolarHBondContact O-CA 3.27Å; I153-V166 HydrophobicContact CG1-CG2 4.41Å
167L98.4Very high95.2Very high63 Ų6330.2 Ų30.233%0.3317%0.173SC..EExtended strand (participates in β ladder)trans-95.5121.1172-58.3178000109.1T113 I151 D152 Q154T113-L167 HydrophobicContact CG2-CD2 3.89Å; T113-L167 WeakPolarHBondContact OG1-CD2 3.49Å; I151-L167 CarbonylContact C-O 3.56Å; I151-L167 WeakPolarHBondContact CA-O 3.47Å; D152-L167 HydrophobicContact CB-CB 4.37Å; D152-L167 PolarHBondContact N-O 2.79Å; D152-L167 PolarHBondContact O-N 2.73Å; Q154-L167 HydrophobicContact CG-CD1 3.74Å; Q154-L167 HydrophobicContact CG-CG 3.72Å
168F98.5Very high95.2Very high3 Ų332.4 Ų32.41%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-108.8125.3172.4171.7-91.8000109.2L96 L99 L100 A103 I110 E111 A112 I151 S170L96-F168 HydrophobicContact CD2-CB 3.96Å; L96-F168 HydrophobicContact CD2-CD2 3.72Å; L96-F168 HydrophobicContact CD2-CG 4.13Å; L99-F168 HydrophobicContact CB-CD1 4.42Å; L99-F168 HydrophobicContact CB-CE1 3.98Å; L99-F168 HydrophobicContact CB-CE2 4.26Å; L99-F168 HydrophobicContact CB-CZ 3.91Å; L99-F168 HydrophobicContact CD1-CB 4.48Å; L99-F168 HydrophobicContact CD1-CD1 3.89Å; L99-F168 HydrophobicContact CD1-CE1 4.26Å; L99-F168 HydrophobicContact CD1-CG 4.08Å; L100-F168 HydrophobicContact CD2-CE2 3.93Å; L100-F168 HydrophobicContact CD2-CZ 4.5Å; L100-F168 HydrophobicContact CG-CE2 4.39Å; A103-F168 HydrophobicContact CB-CE1 4.41Å; A103-F168 HydrophobicContact CB-CZ 4.1Å; I110-F168 HydrophobicContact CB-CD1 4.35Å; I110-F168 HydrophobicContact CB-CE1 4Å; I110-F168 HydrophobicContact CD1-CE1 4.35Å; I110-F168 HydrophobicContact CG2-CD1 3.76Å; I110-F168 HydrophobicContact CG2-CE1 3.81Å; E111-F168 CarbonylContact C-O 3.58Å; E111-F168 WeakPolarHBondContact CA-O 3.46Å; A112-F168 HydrophobicContact CB-CB 4.33Å; A112-F168 HydrophobicContact CB-CD1 4.36Å; A112-F168 PolarHBondContact N-O 3.43Å; A112-F168 PolarHBondContact O-N 3.5Å; I151-F168 HydrophobicContact CD1-CD2 4.13Å; I151-F168 HydrophobicContact CD1-CE2 4.45Å; I151-F168 HydrophobicContact CG1-CD2 3.81Å; I151-F168 HydrophobicContact CG1-CE2 4.4Å; F168-S170 VanDerWaalsContact CZ-CB 3.49Å
169S97.9Very high95.2Very high39 Ų3932.5 Ų32.527%0.27319%0.188SC..EExtended strand (participates in β ladder)trans-127.4132.6171.5-173.80000109.9I110 T149 K150I110-S169 VanDerWaalsContact O-CA 3.27Å; I110-S169 WeakPolarHBondContact O-CA 3.39Å; T149-S169 CarbonylContact C-O 3.56Å; T149-S169 VanDerWaalsContact CA-O 3.25Å; T149-S169 WeakPolarHBondContact CA-O 3.36Å; K150-S169 PolarHBondContact N-O 3.09Å; K150-S169 PolarHBondContact O-N 2.6Å
170S96.4Very high95.2Very high1 Ų133.3 Ų33.31%0.00720%0.197CC..EExtended strand (participates in β ladder)trans-153.5139.4174.9-168.60000111P109 I110 Y137 T149 F168P109-S170 WeakPolarHBondContact CA-O 3.33Å; I110-S170 PolarHBondContact N-O 2.79Å; I110-S170 PolarHBondContact O-N 2.89Å; I110-S170 VanDerWaalsContact O-N 3.1Å; Y137-S170 PolarHBondContact OH-OG 3.01Å; T149-S170 PolarHBondContact OG1-OG 3.48Å; F168-S170 VanDerWaalsContact CZ-CB 3.49Å
171R95Very high95.3Very high137 Ų13734.6 Ų34.652%0.51720%0.198SC..PPolyproline II helixtrans-95.2146.9173.8-64.8-178.9176.2-171.9-2.8110.9P109 A145 S148P109-R171 HydrophobicContact CB-CG 4.23Å; P109-R171 HydrophobicContact CG-CG 4.08Å; A145-R171 WeakPolarHBondContact CB-O 3.38Å; S148-R171 VanDerWaalsContact OG-CB 3.26Å; S148-R171 WeakPolarHBondContact OG-CB 3.46Å; S148-R171 WeakPolarHBondContact OG-CD 2.84Å; S148-R171 VanDerWaalsContact OG-CG 3.23Å; S148-R171 WeakPolarHBondContact OG-CG 3.06Å; S148-R171 PolarHBondContact OG-N 2.99Å
172P94.5Very high95.3Very high11 Ų1135.4 Ų35.47%0.07120%0.197CC..PPolyproline II helixtrans-72.3146.5174.529.3-35.2000112.5C106 K388C106-P172 HydrophobicContact CB-CB 4.48Å; C106-P172 WeakPolarHBondContact O-CB 3.16Å; C106-P172 WeakPolarHBondContact O-CG 3.17Å; P172-K388 PolarHBondContact O-NZ 2.81Å
173C91.6Very high95.1Very high8 Ų840.2 Ų40.25%0.05422%0.222CC..PPolyproline II helixtrans-96.3166.6171.5700000110.9P104 I141 A145 G175 N385P104-C173 PolarHBondContact O-N 3.45Å; P104-C173 VanDerWaalsContact O-N 3.09Å; I141-C173 VanDerWaalsContact O-CB 3.26Å; I141-C173 WeakPolarHBondContact O-CB 3.49Å; A145-C173 HydrophobicContact CB-CB 4.11Å; C173-G175 VanDerWaalsContact C-N 3.34Å; C173-G175 PolarHBondContact SG-O 3.32Å; C173-N385 WeakPolarHBondContact O-CB 3.3Å; C173-N385 PolarHBondContact O-ND2 3.14Å
174S88.1Confident94.7Very high94 Ų9440.6 Ų40.666%0.65722%0.219SC*.SBendtrans-72.1-33171.142.70000111.8N385S174-N385 WeakPolarHBondContact O-CB 3.49Å; S174-N385 PolarHBondContact O-N 2.89Å; S174-N385 VanDerWaalsContact O-N 3.12Å
175G91.8Very high94.3Very high5 Ų542.5 Ų42.55%0.05224%0.239CC..BIsolated β-bridgetrans-172.3157176.500000109.8C173C173-G175 VanDerWaalsContact C-N 3.34Å; C173-G175 PolarHBondContact SG-O 3.32Å
176V95.4Very high94.1Very high0 Ų049.4 Ų49.40%027%0.268CS..BIsolated β-bridgetrans-75.3138174-178.20000108.6P104 F105 S140 L304 S309P104-V176 HydrophobicContact CB-CG2 4.35Å; F105-V176 HydrophobicContact CE1-CG2 4.23Å; F105-V176 HydrophobicContact CZ-CG2 3.71Å; S140-V176 WeakPolarHBondContact O-CG1 3.32Å; V176-L304 HydrophobicContact CG1-CB 4.3Å; V176-L304 WeakPolarHBondContact CG1-O 3.3Å; V176-L304 HydrophobicContact CG2-CD2 4.43Å; V176-S309 PolarHBondContact O-N 2.75Å; V176-S309 PolarHBondContact O-OG 3.47Å
177V94.9Very high94Very high67 Ų6751 Ų5141%0.40628%0.278SS..PPolyproline II helixtrans-94.1145.7-178.5-179.60000109.2S140S140-V177 WeakPolarHBondContact O-CB 3.11Å; S140-V177 PolarHBondContact O-N 3.22Å
178P95.8Very high93.9Very high45 Ų4552 Ų5229%0.29228%0.278SS..PPolyproline II helixtrans-61.9144.8179.124.8-35.2000112.2E308 N312 S314P178-E308 HydrophobicContact CB-CG 3.96Å; P178-E308 WeakPolarHBondContact CD-OE1 3.4Å; P178-E308 HydrophobicContact CG-CG 4.42Å; P178-N312 HydrophobicContact CB-CB 4.06Å; P178-N312 HydrophobicContact CG-CB 3.97Å; P178-S314 WeakPolarHBondContact CA-OG 3.32Å; P178-S314 WeakPolarHBondContact CB-OG 3.11Å
179I95.6Very high93.8Very high4 Ų455.4 Ų55.42%0.02129%0.291CS..PPolyproline II helixtrans-100125.3175-57.9179.5000108I136 K181 M305 S314 R315 L316I136-I179 HydrophobicContact CD1-CD1 4.07Å; I136-I179 HydrophobicContact CD1-CG2 3.97Å; I136-I179 HydrophobicContact CG1-CD1 4.21Å; I179-K181 HydrophobicContact CG2-CB 4.12Å; I179-K181 HydrophobicContact CG2-CG 3.75Å; I179-M305 HydrophobicContact CB-CG 4.26Å; I179-M305 HydrophobicContact CD1-CG 3.89Å; I179-M305 HydrophobicContact CG1-CG 4.3Å; I179-S314 PolarHBondContact N-OG 3.18Å; I179-S314 CarbonylContact O-C 3.59Å; I179-S314 WeakPolarHBondContact O-CA 3.26Å; I179-S314 WeakPolarHBondContact O-CB 3.4Å; I179-R315 PolarHBondContact O-N 3.1Å; I179-R315 VanDerWaalsContact O-O 3.11Å; I179-L316 HydrophobicContact CG2-CD1 4.2Å
180D95.6Very high93.9Very high86 Ų8653.6 Ų53.646%0.4628%0.278SS..EExtended strand (participates in β ladder)trans-127.192.4170.7-166.322.6000109.3R315D180-R315 WeakPolarHBondContact CA-O 3.3Å; D180-R315 VanDerWaalsContact CG-NH2 3.29Å; D180-R315 IonicContact OD1-CZ 3.44Å; D180-R315 IonicContact OD1-NE 2.83Å; D180-R315 PolarHBondContact OD1-NE 3.44Å; D180-R315 IonicContact OD1-NH2 3.26Å; D180-R315 PolarHBondContact OD1-NH2 2.83Å; D180-R315 IonicContact OD2-CZ 2.7Å; D180-R315 IonicContact OD2-NE 3.87Å; D180-R315 IonicContact OD2-NH2 3.92Å; D180-R315 PolarHBondContact OD2-NH2 2.72Å
181K95.5Very high94Very high73 Ų7355.8 Ų55.832%0.31729%0.286SS..EExtended strand (participates in β ladder)trans-137.774.5-172.6-66.5-61.2-176.1-179.60110I179 F292 R315 L316 A317I179-K181 HydrophobicContact CG2-CB 4.12Å; I179-K181 HydrophobicContact CG2-CG 3.75Å; K181-F292 HydrophobicContact CB-CB 4.31Å; K181-F292 HydrophobicContact CB-CD1 3.75Å; K181-F292 HydrophobicContact CB-CD2 3.85Å; K181-F292 HydrophobicContact CB-CE1 3.99Å; K181-F292 HydrophobicContact CB-CE2 4.05Å; K181-F292 HydrophobicContact CB-CG 3.69Å; K181-F292 HydrophobicContact CB-CZ 4.14Å; K181-F292 HydrophobicContact CD-CD2 4.39Å; K181-F292 HydrophobicContact CD-CE1 4.06Å; K181-F292 HydrophobicContact CD-CE2 3.74Å; K181-F292 HydrophobicContact CD-CZ 3.57Å; K181-F292 HydrophobicContact CG-CD1 4.1Å; K181-F292 HydrophobicContact CG-CD2 4.47Å; K181-F292 HydrophobicContact CG-CE1 3.82Å; K181-F292 HydrophobicContact CG-CE2 4.19Å; K181-F292 HydrophobicContact CG-CG 4.43Å; K181-F292 HydrophobicContact CG-CZ 3.87Å; K181-R315 PolarHBondContact N-O 3.43Å; K181-L316 HydrophobicContact CB-CD1 3.81Å; K181-A317 PolarHBondContact O-N 3.09Å
182I93.1Very high94.1Very high39 Ų3949.3 Ų49.320%0.226%0.262CS..  trans-97.4-24.2-177.358.7174.1000113.3V184 R315 V375I182-V184 PolarHBondContact O-N 2.79Å; I182-R315 HydrophobicContact CG2-CB 3.69Å; I182-V375 HydrophobicContact CG2-CG1 4.13Å
183D89.2Confident94.3Very high101 Ų10149.8 Ų49.854%0.5426%0.264SS..  trans-71.1129.2-174.8-65-33.2000111.2R248D183-R248 PolarHBondContact O-NH2 3.22Å; D183-R248 VanDerWaalsContact O-NH2 3.09Å
184V87.9Confident94.6Very high31 Ų3149.4 Ų49.419%0.18826%0.261CS..  trans-118.185.4175.8-176.40000109.9I182 A317 I373I182-V184 PolarHBondContact O-N 2.79Å; V184-A317 HydrophobicContact CG2-CB 3.71Å; V184-I373 HydrophobicContact CB-CD1 3.65Å; V184-I373 HydrophobicContact CB-CG1 4.42Å; V184-I373 HydrophobicContact CG2-CD1 3.61Å; V184-I373 HydrophobicContact CG2-CG1 4.27Å; V184-I373 HydrophobicContact CG2-CG2 4.09Å
185G89.4Confident95Very high40 Ų4045.1 Ų45.141%0.41223%0.231SC..  trans-86.2179.5172.400000114.2R248G185-R248 PolarHBondContact O-NE 2.91Å
186K92.5Very high95.3Very high190 Ų19044.9 Ų44.983%0.82623%0.228SC*.  trans-76.5148.1-177.4-60.1-176.9-178.6-177.60112.5
187V96.2Very high95.3Very high34 Ų3444.9 Ų44.921%0.20623%0.228CC..EExtended strand (participates in β ladder)trans-66131.1165.7173.60000108.3V190 L219 A246 E247 R248 Y254 I287V187-V190 HydrophobicContact CG1-CG2 4.33Å; V187-L219 HydrophobicContact CG1-CD2 4.4Å; V187-A246 HydrophobicContact CG1-CB 3.79Å; V187-A246 HydrophobicContact CG2-CB 4.01Å; V187-E247 WeakPolarHBondContact CA-O 3.42Å; V187-R248 HydrophobicContact CG2-CG 3.87Å; V187-Y254 HydrophobicContact CG2-CD2 4.13Å; V187-Y254 HydrophobicContact CG2-CE2 4.12Å; V187-I287 HydrophobicContact CG2-CD1 4.29Å; V187-I287 HydrophobicContact CG2-CG1 4.3Å; V187-I287 HydrophobicContact CG2-CG2 4.45Å
188Y96.5Very high95.4Very high84 Ų8447.3 Ų47.333%0.32923%0.23SC..EExtended strand (participates in β ladder)trans-108.1-21.6179.575.1-81.3000113.2E247 K249Y188-E247 WeakPolarHBondContact CD1-O 3.42Å; Y188-E247 HydrophobicContact CE1-CB 3.74Å; Y188-E247 WeakPolarHBondContact CE1-O 3.43Å; Y188-E247 PolarHBondContact N-O 2.94Å; Y188-E247 PolarHBondContact OH-OE2 3.12Å; Y188-K249 HydrophobicContact CD1-CG 3.9Å; Y188-K249 HydrophobicContact CG-CG 4.16Å
189R97.7Very high95.3Very high75 Ų7546.7 Ų46.728%0.28323%0.226SC..EExtended strand (participates in β ladder)trans-155.4157.2177.770-179.1-178-168.6-0.7112D221 E247R189-D221 WeakPolarHBondContact CA-O 3.43Å; R189-D221 HydrophobicContact CB-CB 4.06Å; R189-D221 WeakPolarHBondContact CB-OD2 3.29Å; R189-E247 HydrophobicContact CG-CB 4.01Å; R189-E247 IonicContact CZ-OE2 2.86Å; R189-E247 IonicContact NE-OE2 3.29Å; R189-E247 PolarHBondContact NE-OE2 3.14Å; R189-E247 IonicContact NH2-OE1 2.73Å; R189-E247 IonicContact NH2-OE2 2.97Å; R189-E247 PolarHBondContact NH2-OE2 3.1Å; R189-E247 PolarHBondContact O-N 3.48Å
190V98.4Very high95.3Very high0 Ų049.4 Ų49.40%025%0.245CC..EExtended strand (participates in β ladder)trans-120.3136.7171.5176.10000109.4V187 L215 L219 D221 V222 Y223 F224 A246 L283V187-V190 HydrophobicContact CG1-CG2 4.33Å; V190-L215 HydrophobicContact CG1-CD1 4.01Å; V190-L219 HydrophobicContact CB-CD1 4.26Å; V190-L219 HydrophobicContact CG2-CD1 3.95Å; V190-L219 HydrophobicContact CG2-CD2 3.76Å; V190-L219 HydrophobicContact CG2-CG 4.39Å; V190-D221 PolarHBondContact N-O 3.2Å; V190-V222 HydrophobicContact CB-CG1 4.44Å; V190-V222 HydrophobicContact CB-CG2 4.32Å; V190-V222 WeakPolarHBondContact O-CA 3.5Å; V190-Y223 PolarHBondContact O-N 3.21Å; V190-F224 HydrophobicContact CG1-CE1 4.39Å; V190-A246 HydrophobicContact CG2-CB 4.1Å; V190-L283 HydrophobicContact CG1-CD2 3.84Å; V190-L283 HydrophobicContact CG2-CD2 4.31Å
191R98.4Very high95.3Very high48 Ų4848.1 Ų48.118%0.18124%0.242CC..EExtended strand (participates in β ladder)trans-124.1163.7175.1-63.5-65.2175.8-96.18.2109.2D221 Y223 W245R191-D221 IonicContact CZ-OD1 3.95Å; R191-D221 VanDerWaalsContact CZ-OD1 3.26Å; R191-D221 PolarHBondContact NH1-O 2.61Å; R191-D221 IonicContact NH1-OD1 3.39Å; R191-D221 PolarHBondContact NH1-OD1 3.37Å; R191-D221 IonicContact NH2-OD1 3.74Å; R191-D221 PolarHBondContact NH2-OD1 3.5Å; R191-D221 IonicContact NH2-OD2 2.73Å; R191-D221 PolarHBondContact NH2-OD2 3.08Å; R191-Y223 CarbonylContact C-O 3.3Å; R191-Y223 VanDerWaalsContact CA-O 3.25Å; R191-Y223 WeakPolarHBondContact CA-O 3.28Å; R191-W245 HydrophobicContact CB-CD2 4.07Å; R191-W245 HydrophobicContact CB-CH2 4.19Å; R191-W245 HydrophobicContact CB-CZ2 3.43Å; R191-W245 VanDerWaalsContact CB-CZ2 3.43Å; R191-W245 HydrophobicContact CG-CZ2 4.42Å; R191-W245 PolarHBondContact N-O 3.03Å; R191-W245 PolarHBondContact O-N 3.24Å; R191-W245 VanDerWaalsContact O-O 3.12Å
192G98.2Very high95.3Very high1 Ų147.4 Ų47.41%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-172.9164.7175.100000113.2Y223 F224 T225 T243 W245G192-Y223 PolarHBondContact N-O 3.3Å; G192-F224 CarbonylContact O-C 3.3Å; G192-F224 WeakPolarHBondContact O-CA 3.44Å; G192-T225 PolarHBondContact O-N 2.96Å; G192-T243 CarbonylContact C-O 3.49Å; G192-T243 WeakPolarHBondContact CA-O 3.47Å; G192-W245 VanDerWaalsContact CA-CZ3 3.45Å
193I98.3Very high95.5Very high21 Ų2150.2 Ų50.211%0.10826%0.256CS..EExtended strand (participates in β ladder)trans-121.9116.1177.3-64.7168000107.9H131 T225 D227 T243 W245H131-I193 WeakPolarHBondContact NE2-CD1 3.4Å; I193-T225 CarbonylContact C-O 3.59Å; I193-T225 WeakPolarHBondContact CA-O 3.44Å; I193-D227 HydrophobicContact CG2-CB 3.87Å; I193-T243 PolarHBondContact N-O 3.28Å; I193-T243 PolarHBondContact O-N 2.95Å; I193-W245 HydrophobicContact CD1-CH2 4Å; I193-W245 HydrophobicContact CD1-CZ3 4.11Å; I193-W245 HydrophobicContact CG1-CH2 3.86Å; I193-W245 HydrophobicContact CG1-CZ3 3.92Å
194S98.1Very high95.8Very high0 Ų045.4 Ų45.40%023%0.23CC..EExtended strand (participates in β ladder)trans-93.3108.2171.11770000108.7G204 L207 T225 I226 D227S194-G204 WeakPolarHBondContact OG-CA 3.36Å; S194-G204 PolarHBondContact OG-O 3.3Å; S194-L207 WeakPolarHBondContact OG-CD1 3.13Å; S194-T225 PolarHBondContact N-O 2.94Å; S194-I226 CarbonylContact O-C 3.56Å; S194-I226 WeakPolarHBondContact O-CA 3.38Å; S194-D227 PolarHBondContact O-N 3.46Å
195W97.4Very high96.3Very high3 Ų349.3 Ų49.31%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-106.3149.8-17855.4-95.9000112.4N119 V158 D227 F240 G241 M259N119-W195 HydrophobicContact CB-CH2 3.8Å; N119-W195 HydrophobicContact CB-CZ2 3.8Å; N119-W195 WeakPolarHBondContact ND2-CZ2 3.47Å; V158-W195 HydrophobicContact CG2-CH2 4.45Å; V158-W195 HydrophobicContact CG2-CZ3 3.8Å; W195-D227 CarbonylContact C-O 3.45Å; W195-D227 WeakPolarHBondContact CA-O 3.46Å; W195-D227 HydrophobicContact CB-CB 4.26Å; W195-F240 VanDerWaalsContact CZ3-C 3.43Å; W195-F240 VanDerWaalsContact CZ3-CA 3.47Å; W195-F240 VanDerWaalsContact O-CA 3.3Å; W195-F240 WeakPolarHBondContact O-CA 3.37Å; W195-F240 WeakPolarHBondContact O-CB 3.48Å; W195-G241 PolarHBondContact N-O 3.29Å; W195-G241 PolarHBondContact O-N 3.27Å; W195-M259 HydrophobicContact CH2-CB 3.85Å; W195-M259 HydrophobicContact CH2-CE 4.27Å; W195-M259 HydrophobicContact CH2-SD 4.4Å; W195-M259 HydrophobicContact CZ2-CB 3.78Å
196S96.8Very high96.7Very high0 Ų049.8 Ų49.80%024%0.243CC..EExtended strand (participates in β ladder)trans-149134.217649.90000111.3D227 H228 R229S196-D227 PolarHBondContact N-O 3.32Å; S196-H228 PolarHBondContact O-ND1 3.31Å; S196-H228 PolarHBondContact OG-ND1 2.82Å; S196-R229 PolarHBondContact O-N 2.96Å
197C96.5Very high97Very high0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-129.8128.9-176.3-62.60000109.9R156 V158 V199 A234 P238 G239R156-C197 WeakPolarHBondContact CB-SG 3.28Å; V158-C197 HydrophobicContact CG2-CB 3.96Å; C197-V199 PolarHBondContact O-N 3.26Å; C197-A234 HydrophobicContact CB-CB 4.25Å; C197-P238 WeakPolarHBondContact O-CA 3.26Å; C197-G239 PolarHBondContact N-O 3.43Å; C197-G239 PolarHBondContact O-N 2.94Å
198R95.3Very high97.1Very high119 Ų11939.8 Ų39.845%0.44920%0.198SC..SBendtrans51.922.6-178.7-69.5-150.5175.776.22.9116.3A234 G235 K236 P238R198-A234 HydrophobicContact CG-CB 4.25Å; R198-A234 PolarHBondContact NH1-O 3.27Å; R198-G235 PolarHBondContact NH1-O 3.49Å; R198-G235 PolarHBondContact NH2-O 3.09Å; R198-K236 PolarHBondContact NH1-O 3.3Å; R198-P238 HydrophobicContact CB-CB 4.06Å
199V94.8Very high97.2Very high32 Ų3238.8 Ų38.819%0.19420%0.203CC..SBendtrans-127.2172.1172.4-61.50000109.3C197 Y203 H228 P238 F240C197-V199 PolarHBondContact O-N 3.26Å; V199-Y203 HydrophobicContact CB-CD2 3.74Å; V199-Y203 HydrophobicContact CB-CE2 3.97Å; V199-Y203 HydrophobicContact CG2-CD2 3.84Å; V199-Y203 HydrophobicContact CG2-CG 4.28Å; V199-H228 PolarHBondContact O-CE1 2.92Å; V199-P238 HydrophobicContact CG1-CB 3.84Å; V199-F240 HydrophobicContact CG2-CB 4.22Å; V199-F240 HydrophobicContact CG2-CD1 4.16Å
200S95.3Very high97.2Very high61 Ų6135.2 Ų35.243%0.42719%0.19SC..  trans-61.2147174.6177.10000111.7S202 Y203S200-S202 VanDerWaalsContact CB-OG 3.3Å; S200-S202 WeakPolarHBondContact CB-OG 3.46Å; S200-S202 PolarHBondContact O-N 3.45Å; S200-S202 PolarHBondContact OG-N 2.88Å; S200-S202 PolarHBondContact OG-OG 3.47Å; S200-Y203 WeakPolarHBondContact O-CD2 3.24Å; S200-Y203 PolarHBondContact O-N 3.33Å
201S94.9Very high97.2Very high58 Ų5835.2 Ų35.241%0.40619%0.19SC..THydrogen-bonded Turntrans-64.2-17.517255.70000112.9Y203 G204 Q205S201-Y203 PolarHBondContact O-N 3.44Å; S201-G204 PolarHBondContact O-N 3.39Å; S201-Q205 PolarHBondContact O-N 2.84Å
202S96.4Very high97.2Very high59 Ų5936.5 Ų36.541%0.41320%0.197SC..Hα-helixtrans-58.5-34.2175.259.20000112.6S200 G204 Q205 S206S200-S202 VanDerWaalsContact CB-OG 3.3Å; S200-S202 WeakPolarHBondContact CB-OG 3.46Å; S200-S202 PolarHBondContact O-N 3.45Å; S200-S202 PolarHBondContact OG-N 2.88Å; S200-S202 PolarHBondContact OG-OG 3.47Å; S202-G204 PolarHBondContact O-N 2.94Å; S202-Q205 WeakPolarHBondContact O-CB 3.31Å; S202-Q205 PolarHBondContact O-N 3.11Å; S202-S206 PolarHBondContact O-N 3.16Å; S202-S206 PolarHBondContact O-OG 3.22Å
203Y96.7Very high97.1Very high98 Ų9838.9 Ų38.938%0.38421%0.213SC..Hα-helixtrans-57.9-39.6174.8-72.5-81000111.6V199 S200 S201 Q205 S206 L207 F240 A272V199-Y203 HydrophobicContact CB-CD2 3.74Å; V199-Y203 HydrophobicContact CB-CE2 3.97Å; V199-Y203 HydrophobicContact CG2-CD2 3.84Å; V199-Y203 HydrophobicContact CG2-CG 4.28Å; S200-Y203 WeakPolarHBondContact O-CD2 3.24Å; S200-Y203 PolarHBondContact O-N 3.33Å; S201-Y203 PolarHBondContact O-N 3.44Å; Y203-Q205 VanDerWaalsContact C-N 3.34Å; Y203-Q205 PolarHBondContact O-N 3.48Å; Y203-S206 PolarHBondContact O-N 2.85Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 2.98Å; Y203-F240 AromaticContact CD1-CD1 3.85Å; Y203-F240 HydrophobicContact CD1-CD1 3.85Å; Y203-F240 HydrophobicContact CD1-CD2 4.46Å; Y203-F240 AromaticContact CD1-CE1 3.49Å; Y203-F240 HydrophobicContact CD1-CE1 3.49Å; Y203-F240 VanDerWaalsContact CD1-CE1 3.49Å; Y203-F240 HydrophobicContact CD1-CE2 4.15Å; Y203-F240 HydrophobicContact CD1-CG 4.33Å; Y203-F240 AromaticContact CD1-CZ 3.65Å; Y203-F240 HydrophobicContact CD1-CZ 3.65Å; Y203-F240 HydrophobicContact CE1-CD1 4.46Å; Y203-F240 AromaticContact CE1-CE1 3.79Å; Y203-F240 HydrophobicContact CE1-CE1 3.79Å; Y203-F240 HydrophobicContact CE1-CZ 4.05Å; Y203-F240 AromaticContact CG-CD1 3.99Å; Y203-F240 HydrophobicContact CG-CD1 3.99Å; Y203-F240 HydrophobicContact CG-CE1 4.1Å; Y203-F240 HydrophobicContact CG-CG 4.33Å; Y203-A272 HydrophobicContact CD1-CB 3.99Å
204G96.9Very high97.1Very high0 Ų038.4 Ų38.40%021%0.211CC..Hα-helixtrans-63.5-38.2175.400000113.3S194 S201 S202 V208S194-G204 WeakPolarHBondContact OG-CA 3.36Å; S194-G204 PolarHBondContact OG-O 3.3Å; S201-G204 PolarHBondContact O-N 3.39Å; S202-G204 PolarHBondContact O-N 2.94Å; G204-V208 WeakPolarHBondContact O-CG2 3.48Å; G204-V208 PolarHBondContact O-N 2.96Å
205Q97.7Very high97.1Very high113 Ų11338.4 Ų38.453%0.52821%0.211SC..Hα-helixtrans-69-40.5176.2-62.7-67.9-6.900111.9S201 S202 Y203 V208 S209 I226S201-Q205 PolarHBondContact O-N 2.84Å; S202-Q205 WeakPolarHBondContact O-CB 3.31Å; S202-Q205 PolarHBondContact O-N 3.11Å; Y203-Q205 VanDerWaalsContact C-N 3.34Å; Y203-Q205 PolarHBondContact O-N 3.48Å; Q205-V208 PolarHBondContact O-N 2.94Å; Q205-S209 PolarHBondContact O-N 3.08Å; Q205-I226 HydrophobicContact CG-CD1 4.22Å
206S98.1Very high97.1Very high50 Ų5042.3 Ų42.335%0.3523%0.232SC..Hα-helixtrans-64.5-42.3176.9-62.30000112.4S202 Y203 V208 S209 G210S202-S206 PolarHBondContact O-N 3.16Å; S202-S206 PolarHBondContact O-OG 3.22Å; Y203-S206 PolarHBondContact O-N 2.85Å; S206-V208 VanDerWaalsContact C-N 3.32Å; S206-V208 PolarHBondContact O-N 2.8Å; S206-S209 PolarHBondContact O-N 2.81Å; S206-G210 PolarHBondContact O-N 3.07Å
207L98.3Very high97.1Very high0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-55.1-48.6171.9-76.7171.5000111.2S194 Y203 G210 A211 F240 G241 L242 A272 I275 G276S194-L207 WeakPolarHBondContact OG-CD1 3.13Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 2.98Å; L207-G210 PolarHBondContact O-N 2.87Å; L207-A211 PolarHBondContact O-N 3.14Å; L207-F240 HydrophobicContact CD1-CB 4.34Å; L207-F240 HydrophobicContact CD1-CD2 3.93Å; L207-F240 HydrophobicContact CD2-CD2 4.09Å; L207-F240 HydrophobicContact CD2-CE2 4.38Å; L207-F240 HydrophobicContact CG-CD2 4.08Å; L207-G241 WeakPolarHBondContact CD1-O 3.44Å; L207-L242 HydrophobicContact CD1-CB 4.38Å; L207-L242 HydrophobicContact CD2-CB 4.28Å; L207-A272 WeakPolarHBondContact CA-O 3.31Å; L207-A272 WeakPolarHBondContact CD2-O 3.22Å; L207-A272 HydrophobicContact CG-CB 4.35Å; L207-I275 HydrophobicContact CD2-CB 3.85Å; L207-I275 HydrophobicContact CD2-CG2 3.58Å; L207-G276 WeakPolarHBondContact O-CA 3.32Å
208V98.3Very high97Very high13 Ų1355.8 Ų55.88%0.07929%0.293CS..Hα-helixtrans-61.7-45.11791620000111.5G204 Q205 S206 G210 A211 K212 F224 I226G204-V208 WeakPolarHBondContact O-CG2 3.48Å; G204-V208 PolarHBondContact O-N 2.96Å; Q205-V208 PolarHBondContact O-N 2.94Å; S206-V208 VanDerWaalsContact C-N 3.32Å; S206-V208 PolarHBondContact O-N 2.8Å; V208-G210 PolarHBondContact O-N 2.81Å; V208-A211 PolarHBondContact O-N 2.74Å; V208-K212 HydrophobicContact CG1-CD 4.19Å; V208-K212 HydrophobicContact CG1-CG 4.41Å; V208-K212 WeakPolarHBondContact O-CB 3.26Å; V208-K212 WeakPolarHBondContact O-CG 3.4Å; V208-K212 PolarHBondContact O-N 3.45Å; V208-F224 HydrophobicContact CB-CD2 4.32Å; V208-F224 HydrophobicContact CG1-CB 4.49Å; V208-F224 HydrophobicContact CG1-CD2 3.83Å; V208-F224 HydrophobicContact CG2-CB 3.72Å; V208-F224 HydrophobicContact CG2-CD2 4.09Å; V208-F224 HydrophobicContact CG2-CG 4.14Å; V208-I226 HydrophobicContact CG2-CD1 4.48Å; V208-I226 HydrophobicContact CG2-CG1 4.28Å
209S98.1Very high97Very high64 Ų6451.9 Ų51.945%0.44828%0.281SS..Hα-helixtrans-57.8-48.9176.4-172.50000111.3Q205 S206 A211 K212 S213Q205-S209 PolarHBondContact O-N 3.08Å; S206-S209 PolarHBondContact O-N 2.81Å; S209-A211 PolarHBondContact O-N 3.31Å; S209-K212 PolarHBondContact O-N 3.37Å; S209-S213 PolarHBondContact O-N 2.86Å
210G98Very high97Very high0 Ų055.9 Ų55.90%031%0.311CS..Hα-helixtrans-58.8-47.6178.500000112.7S206 L207 V208 S213 E273 K277S206-G210 PolarHBondContact O-N 3.07Å; L207-G210 PolarHBondContact O-N 2.87Å; V208-G210 PolarHBondContact O-N 2.81Å; G210-S213 PolarHBondContact O-N 3Å; G210-S213 PolarHBondContact O-OG 2.79Å; G210-E273 VanDerWaalsContact CA-CG 3.46Å; G210-E273 WeakPolarHBondContact CA-O 3.37Å; G210-K277 WeakPolarHBondContact O-CG 3.38Å
211A98.4Very high97.1Very high0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-66.4-42.7178.800000113L207 V208 S209 S213 V214 L215 F224 L242 L244 A280L207-A211 PolarHBondContact O-N 3.14Å; V208-A211 PolarHBondContact O-N 2.74Å; S209-A211 PolarHBondContact O-N 3.31Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 3.42Å; A211-V214 PolarHBondContact O-N 2.93Å; A211-L215 HydrophobicContact CB-CD1 4.39Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 2.95Å; A211-F224 HydrophobicContact CB-CE2 4.09Å; A211-F224 HydrophobicContact CB-CZ 4.1Å; A211-L242 HydrophobicContact CB-CD2 3.47Å; A211-L242 VanDerWaalsContact CB-CD2 3.47Å; A211-L244 HydrophobicContact CB-CD1 4.43Å; A211-A280 HydrophobicContact CB-CB 4.43Å
212K98.1Very high97.3Very high75 Ų7554 Ų5433%0.32629%0.291SS..Hα-helixtrans-61.8-37.2176.3-76.1-168.8174.7-178.90112.1V208 S209 V214 L215 N216 V222 F224V208-K212 HydrophobicContact CG1-CD 4.19Å; V208-K212 HydrophobicContact CG1-CG 4.41Å; V208-K212 WeakPolarHBondContact O-CB 3.26Å; V208-K212 WeakPolarHBondContact O-CG 3.4Å; V208-K212 PolarHBondContact O-N 3.45Å; S209-K212 PolarHBondContact O-N 3.37Å; K212-V214 PolarHBondContact O-N 3.48Å; K212-L215 PolarHBondContact O-N 2.86Å; K212-N216 WeakPolarHBondContact O-CB 3.43Å; K212-N216 VanDerWaalsContact O-CG 3.3Å; K212-N216 PolarHBondContact O-N 2.96Å; K212-V222 HydrophobicContact CG-CG1 4.44Å; K212-F224 HydrophobicContact CG-CD2 4.02Å; K212-F224 HydrophobicContact CG-CE2 3.59Å
213S97.8Very high97.4Very high51 Ų5157.5 Ų57.536%0.35730%0.297SS..Hα-helixtrans-57.5-30.9-18077.70000113S209 G210 A211 Q217 K277S209-S213 PolarHBondContact O-N 2.86Å; G210-S213 PolarHBondContact O-N 3Å; G210-S213 PolarHBondContact O-OG 2.79Å; A211-S213 VanDerWaalsContact C-N 3.3Å; A211-S213 PolarHBondContact O-N 3.42Å; S213-Q217 PolarHBondContact O-NE2 3.23Å; S213-K277 WeakPolarHBondContact OG-CE 3.17Å
214V98.1Very high97.4Very high10 Ų1053.6 Ų53.66%0.06128%0.282CS..Hα-helixtrans-91.8-50.5178.1-179.80000110.9A211 K212 N216 Q217 K277 A280 L284A211-V214 PolarHBondContact O-N 2.93Å; K212-V214 PolarHBondContact O-N 3.48Å; V214-N216 PolarHBondContact O-N 2.59Å; V214-Q217 WeakPolarHBondContact O-CB 3.36Å; V214-Q217 WeakPolarHBondContact O-CG 3.14Å; V214-Q217 PolarHBondContact O-N 2.72Å; V214-K277 HydrophobicContact CG2-CB 4.2Å; V214-K277 HydrophobicContact CG2-CG 3.97Å; V214-A280 HydrophobicContact CB-CB 3.85Å; V214-A280 HydrophobicContact CG1-CB 4.03Å; V214-A280 HydrophobicContact CG2-CB 4.41Å; V214-L284 HydrophobicContact CG1-CD1 3.78Å
215L97.9Very high97.4Very high1 Ų157 Ų571%0.00530%0.302CS..Hα-helixtrans-70.7-34-170.3-66.9167.5000113.7V190 A211 K212 Q217 F218 L219 V222 F224 L244 A280 L283 L284V190-L215 HydrophobicContact CG1-CD1 4.01Å; A211-L215 HydrophobicContact CB-CD1 4.39Å; A211-L215 WeakPolarHBondContact O-CB 3.37Å; A211-L215 WeakPolarHBondContact O-CG 3.39Å; A211-L215 PolarHBondContact O-N 2.95Å; K212-L215 PolarHBondContact O-N 2.86Å; L215-Q217 PolarHBondContact O-N 3.26Å; L215-Q217 VanDerWaalsContact O-N 3.1Å; L215-F218 PolarHBondContact O-N 2.98Å; L215-L219 PolarHBondContact O-N 3.36Å; L215-V222 HydrophobicContact CB-CG1 4.29Å; L215-V222 HydrophobicContact CB-CG2 4.04Å; L215-V222 HydrophobicContact CD1-CG1 4.16Å; L215-F224 HydrophobicContact CD1-CZ 3.78Å; L215-L244 HydrophobicContact CD1-CD1 4.18Å; L215-A280 HydrophobicContact CD1-CB 4.15Å; L215-A280 HydrophobicContact CD2-CB 4.15Å; L215-A280 HydrophobicContact CG-CB 3.82Å; L215-L283 HydrophobicContact CD2-CD2 4.26Å; L215-L284 HydrophobicContact CD2-CD2 4.46Å; L215-L284 HydrophobicContact CD2-CG 4.5Å
216N97.3Very high97.4Very high84 Ų8454.4 Ų54.445%0.44929%0.292SS..THydrogen-bonded Turntrans-65.8-13.8-179.6-73.2-7.7000113.3K212 V214 F218 L219K212-N216 WeakPolarHBondContact O-CB 3.43Å; K212-N216 VanDerWaalsContact O-CG 3.3Å; K212-N216 PolarHBondContact O-N 2.96Å; V214-N216 PolarHBondContact O-N 2.59Å; N216-F218 VanDerWaalsContact C-N 3.26Å; N216-L219 WeakPolarHBondContact CA-O 3.47Å
217Q96.4Very high97.4Very high149 Ų14953.2 Ų53.270%0.69628%0.282SS*.THydrogen-bonded Turntrans-71.6-23.1173.7-56.4178.530.900112.1S213 V214 L215S213-Q217 PolarHBondContact O-NE2 3.23Å; V214-Q217 WeakPolarHBondContact O-CB 3.36Å; V214-Q217 WeakPolarHBondContact O-CG 3.14Å; V214-Q217 PolarHBondContact O-N 2.72Å; L215-Q217 PolarHBondContact O-N 3.26Å; L215-Q217 VanDerWaalsContact O-N 3.1Å
218F95Very high97.3Very high135 Ų13555.7 Ų55.759%0.59229%0.293SS*.THydrogen-bonded Turntrans-108.2-34.4-175.8-60.4-83.7000113.1L215 N216 L284L215-F218 PolarHBondContact O-N 2.98Å; N216-F218 VanDerWaalsContact C-N 3.26Å; F218-L284 HydrophobicContact CD2-CD1 4.2Å; F218-L284 HydrophobicContact CD2-CD2 4.11Å; F218-L284 HydrophobicContact CE2-CD1 3.65Å; F218-L284 HydrophobicContact CE2-CD2 4.23Å; F218-L284 HydrophobicContact CG-CD2 4.46Å; F218-L284 HydrophobicContact CZ-CD1 4.22Å
219L94.8Very high97.2Very high36 Ų3658.5 Ų58.519%0.18830%0.302CS..  trans-153.5147.9178.165.4117.7000112V187 V190 L215 N216 D221 V222V187-L219 HydrophobicContact CG1-CD2 4.4Å; V190-L219 HydrophobicContact CB-CD1 4.26Å; V190-L219 HydrophobicContact CG2-CD1 3.95Å; V190-L219 HydrophobicContact CG2-CD2 3.76Å; V190-L219 HydrophobicContact CG2-CG 4.39Å; L215-L219 PolarHBondContact O-N 3.36Å; N216-L219 WeakPolarHBondContact CA-O 3.47Å; L219-D221 VanDerWaalsContact CD1-O 3.3Å; L219-D221 WeakPolarHBondContact CD1-O 3.38Å; L219-V222 HydrophobicContact CD1-CG2 3.57Å; L219-V222 HydrophobicContact CG-CG2 3.93Å; L219-V222 WeakPolarHBondContact O-CG2 3.43Å
220S95.2Very high97Very high117 Ų11762.3 Ų62.382%0.81831%0.311SS*.SBendtrans-88-27.8-177.854.10000114.3V222S220-V222 VanDerWaalsContact C-N 3.25Å; S220-V222 PolarHBondContact O-N 3.34Å
221D97.6Very high96.7Very high65 Ų6564.9 Ų64.935%0.34834%0.337SS..  trans-79.770.8179.7-171-2.3000111.7R189 V190 R191 L219R189-D221 WeakPolarHBondContact CA-O 3.43Å; R189-D221 HydrophobicContact CB-CB 4.06Å; R189-D221 WeakPolarHBondContact CB-OD2 3.29Å; V190-D221 PolarHBondContact N-O 3.2Å; R191-D221 IonicContact CZ-OD1 3.95Å; R191-D221 VanDerWaalsContact CZ-OD1 3.26Å; R191-D221 PolarHBondContact NH1-O 2.61Å; R191-D221 IonicContact NH1-OD1 3.39Å; R191-D221 PolarHBondContact NH1-OD1 3.37Å; R191-D221 IonicContact NH2-OD1 3.74Å; R191-D221 PolarHBondContact NH2-OD1 3.5Å; R191-D221 IonicContact NH2-OD2 2.73Å; R191-D221 PolarHBondContact NH2-OD2 3.08Å; L219-D221 VanDerWaalsContact CD1-O 3.3Å; L219-D221 WeakPolarHBondContact CD1-O 3.38Å
222V98Very high96.4Very high13 Ų1371.5 Ų71.58%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-118114.3178.8-176.90000109.4V190 K212 L215 L219 S220 F224V190-V222 HydrophobicContact CB-CG1 4.44Å; V190-V222 HydrophobicContact CB-CG2 4.32Å; V190-V222 WeakPolarHBondContact O-CA 3.5Å; K212-V222 HydrophobicContact CG-CG1 4.44Å; L215-V222 HydrophobicContact CB-CG1 4.29Å; L215-V222 HydrophobicContact CB-CG2 4.04Å; L215-V222 HydrophobicContact CD1-CG1 4.16Å; L219-V222 HydrophobicContact CD1-CG2 3.57Å; L219-V222 HydrophobicContact CG-CG2 3.93Å; L219-V222 WeakPolarHBondContact O-CG2 3.43Å; S220-V222 VanDerWaalsContact C-N 3.25Å; S220-V222 PolarHBondContact O-N 3.34Å; V222-F224 HydrophobicContact CG1-CD2 4.35Å; V222-F224 HydrophobicContact CG1-CE1 4.04Å; V222-F224 HydrophobicContact CG1-CE2 3.43Å; V222-F224 VanDerWaalsContact CG1-CE2 3.43Å; V222-F224 HydrophobicContact CG1-CZ 3.24Å
223Y97.8Very high96.4Very high134 Ų13473.2 Ų73.253%0.52537%0.373SS..EExtended strand (participates in β ladder)trans-130.8136.5-178.2-179.2-92000112.4V190 R191 G192V190-Y223 PolarHBondContact O-N 3.21Å; R191-Y223 CarbonylContact C-O 3.3Å; R191-Y223 VanDerWaalsContact CA-O 3.25Å; R191-Y223 WeakPolarHBondContact CA-O 3.28Å; G192-Y223 PolarHBondContact N-O 3.3Å
224F97.7Very high96.2Very high15 Ų1570.8 Ų70.87%0.06636%0.356CS..EExtended strand (participates in β ladder)trans-126.6132.6-178.9-58-55.4000111.3V190 G192 V208 A211 K212 L215 V222 L244V190-F224 HydrophobicContact CG1-CE1 4.39Å; G192-F224 CarbonylContact O-C 3.3Å; G192-F224 WeakPolarHBondContact O-CA 3.44Å; V208-F224 HydrophobicContact CB-CD2 4.32Å; V208-F224 HydrophobicContact CG1-CB 4.49Å; V208-F224 HydrophobicContact CG1-CD2 3.83Å; V208-F224 HydrophobicContact CG2-CB 3.72Å; V208-F224 HydrophobicContact CG2-CD2 4.09Å; V208-F224 HydrophobicContact CG2-CG 4.14Å; A211-F224 HydrophobicContact CB-CE2 4.09Å; A211-F224 HydrophobicContact CB-CZ 4.1Å; K212-F224 HydrophobicContact CG-CD2 4.02Å; K212-F224 HydrophobicContact CG-CE2 3.59Å; L215-F224 HydrophobicContact CD1-CZ 3.78Å; V222-F224 HydrophobicContact CG1-CD2 4.35Å; V222-F224 HydrophobicContact CG1-CE1 4.04Å; V222-F224 HydrophobicContact CG1-CE2 3.43Å; V222-F224 VanDerWaalsContact CG1-CE2 3.43Å; V222-F224 HydrophobicContact CG1-CZ 3.24Å; F224-L244 HydrophobicContact CD1-CD2 3.78Å; F224-L244 HydrophobicContact CE1-CD2 3.2Å; F224-L244 HydrophobicContact CZ-CD2 3.88Å
225T97.8Very high95.9Very high71 Ų7170.8 Ų70.844%0.43636%0.358SS..EExtended strand (participates in β ladder)trans-89.6133.9169.4-57.50000108.9G192 I193 S194G192-T225 PolarHBondContact O-N 2.96Å; I193-T225 CarbonylContact C-O 3.59Å; I193-T225 WeakPolarHBondContact CA-O 3.44Å; S194-T225 PolarHBondContact N-O 2.94Å
226I97.4Very high95.7Very high59 Ų5978 Ų7830%0.30339%0.389SS..EExtended strand (participates in β ladder)trans-97.8119.5175.8-63.2174000108.9S194 Q205 V208S194-I226 CarbonylContact O-C 3.56Å; S194-I226 WeakPolarHBondContact O-CA 3.38Å; Q205-I226 HydrophobicContact CG-CD1 4.22Å; V208-I226 HydrophobicContact CG2-CD1 4.48Å; V208-I226 HydrophobicContact CG2-CG1 4.28Å
227D96.8Very high95.6Very high26 Ų2674.2 Ų74.214%0.13937%0.37CS..EExtended strand (participates in β ladder)trans-111.386.2179.3-172.710.6000110.7R156 I193 S194 W195 S196 R229R156-D227 IonicContact CZ-OD2 3.67Å; R156-D227 VanDerWaalsContact CZ-OD2 3.29Å; R156-D227 IonicContact NE-OD2 2.75Å; R156-D227 PolarHBondContact NE-OD2 3.33Å; R156-D227 IonicContact NH2-OD2 2.72Å; R156-D227 PolarHBondContact NH2-OD2 3.14Å; I193-D227 HydrophobicContact CG2-CB 3.87Å; S194-D227 PolarHBondContact O-N 3.46Å; W195-D227 CarbonylContact C-O 3.45Å; W195-D227 WeakPolarHBondContact CA-O 3.46Å; W195-D227 HydrophobicContact CB-CB 4.26Å; S196-D227 PolarHBondContact N-O 3.32Å; D227-R229 IonicContact OD1-CZ 2.68Å; D227-R229 VanDerWaalsContact OD1-CZ 3.3Å; D227-R229 IonicContact OD1-NE 3.07Å; D227-R229 PolarHBondContact OD1-NE 2.73Å; D227-R229 IonicContact OD1-NH2 3.12Å; D227-R229 PolarHBondContact OD1-NH2 3.4Å; D227-R229 VanDerWaalsContact OD1-NH2 3.12Å; D227-R229 IonicContact OD2-NE 3.32Å; D227-R229 IonicContact OD2-NH2 3.47Å; D227-R229 PolarHBondContact OD2-NH2 3.27Å
228H97.5Very high95.5Very high51 Ų5169 Ų6924%0.23635%0.349CS..EExtended strand (participates in β ladder)trans-96.8122.3179.7-178.955.4000111.3S196 V199 K230S196-H228 PolarHBondContact O-ND1 3.31Å; S196-H228 PolarHBondContact OG-ND1 2.82Å; V199-H228 PolarHBondContact O-CE1 2.92Å; H228-K230 WeakPolarHBondContact NE2-CE 3.42Å; H228-K230 VanDerWaalsContact NE2-CG 3.3Å; H228-K230 WeakPolarHBondContact NE2-CG 3.44Å
229R96Very high95.5Very high72 Ų7262.7 Ų62.727%0.27232%0.322SS..EExtended strand (participates in β ladder)trans-115.5138.3-178.4-58.9-65.5174.8149.22.5111.5R156 S196 D227 A234R156-R229 HydrophobicContact CB-CG 4.46Å; R156-R229 HydrophobicContact CG-CG 4.36Å; S196-R229 PolarHBondContact O-N 2.96Å; D227-R229 IonicContact OD1-CZ 2.68Å; D227-R229 VanDerWaalsContact OD1-CZ 3.3Å; D227-R229 IonicContact OD1-NE 3.07Å; D227-R229 PolarHBondContact OD1-NE 2.73Å; D227-R229 IonicContact OD1-NH2 3.12Å; D227-R229 PolarHBondContact OD1-NH2 3.4Å; D227-R229 VanDerWaalsContact OD1-NH2 3.12Å; D227-R229 IonicContact OD2-NE 3.32Å; D227-R229 IonicContact OD2-NH2 3.47Å; D227-R229 PolarHBondContact OD2-NH2 3.27Å; R229-A234 HydrophobicContact CB-CB 3.95Å; R229-A234 VanDerWaalsContact O-CB 3.28Å; R229-A234 WeakPolarHBondContact O-CB 3.27Å
230K93.5Very high95.6Very high145 Ų14561.9 Ų61.963%0.6332%0.317SS*.  trans-130163.7176.2-62-171.9-176.4-176.90112.2H228 Q232 Y233H228-K230 WeakPolarHBondContact NE2-CE 3.42Å; H228-K230 VanDerWaalsContact NE2-CG 3.3Å; H228-K230 WeakPolarHBondContact NE2-CG 3.44Å; K230-Q232 PolarHBondContact O-N 3.16Å; K230-Y233 PolarHBondContact O-N 3.39Å
231G92.2Very high95.7Very high53 Ų5356.3 Ų56.355%0.54628%0.278SS..G310 helixtrans58.2-132.4172.500000112.5Y233 A234G231-Y233 PolarHBondContact O-N 2.84Å; G231-Y233 VanDerWaalsContact O-N 3.14Å; G231-A234 PolarHBondContact O-N 3.12Å
232Q92.5Very high95.7Very high140 Ų14053.2 Ų53.265%0.65426%0.261SS*.G310 helixtrans-63.7-16.4-178.370.3-175.725.200114.7K155 K230K155-Q232 WeakPolarHBondContact CD-O 3.46Å; K230-Q232 PolarHBondContact O-N 3.16Å
233Y96.3Very high95.7Very high111 Ų11152.7 Ų52.744%0.43526%0.258SS..G310 helixtrans-92-1.2-179.9-59.1-74.5000113.7K155 R156 K230 G231K155-Y233 HydrophobicContact CG-CD1 4.24Å; R156-Y233 PolarHBondContact N-O 3.05Å; R156-Y233 VanDerWaalsContact N-O 3.13Å; K230-Y233 PolarHBondContact O-N 3.39Å; G231-Y233 PolarHBondContact O-N 2.84Å; G231-Y233 VanDerWaalsContact O-N 3.14Å
234A93.5Very high95.7Very high0 Ų046.3 Ų46.30%023%0.233CC..SBendtrans-120.642.3-170.500000113.5R156 C197 R198 R229 G231R156-A234 CarbonylContact O-C 3.59Å; R156-A234 VanDerWaalsContact O-C 3.3Å; C197-A234 HydrophobicContact CB-CB 4.25Å; R198-A234 HydrophobicContact CG-CB 4.25Å; R198-A234 PolarHBondContact NH1-O 3.27Å; R229-A234 HydrophobicContact CB-CB 3.95Å; R229-A234 VanDerWaalsContact O-CB 3.28Å; R229-A234 WeakPolarHBondContact O-CB 3.27Å; G231-A234 PolarHBondContact O-N 3.12Å
235G92.3Very high95.8Very high10 Ų1046.4 Ų46.410%0.10323%0.233CC..  trans59.6-145.3165.400000114.8R156 G162 R198R156-G235 WeakPolarHBondContact O-CA 3.23Å; R156-G235 PolarHBondContact O-N 2.99Å; G162-G235 CarbonylContact O-C 3.53Å; G162-G235 VanDerWaalsContact O-C 3.3Å; G162-G235 WeakPolarHBondContact O-CA 3.33Å; R198-G235 PolarHBondContact NH1-O 3.49Å; R198-G235 PolarHBondContact NH2-O 3.09Å
236K94.6Very high95.8Very high152 Ų15243 Ų4366%0.66121%0.212SC*.SBendtrans-121.7-18.6174.2-67-179.6-176.31730115.2G162 R198G162-K236 PolarHBondContact O-N 2.83Å; R198-K236 PolarHBondContact NH1-O 3.3Å
237S94.8Very high95.8Very high5 Ų541.9 Ų41.94%0.03521%0.205CC..SBendtrans-116.8152177.9-68.10000113P160 G161 E263P160-S237 WeakPolarHBondContact CD-OG 3.38Å; G161-S237 WeakPolarHBondContact CA-OG 3.14Å; G161-S237 PolarHBondContact N-OG 3.41Å; S237-E263 PolarHBondContact OG-OE2 3.43Å
238P94.7Very high95.7Very high39 Ų3940.9 Ų40.925%0.25320%0.2SC..  trans-74.2153.1171.633.1-32.8000111.8C197 R198 V199 E263C197-P238 WeakPolarHBondContact O-CA 3.26Å; R198-P238 HydrophobicContact CB-CB 4.06Å; V199-P238 HydrophobicContact CG1-CB 3.84Å; P238-E263 WeakPolarHBondContact CD-OE2 3.08Å; P238-E263 HydrophobicContact CG-CB 4.45Å
239G95.3Very high95.4Very high3 Ų347.1 Ų47.13%0.03123%0.226CC..EExtended strand (participates in β ladder)trans169.316317200000112.6C197C197-G239 PolarHBondContact N-O 3.43Å; C197-G239 PolarHBondContact O-N 2.94Å
240F96.4Very high95.2Very high19 Ų1945.9 Ų45.98%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-146.6156.5177.856.8-89.1000109.9W195 V199 Y203 L207 M259 S260 A272 I275W195-F240 VanDerWaalsContact CZ3-C 3.43Å; W195-F240 VanDerWaalsContact CZ3-CA 3.47Å; W195-F240 VanDerWaalsContact O-CA 3.3Å; W195-F240 WeakPolarHBondContact O-CA 3.37Å; W195-F240 WeakPolarHBondContact O-CB 3.48Å; V199-F240 HydrophobicContact CG2-CB 4.22Å; V199-F240 HydrophobicContact CG2-CD1 4.16Å; Y203-F240 AromaticContact CD1-CD1 3.85Å; Y203-F240 HydrophobicContact CD1-CD1 3.85Å; Y203-F240 HydrophobicContact CD1-CD2 4.46Å; Y203-F240 AromaticContact CD1-CE1 3.49Å; Y203-F240 HydrophobicContact CD1-CE1 3.49Å; Y203-F240 VanDerWaalsContact CD1-CE1 3.49Å; Y203-F240 HydrophobicContact CD1-CE2 4.15Å; Y203-F240 HydrophobicContact CD1-CG 4.33Å; Y203-F240 AromaticContact CD1-CZ 3.65Å; Y203-F240 HydrophobicContact CD1-CZ 3.65Å; Y203-F240 HydrophobicContact CE1-CD1 4.46Å; Y203-F240 AromaticContact CE1-CE1 3.79Å; Y203-F240 HydrophobicContact CE1-CE1 3.79Å; Y203-F240 HydrophobicContact CE1-CZ 4.05Å; Y203-F240 AromaticContact CG-CD1 3.99Å; Y203-F240 HydrophobicContact CG-CD1 3.99Å; Y203-F240 HydrophobicContact CG-CE1 4.1Å; Y203-F240 HydrophobicContact CG-CG 4.33Å; L207-F240 HydrophobicContact CD1-CB 4.34Å; L207-F240 HydrophobicContact CD1-CD2 3.93Å; L207-F240 HydrophobicContact CD2-CD2 4.09Å; L207-F240 HydrophobicContact CD2-CE2 4.38Å; L207-F240 HydrophobicContact CG-CD2 4.08Å; F240-M259 CarbonylContact O-C 3.54Å; F240-M259 WeakPolarHBondContact O-CA 3.33Å; F240-S260 PolarHBondContact N-OG 3.21Å; F240-S260 VanDerWaalsContact N-OG 3.14Å; F240-S260 PolarHBondContact O-N 3.13Å; F240-S260 PolarHBondContact O-OG 2.74Å; F240-A272 HydrophobicContact CD2-CB 4.3Å; F240-A272 HydrophobicContact CE2-CB 3.63Å; F240-A272 HydrophobicContact CZ-CB 4.16Å; F240-I275 HydrophobicContact CE2-CD1 3.57Å; F240-I275 HydrophobicContact CZ-CD1 3.98Å
241G97.2Very high95.2Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-172.7173.7179.800000112.5W195 L207 A258W195-G241 PolarHBondContact N-O 3.29Å; W195-G241 PolarHBondContact O-N 3.27Å; L207-G241 WeakPolarHBondContact CD1-O 3.44Å; G241-A258 CarbonylContact C-O 3.52Å; G241-A258 VanDerWaalsContact CA-O 3.3Å; G241-A258 WeakPolarHBondContact CA-O 3.44Å
242L98.1Very high95.3Very high0 Ų038.3 Ų38.30%019%0.189CC..EExtended strand (participates in β ladder)trans-134.2121.5-173.6-17863.4000108.8L207 A211 L244 E257 A258 A279L207-L242 HydrophobicContact CD1-CB 4.38Å; L207-L242 HydrophobicContact CD2-CB 4.28Å; A211-L242 HydrophobicContact CB-CD2 3.47Å; A211-L242 VanDerWaalsContact CB-CD2 3.47Å; L242-L244 HydrophobicContact CD1-CD2 3.65Å; L242-L244 HydrophobicContact CD1-CG 4.46Å; L242-L244 HydrophobicContact CD2-CD1 4.08Å; L242-L244 HydrophobicContact CD2-CD2 3.76Å; L242-L244 HydrophobicContact CD2-CG 4.04Å; L242-L244 HydrophobicContact CG-CD1 4.4Å; L242-L244 HydrophobicContact CG-CD2 3.53Å; L242-L244 HydrophobicContact CG-CG 3.83Å; L242-E257 VanDerWaalsContact O-CA 3.25Å; L242-E257 WeakPolarHBondContact O-CA 3.4Å; L242-E257 WeakPolarHBondContact O-CB 3.21Å; L242-A258 PolarHBondContact N-O 2.96Å; L242-A258 PolarHBondContact O-N 3.45Å; L242-A279 HydrophobicContact CB-CB 4.35Å; L242-A279 HydrophobicContact CD2-CB 4.06Å; L242-A279 HydrophobicContact CG-CB 4.35Å
243T98.1Very high95.5Very high1 Ų132.4 Ų32.41%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-108.2124.4170.9-57.60000108.1S125 D127 M128 G192 I193 E257S125-T243 PolarHBondContact OG-OG1 2.64Å; D127-T243 HydrophobicContact CB-CG2 3.89Å; M128-T243 HydrophobicContact CB-CG2 4.13Å; G192-T243 CarbonylContact C-O 3.49Å; G192-T243 WeakPolarHBondContact CA-O 3.47Å; I193-T243 PolarHBondContact N-O 3.28Å; I193-T243 PolarHBondContact O-N 2.95Å; T243-E257 HydrophobicContact CG2-CB 4.37Å; T243-E257 PolarHBondContact OG1-OE2 2.87Å
244L98.1Very high95.6Very high0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-118.5146.2-175.1-58.2-177.4000110.4A211 L215 F224 L242 S255 A256 A279 A280 L283A211-L244 HydrophobicContact CB-CD1 4.43Å; L215-L244 HydrophobicContact CD1-CD1 4.18Å; F224-L244 HydrophobicContact CD1-CD2 3.78Å; F224-L244 HydrophobicContact CE1-CD2 3.2Å; F224-L244 HydrophobicContact CZ-CD2 3.88Å; L242-L244 HydrophobicContact CD1-CD2 3.65Å; L242-L244 HydrophobicContact CD1-CG 4.46Å; L242-L244 HydrophobicContact CD2-CD1 4.08Å; L242-L244 HydrophobicContact CD2-CD2 3.76Å; L242-L244 HydrophobicContact CD2-CG 4.04Å; L242-L244 HydrophobicContact CG-CD1 4.4Å; L242-L244 HydrophobicContact CG-CD2 3.53Å; L242-L244 HydrophobicContact CG-CG 3.83Å; L244-S255 CarbonylContact O-C 3.56Å; L244-S255 WeakPolarHBondContact O-CA 3.42Å; L244-S255 WeakPolarHBondContact O-CB 3.25Å; L244-A256 PolarHBondContact N-O 2.95Å; L244-A256 PolarHBondContact O-N 3.36Å; L244-A279 HydrophobicContact CD1-CB 3.85Å; L244-A279 HydrophobicContact CG-CB 4.33Å; L244-A280 HydrophobicContact CD1-CB 4.49Å; L244-L283 HydrophobicContact CB-CD2 3.98Å; L244-L283 HydrophobicContact CD1-CD2 4.43Å
245W98.2Very high95.8Very high17 Ų1727.5 Ų27.56%0.06414%0.143CC..EExtended strand (participates in β ladder)trans-142.6140.5167.866.297.1000112.3H131 R191 G192 I193 E247 V253 Y254H131-W245 HydrophobicContact CB-CD2 3.56Å; H131-W245 HydrophobicContact CB-CE3 3.74Å; H131-W245 HydrophobicContact CB-CG 3.94Å; H131-W245 HydrophobicContact CB-CH2 4.41Å; H131-W245 HydrophobicContact CB-CZ2 4.27Å; H131-W245 HydrophobicContact CB-CZ3 4.15Å; H131-W245 AromaticContact CD2-CE3 3.92Å; H131-W245 AromaticContact CD2-CH2 3.45Å; H131-W245 VanDerWaalsContact CD2-CH2 3.45Å; H131-W245 WeakPolarHBondContact CD2-CH2 3.06Å; H131-W245 AromaticContact CD2-CZ2 3.97Å; H131-W245 AromaticContact CD2-CZ3 3.41Å; H131-W245 VanDerWaalsContact CD2-CZ3 3.41Å; H131-W245 WeakPolarHBondContact CD2-CZ3 3.46Å; H131-W245 AromaticContact CE1-CH2 3.58Å; H131-W245 AromaticContact CE1-CZ2 3.6Å; H131-W245 AromaticContact CG-CD2 3.83Å; H131-W245 AromaticContact CG-CE2 3.7Å; H131-W245 AromaticContact CG-CE3 3.8Å; H131-W245 AromaticContact CG-CH2 3.6Å; H131-W245 AromaticContact CG-CZ2 3.63Å; H131-W245 AromaticContact CG-CZ3 3.68Å; H131-W245 AromaticContact ND1-CE2 3.7Å; H131-W245 AromaticContact ND1-CH2 3.68Å; H131-W245 AromaticContact ND1-CZ2 3.38Å; H131-W245 WeakPolarHBondContact ND1-CZ2 3.25Å; H131-W245 AromaticContact NE2-CH2 3.45Å; H131-W245 WeakPolarHBondContact NE2-CH2 3.33Å; H131-W245 AromaticContact NE2-CZ2 3.96Å; H131-W245 AromaticContact NE2-CZ3 3.89Å; R191-W245 HydrophobicContact CB-CD2 4.07Å; R191-W245 HydrophobicContact CB-CH2 4.19Å; R191-W245 HydrophobicContact CB-CZ2 3.43Å; R191-W245 VanDerWaalsContact CB-CZ2 3.43Å; R191-W245 HydrophobicContact CG-CZ2 4.42Å; R191-W245 PolarHBondContact N-O 3.03Å; R191-W245 PolarHBondContact O-N 3.24Å; R191-W245 VanDerWaalsContact O-O 3.12Å; G192-W245 VanDerWaalsContact CA-CZ3 3.45Å; I193-W245 HydrophobicContact CD1-CH2 4Å; I193-W245 HydrophobicContact CD1-CZ3 4.11Å; I193-W245 HydrophobicContact CG1-CH2 3.86Å; I193-W245 HydrophobicContact CG1-CZ3 3.92Å; W245-E247 PolarHBondContact NE1-OE1 2.92Å; W245-V253 HydrophobicContact CB-CG1 3.87Å; W245-V253 HydrophobicContact CG-CG1 4.37Å; W245-Y254 CarbonylContact C-O 3.59Å; W245-Y254 WeakPolarHBondContact CA-O 3.47Å; W245-Y254 WeakPolarHBondContact CB-O 3.39Å
246A98Very high96Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-103126.4177.800000109V187 V190 V253 Y254 L283 I287V187-A246 HydrophobicContact CG1-CB 3.79Å; V187-A246 HydrophobicContact CG2-CB 4.01Å; V190-A246 HydrophobicContact CG2-CB 4.1Å; A246-V253 WeakPolarHBondContact O-CA 3.2Å; A246-Y254 HydrophobicContact CB-CD2 4.36Å; A246-Y254 PolarHBondContact N-O 2.96Å; A246-Y254 PolarHBondContact O-N 2.91Å; A246-L283 HydrophobicContact CB-CD1 4.12Å; A246-L283 HydrophobicContact CB-CD2 4.24Å; A246-L283 HydrophobicContact CB-CG 4.4Å; A246-I287 HydrophobicContact CB-CD1 3.91Å; A246-I287 HydrophobicContact CB-CG1 4.29Å
247E97.2Very high96.1Very high35 Ų3521.8 Ų21.816%0.16412%0.117CC..EExtended strand (participates in β ladder)trans-104.8142.8-177.2-63.3-177.5-165.600111.4V187 Y188 R189 W245V187-E247 WeakPolarHBondContact CA-O 3.42Å; Y188-E247 WeakPolarHBondContact CD1-O 3.42Å; Y188-E247 HydrophobicContact CE1-CB 3.74Å; Y188-E247 WeakPolarHBondContact CE1-O 3.43Å; Y188-E247 PolarHBondContact N-O 2.94Å; Y188-E247 PolarHBondContact OH-OE2 3.12Å; R189-E247 HydrophobicContact CG-CB 4.01Å; R189-E247 IonicContact CZ-OE2 2.86Å; R189-E247 IonicContact NE-OE2 3.29Å; R189-E247 PolarHBondContact NE-OE2 3.14Å; R189-E247 IonicContact NH2-OE1 2.73Å; R189-E247 IonicContact NH2-OE2 2.97Å; R189-E247 PolarHBondContact NH2-OE2 3.1Å; R189-E247 PolarHBondContact O-N 3.48Å; W245-E247 PolarHBondContact NE1-OE1 2.92Å
248R94.8Very high96.2Very high5 Ų521.9 Ų21.92%0.01912%0.118CC..EExtended strand (participates in β ladder)trans-117.9153.4179.2-58.6168.555.6-136.4-43.3110.4D183 G185 V187 D250 G251 G252 Y254 G291D183-R248 PolarHBondContact O-NH2 3.22Å; D183-R248 VanDerWaalsContact O-NH2 3.09Å; G185-R248 PolarHBondContact O-NE 2.91Å; V187-R248 HydrophobicContact CG2-CG 3.87Å; R248-D250 WeakPolarHBondContact CB-OD1 3.44Å; R248-D250 IonicContact CZ-OD1 3.18Å; R248-D250 IonicContact CZ-OD2 2.75Å; R248-D250 IonicContact NE-OD1 3.83Å; R248-D250 IonicContact NH2-OD1 2.75Å; R248-D250 PolarHBondContact NH2-OD1 3.26Å; R248-D250 IonicContact NH2-OD2 2.82Å; R248-D250 PolarHBondContact NH2-OD2 2.96Å; R248-D250 PolarHBondContact O-N 2.91Å; R248-G251 PolarHBondContact O-N 2.93Å; R248-G251 VanDerWaalsContact O-N 3.09Å; R248-G252 WeakPolarHBondContact CB-O 3.49Å; R248-G252 PolarHBondContact N-O 3.11Å; R248-Y254 HydrophobicContact CG-CE2 4.47Å; R248-G291 PolarHBondContact NH1-O 2.8Å
249K92.6Very high96.3Very high182 Ų18221.3 Ų21.379%0.79111%0.112SC*.THydrogen-bonded Turntrans-65.6-27.3-174.2-72-173.2176.4-1790113.6Y188 G251Y188-K249 HydrophobicContact CD1-CG 3.9Å; Y188-K249 HydrophobicContact CG-CG 4.16Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 3.21Å
250D91.3Very high96.3Very high46 Ų4621.8 Ų21.825%0.24612%0.115CC..THydrogen-bonded Turntrans-841.7177.463.5-54.3000113.5R248 F292R248-D250 WeakPolarHBondContact CB-OD1 3.44Å; R248-D250 IonicContact CZ-OD1 3.18Å; R248-D250 IonicContact CZ-OD2 2.75Å; R248-D250 IonicContact NE-OD1 3.83Å; R248-D250 IonicContact NH2-OD1 2.75Å; R248-D250 PolarHBondContact NH2-OD1 3.26Å; R248-D250 IonicContact NH2-OD2 2.82Å; R248-D250 PolarHBondContact NH2-OD2 2.96Å; R248-D250 PolarHBondContact O-N 2.91Å; D250-F292 VanDerWaalsContact OD2-CD2 3.29Å; D250-F292 WeakPolarHBondContact OD2-CD2 3.41Å; D250-F292 WeakPolarHBondContact OD2-CE2 3.38Å
251G92.6Very high96.1Very high40 Ų4023.9 Ų23.941%0.41213%0.125SC..SBendtrans91.91.5177.300000114.8R248 K249 F292R248-G251 PolarHBondContact O-N 2.93Å; R248-G251 VanDerWaalsContact O-N 3.09Å; K249-G251 VanDerWaalsContact C-N 3.25Å; K249-G251 PolarHBondContact O-N 3.21Å; G251-F292 VanDerWaalsContact C-CZ 3.45Å
252G95Very high95.8Very high0 Ų024.6 Ų24.60%013%0.13CC..  trans-66.3143.517200000111.4R248 F292R248-G252 WeakPolarHBondContact CB-O 3.49Å; R248-G252 PolarHBondContact N-O 3.11Å; G252-F292 VanDerWaalsContact CA-O 3.29Å; G252-F292 WeakPolarHBondContact CA-O 3.08Å; G252-F292 VanDerWaalsContact N-CE2 3.35Å; G252-F292 VanDerWaalsContact N-CZ 3.29Å
253V96.8Very high95.3Very high15 Ų1530 Ų309%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-134.6131.4-179.6-176.70000109.4P135 W245 A246 F292P135-V253 HydrophobicContact CB-CG2 4.37Å; P135-V253 HydrophobicContact CG-CG2 4.19Å; W245-V253 HydrophobicContact CB-CG1 3.87Å; W245-V253 HydrophobicContact CG-CG1 4.37Å; A246-V253 WeakPolarHBondContact O-CA 3.2Å; V253-F292 PolarHBondContact N-O 3.05Å
254Y97.2Very high94.7Very high6 Ų633.7 Ų33.72%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-107.2146.5165.1-52-68.8000109.3V187 W245 A246 R248 I287 G291V187-Y254 HydrophobicContact CG2-CD2 4.13Å; V187-Y254 HydrophobicContact CG2-CE2 4.12Å; W245-Y254 CarbonylContact C-O 3.59Å; W245-Y254 WeakPolarHBondContact CA-O 3.47Å; W245-Y254 WeakPolarHBondContact CB-O 3.39Å; A246-Y254 HydrophobicContact CB-CD2 4.36Å; A246-Y254 PolarHBondContact N-O 2.96Å; A246-Y254 PolarHBondContact O-N 2.91Å; R248-Y254 HydrophobicContact CG-CE2 4.47Å; Y254-I287 HydrophobicContact CD2-CB 4.33Å; Y254-I287 HydrophobicContact CD2-CG1 3.57Å; Y254-I287 HydrophobicContact CE2-CB 4.42Å; Y254-I287 HydrophobicContact CE2-CG1 4.08Å; Y254-I287 HydrophobicContact CE2-CG2 4.46Å; Y254-I287 HydrophobicContact CG-CG1 4.15Å; Y254-G291 WeakPolarHBondContact CE1-O 3.49Å; Y254-G291 PolarHBondContact OH-O 3.23Å
255S97.4Very high94Very high2 Ų235.6 Ų35.61%0.01421%0.207CC..EExtended strand (participates in β ladder)trans-137.6154.6175.8580000112.1M128 S132 L244M128-S255 WeakPolarHBondContact CE-OG 3.07Å; M128-S255 WeakPolarHBondContact CG-OG 2.92Å; S132-S255 WeakPolarHBondContact CB-OG 3.05Å; S132-S255 WeakPolarHBondContact OG-CB 3.34Å; S132-S255 PolarHBondContact OG-OG 3.27Å; L244-S255 CarbonylContact O-C 3.56Å; L244-S255 WeakPolarHBondContact O-CA 3.42Å; L244-S255 WeakPolarHBondContact O-CB 3.25Å
256A97.7Very high93.4Very high7 Ų742.9 Ų42.96%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-153.9159.1172.900000109.7L244 R282 L283L244-A256 PolarHBondContact N-O 2.95Å; L244-A256 PolarHBondContact O-N 3.36Å; A256-R282 HydrophobicContact CB-CB 3.75Å; A256-L283 HydrophobicContact CB-CB 3.86Å; A256-L283 HydrophobicContact CB-CD1 4.27Å; A256-L283 VanDerWaalsContact CB-N 3.3Å
257E97.2Very high92.7Very high36 Ų3647.3 Ų47.317%0.16827%0.271CS..EExtended strand (participates in β ladder)trans-146.7156178.360.3-169.9-178.700112.4S125 L242 T243 R282S125-E257 WeakPolarHBondContact CB-OE2 3.34Å; S125-E257 PolarHBondContact N-OE1 3.42Å; S125-E257 PolarHBondContact OG-OE2 2.83Å; L242-E257 VanDerWaalsContact O-CA 3.25Å; L242-E257 WeakPolarHBondContact O-CA 3.4Å; L242-E257 WeakPolarHBondContact O-CB 3.21Å; T243-E257 HydrophobicContact CG2-CB 4.37Å; T243-E257 PolarHBondContact OG1-OE2 2.87Å; E257-R282 WeakPolarHBondContact O-CD 3.3Å; E257-R282 PolarHBondContact O-NH1 3.47Å
258A97.2Very high92.1Very high6 Ų651.8 Ų51.85%0.0530%0.3CS..EExtended strand (participates in β ladder)trans-144.8149167.500000109.1G241 L242 I275 L278 A279G241-A258 CarbonylContact C-O 3.52Å; G241-A258 VanDerWaalsContact CA-O 3.3Å; G241-A258 WeakPolarHBondContact CA-O 3.44Å; L242-A258 PolarHBondContact N-O 2.96Å; L242-A258 PolarHBondContact O-N 3.45Å; A258-I275 HydrophobicContact CB-CG2 3.85Å; A258-L278 HydrophobicContact CB-CB 4.44Å; A258-L278 HydrophobicContact CB-CD2 4.22Å; A258-L278 HydrophobicContact CB-CG 4.26Å; A258-A279 HydrophobicContact CB-CB 3.8Å
259M95.8Very high91.6Very high28 Ų2858.2 Ų58.214%0.13833%0.334CS..EExtended strand (participates in β ladder)trans-139.8164.2178.761.6177-80.500110.4N119 V120 P121 V158 W195 F240N119-M259 HydrophobicContact CB-SD 4.31Å; V120-M259 VanDerWaalsContact C-SD 3.55Å; P121-M259 HydrophobicContact CG-CE 4.37Å; P121-M259 HydrophobicContact CG-SD 4.22Å; V158-M259 HydrophobicContact CG1-CE 3.85Å; W195-M259 HydrophobicContact CH2-CB 3.85Å; W195-M259 HydrophobicContact CH2-CE 4.27Å; W195-M259 HydrophobicContact CH2-SD 4.4Å; W195-M259 HydrophobicContact CZ2-CB 3.78Å; F240-M259 CarbonylContact O-C 3.54Å; F240-M259 WeakPolarHBondContact O-CA 3.33Å
260S95.1Very high91.5Very high13 Ų1353.1 Ų53.19%0.09131%0.314CS..PPolyproline II helixtrans-61148.9169.662.80000110.7F240F240-S260 PolarHBondContact N-OG 3.21Å; F240-S260 VanDerWaalsContact N-OG 3.14Å; F240-S260 PolarHBondContact O-N 3.13Å; F240-S260 PolarHBondContact O-OG 2.74Å
261E93.5Very high91.6Very high62 Ų6255 Ų5529%0.2932%0.324SS..PPolyproline II helixtrans-57.7143.4170.4-67.3-59.8142.700110.8S265 N267 L269E261-S265 WeakPolarHBondContact CB-OG 3.45Å; E261-N267 HydrophobicContact CB-CB 4.48Å; E261-N267 HydrophobicContact CG-CB 3.82Å; E261-N267 PolarHBondContact OE2-ND2 3.1Å; E261-L269 HydrophobicContact CB-CD2 4.44Å
262P90.6Very high91.8Very high16 Ų1653.5 Ų53.510%0.10431%0.307CS..PPolyproline II helixtrans-62.5153.6179.4-22.533.5000113.5P121 Y159 G264 S265P121-P262 HydrophobicContact CG-CG 3.94Å; Y159-P262 HydrophobicContact CD1-CB 3.71Å; Y159-P262 HydrophobicContact CD1-CG 3.83Å; Y159-P262 HydrophobicContact CE1-CB 4.38Å; P262-G264 PolarHBondContact O-N 3.27Å; P262-S265 WeakPolarHBondContact O-CB 3.39Å; P262-S265 PolarHBondContact O-N 3.26Å; P262-S265 VanDerWaalsContact O-N 3.14Å; P262-S265 PolarHBondContact O-OG 3.26Å; P262-S265 VanDerWaalsContact O-OG 3.05Å
263E85.9Confident91.9Very high113 Ų11356.9 Ų56.953%0.52832%0.323SS..THydrogen-bonded Turntrans-56.4126.9170.7-175.6177.5-154.500110.8S237 P238S237-E263 PolarHBondContact OG-OE2 3.43Å; P238-E263 WeakPolarHBondContact CD-OE2 3.08Å; P238-E263 HydrophobicContact CG-CB 4.45Å
264G85.7Confident92Very high79 Ų7958.7 Ų58.781%0.81434%0.335SS*.THydrogen-bonded Turntrans84.46-179.900000115.5P262P262-G264 PolarHBondContact O-N 3.27Å
265S85.2Confident92Very high39 Ų3958.6 Ų58.627%0.27333%0.334SS..  trans-72.8143.2170.568.10000111.7E261 P262 N267E261-S265 WeakPolarHBondContact CB-OG 3.45Å; P262-S265 WeakPolarHBondContact O-CB 3.39Å; P262-S265 PolarHBondContact O-N 3.26Å; P262-S265 VanDerWaalsContact O-N 3.14Å; P262-S265 PolarHBondContact O-OG 3.26Å; P262-S265 VanDerWaalsContact O-OG 3.05Å; S265-N267 PolarHBondContact O-N 2.92Å
266D83.8Confident92Very high170 Ų17058.5 Ų58.591%0.90933%0.333SS*.  trans-76.33.3172.9-62.4-41.4000113.7
267N84.8Confident92.1Very high94 Ų9461.3 Ų61.350%0.50334%0.344SS..SBendtrans-74.2150.8-178.1-69.3-26.8000111.9E261 S265 L269E261-N267 HydrophobicContact CB-CB 4.48Å; E261-N267 HydrophobicContact CG-CB 3.82Å; E261-N267 PolarHBondContact OE2-ND2 3.1Å; S265-N267 PolarHBondContact O-N 2.92Å; N267-L269 PolarHBondContact O-N 3.37Å
268V83.7Confident92.1Very high128 Ų12862.3 Ų62.378%0.77635%0.351SS*.PPolyproline II helixtrans-65.6123.9175.4-179.60000109.5M270V268-M270 PolarHBondContact O-N 3.24Å
269L85.4Confident92.2Very high141 Ų14162 Ų6274%0.73835%0.348SS*.PPolyproline II helixtrans-66123.9176.4-62.4177.6000110.2E261 N267E261-L269 HydrophobicContact CB-CD2 4.44Å; N267-L269 PolarHBondContact O-N 3.37Å
270M89.8Confident92.3Very high75 Ų7560.7 Ų60.737%0.36934%0.342SS..PPolyproline II helixtrans-90.7145.2171.9-62.1175.868.500110V268 T274 I275 L278V268-M270 PolarHBondContact O-N 3.24Å; M270-T274 HydrophobicContact CE-CG2 3.34Å; M270-I275 HydrophobicContact CB-CD1 4.06Å; M270-I275 HydrophobicContact CB-CG1 3.81Å; M270-L278 HydrophobicContact CE-CD2 4.35Å
271D94.2Very high92.4Very high86 Ų8665.1 Ų65.146%0.4636%0.361SS..PPolyproline II helixtrans-68.3155.1169.668.7-72.4000110.9E273 T274 I275D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.97Å; D271-E273 WeakPolarHBondContact OD2-CB 3.31Å; D271-E273 PolarHBondContact OD2-N 3.45Å; D271-E273 VanDerWaalsContact OD2-N 3.15Å; D271-T274 VanDerWaalsContact CG-OG1 3.22Å; D271-T274 PolarHBondContact O-N 3.35Å; D271-T274 WeakPolarHBondContact OD1-CB 3.42Å; D271-T274 PolarHBondContact OD1-OG1 3.22Å; D271-T274 PolarHBondContact OD2-N 3.33Å; D271-T274 PolarHBondContact OD2-OG1 3.38Å; D271-I275 WeakPolarHBondContact O-CG1 3.08Å; D271-I275 PolarHBondContact O-N 3.11Å; D271-I275 VanDerWaalsContact O-N 3.07Å
272A96.4Very high92.7Very high7 Ų767.8 Ų67.86%0.05837%0.368CS..Hα-helixtrans-64.6-30.2-176.500000113.4Y203 L207 F240 I275 G276Y203-A272 HydrophobicContact CD1-CB 3.99Å; L207-A272 WeakPolarHBondContact CA-O 3.31Å; L207-A272 WeakPolarHBondContact CD2-O 3.22Å; L207-A272 HydrophobicContact CG-CB 4.35Å; F240-A272 HydrophobicContact CD2-CB 4.3Å; F240-A272 HydrophobicContact CE2-CB 3.63Å; F240-A272 HydrophobicContact CZ-CB 4.16Å; A272-I275 PolarHBondContact O-N 3.41Å; A272-G276 PolarHBondContact O-N 3.01Å
273E97.6Very high93Very high72 Ų7267 Ų6734%0.33636%0.363SS..Hα-helixtrans-68.5-42.8177.7-163.2-172.7136.200110.7G210 D271 I275 G276 K277G210-E273 VanDerWaalsContact CA-CG 3.46Å; G210-E273 WeakPolarHBondContact CA-O 3.37Å; D271-E273 VanDerWaalsContact C-N 3.27Å; D271-E273 PolarHBondContact O-N 2.97Å; D271-E273 WeakPolarHBondContact OD2-CB 3.31Å; D271-E273 PolarHBondContact OD2-N 3.45Å; D271-E273 VanDerWaalsContact OD2-N 3.15Å; E273-I275 PolarHBondContact O-N 2.96Å; E273-G276 WeakPolarHBondContact O-CA 3.32Å; E273-G276 PolarHBondContact O-N 2.85Å; E273-G276 VanDerWaalsContact O-N 3.15Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 2.81Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.43Å; E273-K277 IonicContact OE1-NZ 3.13Å; E273-K277 PolarHBondContact OE1-NZ 3.36Å
274T97.7Very high93.6Very high53 Ų5363.6 Ų63.633%0.32535%0.348SS..Hα-helixtrans-64.6-37.5175.8-57.10000112.2M270 D271 G276 K277 L278M270-T274 HydrophobicContact CE-CG2 3.34Å; D271-T274 VanDerWaalsContact CG-OG1 3.22Å; D271-T274 PolarHBondContact O-N 3.35Å; D271-T274 WeakPolarHBondContact OD1-CB 3.42Å; D271-T274 PolarHBondContact OD1-OG1 3.22Å; D271-T274 PolarHBondContact OD2-N 3.33Å; D271-T274 PolarHBondContact OD2-OG1 3.38Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 2.86Å; T274-K277 PolarHBondContact O-N 3.46Å; T274-L278 WeakPolarHBondContact O-CB 3.14Å; T274-L278 PolarHBondContact O-N 3Å
275I97.4Very high94.1Very high3 Ų362.9 Ų62.92%0.01533%0.326CS..Hα-helixtrans-62.7-40.8172.7-66.6163.2000110.7L207 F240 A258 M270 D271 A272 E273 L278 A279L207-I275 HydrophobicContact CD2-CB 3.85Å; L207-I275 HydrophobicContact CD2-CG2 3.58Å; F240-I275 HydrophobicContact CE2-CD1 3.57Å; F240-I275 HydrophobicContact CZ-CD1 3.98Å; A258-I275 HydrophobicContact CB-CG2 3.85Å; M270-I275 HydrophobicContact CB-CD1 4.06Å; M270-I275 HydrophobicContact CB-CG1 3.81Å; D271-I275 WeakPolarHBondContact O-CG1 3.08Å; D271-I275 PolarHBondContact O-N 3.11Å; D271-I275 VanDerWaalsContact O-N 3.07Å; A272-I275 PolarHBondContact O-N 3.41Å; E273-I275 PolarHBondContact O-N 2.96Å; I275-L278 WeakPolarHBondContact O-CB 3.48Å; I275-L278 PolarHBondContact O-N 3.28Å; I275-A279 PolarHBondContact O-N 2.93Å
276G98.2Very high94.6Very high0 Ų062.2 Ų62.20%032%0.319CS..Hα-helixtrans-60-44.9173.600000112.9L207 A272 E273 T274 A279 A280L207-G276 WeakPolarHBondContact O-CA 3.32Å; A272-G276 PolarHBondContact O-N 3.01Å; E273-G276 WeakPolarHBondContact O-CA 3.32Å; E273-G276 PolarHBondContact O-N 2.85Å; E273-G276 VanDerWaalsContact O-N 3.15Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 2.86Å; G276-A279 PolarHBondContact O-N 2.96Å; G276-A280 PolarHBondContact O-N 2.88Å; G276-A280 VanDerWaalsContact O-N 3.15Å
277K98.4Very high95.1Very high66 Ų6656.4 Ų56.429%0.28729%0.287SS..Hα-helixtrans-61.7-43.2174.4-69.1172.7-176.6161.20111.5G210 S213 V214 E273 T274 A279 A280 H281G210-K277 WeakPolarHBondContact O-CG 3.38Å; S213-K277 WeakPolarHBondContact OG-CE 3.17Å; V214-K277 HydrophobicContact CG2-CB 4.2Å; V214-K277 HydrophobicContact CG2-CG 3.97Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 2.81Å; E273-K277 VanDerWaalsContact OE1-CE 3.23Å; E273-K277 WeakPolarHBondContact OE1-CE 3.43Å; E273-K277 IonicContact OE1-NZ 3.13Å; E273-K277 PolarHBondContact OE1-NZ 3.36Å; T274-K277 PolarHBondContact O-N 3.46Å; K277-A279 PolarHBondContact O-N 2.79Å; K277-A280 WeakPolarHBondContact O-CB 3.38Å; K277-A280 PolarHBondContact O-N 2.95Å; K277-H281 PolarHBondContact O-CD2 3.17Å; K277-H281 PolarHBondContact O-N 2.75Å
278L98.1Very high95.5Very high58 Ų5861.5 Ų61.530%0.30430%0.301SS..Hα-helixtrans-59.7-45.5177.617963.2000111.8A258 M270 T274 I275 A280 H281 R282A258-L278 HydrophobicContact CB-CB 4.44Å; A258-L278 HydrophobicContact CB-CD2 4.22Å; A258-L278 HydrophobicContact CB-CG 4.26Å; M270-L278 HydrophobicContact CE-CD2 4.35Å; T274-L278 WeakPolarHBondContact O-CB 3.14Å; T274-L278 PolarHBondContact O-N 3Å; I275-L278 WeakPolarHBondContact O-CB 3.48Å; I275-L278 PolarHBondContact O-N 3.28Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 3.19Å; L278-H281 PolarHBondContact O-N 3.44Å; L278-R282 HydrophobicContact CD1-CG 4.45Å; L278-R282 WeakPolarHBondContact O-CG 3.44Å; L278-R282 PolarHBondContact O-N 3.39Å
279A98.1Very high95.9Very high0 Ų060.1 Ų60.10%028%0.281CS..Hα-helixtrans-59.8-43.4175.700000111.8L242 L244 A258 I275 G276 K277 R282 L283L242-A279 HydrophobicContact CB-CB 4.35Å; L242-A279 HydrophobicContact CD2-CB 4.06Å; L242-A279 HydrophobicContact CG-CB 4.35Å; L244-A279 HydrophobicContact CD1-CB 3.85Å; L244-A279 HydrophobicContact CG-CB 4.33Å; A258-A279 HydrophobicContact CB-CB 3.8Å; I275-A279 PolarHBondContact O-N 2.93Å; G276-A279 PolarHBondContact O-N 2.96Å; K277-A279 PolarHBondContact O-N 2.79Å; A279-R282 PolarHBondContact O-N 2.96Å; A279-L283 PolarHBondContact O-N 2.91Å
280A98.4Very high96.1Very high0 Ų054.2 Ų54.20%025%0.254CS..Hα-helixtrans-62.8-45.517700000112.3A211 V214 L215 L244 G276 K277 L278 R282 L283 L284A211-A280 HydrophobicContact CB-CB 4.43Å; V214-A280 HydrophobicContact CB-CB 3.85Å; V214-A280 HydrophobicContact CG1-CB 4.03Å; V214-A280 HydrophobicContact CG2-CB 4.41Å; L215-A280 HydrophobicContact CD1-CB 4.15Å; L215-A280 HydrophobicContact CD2-CB 4.15Å; L215-A280 HydrophobicContact CG-CB 3.82Å; L244-A280 HydrophobicContact CD1-CB 4.49Å; G276-A280 PolarHBondContact O-N 2.88Å; G276-A280 VanDerWaalsContact O-N 3.15Å; K277-A280 WeakPolarHBondContact O-CB 3.38Å; K277-A280 PolarHBondContact O-N 2.95Å; L278-A280 VanDerWaalsContact C-N 3.33Å; L278-A280 PolarHBondContact O-N 3.19Å; A280-R282 PolarHBondContact O-N 3.11Å; A280-L283 WeakPolarHBondContact O-CB 3.04Å; A280-L283 PolarHBondContact O-N 3.02Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 2.87Å
281H98.4Very high96.3Very high105 Ų10550.7 Ų50.749%0.48624%0.238SC..Hα-helixtrans-62.9-40.2176.2-74.2-59.7000112.6K277 L278 L283 L284 D285K277-H281 PolarHBondContact O-CD2 3.17Å; K277-H281 PolarHBondContact O-N 2.75Å; L278-H281 PolarHBondContact O-N 3.44Å; H281-L283 VanDerWaalsContact C-N 3.3Å; H281-L283 PolarHBondContact O-N 2.77Å; H281-L284 PolarHBondContact O-N 2.68Å; H281-D285 PolarHBondContact O-N 2.93Å
282R97.9Very high96.3Very high119 Ų11947.1 Ų47.145%0.44922%0.218SC..Hα-helixtrans-62.1-38173.9-72.8176.1176.9-174.9-1.5112.2A256 E257 L278 A279 A280 D285 Q286A256-R282 HydrophobicContact CB-CB 3.75Å; E257-R282 WeakPolarHBondContact O-CD 3.3Å; E257-R282 PolarHBondContact O-NH1 3.47Å; L278-R282 HydrophobicContact CD1-CG 4.45Å; L278-R282 WeakPolarHBondContact O-CG 3.44Å; L278-R282 PolarHBondContact O-N 3.39Å; A279-R282 PolarHBondContact O-N 2.96Å; A280-R282 PolarHBondContact O-N 3.11Å; R282-D285 PolarHBondContact O-N 2.98Å; R282-Q286 PolarHBondContact O-N 3.45Å; R282-Q286 VanDerWaalsContact O-N 3.12Å
283L98.1Very high96.3Very high0 Ų047 Ų470%022%0.216CC..Hα-helixtrans-65.1-44.4175.3-175.765.8000111.1V190 L215 L244 A246 A256 A279 A280 H281 D285 Q286 I287V190-L283 HydrophobicContact CG1-CD2 3.84Å; V190-L283 HydrophobicContact CG2-CD2 4.31Å; L215-L283 HydrophobicContact CD2-CD2 4.26Å; L244-L283 HydrophobicContact CB-CD2 3.98Å; L244-L283 HydrophobicContact CD1-CD2 4.43Å; A246-L283 HydrophobicContact CB-CD1 4.12Å; A246-L283 HydrophobicContact CB-CD2 4.24Å; A246-L283 HydrophobicContact CB-CG 4.4Å; A256-L283 HydrophobicContact CB-CB 3.86Å; A256-L283 HydrophobicContact CB-CD1 4.27Å; A256-L283 VanDerWaalsContact CB-N 3.3Å; A279-L283 PolarHBondContact O-N 2.91Å; A280-L283 WeakPolarHBondContact O-CB 3.04Å; A280-L283 PolarHBondContact O-N 3.02Å; H281-L283 VanDerWaalsContact C-N 3.3Å; H281-L283 PolarHBondContact O-N 2.77Å; L283-D285 VanDerWaalsContact C-N 3.29Å; L283-D285 PolarHBondContact O-N 2.96Å; L283-Q286 PolarHBondContact O-N 2.95Å; L283-Q286 VanDerWaalsContact O-N 3.16Å; L283-I287 HydrophobicContact CG-CD1 4.08Å; L283-I287 WeakPolarHBondContact O-CG1 3.35Å; L283-I287 PolarHBondContact O-N 2.82Å
284L97.5Very high96.1Very high40 Ų4043.7 Ų43.721%0.20920%0.201CC..Hα-helixtrans-61.3-37.5176-67.8172.5000111.9V214 L215 F218 A280 H281 I287 Y288V214-L284 HydrophobicContact CG1-CD1 3.78Å; L215-L284 HydrophobicContact CD2-CD2 4.46Å; L215-L284 HydrophobicContact CD2-CG 4.5Å; F218-L284 HydrophobicContact CD2-CD1 4.2Å; F218-L284 HydrophobicContact CD2-CD2 4.11Å; F218-L284 HydrophobicContact CE2-CD1 3.65Å; F218-L284 HydrophobicContact CE2-CD2 4.23Å; F218-L284 HydrophobicContact CG-CD2 4.46Å; F218-L284 HydrophobicContact CZ-CD1 4.22Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 2.87Å; H281-L284 PolarHBondContact O-N 2.68Å; L284-I287 HydrophobicContact CD2-CD1 4.39Å; L284-I287 PolarHBondContact O-N 2.82Å; L284-Y288 WeakPolarHBondContact O-CB 3.41Å; L284-Y288 PolarHBondContact O-N 2.73Å
285D96.2Very high96Very high65 Ų6541.8 Ų41.835%0.34819%0.189SC..Hα-helixtrans-62.1-42.8172.8-178.453.5000111.9H281 R282 L283 I287 Y288 R289H281-D285 PolarHBondContact O-N 2.93Å; R282-D285 PolarHBondContact O-N 2.98Å; L283-D285 VanDerWaalsContact C-N 3.29Å; L283-D285 PolarHBondContact O-N 2.96Å; D285-I287 VanDerWaalsContact C-N 3.35Å; D285-I287 PolarHBondContact O-N 2.89Å; D285-Y288 PolarHBondContact O-N 3.36Å; D285-R289 VanDerWaalsContact O-CG 3.28Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.76Å; D285-R289 IonicContact OD1-NE 2.84Å; D285-R289 IonicContact OD2-CZ 3.04Å; D285-R289 IonicContact OD2-NE 3.91Å; D285-R289 PolarHBondContact OD2-NE 2.87Å; D285-R289 IonicContact OD2-NH2 3.34Å; D285-R289 PolarHBondContact OD2-NH2 2.84Å
286Q95.6Very high95.8Very high25 Ų2543.1 Ų43.112%0.11720%0.204CC..Hα-helixtrans-64.1-39.4174.4-66.9-55.2-58.200112.5R282 L283 G290 S295R282-Q286 PolarHBondContact O-N 3.45Å; R282-Q286 VanDerWaalsContact O-N 3.12Å; L283-Q286 PolarHBondContact O-N 2.95Å; L283-Q286 VanDerWaalsContact O-N 3.16Å; Q286-G290 PolarHBondContact O-N 2.84Å; Q286-S295 PolarHBondContact OE1-OG 2.5Å
287I95Very high95.6Very high48 Ų4843.1 Ų43.125%0.24620%0.204CC..Hα-helixtrans-64.2-43.2175.7-66.9164.5000110.5V187 A246 Y254 L283 L284 D285 G290V187-I287 HydrophobicContact CG2-CD1 4.29Å; V187-I287 HydrophobicContact CG2-CG1 4.3Å; V187-I287 HydrophobicContact CG2-CG2 4.45Å; A246-I287 HydrophobicContact CB-CD1 3.91Å; A246-I287 HydrophobicContact CB-CG1 4.29Å; Y254-I287 HydrophobicContact CD2-CB 4.33Å; Y254-I287 HydrophobicContact CD2-CG1 3.57Å; Y254-I287 HydrophobicContact CE2-CB 4.42Å; Y254-I287 HydrophobicContact CE2-CG1 4.08Å; Y254-I287 HydrophobicContact CE2-CG2 4.46Å; Y254-I287 HydrophobicContact CG-CG1 4.15Å; L283-I287 HydrophobicContact CG-CD1 4.08Å; L283-I287 WeakPolarHBondContact O-CG1 3.35Å; L283-I287 PolarHBondContact O-N 2.82Å; L284-I287 HydrophobicContact CD2-CD1 4.39Å; L284-I287 PolarHBondContact O-N 2.82Å; D285-I287 VanDerWaalsContact C-N 3.35Å; D285-I287 PolarHBondContact O-N 2.89Å; I287-G290 PolarHBondContact O-N 3.29Å; I287-G290 VanDerWaalsContact O-N 3.1Å
288Y93.6Very high95.6Very high201 Ų20140 Ų4079%0.78819%0.191SC*.Hα-helixtrans-63.7-40.8179.9177.6-102.2000112.4L284 D285 G290L284-Y288 WeakPolarHBondContact O-CB 3.41Å; L284-Y288 PolarHBondContact O-N 2.73Å; D285-Y288 PolarHBondContact O-N 3.36Å; Y288-G290 PolarHBondContact O-N 2.74Å
289R91.2Very high95.5Very high99 Ų9937.2 Ų37.237%0.37418%0.176SC..Hα-helixtrans-60.6-24.9173.6-70.8171.3-170.1-154.32.9113D285 S295 G319D285-R289 VanDerWaalsContact O-CG 3.28Å; D285-R289 WeakPolarHBondContact O-CG 3.3Å; D285-R289 PolarHBondContact O-N 2.76Å; D285-R289 IonicContact OD1-NE 2.84Å; D285-R289 IonicContact OD2-CZ 3.04Å; D285-R289 IonicContact OD2-NE 3.91Å; D285-R289 PolarHBondContact OD2-NE 2.87Å; D285-R289 IonicContact OD2-NH2 3.34Å; D285-R289 PolarHBondContact OD2-NH2 2.84Å; R289-S295 PolarHBondContact NH1-OG 3.13Å; R289-G319 WeakPolarHBondContact O-CA 3.21Å
290G90.6Very high95.5Very high16 Ų1637.2 Ų37.217%0.16518%0.176CC..  trans69.6-164.6177.900000114.3Q286 I287 Y288 G319Q286-G290 PolarHBondContact O-N 2.84Å; I287-G290 PolarHBondContact O-N 3.29Å; I287-G290 VanDerWaalsContact O-N 3.1Å; Y288-G290 PolarHBondContact O-N 2.74Å; G290-G319 WeakPolarHBondContact O-CA 3.33Å; G290-G319 PolarHBondContact O-N 2.87Å
291G92.9Very high95.5Very high2 Ų237.2 Ų37.22%0.02118%0.176CC..SBendtrans96.7175.4-173.400000113.1R248 Y254R248-G291 PolarHBondContact NH1-O 2.8Å; Y254-G291 WeakPolarHBondContact CE1-O 3.49Å; Y254-G291 PolarHBondContact OH-O 3.23Å
292F95.4Very high95.5Very high10 Ų1032.2 Ų32.24%0.04415%0.153CC..SBendtrans-81.7-27.8174.7-172.5-92.9000112.4I136 K181 D250 G251 G252 V253 L316 A317I136-F292 HydrophobicContact CD1-CD1 4.24Å; I136-F292 HydrophobicContact CD1-CE1 4.11Å; K181-F292 HydrophobicContact CB-CB 4.31Å; K181-F292 HydrophobicContact CB-CD1 3.75Å; K181-F292 HydrophobicContact CB-CD2 3.85Å; K181-F292 HydrophobicContact CB-CE1 3.99Å; K181-F292 HydrophobicContact CB-CE2 4.05Å; K181-F292 HydrophobicContact CB-CG 3.69Å; K181-F292 HydrophobicContact CB-CZ 4.14Å; K181-F292 HydrophobicContact CD-CD2 4.39Å; K181-F292 HydrophobicContact CD-CE1 4.06Å; K181-F292 HydrophobicContact CD-CE2 3.74Å; K181-F292 HydrophobicContact CD-CZ 3.57Å; K181-F292 HydrophobicContact CG-CD1 4.1Å; K181-F292 HydrophobicContact CG-CD2 4.47Å; K181-F292 HydrophobicContact CG-CE1 3.82Å; K181-F292 HydrophobicContact CG-CE2 4.19Å; K181-F292 HydrophobicContact CG-CG 4.43Å; K181-F292 HydrophobicContact CG-CZ 3.87Å; D250-F292 VanDerWaalsContact OD2-CD2 3.29Å; D250-F292 WeakPolarHBondContact OD2-CD2 3.41Å; D250-F292 WeakPolarHBondContact OD2-CE2 3.38Å; G251-F292 VanDerWaalsContact C-CZ 3.45Å; G252-F292 VanDerWaalsContact CA-O 3.29Å; G252-F292 WeakPolarHBondContact CA-O 3.08Å; G252-F292 VanDerWaalsContact N-CE2 3.35Å; G252-F292 VanDerWaalsContact N-CZ 3.29Å; V253-F292 PolarHBondContact N-O 3.05Å; F292-L316 HydrophobicContact CB-CD1 4.01Å; F292-L316 HydrophobicContact CD1-CD1 4.11Å; F292-L316 HydrophobicContact CG-CD1 4.38Å; F292-A317 HydrophobicContact CB-CB 4.19Å; F292-A317 WeakPolarHBondContact CB-O 3.34Å; F292-A317 PolarHBondContact N-O 2.91Å
293I95.6Very high95.5Very high5 Ų526.6 Ų26.63%0.02613%0.132CC..BIsolated β-bridgetrans-126.6155.3-179.459169.1000111.6I136 Q298 A301 L316 V318I136-I293 HydrophobicContact CB-CG2 4.13Å; I136-I293 HydrophobicContact CD1-CG2 4.21Å; I136-I293 HydrophobicContact CG1-CG2 4.08Å; I136-I293 HydrophobicContact CG2-CG2 4.4Å; I293-Q298 HydrophobicContact CD1-CB 4.4Å; I293-Q298 HydrophobicContact CD1-CG 4.07Å; I293-Q298 HydrophobicContact CG1-CG 4.44Å; I293-A301 HydrophobicContact CD1-CB 3.65Å; I293-L316 HydrophobicContact CD1-CD2 3.7Å; I293-L316 HydrophobicContact CG1-CD2 4.27Å; I293-V318 HydrophobicContact CD1-CG1 4.32Å; I293-V318 HydrophobicContact CG1-CG1 4.19Å
294D94.6Very high95.5Very high3 Ų326.7 Ų26.72%0.01613%0.132CC..  trans-71.1166.3170.870.7-75.2000113.2S132 G296 T297S132-D294 PolarHBondContact OG-OD1 3.2Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.5Å; D294-G296 WeakPolarHBondContact OD2-CA 3.45Å; D294-G296 PolarHBondContact OD2-N 3.07Å; D294-T297 PolarHBondContact O-N 2.7Å; D294-T297 WeakPolarHBondContact OD1-CB 3.38Å; D294-T297 PolarHBondContact OD1-OG1 3.25Å; D294-T297 PolarHBondContact OD2-N 3.43Å; D294-T297 PolarHBondContact OD2-OG1 3.31Å
295S93.9Very high95.5Very high12 Ų1224.8 Ų24.88%0.08412%0.122CC..THydrogen-bonded Turntrans-61-32.9-177.3-520000113.5Q286 R289Q286-S295 PolarHBondContact OE1-OG 2.5Å; R289-S295 PolarHBondContact NH1-OG 3.13Å
296G93.1Very high95.6Very high32 Ų3221.7 Ų21.733%0.3311%0.106SC..THydrogen-bonded Turntrans-70.5-35.7-177.400000112.6W133 D294W133-G296 WeakPolarHBondContact CZ2-O 3.45Å; D294-G296 VanDerWaalsContact C-N 3.28Å; D294-G296 PolarHBondContact O-N 3.5Å; D294-G296 WeakPolarHBondContact OD2-CA 3.45Å; D294-G296 PolarHBondContact OD2-N 3.07Å
297T95.9Very high95.6Very high0 Ų020.5 Ų20.50%010%0.1CC..THydrogen-bonded Turntrans-79.5-18.1-177.7-50.30000113.8W133 I136 D294 S299 L300 A301W133-T297 HydrophobicContact CB-CG2 4.26Å; W133-T297 HydrophobicContact CG-CG2 4.1Å; W133-T297 PolarHBondContact NE1-OG1 2.96Å; I136-T297 HydrophobicContact CG2-CG2 3.31Å; D294-T297 PolarHBondContact O-N 2.7Å; D294-T297 WeakPolarHBondContact OD1-CB 3.38Å; D294-T297 PolarHBondContact OD1-OG1 3.25Å; D294-T297 PolarHBondContact OD2-N 3.43Å; D294-T297 PolarHBondContact OD2-OG1 3.31Å; T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 3.06Å; T297-L300 PolarHBondContact O-N 3Å; T297-A301 PolarHBondContact O-N 3.3Å; T297-A301 VanDerWaalsContact O-N 3.09Å
298Q96.9Very high95.7Very high0 Ų018.3 Ų18.30%09%0.089CC..Hα-helixtrans-51.1-46.3-174.4-73.9177.4-3.200113.7I293 A301 F302 G319 N320 S325I293-Q298 HydrophobicContact CD1-CB 4.4Å; I293-Q298 HydrophobicContact CD1-CG 4.07Å; I293-Q298 HydrophobicContact CG1-CG 4.44Å; Q298-A301 PolarHBondContact O-N 3.29Å; Q298-F302 HydrophobicContact CB-CD2 4.43Å; Q298-F302 HydrophobicContact CB-CE2 3.9Å; Q298-F302 HydrophobicContact CB-CZ 4.2Å; Q298-F302 HydrophobicContact CG-CZ 4.48Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 WeakPolarHBondContact O-CG 3.49Å; Q298-F302 PolarHBondContact O-N 3Å; Q298-G319 PolarHBondContact NE2-O 2.83Å; Q298-N320 PolarHBondContact NE2-O 2.89Å; Q298-S325 WeakPolarHBondContact CB-OG 3.43Å; Q298-S325 VanDerWaalsContact OE1-CB 3.31Å; Q298-S325 PolarHBondContact OE1-OG 2.82Å
299S96.9Very high95.7Very high0 Ų010.3 Ų10.30%06%0.062CC..Hα-helixtrans-59.2-50-177.458.10000112.3T297 F302 V303 Y324T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 3.06Å; S299-F302 PolarHBondContact O-N 2.82Å; S299-V303 WeakPolarHBondContact O-CG2 3.37Å; S299-V303 PolarHBondContact O-N 3.4Å; S299-Y324 VanDerWaalsContact CB-CE1 3.46Å; S299-Y324 WeakPolarHBondContact OG-CE1 3.3Å
300L97.7Very high95.7Very high0 Ų07.7 Ų7.70%07%0.066CC..Hα-helixtrans-60.3-46.4176.4177.463.3000110.8L100 M101 W133 T297 F302 V303 L304L100-L300 HydrophobicContact CB-CD1 4.01Å; L100-L300 HydrophobicContact CB-CD2 4.21Å; L100-L300 HydrophobicContact CD1-CD2 4.05Å; M101-L300 HydrophobicContact CG-CD1 3.74Å; W133-L300 HydrophobicContact CB-CD2 4.16Å; W133-L300 HydrophobicContact CD2-CD2 4.45Å; W133-L300 HydrophobicContact CE3-CD2 3.88Å; T297-L300 PolarHBondContact O-N 3Å; L300-F302 PolarHBondContact O-N 2.94Å; L300-V303 PolarHBondContact O-N 3.47Å; L300-L304 HydrophobicContact CD1-CD1 3.93Å; L300-L304 HydrophobicContact CD1-CG 4.3Å; L300-L304 HydrophobicContact CG-CD1 3.83Å; L300-L304 WeakPolarHBondContact O-CD1 3.41Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.2Å
301A97.8Very high95.8Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-60.3-44.117900000112I136 I293 T297 Q298 V303 L304 M305 L316I136-A301 HydrophobicContact CG1-CB 4.29Å; I293-A301 HydrophobicContact CD1-CB 3.65Å; T297-A301 PolarHBondContact O-N 3.3Å; T297-A301 VanDerWaalsContact O-N 3.09Å; Q298-A301 PolarHBondContact O-N 3.29Å; A301-V303 PolarHBondContact O-N 2.89Å; A301-L304 PolarHBondContact O-N 2.85Å; A301-M305 WeakPolarHBondContact O-CB 3.25Å; A301-M305 VanDerWaalsContact O-CG 3.27Å; A301-M305 WeakPolarHBondContact O-CG 3.46Å; A301-M305 PolarHBondContact O-N 3.27Å; A301-L316 HydrophobicContact CB-CD2 3.76Å
302F98.4Very high95.9Very high0 Ų018.9 Ų18.90%011%0.109CC..Hα-helixtrans-65-39.5177.9-61.8-29.2000112.7Q298 S299 L300 L304 M305 A306 V318 L321 L329 I332 F340 F342 A376Q298-F302 HydrophobicContact CB-CD2 4.43Å; Q298-F302 HydrophobicContact CB-CE2 3.9Å; Q298-F302 HydrophobicContact CB-CZ 4.2Å; Q298-F302 HydrophobicContact CG-CZ 4.48Å; Q298-F302 WeakPolarHBondContact O-CD2 3.48Å; Q298-F302 WeakPolarHBondContact O-CG 3.49Å; Q298-F302 PolarHBondContact O-N 3Å; S299-F302 PolarHBondContact O-N 2.82Å; L300-F302 PolarHBondContact O-N 2.94Å; F302-L304 VanDerWaalsContact C-N 3.33Å; F302-L304 PolarHBondContact O-N 3.21Å; F302-M305 HydrophobicContact CD1-SD 4.26Å; F302-A306 VanDerWaalsContact O-CB 3.31Å; F302-A306 WeakPolarHBondContact O-CB 3.36Å; F302-A306 PolarHBondContact O-N 2.92Å; F302-V318 HydrophobicContact CE1-CG1 3.99Å; F302-V318 HydrophobicContact CZ-CG1 4.06Å; F302-L321 HydrophobicContact CE2-CD2 3.91Å; F302-L321 HydrophobicContact CZ-CD2 3.78Å; F302-L329 HydrophobicContact CB-CD2 4.17Å; F302-L329 HydrophobicContact CD2-CD1 4.32Å; F302-L329 HydrophobicContact CD2-CD2 3.72Å; F302-L329 HydrophobicContact CD2-CG 3.9Å; F302-L329 HydrophobicContact CE2-CD1 4.12Å; F302-L329 HydrophobicContact CE2-CD2 4.2Å; F302-L329 HydrophobicContact CE2-CG 4.22Å; F302-L329 HydrophobicContact CG-CD2 3.91Å; F302-I332 HydrophobicContact CB-CD1 3.75Å; F302-F340 HydrophobicContact CB-CE1 4.31Å; F302-F340 HydrophobicContact CB-CZ 4.04Å; F302-F340 HydrophobicContact CD1-CD1 4.31Å; F302-F340 AromaticContact CD1-CE1 3.74Å; F302-F340 HydrophobicContact CD1-CE1 3.74Å; F302-F340 HydrophobicContact CD1-CZ 4.33Å; F302-F340 HydrophobicContact CE1-CE1 4.46Å; F302-F340 HydrophobicContact CG-CE1 4.28Å; F302-F340 HydrophobicContact CG-CZ 4.49Å; F302-F340 WeakPolarHBondContact O-CZ 3.38Å; F302-F342 HydrophobicContact CZ-CE1 4.43Å; F302-A376 HydrophobicContact CE1-CB 3.93Å
303V98.3Very high95.9Very high1 Ų120.8 Ų20.81%0.00613%0.126CC..Hα-helixtrans-60.9-45.2174.7171.60000110.3V15 L19 M101 S299 L300 A301 A306 C307 T328 I332V15-V303 HydrophobicContact CG1-CG2 4.2Å; L19-V303 HydrophobicContact CD2-CG1 4.17Å; M101-V303 HydrophobicContact CB-CG1 4.49Å; M101-V303 HydrophobicContact CG-CG1 4.15Å; M101-V303 HydrophobicContact SD-CB 4.46Å; M101-V303 HydrophobicContact SD-CG1 4.25Å; M101-V303 HydrophobicContact SD-CG2 4.07Å; S299-V303 WeakPolarHBondContact O-CG2 3.37Å; S299-V303 PolarHBondContact O-N 3.4Å; L300-V303 PolarHBondContact O-N 3.47Å; A301-V303 PolarHBondContact O-N 2.89Å; V303-A306 PolarHBondContact O-N 3.15Å; V303-C307 WeakPolarHBondContact O-CB 3.47Å; V303-C307 PolarHBondContact O-N 3.29Å; V303-C307 PolarHBondContact O-SG 2.94Å; V303-T328 HydrophobicContact CG2-CG2 3.83Å; V303-I332 HydrophobicContact CG2-CD1 4.15Å; V303-I332 HydrophobicContact CG2-CG1 4.36Å
304L97.6Very high96Very high1 Ų120.6 Ų20.61%0.00513%0.125CC..Hα-helixtrans-66.4-45.6180-65.2164.1000112.1Y137 S140 V176 L300 A301 F302 A306 C307 E308Y137-L304 HydrophobicContact CD2-CD1 3.78Å; Y137-L304 HydrophobicContact CD2-CD2 4.4Å; Y137-L304 HydrophobicContact CE2-CD2 4.37Å; S140-L304 WeakPolarHBondContact OG-CD1 3.43Å; V176-L304 HydrophobicContact CG1-CB 4.3Å; V176-L304 WeakPolarHBondContact CG1-O 3.3Å; V176-L304 HydrophobicContact CG2-CD2 4.43Å; L300-L304 HydrophobicContact CD1-CD1 3.93Å; L300-L304 HydrophobicContact CD1-CG 4.3Å; L300-L304 HydrophobicContact CG-CD1 3.83Å; L300-L304 WeakPolarHBondContact O-CD1 3.41Å; L300-L304 VanDerWaalsContact O-CG 3.26Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.2Å; A301-L304 PolarHBondContact O-N 2.85Å; F302-L304 VanDerWaalsContact C-N 3.33Å; F302-L304 PolarHBondContact O-N 3.21Å; L304-A306 VanDerWaalsContact C-N 3.28Å; L304-A306 PolarHBondContact O-N 3.41Å; L304-C307 CarbonylContact O-C 3.56Å; L304-C307 PolarHBondContact O-N 3Å; L304-C307 VanDerWaalsContact O-N 3.11Å; L304-E308 PolarHBondContact O-N 3.28Å
305M97.8Very high96.1Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-57.9-41.3174.9-70.3171.472.200111.8I179 A301 F302 C307 E308 L316 F340I179-M305 HydrophobicContact CB-CG 4.26Å; I179-M305 HydrophobicContact CD1-CG 3.89Å; I179-M305 HydrophobicContact CG1-CG 4.3Å; A301-M305 WeakPolarHBondContact O-CB 3.25Å; A301-M305 VanDerWaalsContact O-CG 3.27Å; A301-M305 WeakPolarHBondContact O-CG 3.46Å; A301-M305 PolarHBondContact O-N 3.27Å; F302-M305 HydrophobicContact CD1-SD 4.26Å; M305-C307 VanDerWaalsContact C-N 3.33Å; M305-E308 WeakPolarHBondContact O-CB 3.48Å; M305-E308 PolarHBondContact O-N 3.06Å; M305-L316 HydrophobicContact CE-CB 3.9Å; M305-L316 HydrophobicContact SD-CB 3.76Å; M305-L316 HydrophobicContact SD-CD2 3.8Å; M305-L316 HydrophobicContact SD-CG 4.46Å; M305-F340 HydrophobicContact CB-CE1 4.25Å; M305-F340 HydrophobicContact CB-CZ 4.02Å; M305-F340 HydrophobicContact CE-CE1 3.93Å; M305-F340 HydrophobicContact SD-CE1 4.08Å
306A98.1Very high96.3Very high0 Ų024.8 Ų24.80%014%0.139CC..Hα-helixtrans-70.5-29.7177.900000113.1F302 V303 L304 E308 I332 L336 V338 F340 A381F302-A306 VanDerWaalsContact O-CB 3.31Å; F302-A306 WeakPolarHBondContact O-CB 3.36Å; F302-A306 PolarHBondContact O-N 2.92Å; V303-A306 PolarHBondContact O-N 3.15Å; L304-A306 VanDerWaalsContact C-N 3.28Å; L304-A306 PolarHBondContact O-N 3.41Å; A306-E308 VanDerWaalsContact C-N 3.29Å; A306-I332 HydrophobicContact CB-CD1 4.32Å; A306-I332 HydrophobicContact CB-CG1 4.37Å; A306-I332 HydrophobicContact CB-CG2 3.42Å; A306-I332 VanDerWaalsContact CB-CG2 3.42Å; A306-L336 HydrophobicContact CB-CD1 3.79Å; A306-V338 HydrophobicContact CB-CB 4.18Å; A306-V338 HydrophobicContact CB-CG1 4.08Å; A306-V338 HydrophobicContact CB-CG2 4.31Å; A306-F340 HydrophobicContact CB-CE2 4.15Å; A306-F340 HydrophobicContact CB-CZ 4.4Å; A306-A381 WeakPolarHBondContact O-CB 3.28Å; A306-A381 PolarHBondContact O-N 3.44Å
307C97.1Very high96.4Very high0 Ų023.2 Ų23.20%012%0.123CC..THydrogen-bonded Turntrans-88.210.4177.3-590000113.6F105 V303 L304 M305 S309 V383F105-C307 HydrophobicContact CE1-CB 4.43Å; F105-C307 HydrophobicContact CE2-CB 4.37Å; F105-C307 HydrophobicContact CZ-CB 3.6Å; V303-C307 WeakPolarHBondContact O-CB 3.47Å; V303-C307 PolarHBondContact O-N 3.29Å; V303-C307 PolarHBondContact O-SG 2.94Å; L304-C307 CarbonylContact O-C 3.56Å; L304-C307 PolarHBondContact O-N 3Å; L304-C307 VanDerWaalsContact O-N 3.11Å; M305-C307 VanDerWaalsContact C-N 3.33Å; C307-S309 PolarHBondContact O-N 3.36Å; C307-V383 HydrophobicContact CB-CB 4.31Å; C307-V383 HydrophobicContact CB-CG2 4.26Å
308E96.3Very high96.4Very high3 Ų323.3 Ų23.31%0.01412%0.124CC..BIsolated β-bridgetrans-56.2138.9175.2-171.7-73.7151.200111P178 L304 M305 A306 G310 R311 N312 G382 V383P178-E308 HydrophobicContact CB-CG 3.96Å; P178-E308 WeakPolarHBondContact CD-OE1 3.4Å; P178-E308 HydrophobicContact CG-CG 4.42Å; L304-E308 PolarHBondContact O-N 3.28Å; M305-E308 WeakPolarHBondContact O-CB 3.48Å; M305-E308 PolarHBondContact O-N 3.06Å; A306-E308 VanDerWaalsContact C-N 3.29Å; E308-G310 WeakPolarHBondContact OE1-CA 3.39Å; E308-G310 PolarHBondContact OE1-N 3.17Å; E308-G310 PolarHBondContact OE2-N 2.83Å; E308-G310 VanDerWaalsContact OE2-N 3.1Å; E308-R311 WeakPolarHBondContact OE2-CA 3.39Å; E308-R311 PolarHBondContact OE2-N 3.1Å; E308-N312 PolarHBondContact OE1-ND2 3.44Å; E308-N312 PolarHBondContact OE2-N 3Å; E308-G382 VanDerWaalsContact O-CA 3.24Å; E308-G382 WeakPolarHBondContact O-CA 2.84Å; E308-G382 PolarHBondContact O-N 3.04Å; E308-V383 PolarHBondContact O-N 3.05Å
309S92.7Very high96.2Very high32 Ų3223.5 Ų23.522%0.22413%0.125CC..SBendtrans-88.4-24.6-163.358.90000115.3V176 C307 G382 V383V176-S309 PolarHBondContact O-N 2.75Å; V176-S309 PolarHBondContact O-OG 3.47Å; C307-S309 PolarHBondContact O-N 3.36Å; S309-G382 WeakPolarHBondContact O-CA 3.3Å; S309-V383 WeakPolarHBondContact CB-O 3.34Å
310G92.1Very high95.9Very high44 Ų4428.3 Ų28.345%0.45415%0.151SC..SBendtrans-96.52.4-176.600000115.2E308 N312E308-G310 WeakPolarHBondContact OE1-CA 3.39Å; E308-G310 PolarHBondContact OE1-N 3.17Å; E308-G310 PolarHBondContact OE2-N 2.83Å; E308-G310 VanDerWaalsContact OE2-N 3.1Å; G310-N312 PolarHBondContact O-N 3.01Å
311R91.9Very high95.8Very high175 Ų17530.9 Ų30.966%0.6617%0.165SC*.  trans56.632.6-170.2-56.8-172174.7130.31112.6E308E308-R311 WeakPolarHBondContact OE2-CA 3.39Å; E308-R311 PolarHBondContact OE2-N 3.1Å
312N95.5Very high95.6Very high79 Ų7932.6 Ų32.642%0.42218%0.176SC..  trans-81.7157.4177.8-63.7-59.9000110.5P178 E308 G310 F379 G380P178-N312 HydrophobicContact CB-CB 4.06Å; P178-N312 HydrophobicContact CG-CB 3.97Å; E308-N312 PolarHBondContact OE1-ND2 3.44Å; E308-N312 PolarHBondContact OE2-N 3Å; G310-N312 PolarHBondContact O-N 3.01Å; N312-F379 WeakPolarHBondContact O-CA 3.2Å; N312-G380 PolarHBondContact O-N 3.06Å
313A95.6Very high95.5Very high50 Ų5040.5 Ų40.541%0.41321%0.213SC..EExtended strand (participates in β ladder)trans-70131.4171.200000109.9C378 F379A313-C378 CarbonylContact C-O 3.52Å; A313-C378 WeakPolarHBondContact CA-O 3.34Å; A313-F379 HydrophobicContact CB-CD1 4.13Å; A313-F379 HydrophobicContact CB-CE1 3.76Å; A313-F379 HydrophobicContact CB-CZ 4.2Å
314S97.3Very high95.4Very high0 Ų043.1 Ų43.10%022%0.224CC..EExtended strand (participates in β ladder)trans-112.5139.7165.5-63.60000109.1P178 I179 T377 C378P178-S314 WeakPolarHBondContact CA-OG 3.32Å; P178-S314 WeakPolarHBondContact CB-OG 3.11Å; I179-S314 PolarHBondContact N-OG 3.18Å; I179-S314 CarbonylContact O-C 3.59Å; I179-S314 WeakPolarHBondContact O-CA 3.26Å; I179-S314 WeakPolarHBondContact O-CB 3.4Å; S314-T377 VanDerWaalsContact O-CA 3.29Å; S314-T377 WeakPolarHBondContact O-CA 3.19Å; S314-C378 PolarHBondContact N-O 3.47Å; S314-C378 PolarHBondContact O-N 2.96Å
315R97Very high95.3Very high103 Ų10343.1 Ų43.139%0.38922%0.224SC..EExtended strand (participates in β ladder)trans-130.4131177.1-57.5-179.8-64-167.8-3109.8I179 D180 K181 I182 V375 A376 T377I179-R315 PolarHBondContact O-N 3.1Å; I179-R315 VanDerWaalsContact O-O 3.11Å; D180-R315 WeakPolarHBondContact CA-O 3.3Å; D180-R315 VanDerWaalsContact CG-NH2 3.29Å; D180-R315 IonicContact OD1-CZ 3.44Å; D180-R315 IonicContact OD1-NE 2.83Å; D180-R315 PolarHBondContact OD1-NE 3.44Å; D180-R315 IonicContact OD1-NH2 3.26Å; D180-R315 PolarHBondContact OD1-NH2 2.83Å; D180-R315 IonicContact OD2-CZ 2.7Å; D180-R315 IonicContact OD2-NE 3.87Å; D180-R315 IonicContact OD2-NH2 3.92Å; D180-R315 PolarHBondContact OD2-NH2 2.72Å; K181-R315 PolarHBondContact N-O 3.43Å; I182-R315 HydrophobicContact CG2-CB 3.69Å; R315-V375 HydrophobicContact CB-CG1 4.35Å; R315-A376 CarbonylContact C-O 3.59Å; R315-A376 WeakPolarHBondContact CA-O 3.39Å; R315-T377 HydrophobicContact CG-CG2 4.02Å
316L97.2Very high95.3Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-139.3123.5-178.2-177.162.7000110.2I136 I179 K181 F292 I293 A301 M305 V318 A376I136-L316 HydrophobicContact CD1-CD1 4.28Å; I179-L316 HydrophobicContact CG2-CD1 4.2Å; K181-L316 HydrophobicContact CB-CD1 3.81Å; F292-L316 HydrophobicContact CB-CD1 4.01Å; F292-L316 HydrophobicContact CD1-CD1 4.11Å; F292-L316 HydrophobicContact CG-CD1 4.38Å; I293-L316 HydrophobicContact CD1-CD2 3.7Å; I293-L316 HydrophobicContact CG1-CD2 4.27Å; A301-L316 HydrophobicContact CB-CD2 3.76Å; M305-L316 HydrophobicContact CE-CB 3.9Å; M305-L316 HydrophobicContact SD-CB 3.76Å; M305-L316 HydrophobicContact SD-CD2 3.8Å; M305-L316 HydrophobicContact SD-CG 4.46Å; L316-V318 HydrophobicContact CD2-CG1 3.95Å; L316-V318 HydrophobicContact CG-CG1 3.85Å; L316-V318 PolarHBondContact O-N 3.31Å; L316-A376 PolarHBondContact N-O 3.35Å; L316-A376 PolarHBondContact O-N 2.98Å
317A95.6Very high95.3Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-69.1127.8166.900000109.1K181 V184 F292 I373K181-A317 PolarHBondContact O-N 3.09Å; V184-A317 HydrophobicContact CG2-CB 3.71Å; F292-A317 HydrophobicContact CB-CB 4.19Å; F292-A317 WeakPolarHBondContact CB-O 3.34Å; F292-A317 PolarHBondContact N-O 2.91Å; A317-I373 HydrophobicContact CB-CG2 3.65Å
318V95.7Very high95.4Very high2 Ų247 Ų471%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-133.4150.8179.1-65.60000109.7I293 F302 L316 L321 L374 A376I293-V318 HydrophobicContact CD1-CG1 4.32Å; I293-V318 HydrophobicContact CG1-CG1 4.19Å; F302-V318 HydrophobicContact CE1-CG1 3.99Å; F302-V318 HydrophobicContact CZ-CG1 4.06Å; L316-V318 HydrophobicContact CD2-CG1 3.95Å; L316-V318 HydrophobicContact CG-CG1 3.85Å; L316-V318 PolarHBondContact O-N 3.31Å; V318-L321 HydrophobicContact CG2-CD2 4.25Å; V318-L374 HydrophobicContact CG2-CB 4.43Å; V318-L374 HydrophobicContact CG2-CD2 4.13Å; V318-L374 HydrophobicContact CG2-CG 4.17Å; V318-L374 PolarHBondContact N-O 3.12Å; V318-L374 WeakPolarHBondContact O-CB 3.48Å; V318-L374 VanDerWaalsContact O-O 3.13Å; V318-A376 HydrophobicContact CG2-CB 4.22Å
319G92.7Very high95.5Very high3 Ų348 Ų483%0.03125%0.253CS..  trans-74.2-167.2164.600000111.6R289 G290 Q298 L321R289-G319 WeakPolarHBondContact O-CA 3.21Å; G290-G319 WeakPolarHBondContact O-CA 3.33Å; G290-G319 PolarHBondContact O-N 2.87Å; Q298-G319 PolarHBondContact NE2-O 2.83Å; G319-L321 PolarHBondContact O-N 3.37Å
320N92.2Very high95.7Very high102 Ų10253.9 Ų53.955%0.54527%0.271SS..SBendtrans-52.4140.1175.8-69.86000111.8Q298 S322Q298-N320 PolarHBondContact NE2-O 2.89Å; N320-S322 PolarHBondContact O-N 2.79Å
321L94.6Very high96Very high54 Ų5452.4 Ų52.428%0.28325%0.252SS..PPolyproline II helixtrans-75.1127.1179.8-59.6-178.5000110.3F302 V318 G319 V326 L329 F342 L374F302-L321 HydrophobicContact CE2-CD2 3.91Å; F302-L321 HydrophobicContact CZ-CD2 3.78Å; V318-L321 HydrophobicContact CG2-CD2 4.25Å; G319-L321 PolarHBondContact O-N 3.37Å; L321-V326 HydrophobicContact CB-CG2 3.87Å; L321-V326 HydrophobicContact CD1-CG2 4.3Å; L321-L329 HydrophobicContact CD1-CD1 3.93Å; L321-F342 HydrophobicContact CD1-CD1 4.39Å; L321-F342 HydrophobicContact CD1-CE1 3.87Å; L321-F342 HydrophobicContact CD1-CE2 4.39Å; L321-F342 HydrophobicContact CD1-CZ 3.89Å; L321-F342 HydrophobicContact CD2-CE1 4.01Å; L321-F342 HydrophobicContact CD2-CZ 4.45Å; L321-F342 HydrophobicContact CG-CE1 4.43Å; L321-L374 HydrophobicContact CG-CD2 4.4Å
322S93.8Very high96.4Very high35 Ų3544 Ų4425%0.24522%0.221CC..PPolyproline II helixtrans-70.1158.5168.480.80000110.9N320 Y324 S325 V326N320-S322 PolarHBondContact O-N 2.79Å; S322-Y324 PolarHBondContact O-N 2.74Å; S322-Y324 PolarHBondContact OG-N 3.12Å; S322-S325 WeakPolarHBondContact O-CA 3.33Å; S322-S325 WeakPolarHBondContact O-CB 3.49Å; S322-S325 PolarHBondContact O-N 3.27Å; S322-S325 PolarHBondContact OG-N 3.17Å; S322-S325 PolarHBondContact OG-OG 2.96Å; S322-V326 WeakPolarHBondContact O-CG2 3.35Å; S322-V326 PolarHBondContact O-N 3.14Å
323E95.5Very high96.5Very high166 Ų16645.2 Ų45.278%0.77622%0.224SC*.Hα-helixtrans-57-39.8173.3-173.4-178.5-179.400111.7S325 V326 C327E323-S325 VanDerWaalsContact C-N 3.3Å; E323-S325 PolarHBondContact O-N 2.97Å; E323-V326 PolarHBondContact O-N 3.14Å; E323-C327 WeakPolarHBondContact O-CB 3.39Å; E323-C327 PolarHBondContact O-N 2.74Å
324Y96.5Very high96.5Very high57 Ų5748.4 Ų48.422%0.22423%0.228CC..Hα-helixtrans-61.1-39.6175.7-172.7-103.5000112N12 R14 V15 E97 S299 S322 T328N12-Y324 HydrophobicContact CB-CE2 4.07Å; N12-Y324 VanDerWaalsContact CG-CE2 3.46Å; N12-Y324 WeakPolarHBondContact ND2-CD2 3.24Å; N12-Y324 WeakPolarHBondContact ND2-CE2 3.39Å; N12-Y324 PolarHBondContact ND2-O 3.13Å; R14-Y324 PolarHBondContact NH2-OH 2.89Å; V15-Y324 WeakPolarHBondContact CG2-OH 3.35Å; E97-Y324 WeakPolarHBondContact OE1-CE1 3.46Å; E97-Y324 PolarHBondContact OE1-OH 2.84Å; E97-Y324 PolarHBondContact OE2-OH 3.44Å; S299-Y324 VanDerWaalsContact CB-CE1 3.46Å; S299-Y324 WeakPolarHBondContact OG-CE1 3.3Å; S322-Y324 PolarHBondContact O-N 2.74Å; S322-Y324 PolarHBondContact OG-N 3.12Å; Y324-T328 WeakPolarHBondContact O-CB 3.5Å; Y324-T328 PolarHBondContact O-N 2.98Å; Y324-T328 PolarHBondContact O-OG1 2.86Å
325S96.9Very high96.5Very high1 Ų148.5 Ų48.51%0.00723%0.229CC..Hα-helixtrans-66.3-44.7175.7-55.20000111.7Q298 S322 E323 C327 T328 L329Q298-S325 WeakPolarHBondContact CB-OG 3.43Å; Q298-S325 VanDerWaalsContact OE1-CB 3.31Å; Q298-S325 PolarHBondContact OE1-OG 2.82Å; S322-S325 WeakPolarHBondContact O-CA 3.33Å; S322-S325 WeakPolarHBondContact O-CB 3.49Å; S322-S325 PolarHBondContact O-N 3.27Å; S322-S325 PolarHBondContact OG-N 3.17Å; S322-S325 PolarHBondContact OG-OG 2.96Å; E323-S325 VanDerWaalsContact C-N 3.3Å; E323-S325 PolarHBondContact O-N 2.97Å; S325-C327 PolarHBondContact O-N 2.81Å; S325-T328 WeakPolarHBondContact O-CB 3.5Å; S325-T328 PolarHBondContact O-N 2.84Å; S325-T328 VanDerWaalsContact O-N 3.16Å; S325-L329 WeakPolarHBondContact O-CG 3.49Å; S325-L329 PolarHBondContact O-N 3.26Å
326V97.8Very high96.5Very high47 Ų4744.9 Ų44.929%0.28522%0.217SC..Hα-helixtrans-61.7-44.5177.2175.20000111.2L321 S322 E323 T328 L329 R330L321-V326 HydrophobicContact CB-CG2 3.87Å; L321-V326 HydrophobicContact CD1-CG2 4.3Å; S322-V326 WeakPolarHBondContact O-CG2 3.35Å; S322-V326 PolarHBondContact O-N 3.14Å; E323-V326 PolarHBondContact O-N 3.14Å; V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 PolarHBondContact O-N 3.27Å; V326-L329 PolarHBondContact O-N 2.86Å; V326-R330 WeakPolarHBondContact O-CG 3.35Å; V326-R330 PolarHBondContact O-N 2.97Å; V326-R330 VanDerWaalsContact O-N 3.15Å
327C97.8Very high96.5Very high34 Ų3447.6 Ų47.623%0.2325%0.245CC..Hα-helixtrans-61.6-40.6174.4-75.90000111.8N12 E323 S325 R330 L331N12-C327 VanDerWaalsContact OD1-CB 3.27Å; N12-C327 WeakPolarHBondContact OD1-CB 3.49Å; E323-C327 WeakPolarHBondContact O-CB 3.39Å; E323-C327 PolarHBondContact O-N 2.74Å; S325-C327 PolarHBondContact O-N 2.81Å; C327-R330 PolarHBondContact O-N 2.85Å; C327-L331 WeakPolarHBondContact O-CG 3.12Å; C327-L331 PolarHBondContact O-N 3.07Å
328T98.5Very high96.6Very high0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-60.6-44.5175.4-61.70000112N12 V15 V303 Y324 S325 V326 R330 L331 I332N12-T328 PolarHBondContact ND2-OG1 3.38Å; V15-T328 HydrophobicContact CG1-CG2 4.03Å; V303-T328 HydrophobicContact CG2-CG2 3.83Å; Y324-T328 WeakPolarHBondContact O-CB 3.5Å; Y324-T328 PolarHBondContact O-N 2.98Å; Y324-T328 PolarHBondContact O-OG1 2.86Å; S325-T328 WeakPolarHBondContact O-CB 3.5Å; S325-T328 PolarHBondContact O-N 2.84Å; S325-T328 VanDerWaalsContact O-N 3.16Å; V326-T328 VanDerWaalsContact C-N 3.32Å; V326-T328 PolarHBondContact O-N 3.27Å; T328-R330 VanDerWaalsContact C-N 3.34Å; T328-R330 PolarHBondContact O-N 3.3Å; T328-L331 WeakPolarHBondContact O-CB 3.33Å; T328-L331 PolarHBondContact O-N 3.02Å; T328-L331 VanDerWaalsContact O-N 3.12Å; T328-I332 HydrophobicContact CG2-CD1 3.9Å; T328-I332 HydrophobicContact CG2-CG1 4.42Å; T328-I332 WeakPolarHBondContact O-CG1 3.44Å; T328-I332 PolarHBondContact O-N 3.46Å
329L98.4Very high96.6Very high23 Ų2352.3 Ų52.312%0.1227%0.273CS..Hα-helixtrans-59.9-42.5176.6-69164.2000112.3F302 L321 S325 V326 L331 I332 Q333 F340 F342F302-L329 HydrophobicContact CB-CD2 4.17Å; F302-L329 HydrophobicContact CD2-CD1 4.32Å; F302-L329 HydrophobicContact CD2-CD2 3.72Å; F302-L329 HydrophobicContact CD2-CG 3.9Å; F302-L329 HydrophobicContact CE2-CD1 4.12Å; F302-L329 HydrophobicContact CE2-CD2 4.2Å; F302-L329 HydrophobicContact CE2-CG 4.22Å; F302-L329 HydrophobicContact CG-CD2 3.91Å; L321-L329 HydrophobicContact CD1-CD1 3.93Å; S325-L329 WeakPolarHBondContact O-CG 3.49Å; S325-L329 PolarHBondContact O-N 3.26Å; V326-L329 PolarHBondContact O-N 2.86Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 3.15Å; L329-I332 PolarHBondContact O-N 3.47Å; L329-Q333 PolarHBondContact O-N 3.48Å; L329-F340 HydrophobicContact CD2-CB 3.99Å; L329-F340 HydrophobicContact CD2-CD1 4.03Å; L329-F340 HydrophobicContact CD2-CD2 3.61Å; L329-F340 HydrophobicContact CD2-CE1 4.44Å; L329-F340 HydrophobicContact CD2-CE2 4.07Å; L329-F340 HydrophobicContact CD2-CG 3.59Å; L329-F340 HydrophobicContact CD2-CZ 4.46Å; L329-F342 HydrophobicContact CD1-CE2 3.87Å; L329-F342 HydrophobicContact CD1-CZ 3.53Å; L329-F342 HydrophobicContact CD2-CE2 4.48Å; L329-F342 HydrophobicContact CD2-CZ 4.12Å; L329-F342 HydrophobicContact CG-CZ 4.49Å
330R98.1Very high96.9Very high157 Ų15753.2 Ų53.259%0.59228%0.277SS*.Hα-helixtrans-63.3-37.6175.1-67.8173.2179.6164.2-0.4112.1V326 C327 T328 K334V326-R330 WeakPolarHBondContact O-CG 3.35Å; V326-R330 PolarHBondContact O-N 2.97Å; V326-R330 VanDerWaalsContact O-N 3.15Å; C327-R330 PolarHBondContact O-N 2.85Å; T328-R330 VanDerWaalsContact C-N 3.34Å; T328-R330 PolarHBondContact O-N 3.3Å; R330-K334 WeakPolarHBondContact O-CG 3.37Å; R330-K334 PolarHBondContact O-N 3.29Å
331L98.4Very high97.2Very high12 Ų1252.4 Ų52.46%0.06327%0.272CS..Hα-helixtrans-67.5-44.9175.9-67.6172.4000111.2L7 N12 V15 K16 L19 C327 T328 L329 Q333 K334 F335L7-L331 HydrophobicContact CD1-CD2 3.45Å; L7-L331 VanDerWaalsContact CD1-CD2 3.45Å; L7-L331 HydrophobicContact CD2-CD2 4.41Å; N12-L331 HydrophobicContact CB-CD1 3.65Å; V15-L331 HydrophobicContact CB-CD1 4.12Å; V15-L331 HydrophobicContact CG1-CB 4.49Å; V15-L331 HydrophobicContact CG1-CD1 3.87Å; K16-L331 HydrophobicContact CG-CD1 3.78Å; K16-L331 HydrophobicContact CG-CD2 3.8Å; K16-L331 HydrophobicContact CG-CG 4.47Å; L19-L331 HydrophobicContact CD1-CB 3.77Å; C327-L331 WeakPolarHBondContact O-CG 3.12Å; C327-L331 PolarHBondContact O-N 3.07Å; T328-L331 WeakPolarHBondContact O-CB 3.33Å; T328-L331 PolarHBondContact O-N 3.02Å; T328-L331 VanDerWaalsContact O-N 3.12Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 3.15Å; L331-Q333 VanDerWaalsContact C-N 3.3Å; L331-Q333 PolarHBondContact O-N 3.17Å; L331-K334 PolarHBondContact O-N 2.88Å; L331-K334 VanDerWaalsContact O-N 3.1Å; L331-F335 HydrophobicContact CB-CD2 4.48Å; L331-F335 HydrophobicContact CD2-CE2 4.33Å; L331-F335 WeakPolarHBondContact O-CD2 3.22Å; L331-F335 PolarHBondContact O-N 2.56Å
332I98.3Very high97.2Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-54.7-47.9175.7-72.9165000110.6L19 F302 V303 A306 T328 L329 K334 F335 L336 G337 V338 F340L19-I332 HydrophobicContact CD1-CG1 4.3Å; F302-I332 HydrophobicContact CB-CD1 3.75Å; V303-I332 HydrophobicContact CG2-CD1 4.15Å; V303-I332 HydrophobicContact CG2-CG1 4.36Å; A306-I332 HydrophobicContact CB-CD1 4.32Å; A306-I332 HydrophobicContact CB-CG1 4.37Å; A306-I332 HydrophobicContact CB-CG2 3.42Å; A306-I332 VanDerWaalsContact CB-CG2 3.42Å; T328-I332 HydrophobicContact CG2-CD1 3.9Å; T328-I332 HydrophobicContact CG2-CG1 4.42Å; T328-I332 WeakPolarHBondContact O-CG1 3.44Å; T328-I332 PolarHBondContact O-N 3.46Å; L329-I332 PolarHBondContact O-N 3.47Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 3.18Å; I332-F335 PolarHBondContact O-N 2.9Å; I332-L336 HydrophobicContact CG2-CD1 4.43Å; I332-L336 WeakPolarHBondContact O-CA 3.43Å; I332-L336 WeakPolarHBondContact O-CB 3.22Å; I332-L336 PolarHBondContact O-N 2.93Å; I332-G337 PolarHBondContact O-N 3.36Å; I332-V338 HydrophobicContact CG2-CB 3.89Å; I332-V338 HydrophobicContact CG2-CG1 4.35Å; I332-F340 HydrophobicContact CD1-CE2 4.33Å; I332-F340 HydrophobicContact CG2-CE2 4.09Å
333Q97.8Very high97.3Very high104 Ų10456.1 Ų56.149%0.48628%0.283SS..Hα-helixtrans-59.3-42.2177.8-168.7-176.626.100112L329 L331 G337 V338L329-Q333 PolarHBondContact O-N 3.48Å; L331-Q333 VanDerWaalsContact C-N 3.3Å; L331-Q333 PolarHBondContact O-N 3.17Å; Q333-G337 WeakPolarHBondContact O-CA 3.47Å; Q333-G337 PolarHBondContact O-N 3.44Å; Q333-V338 WeakPolarHBondContact CA-O 3.33Å
334K96.9Very high97.1Very high117 Ų11755.4 Ų55.451%0.50928%0.275SS..Hα-helixtrans-69.3-41.7179.4-72.2-177179.3-171.50113.4I5 L7 R330 L331 I332I5-K334 WeakPolarHBondContact CD1-O 3.41Å; L7-K334 HydrophobicContact CD2-CD 3.59Å; R330-K334 WeakPolarHBondContact O-CG 3.37Å; R330-K334 PolarHBondContact O-N 3.29Å; L331-K334 PolarHBondContact O-N 2.88Å; L331-K334 VanDerWaalsContact O-N 3.1Å; I332-K334 VanDerWaalsContact C-N 3.32Å; I332-K334 PolarHBondContact O-N 3.18Å
335F97.5Very high96.6Very high1 Ų157.7 Ų57.70%0.00429%0.287CS..Hα-helixtrans-84-41-176.3-81.2-84.3000112.8I5 L7 L19 K25 L27 L331 I332I5-F335 HydrophobicContact CB-CD1 4.45Å; I5-F335 HydrophobicContact CB-CE1 3.93Å; I5-F335 HydrophobicContact CB-CZ 4.12Å; I5-F335 HydrophobicContact CG1-CD1 3.88Å; I5-F335 HydrophobicContact CG1-CE1 3.83Å; I5-F335 HydrophobicContact CG1-CZ 4.43Å; I5-F335 HydrophobicContact CG2-CD2 4.47Å; I5-F335 HydrophobicContact CG2-CE1 4Å; I5-F335 HydrophobicContact CG2-CE2 3.97Å; I5-F335 HydrophobicContact CG2-CZ 3.72Å; L7-F335 HydrophobicContact CD1-CE2 3.77Å; L7-F335 HydrophobicContact CD1-CZ 4.2Å; L19-F335 HydrophobicContact CB-CB 3.97Å; L19-F335 HydrophobicContact CB-CD1 4.07Å; L19-F335 HydrophobicContact CB-CD2 3.78Å; L19-F335 HydrophobicContact CB-CE1 4.48Å; L19-F335 HydrophobicContact CB-CE2 4.21Å; L19-F335 HydrophobicContact CB-CG 3.69Å; L19-F335 HydrophobicContact CD1-CB 4.28Å; L19-F335 HydrophobicContact CD1-CD2 3.86Å; L19-F335 HydrophobicContact CD1-CG 4.31Å; L19-F335 HydrophobicContact CG-CD2 4.5Å; K25-F335 HydrophobicContact CB-CD1 4.34Å; K25-F335 WeakPolarHBondContact CD-O 3.23Å; K25-F335 VanDerWaalsContact CE-O 3.24Å; K25-F335 WeakPolarHBondContact CE-O 3.42Å; K25-F335 PolarHBondContact NZ-O 3.15Å; L27-F335 HydrophobicContact CD1-CZ 3.83Å; L27-F335 HydrophobicContact CD2-CZ 4.31Å; L27-F335 HydrophobicContact CG-CZ 4.44Å; L331-F335 HydrophobicContact CB-CD2 4.48Å; L331-F335 HydrophobicContact CD2-CE2 4.33Å; L331-F335 WeakPolarHBondContact O-CD2 3.22Å; L331-F335 PolarHBondContact O-N 2.56Å; I332-F335 PolarHBondContact O-N 2.9Å
336L96.4Very high95.8Very high28 Ų2860.8 Ų60.815%0.14731%0.309CS..Hα-helixtrans-110.2-14.1-171.7-60.7175.9000113.4L19 A306 I332 V338 A381 V383L19-L336 HydrophobicContact CD2-CD1 4.05Å; L19-L336 HydrophobicContact CD2-CG 4.46Å; A306-L336 HydrophobicContact CB-CD1 3.79Å; I332-L336 HydrophobicContact CG2-CD1 4.43Å; I332-L336 WeakPolarHBondContact O-CA 3.43Å; I332-L336 WeakPolarHBondContact O-CB 3.22Å; I332-L336 PolarHBondContact O-N 2.93Å; L336-V338 HydrophobicContact CB-CB 4.47Å; L336-V338 HydrophobicContact CB-CG2 4.01Å; L336-V338 PolarHBondContact O-N 3.41Å; L336-A381 HydrophobicContact CB-CB 4.11Å; L336-A381 HydrophobicContact CD2-CB 4.43Å; L336-V383 HydrophobicContact CD2-CG2 4.17Å
337G96.3Very high94.2Very high56 Ų5662.1 Ų62.158%0.57731%0.312SS*.  trans73.35.8-174.400000113.7I332 Q333I332-G337 PolarHBondContact O-N 3.36Å; Q333-G337 WeakPolarHBondContact O-CA 3.47Å; Q333-G337 PolarHBondContact O-N 3.44Å
338V97.6Very high92Very high11 Ų1167.1 Ų67.17%0.06734%0.337CS..  trans-81.2129.5-178.8175.70000109.7A306 I332 Q333 L336 F340 C378 F379 A381A306-V338 HydrophobicContact CB-CB 4.18Å; A306-V338 HydrophobicContact CB-CG1 4.08Å; A306-V338 HydrophobicContact CB-CG2 4.31Å; I332-V338 HydrophobicContact CG2-CB 3.89Å; I332-V338 HydrophobicContact CG2-CG1 4.35Å; Q333-V338 WeakPolarHBondContact CA-O 3.33Å; L336-V338 HydrophobicContact CB-CB 4.47Å; L336-V338 HydrophobicContact CB-CG2 4.01Å; L336-V338 PolarHBondContact O-N 3.41Å; V338-F340 HydrophobicContact CG1-CD2 4.2Å; V338-F340 HydrophobicContact CG1-CE2 3.9Å; V338-C378 HydrophobicContact CG1-CB 3.84Å; V338-F379 WeakPolarHBondContact CG1-O 3.4Å; V338-A381 HydrophobicContact CG2-CB 3.71Å
339T97.6Very high89.4Confident90 Ų9071.6 Ų71.655%0.55236%0.36SS*.  trans-110.7132.8175-57.40000109.1
340F98.2Very high86.4Confident23 Ų2378.1 Ų78.110%0.10140%0.395CS..  trans-93.1135.7174.5-79.4-110.7000109.7F302 M305 A306 L329 I332 V338 F342 A376 T377 C378F302-F340 HydrophobicContact CB-CE1 4.31Å; F302-F340 HydrophobicContact CB-CZ 4.04Å; F302-F340 HydrophobicContact CD1-CD1 4.31Å; F302-F340 AromaticContact CD1-CE1 3.74Å; F302-F340 HydrophobicContact CD1-CE1 3.74Å; F302-F340 HydrophobicContact CD1-CZ 4.33Å; F302-F340 HydrophobicContact CE1-CE1 4.46Å; F302-F340 HydrophobicContact CG-CE1 4.28Å; F302-F340 HydrophobicContact CG-CZ 4.49Å; F302-F340 WeakPolarHBondContact O-CZ 3.38Å; M305-F340 HydrophobicContact CB-CE1 4.25Å; M305-F340 HydrophobicContact CB-CZ 4.02Å; M305-F340 HydrophobicContact CE-CE1 3.93Å; M305-F340 HydrophobicContact SD-CE1 4.08Å; A306-F340 HydrophobicContact CB-CE2 4.15Å; A306-F340 HydrophobicContact CB-CZ 4.4Å; L329-F340 HydrophobicContact CD2-CB 3.99Å; L329-F340 HydrophobicContact CD2-CD1 4.03Å; L329-F340 HydrophobicContact CD2-CD2 3.61Å; L329-F340 HydrophobicContact CD2-CE1 4.44Å; L329-F340 HydrophobicContact CD2-CE2 4.07Å; L329-F340 HydrophobicContact CD2-CG 3.59Å; L329-F340 HydrophobicContact CD2-CZ 4.46Å; I332-F340 HydrophobicContact CD1-CE2 4.33Å; I332-F340 HydrophobicContact CG2-CE2 4.09Å; V338-F340 HydrophobicContact CG1-CD2 4.2Å; V338-F340 HydrophobicContact CG1-CE2 3.9Å; F340-F342 HydrophobicContact CB-CD2 4.29Å; F340-F342 HydrophobicContact CB-CE2 3.51Å; F340-F342 HydrophobicContact CB-CZ 3.92Å; F340-F342 HydrophobicContact CD1-CZ 4.48Å; F340-A376 HydrophobicContact CD1-CB 4.27Å; F340-T377 CarbonylContact C-O 3.59Å; F340-T377 WeakPolarHBondContact CA-O 3.17Å; F340-C378 HydrophobicContact CD1-CB 3.85Å; F340-C378 HydrophobicContact CD2-CB 3.91Å; F340-C378 HydrophobicContact CE1-CB 3.83Å; F340-C378 VanDerWaalsContact CE1-SG 3.56Å; F340-C378 HydrophobicContact CE2-CB 3.87Å; F340-C378 HydrophobicContact CG-CB 3.9Å; F340-C378 HydrophobicContact CZ-CB 3.84Å; F340-C378 WeakPolarHBondContact CZ-SG 3.38Å
341N97.6Very high83.4Confident85 Ų8575.7 Ų75.746%0.45539%0.392SS..EExtended strand (participates in β ladder)trans-101.7136.7169.6-160.1-17.5000109.5H343 T377N341-H343 PolarHBondContact ND2-NE2 3.5Å; N341-H343 PolarHBondContact OD1-CE1 2.65Å; N341-H343 PolarHBondContact OD1-NE2 3.36Å; N341-T377 PolarHBondContact N-O 2.99Å; N341-T377 PolarHBondContact O-N 3.45Å
342F96.4Very high80.1Confident59 Ų5984.9 Ų84.926%0.25943%0.432SS..EExtended strand (participates in β ladder)trans-122.7119.4-176.9-70.8-85.7000109.1F302 L321 L329 F340 L374 V375 A376F302-F342 HydrophobicContact CZ-CE1 4.43Å; L321-F342 HydrophobicContact CD1-CD1 4.39Å; L321-F342 HydrophobicContact CD1-CE1 3.87Å; L321-F342 HydrophobicContact CD1-CE2 4.39Å; L321-F342 HydrophobicContact CD1-CZ 3.89Å; L321-F342 HydrophobicContact CD2-CE1 4.01Å; L321-F342 HydrophobicContact CD2-CZ 4.45Å; L321-F342 HydrophobicContact CG-CE1 4.43Å; L329-F342 HydrophobicContact CD1-CE2 3.87Å; L329-F342 HydrophobicContact CD1-CZ 3.53Å; L329-F342 HydrophobicContact CD2-CE2 4.48Å; L329-F342 HydrophobicContact CD2-CZ 4.12Å; L329-F342 HydrophobicContact CG-CZ 4.49Å; F340-F342 HydrophobicContact CB-CD2 4.29Å; F340-F342 HydrophobicContact CB-CE2 3.51Å; F340-F342 HydrophobicContact CB-CZ 3.92Å; F340-F342 HydrophobicContact CD1-CZ 4.48Å; F342-L374 HydrophobicContact CB-CD1 3.99Å; F342-L374 HydrophobicContact CD1-CD1 4.25Å; F342-L374 HydrophobicContact CD1-CD2 4.11Å; F342-L374 HydrophobicContact CD1-CG 4.11Å; F342-V375 WeakPolarHBondContact CA-O 3.34Å; F342-A376 HydrophobicContact CD1-CB 3.93Å; F342-A376 HydrophobicContact CE1-CB 3.47Å; F342-A376 VanDerWaalsContact CE1-CB 3.47Å; F342-A376 HydrophobicContact CZ-CB 4.15Å
343H94.3Very high76.9Confident107 Ų10788.5 Ų88.550%0.49545%0.45SS..EExtended strand (participates in β ladder)trans-130144.9176.8-64.6-60.3000110.5N341 V375N341-H343 PolarHBondContact ND2-NE2 3.5Å; N341-H343 PolarHBondContact OD1-CE1 2.65Å; N341-H343 PolarHBondContact OD1-NE2 3.36Å; H343-V375 PolarHBondContact N-O 2.79Å; H343-V375 VanDerWaalsContact N-O 3.16Å; H343-V375 PolarHBondContact O-N 3.38Å
344Y92.1Very high74Confident152 Ų15287.2 Ų87.260%0.59645%0.453SS*.EExtended strand (participates in β ladder)trans-82.6123.1168.3-73.8-76.5000109.5K372 I373 L374Y344-K372 HydrophobicContact CD1-CB 3.92Å; Y344-K372 HydrophobicContact CG-CB 4.41Å; Y344-I373 WeakPolarHBondContact CA-O 3.19Å; Y344-L374 HydrophobicContact CD1-CB 4.35Å; Y344-L374 HydrophobicContact CD1-CD1 4.34Å; Y344-L374 HydrophobicContact CD2-CD1 4.48Å; Y344-L374 HydrophobicContact CE1-CB 4.06Å; Y344-L374 HydrophobicContact CE1-CD1 4.11Å; Y344-L374 HydrophobicContact CE2-CD1 4.25Å
345Q86Confident71Confident105 Ų10590.4 Ų90.449%0.49147%0.47SS..EExtended strand (participates in β ladder)trans-109.1129.5173.3-174.3172.3-11.600109.1I373 V375Q345-I373 PolarHBondContact N-O 2.96Å; Q345-I373 PolarHBondContact O-N 3.47Å; Q345-V375 HydrophobicContact CB-CG2 4.07Å
346S79.3Confident68.2Low65 Ų6598.7 Ų98.746%0.45551%0.509SS..EExtended strand (participates in β ladder)trans-66.3135.9171.1-59.30000109.7N348S346-N348 PolarHBondContact O-N 2.73Å
347Q64.3Low65.5Low76 Ų76101.3 Ų101.336%0.35552%0.523SS..  trans-6881.9162.4-73.4-176.712.600108.7N349 S371 I373Q347-N349 PolarHBondContact O-N 2.83Å; Q347-S371 PolarHBondContact N-O 3.03Å; Q347-S371 PolarHBondContact OE1-OG 2.68Å; Q347-I373 HydrophobicContact CG-CD1 3.4Å; Q347-I373 HydrophobicContact CG-CG1 3.78Å
348N52.3Low62.9Low139 Ų139103.1 Ų103.174%0.74352%0.522SS*.  trans-69.3107.5163.2-79.64.4000106.3S346 L350S346-N348 PolarHBondContact O-N 2.73Å; N348-L350 PolarHBondContact O-N 2.96Å
349N43.7Very low59.8Low93 Ų93110.8 Ų110.850%0.49756%0.558SS.*  trans-36.4104.3176-78.8-30.2000111.3Q347 I351Q347-N349 PolarHBondContact O-N 2.83Å; N349-I351 HydrophobicContact CB-CB 4.25Å; N349-I351 HydrophobicContact CB-CG1 4.35Å; N349-I351 PolarHBondContact O-N 2.91Å; N349-I351 VanDerWaalsContact O-N 3.14Å
350L35.7Very low56.8Low161 Ų161110.4 Ų110.484%0.84356%0.564SS**  trans-69.99159.3-109.2133.6000111.7N348 K352N348-L350 PolarHBondContact O-N 2.96Å; L350-K352 PolarHBondContact O-N 2.73Å
351I35.2Very low53.7Low106 Ų106113.4 Ų113.454%0.54458%0.58SS.*  trans-71.192.1156.7-42.9176.3000105.4N349 L353N349-I351 HydrophobicContact CB-CB 4.25Å; N349-I351 HydrophobicContact CB-CG1 4.35Å; N349-I351 PolarHBondContact O-N 2.91Å; N349-I351 VanDerWaalsContact O-N 3.14Å; I351-L353 HydrophobicContact CB-CG 4.26Å; I351-L353 HydrophobicContact CG2-CD2 3.63Å; I351-L353 HydrophobicContact CG2-CG 3.69Å; I351-L353 PolarHBondContact O-N 3.17Å
352K28.7Very low50.5Low204 Ų204116.8 Ų116.889%0.88759%0.591SS**  trans-5585.3146.6-71.4-178.2178.1-177.90105.6L350 S354L350-K352 PolarHBondContact O-N 2.73Å; K352-S354 PolarHBondContact O-N 2.69Å; K352-S354 VanDerWaalsContact O-N 3.09Å
353L30.3Very low47.4Very low76 Ų76121.8 Ų121.840%0.39862%0.62SS.*  trans-61.4111.9164.2-70.9162.2000103.5I351 E355 D357I351-L353 HydrophobicContact CB-CG 4.26Å; I351-L353 HydrophobicContact CG2-CD2 3.63Å; I351-L353 HydrophobicContact CG2-CG 3.69Å; I351-L353 PolarHBondContact O-N 3.17Å; L353-E355 PolarHBondContact O-N 2.76Å; L353-D357 HydrophobicContact CD2-CB 3.87Å
354S36.8Very low44.4Very low77 Ų77121.9 Ų121.954%0.53862%0.621SS.*  trans-48.6138.3158.634.10000107.2K352 E356 D357K352-S354 PolarHBondContact O-N 2.69Å; K352-S354 VanDerWaalsContact O-N 3.09Å; S354-E356 PolarHBondContact O-N 2.81Å; S354-D357 PolarHBondContact O-N 3.3Å; S354-D357 VanDerWaalsContact O-N 3.09Å
355E35.5Very low41.6Very low184 Ų184118.1 Ų118.186%0.8662%0.617SS**G310 helixtrans-55.4-9-169-66.3175.3157.800114.4L353L353-E355 PolarHBondContact O-N 2.76Å
356E38.8Very low39Very low176 Ų176119.9 Ų119.982%0.82263%0.63SS**G310 helixtrans-80-20.9178.2-61.3-176.8169.600114.6S354S354-E356 PolarHBondContact O-N 2.81Å
357D39.2Very low37.2Very low82 Ų82123.7 Ų123.744%0.43964%0.644SS.*G310 helixtrans-90.30.9-178.8-74.6-29.3000114.2L353 S354 E359L353-D357 HydrophobicContact CD2-CB 3.87Å; S354-D357 PolarHBondContact O-N 3.3Å; S354-D357 VanDerWaalsContact O-N 3.09Å; D357-E359 VanDerWaalsContact C-N 3.3Å; D357-E359 PolarHBondContact O-N 3.49Å
358V40.9Very low36.2Very low95 Ų95124.5 Ų124.558%0.57665%0.651SS**G310 helixtrans-70.6-25.3-176.6179.60000112.2
359E32.4Very low35.6Very low172 Ų172121.7 Ų121.780%0.80464%0.642SS**THydrogen-bonded Turntrans-86.2-21.9-176.2-68.1-166.3152.600114.2D357D357-E359 VanDerWaalsContact C-N 3.3Å; D357-E359 PolarHBondContact O-N 3.49Å
360A35Very low36Very low82 Ų82123.2 Ų123.268%0.67865%0.65SS**THydrogen-bonded Turntrans-83.5-22.7-176.800000114.1
361N32.8Very low37.5Very low85 Ų85117.9 Ų117.946%0.45563%0.626SS.*  trans-109.933.8-169.3-77.6-24.9000115N363N361-N363 PolarHBondContact O-N 2.79Å
362K31.1Very low39.8Very low157 Ų157118.6 Ų118.668%0.68363%0.625SS**THydrogen-bonded Turntrans-67-21.3172.1-79.1-178.5177.8170.20113.8S365K362-S365 PolarHBondContact O-OG 3.13Å; K362-S365 VanDerWaalsContact O-OG 3.12Å
363N31Very low42.6Very low163 Ų163110 Ų11087%0.87259%0.588SS**THydrogen-bonded Turntrans-96.6-2.3-176.6-69-8.1000114.9N361N361-N363 PolarHBondContact O-N 2.79Å
364E32.3Very low45.6Very low109 Ų109107.2 Ų107.251%0.50957%0.574SS.*SBendtrans-105.45.3175.5-73.5-165.5161.600113.6D366 I367E364-D366 VanDerWaalsContact C-N 3.31Å; E364-D366 PolarHBondContact O-N 2.81Å; E364-I367 PolarHBondContact O-N 3Å
365S31.9Very low48.5Very low73 Ų73104 Ų10451%0.5155%0.551SS.*THydrogen-bonded Turntrans-64.9-29.2-174.651.10000113.9K362K362-S365 PolarHBondContact O-OG 3.13Å; K362-S365 VanDerWaalsContact O-OG 3.12Å
366D31.7Very low51.4Low143 Ų14395.2 Ų95.277%0.76551%0.51SS*.THydrogen-bonded Turntrans-80.8-26.4-177.6-74.8-25.5000114E364 S369E364-D366 VanDerWaalsContact C-N 3.31Å; E364-D366 PolarHBondContact O-N 2.81Å; D366-S369 PolarHBondContact O-OG 3.01Å
367I42.5Very low54.2Low145 Ų14588.6 Ų88.674%0.74448%0.482SS*.THydrogen-bonded Turntrans-84.6-32.7-176.2-60.5174.4000111.6E364E364-I367 PolarHBondContact O-N 3Å
368N43Very low57Low93 Ų9384.8 Ų84.850%0.49746%0.462SS..G310 helixtrans-84.6-8.8-175.4-79.8-27.1000114.8N370N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 2.89Å
369S39.7Very low59.7Low79 Ų7986.7 Ų86.755%0.55246%0.462SS*.G310 helixtrans-73.5-12.8-174.366.50000114.8D366D366-S369 PolarHBondContact O-OG 3.01Å
370N51.2Low62.7Low126 Ų12678.9 Ų78.967%0.67443%0.428SS*.G310 helixtrans-1218.5-168.4-94.2-20.6000116.5N368 K372N368-N370 VanDerWaalsContact C-N 3.27Å; N368-N370 PolarHBondContact O-N 2.89Å; N370-K372 PolarHBondContact O-N 3.39Å
371S67.7Low65.6Low49 Ų4976.2 Ų76.234%0.34341%0.406SS..  trans-7769.6175.557.70000111.9Q347Q347-S371 PolarHBondContact N-O 3.03Å; Q347-S371 PolarHBondContact OE1-OG 2.68Å
372K82.7Confident68.5Low121 Ų12173.2 Ų73.253%0.52640%0.395SS..EExtended strand (participates in β ladder)trans-75.4124.5171.2-67.7-179.2-177.3176.50109.5Y344 N370Y344-K372 HydrophobicContact CD1-CB 3.92Å; Y344-K372 HydrophobicContact CG-CB 4.41Å; N370-K372 PolarHBondContact O-N 3.39Å
373I88.2Confident71.5Confident22 Ų2266.8 Ų66.811%0.11337%0.369CS..EExtended strand (participates in β ladder)trans-93.6137.4173.4-54.4164.3000108.4V184 A317 Y344 Q345 Q347V184-I373 HydrophobicContact CB-CD1 3.65Å; V184-I373 HydrophobicContact CB-CG1 4.42Å; V184-I373 HydrophobicContact CG2-CD1 3.61Å; V184-I373 HydrophobicContact CG2-CG1 4.27Å; V184-I373 HydrophobicContact CG2-CG2 4.09Å; A317-I373 HydrophobicContact CB-CG2 3.65Å; Y344-I373 WeakPolarHBondContact CA-O 3.19Å; Q345-I373 PolarHBondContact N-O 2.96Å; Q345-I373 PolarHBondContact O-N 3.47Å; Q347-I373 HydrophobicContact CG-CD1 3.4Å; Q347-I373 HydrophobicContact CG-CG1 3.78Å
374L94.2Very high74.3Confident19 Ų1965.4 Ų65.410%0.09936%0.357CS..EExtended strand (participates in β ladder)trans-81.1119.2169.6-175.664.7000109.8V318 L321 F342 Y344V318-L374 HydrophobicContact CG2-CB 4.43Å; V318-L374 HydrophobicContact CG2-CD2 4.13Å; V318-L374 HydrophobicContact CG2-CG 4.17Å; V318-L374 PolarHBondContact N-O 3.12Å; V318-L374 WeakPolarHBondContact O-CB 3.48Å; V318-L374 VanDerWaalsContact O-O 3.13Å; L321-L374 HydrophobicContact CG-CD2 4.4Å; F342-L374 HydrophobicContact CB-CD1 3.99Å; F342-L374 HydrophobicContact CD1-CD1 4.25Å; F342-L374 HydrophobicContact CD1-CD2 4.11Å; F342-L374 HydrophobicContact CD1-CG 4.11Å; Y344-L374 HydrophobicContact CD1-CB 4.35Å; Y344-L374 HydrophobicContact CD1-CD1 4.34Å; Y344-L374 HydrophobicContact CD2-CD1 4.48Å; Y344-L374 HydrophobicContact CE1-CB 4.06Å; Y344-L374 HydrophobicContact CE1-CD1 4.11Å; Y344-L374 HydrophobicContact CE2-CD1 4.25Å
375V96.1Very high77.1Confident9 Ų960.7 Ų60.76%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-106.3120.5177.5-178.40000109.4I182 R315 F342 H343 Q345I182-V375 HydrophobicContact CG2-CG1 4.13Å; R315-V375 HydrophobicContact CB-CG1 4.35Å; F342-V375 WeakPolarHBondContact CA-O 3.34Å; H343-V375 PolarHBondContact N-O 2.79Å; H343-V375 VanDerWaalsContact N-O 3.16Å; H343-V375 PolarHBondContact O-N 3.38Å; Q345-V375 HydrophobicContact CB-CG2 4.07Å
376A97.3Very high79.6Confident0 Ų063.6 Ų63.60%034%0.344CS..EExtended strand (participates in β ladder)trans-90.2124.4172.600000109.6F302 R315 L316 V318 F340 F342F302-A376 HydrophobicContact CE1-CB 3.93Å; R315-A376 CarbonylContact C-O 3.59Å; R315-A376 WeakPolarHBondContact CA-O 3.39Å; L316-A376 PolarHBondContact N-O 3.35Å; L316-A376 PolarHBondContact O-N 2.98Å; V318-A376 HydrophobicContact CG2-CB 4.22Å; F340-A376 HydrophobicContact CD1-CB 4.27Å; F342-A376 HydrophobicContact CD1-CB 3.93Å; F342-A376 HydrophobicContact CE1-CB 3.47Å; F342-A376 VanDerWaalsContact CE1-CB 3.47Å; F342-A376 HydrophobicContact CZ-CB 4.15Å
377T97.7Very high82Confident36 Ų3658.3 Ų58.322%0.22132%0.316CS..EExtended strand (participates in β ladder)trans-124.9135.6178.7-55.90000110.7S314 R315 F340 N341S314-T377 VanDerWaalsContact O-CA 3.29Å; S314-T377 WeakPolarHBondContact O-CA 3.19Å; R315-T377 HydrophobicContact CG-CG2 4.02Å; F340-T377 CarbonylContact C-O 3.59Å; F340-T377 WeakPolarHBondContact CA-O 3.17Å; N341-T377 PolarHBondContact N-O 2.99Å; N341-T377 PolarHBondContact O-N 3.45Å
378C97.7Very high83.6Confident3 Ų355.5 Ų55.52%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-147.8163.3170.572.70000111.4A313 S314 V338 F340A313-C378 CarbonylContact C-O 3.52Å; A313-C378 WeakPolarHBondContact CA-O 3.34Å; S314-C378 PolarHBondContact N-O 3.47Å; S314-C378 PolarHBondContact O-N 2.96Å; V338-C378 HydrophobicContact CG1-CB 3.84Å; F340-C378 HydrophobicContact CD1-CB 3.85Å; F340-C378 HydrophobicContact CD2-CB 3.91Å; F340-C378 HydrophobicContact CE1-CB 3.83Å; F340-C378 VanDerWaalsContact CE1-SG 3.56Å; F340-C378 HydrophobicContact CE2-CB 3.87Å; F340-C378 HydrophobicContact CG-CB 3.9Å; F340-C378 HydrophobicContact CZ-CB 3.84Å; F340-C378 WeakPolarHBondContact CZ-SG 3.38Å
379F97.5Very high84.6Confident135 Ų13555.4 Ų55.459%0.59230%0.304SS*.EExtended strand (participates in β ladder)trans-99.5135.7164.3-68.7-87.8000109.1N312 A313 V338N312-F379 WeakPolarHBondContact O-CA 3.2Å; A313-F379 HydrophobicContact CB-CD1 4.13Å; A313-F379 HydrophobicContact CB-CE1 3.76Å; A313-F379 HydrophobicContact CB-CZ 4.2Å; V338-F379 WeakPolarHBondContact CG1-O 3.4Å
380G95.4Very high85.7Confident7 Ų759.6 Ų59.67%0.07232%0.319CS..  trans-58.4151.6176.900000112.9N312 G382N312-G380 PolarHBondContact O-N 3.06Å; G380-G382 PolarHBondContact O-N 3.31Å
381A95.8Very high85.5Confident27 Ų2767.9 Ų67.922%0.22334%0.341CS..  trans-72-13.9174.500000113.1A306 L336 V338 V383A306-A381 WeakPolarHBondContact O-CB 3.28Å; A306-A381 PolarHBondContact O-N 3.44Å; L336-A381 HydrophobicContact CB-CB 4.11Å; L336-A381 HydrophobicContact CD2-CB 4.43Å; V338-A381 HydrophobicContact CG2-CB 3.71Å; A381-V383 HydrophobicContact CB-CG2 3.96Å
382G94.4Very high86.4Confident21 Ų2168.8 Ų68.822%0.21634%0.341CS..  trans80.237.1-173.500000112.3E308 S309 G380 Q384E308-G382 VanDerWaalsContact O-CA 3.24Å; E308-G382 WeakPolarHBondContact O-CA 2.84Å; E308-G382 PolarHBondContact O-N 3.04Å; S309-G382 WeakPolarHBondContact O-CA 3.3Å; G380-G382 PolarHBondContact O-N 3.31Å; G382-Q384 PolarHBondContact O-N 3.29Å
383V92.9Very high86.6Confident23 Ų2366.1 Ų66.114%0.13933%0.331CS..  trans-76.6109-179.5-173.60000109I22 F105 C307 E308 S309 L336 A381I22-V383 HydrophobicContact CG2-CG1 3.91Å; F105-V383 HydrophobicContact CD1-CG1 4.02Å; F105-V383 HydrophobicContact CE1-CB 4.22Å; F105-V383 HydrophobicContact CE1-CG1 3.63Å; F105-V383 HydrophobicContact CZ-CG1 4.36Å; C307-V383 HydrophobicContact CB-CB 4.31Å; C307-V383 HydrophobicContact CB-CG2 4.26Å; E308-V383 PolarHBondContact O-N 3.05Å; S309-V383 WeakPolarHBondContact CB-O 3.34Å; L336-V383 HydrophobicContact CD2-CG2 4.17Å; A381-V383 HydrophobicContact CB-CG2 3.96Å
384Q90.4Very high86.5Confident133 Ų13368.5 Ų68.562%0.62134%0.343SS*.BIsolated β-bridgetrans-94.1147.4174.3-65-172.9-4.800110.7G382 I386G382-Q384 PolarHBondContact O-N 3.29Å; Q384-I386 VanDerWaalsContact C-N 3.28Å; Q384-I386 PolarHBondContact O-N 3.23Å
385N90.4Very high86.1Confident10 Ų1071.4 Ų71.45%0.05336%0.357CS..  trans-76.783.8170.3-173.9-8.2000110P104 F105 C106 C173 S174 N387 K388P104-N385 PolarHBondContact O-ND2 3.19Å; F105-N385 PolarHBondContact O-OD1 3.49Å; C106-N385 PolarHBondContact O-ND2 3.27Å; C173-N385 WeakPolarHBondContact O-CB 3.3Å; C173-N385 PolarHBondContact O-ND2 3.14Å; S174-N385 WeakPolarHBondContact O-CB 3.49Å; S174-N385 PolarHBondContact O-N 2.89Å; S174-N385 VanDerWaalsContact O-N 3.12Å; N385-N387 PolarHBondContact O-N 3.04Å; N385-N387 VanDerWaalsContact O-N 3.16Å; N385-N387 WeakPolarHBondContact OD1-CB 3.49Å; N385-N387 PolarHBondContact OD1-N 2.82Å; N385-N387 VanDerWaalsContact OD1-N 3.08Å; N385-K388 HydrophobicContact CB-CB 4.44Å; N385-K388 PolarHBondContact O-N 3.45Å; N385-K388 PolarHBondContact OD1-N 3.32Å
386I84.4Confident85.4Confident135 Ų13575.3 Ų75.369%0.69238%0.376SS*.THydrogen-bonded Turntrans-62.8-15.9176.659.5170.8000113.6Q384Q384-I386 VanDerWaalsContact C-N 3.28Å; Q384-I386 PolarHBondContact O-N 3.23Å
387N82.7Confident84.7Confident32 Ų3280.3 Ų80.317%0.17140%0.401CS..THydrogen-bonded Turntrans-83.3-23.1-176.3-56-43000111.9T76 L77 F105 K107 N385T76-N387 VanDerWaalsContact CG2-OD1 3.24Å; T76-N387 WeakPolarHBondContact CG2-OD1 3.37Å; L77-N387 PolarHBondContact O-ND2 3.29Å; F105-N387 PolarHBondContact O-ND2 3.19Å; K107-N387 HydrophobicContact CB-CB 4Å; K107-N387 VanDerWaalsContact CG-O 3.26Å; K107-N387 WeakPolarHBondContact CG-O 3.22Å; N385-N387 PolarHBondContact O-N 3.04Å; N385-N387 VanDerWaalsContact O-N 3.16Å; N385-N387 WeakPolarHBondContact OD1-CB 3.49Å; N385-N387 PolarHBondContact OD1-N 2.82Å; N385-N387 VanDerWaalsContact OD1-N 3.08Å
388K76.2Confident83.7Confident85 Ų8583.5 Ų83.537%0.3741%0.414SS..SBendtrans-81.8121.6-179-167.9171.7-177173.50109.8P172 N385 I390P172-K388 PolarHBondContact O-NZ 2.81Å; N385-K388 HydrophobicContact CB-CB 4.44Å; N385-K388 PolarHBondContact O-N 3.45Å; N385-K388 PolarHBondContact OD1-N 3.32Å; K388-I390 PolarHBondContact O-N 3.28Å
389S64.3Low82.6Confident91 Ų9189.7 Ų89.764%0.63644%0.444SS*.PPolyproline II helixtrans-63.5120.9172.7-167.70000109.1R391S389-R391 PolarHBondContact O-N 3.21Å
390I63Low81.4Confident167 Ų16785.9 Ų85.986%0.85643%0.432SS*.PPolyproline II helixtrans-66.2116.5160.4-53.7168.8000104.4K388K388-I390 PolarHBondContact O-N 3.28Å
391R47.1Very low80.1Confident300 Ų30093.1 Ų93.1100%1.13247%0.465SS*.  trans-98.50169.3-88.6-169.8176.7177.6-0.7108.7S389S389-R391 PolarHBondContact O-N 3.21Å

Retrieved 391 of 391 residues in 694.4 ms (Link to these results)

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