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ornithine decarboxylase

Catalyzes the first and rate-limiting step of polyamine biosynthesis that converts ornithine into putrescine, which is the precursor for the polyamines, spermidine and spermine. Polyamines are essential for cell proliferation and are implicated in cellular processes, ranging from DNA replication to apoptosis.

AlphaFold DB , UniProt , Accession A0A077Z655, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 374 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
1M44.4Very low67.7Low137 Ų13764.9 Ų64.968%0.67537%0.374SS*.  0124.90-64-178.3-146.900106.3D3 L8 F362M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-O 3.46Å; M1-L8 HydrophobicContact CE-CD1 3.49Å; M1-L8 VanDerWaalsContact CE-CD1 3.49Å; M1-F362 HydrophobicContact CE-CE2 4.13Å; M1-F362 HydrophobicContact CE-CZ 4.14Å
2Q41.8Very low69.5Low202 Ų20263.6 Ų63.694%0.94437%0.365SS*.  trans-76.6-16.6177.5-93.9177.2-14.300112.4
3D55.2Low71Confident112 Ų11259.5 Ų59.560%0.59934%0.342SS*.SBendtrans-124.9125.7168.9-49.7-45.5000107.7M1 D5M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 WeakPolarHBondContact CB-O 3.46Å; D3-D5 PolarHBondContact O-N 3.06Å; D3-D5 VanDerWaalsContact O-N 3.09Å
4G54.5Low72.4Confident68 Ų6856.6 Ų56.670%0.70133%0.331SS*.THydrogen-bonded Turntrans-68.2-3.4-17100000116
5D58.7Low73.8Confident99 Ų9956.5 Ų56.553%0.52933%0.326SS..THydrogen-bonded Turntrans-109.926.1-164.8-43.1-40.8000112.5D3 R285D3-D5 PolarHBondContact O-N 3.06Å; D3-D5 VanDerWaalsContact O-N 3.09Å; D5-R285 WeakPolarHBondContact O-CD 3.43Å; D5-R285 PolarHBondContact O-NH1 3.07Å
6G66Low75.1Confident23 Ų2353 Ų5324%0.23731%0.305CS..  trans-85.3134.9-179.100000112.1
7A75.7Confident76.3Confident9 Ų951.9 Ų51.97%0.07430%0.298CS..  trans-63.6144.8166.500000111.6L256 Y257 R285 L359A7-L256 HydrophobicContact CB-CD1 4.25Å; A7-Y257 WeakPolarHBondContact CA-O 3.42Å; A7-Y257 WeakPolarHBondContact CB-O 3.4Å; A7-R285 WeakPolarHBondContact CB-O 3.48Å; A7-L359 HydrophobicContact CB-CD2 3.33Å
8L83Confident77.3Confident42 Ų4253.8 Ų53.822%0.2231%0.311CS..EExtended strand (participates in β ladder)trans-119.7130.7-170.3-171.696.1000109M1 V10 Y257 F362M1-L8 HydrophobicContact CE-CD1 3.49Å; M1-L8 VanDerWaalsContact CE-CD1 3.49Å; L8-V10 HydrophobicContact CD2-CG2 3.46Å; L8-V10 VanDerWaalsContact CD2-CG2 3.46Å; L8-V10 HydrophobicContact CG-CG2 4.25Å; L8-Y257 HydrophobicContact CD2-CD2 4.45Å; L8-Y257 PolarHBondContact N-O 3.18Å; L8-Y257 PolarHBondContact O-N 2.66Å; L8-F362 HydrophobicContact CD1-CD2 3.08Å; L8-F362 HydrophobicContact CD1-CE2 3.08Å; L8-F362 HydrophobicContact CD1-CG 3.93Å; L8-F362 HydrophobicContact CD1-CZ 3.92Å; L8-F362 HydrophobicContact CG-CD2 3.83Å; L8-F362 HydrophobicContact CG-CE2 4.25Å
9C84.5Confident78.3Confident2 Ų251.8 Ų51.81%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-108.5115.8170-163.30000109.5T255 L359 V360 R361 F362C9-T255 CarbonylContact C-O 3.44Å; C9-T255 WeakPolarHBondContact CA-O 3.36Å; C9-L359 HydrophobicContact CB-CB 4.46Å; C9-V360 PolarHBondContact N-O 2.9Å; C9-R361 CarbonylContact O-C 3.57Å; C9-R361 VanDerWaalsContact O-CA 3.3Å; C9-R361 WeakPolarHBondContact O-CA 3.27Å; C9-F362 PolarHBondContact O-N 3.03Å
10V89Confident79.3Confident20 Ų2049.9 Ų49.912%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-95120.5177.6-177.30000108.7L8 F254 T255 Y257 M364L8-V10 HydrophobicContact CD2-CG2 3.46Å; L8-V10 VanDerWaalsContact CD2-CG2 3.46Å; L8-V10 HydrophobicContact CG-CG2 4.25Å; V10-F254 WeakPolarHBondContact O-CA 3.12Å; V10-T255 PolarHBondContact N-O 3Å; V10-T255 PolarHBondContact O-N 2.9Å; V10-Y257 HydrophobicContact CB-CD2 4.5Å; V10-Y257 HydrophobicContact CB-CE2 3.98Å; V10-Y257 HydrophobicContact CG2-CD2 3.82Å; V10-Y257 HydrophobicContact CG2-CE2 3.56Å; V10-M364 HydrophobicContact CG1-CG 3.56Å; V10-M364 HydrophobicContact CG1-SD 3.59Å; V10-M364 VanDerWaalsContact CG1-SD 3.59Å
11A91.4Very high80.1Confident0 Ų051 Ų510%030%0.297CS..EExtended strand (participates in β ladder)trans-98.1121.2174.600000110.8M43 A253 F254 R361 F362 M364A11-M43 HydrophobicContact CB-CE 3.4Å; A11-M43 VanDerWaalsContact CB-CE 3.4Å; A11-A253 CarbonylContact C-O 3.58Å; A11-A253 WeakPolarHBondContact CA-O 3.45Å; A11-F254 HydrophobicContact CB-CD1 3.87Å; A11-F254 HydrophobicContact CB-CE1 3.74Å; A11-F254 HydrophobicContact CB-CE2 4.43Å; A11-F254 HydrophobicContact CB-CG 4.32Å; A11-F254 HydrophobicContact CB-CZ 4Å; A11-R361 HydrophobicContact CB-CG 4.14Å; A11-F362 PolarHBondContact N-O 3.38Å; A11-M364 PolarHBondContact O-N 2.8Å
12N90.2Very high82.6Confident49 Ų4946.1 Ų46.126%0.26227%0.274SS..EExtended strand (participates in β ladder)trans-101.3101.1176.1-177-3.2000110.5G14 H15 A253N12-G14 PolarHBondContact O-N 2.63Å; N12-G14 PolarHBondContact OD1-N 3.22Å; N12-H15 PolarHBondContact ND2-CD2 3.4Å; N12-H15 PolarHBondContact ND2-NE2 3.37Å; N12-H15 PolarHBondContact O-N 2.69Å; N12-A253 PolarHBondContact N-O 3.35Å
13V88Confident85.3Confident11 Ų1136.5 Ų36.57%0.06723%0.229CC..Hα-helixtrans-59.1-29.9178.6172.10000112.5H15 V16 L17 M43 I47 T363 P366V13-H15 PolarHBondContact O-N 3.14Å; V13-V16 WeakPolarHBondContact O-CB 3.31Å; V13-V16 PolarHBondContact O-N 3.13Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 PolarHBondContact O-N 2.85Å; V13-M43 HydrophobicContact CG2-SD 3.78Å; V13-I47 HydrophobicContact CB-CD1 4.07Å; V13-I47 HydrophobicContact CG1-CD1 3.51Å; V13-I47 HydrophobicContact CG1-CG1 4.2Å; V13-I47 HydrophobicContact CG1-CG2 4.49Å; V13-I47 HydrophobicContact CG2-CD1 3.57Å; V13-T363 HydrophobicContact CG2-CG2 3.65Å; V13-P366 HydrophobicContact CB-CG 4.14Å
14G91.4Very high87.4Confident18 Ų1835.5 Ų35.519%0.18622%0.223CC..Hα-helixtrans-57.3-36.2178.700000112.5N12 V16 L17 T18N12-G14 PolarHBondContact O-N 2.63Å; N12-G14 PolarHBondContact OD1-N 3.22Å; G14-V16 PolarHBondContact O-N 3.33Å; G14-L17 PolarHBondContact O-N 3.07Å; G14-T18 PolarHBondContact O-N 3.26Å; G14-T18 PolarHBondContact O-OG1 3.35Å; G14-T18 VanDerWaalsContact O-OG1 3.1Å
15H93.1Very high89.4Confident56 Ų5638.7 Ų38.726%0.25922%0.22SC..Hα-helixtrans-66.4-36.1176.8-72.4-46.2000112.7N12 V13 L17 T18 Q19 R252N12-H15 PolarHBondContact ND2-CD2 3.4Å; N12-H15 PolarHBondContact ND2-NE2 3.37Å; N12-H15 PolarHBondContact O-N 2.69Å; V13-H15 PolarHBondContact O-N 3.14Å; H15-L17 VanDerWaalsContact C-N 3.33Å; H15-L17 PolarHBondContact O-N 2.85Å; H15-T18 PolarHBondContact O-N 2.96Å; H15-Q19 WeakPolarHBondContact O-CB 3.47Å; H15-Q19 VanDerWaalsContact O-CG 3.25Å; H15-Q19 WeakPolarHBondContact O-CG 3.48Å; H15-Q19 PolarHBondContact O-N 3.38Å; H15-R252 HydrophobicContact CB-CB 4.24Å; H15-R252 PolarHBondContact CD2-O 3.3Å
16V95Very high91.3Very high0 Ų036.1 Ų36.10%020%0.204CC..Hα-helixtrans-63.7-42.3176.1-172.50000110.4V13 G14 Q19 H20 M44 I47 L48 Y249 A253V13-V16 WeakPolarHBondContact O-CB 3.31Å; V13-V16 PolarHBondContact O-N 3.13Å; G14-V16 PolarHBondContact O-N 3.33Å; V16-Q19 PolarHBondContact O-N 3.29Å; V16-H20 WeakPolarHBondContact O-CB 3.13Å; V16-H20 PolarHBondContact O-N 3Å; V16-M44 HydrophobicContact CG1-CE 4.21Å; V16-M44 HydrophobicContact CG2-CE 3.8Å; V16-M44 HydrophobicContact CG2-SD 3.54Å; V16-M44 VanDerWaalsContact CG2-SD 3.54Å; V16-I47 HydrophobicContact CB-CG2 4.34Å; V16-I47 HydrophobicContact CG1-CG2 3.89Å; V16-L48 HydrophobicContact CG1-CD2 3.81Å; V16-L48 HydrophobicContact CG1-CG 4.1Å; V16-Y249 HydrophobicContact CG1-CD1 4.39Å; V16-A253 HydrophobicContact CG2-CB 3.68Å
17L94.9Very high92.9Very high35 Ų3535 Ų3518%0.18319%0.193CC..Hα-helixtrans-62.6-47176.4-58.5178000111.5V13 G14 H15 Q19 H20 S21 I47 L51 I371V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 PolarHBondContact O-N 2.85Å; G14-L17 PolarHBondContact O-N 3.07Å; H15-L17 VanDerWaalsContact C-N 3.33Å; H15-L17 PolarHBondContact O-N 2.85Å; L17-Q19 PolarHBondContact O-N 3.14Å; L17-H20 PolarHBondContact O-N 2.85Å; L17-S21 PolarHBondContact O-N 2.95Å; L17-I47 HydrophobicContact CD2-CG2 4.33Å; L17-L51 HydrophobicContact CD2-CD1 3.93Å; L17-L51 HydrophobicContact CD2-CD2 3.82Å; L17-L51 HydrophobicContact CD2-CG 4.32Å; L17-I371 HydrophobicContact CD1-CD1 4.32Å; L17-I371 HydrophobicContact CD1-CG1 4.02Å; L17-I371 HydrophobicContact CD2-CG1 4.32Å
18T94.8Very high93.9Very high85 Ų8539 Ų3952%0.52122%0.218SC..Hα-helixtrans-60.1-45.6177.2-58.70000111.5G14 H15 H20 S21 L22G14-T18 PolarHBondContact O-N 3.26Å; G14-T18 PolarHBondContact O-OG1 3.35Å; G14-T18 VanDerWaalsContact O-OG1 3.1Å; H15-T18 PolarHBondContact O-N 2.96Å; T18-H20 VanDerWaalsContact C-N 3.33Å; T18-H20 PolarHBondContact O-N 3.29Å; T18-S21 PolarHBondContact O-N 2.86Å; T18-L22 WeakPolarHBondContact O-CB 3.41Å; T18-L22 PolarHBondContact O-N 3.47Å
19Q96.4Very high94.6Very high17 Ų1740.7 Ų40.78%0.07922%0.221CC..Hα-helixtrans-63.3-40177.6-68.8-63.672.800111.6H15 V16 L17 L22 W23 G209 F248 Y249H15-Q19 WeakPolarHBondContact O-CB 3.47Å; H15-Q19 VanDerWaalsContact O-CG 3.25Å; H15-Q19 WeakPolarHBondContact O-CG 3.48Å; H15-Q19 PolarHBondContact O-N 3.38Å; V16-Q19 PolarHBondContact O-N 3.29Å; L17-Q19 PolarHBondContact O-N 3.14Å; Q19-L22 PolarHBondContact O-N 3.34Å; Q19-W23 PolarHBondContact O-N 3.25Å; Q19-G209 PolarHBondContact NE2-O 3.3Å; Q19-G209 VanDerWaalsContact NE2-O 3.09Å; Q19-F248 HydrophobicContact CB-CD1 4.31Å; Q19-F248 HydrophobicContact CB-CE1 3.79Å; Q19-F248 HydrophobicContact CB-CZ 4.13Å; Q19-F248 WeakPolarHBondContact CG-O 3.39Å; Q19-F248 PolarHBondContact NE2-O 2.86Å; Q19-F248 WeakPolarHBondContact O-CE1 3.14Å; Q19-F248 VanDerWaalsContact O-CZ 3.23Å; Q19-F248 WeakPolarHBondContact O-CZ 3.26Å; Q19-Y249 HydrophobicContact CB-CD1 4.1Å; Q19-Y249 HydrophobicContact CB-CE1 4.45Å
20H97.6Very high95.3Very high13 Ų1340.8 Ų40.86%0.0622%0.222CC..Hα-helixtrans-63.1-44.5175.5-165.965000112.7V16 L17 T18 L22 W23 L24 L51 Y249V16-H20 WeakPolarHBondContact O-CB 3.13Å; V16-H20 PolarHBondContact O-N 3Å; L17-H20 PolarHBondContact O-N 2.85Å; T18-H20 VanDerWaalsContact C-N 3.33Å; T18-H20 PolarHBondContact O-N 3.29Å; H20-L22 VanDerWaalsContact C-N 3.32Å; H20-L22 PolarHBondContact O-N 2.98Å; H20-W23 WeakPolarHBondContact O-CB 3.46Å; H20-W23 PolarHBondContact O-N 2.98Å; H20-L24 WeakPolarHBondContact O-CG 3.37Å; H20-L24 PolarHBondContact O-N 3.49Å; H20-L51 HydrophobicContact CB-CD1 3.81Å; H20-L51 PolarHBondContact NE2-O 3.47Å; H20-L51 VanDerWaalsContact NE2-O 3.14Å; H20-Y249 HydrophobicContact CB-CE1 3.79Å; H20-Y249 AromaticContact ND1-CE1 3.76Å; H20-Y249 AromaticContact ND1-CZ 3.72Å; H20-Y249 PolarHBondContact ND1-OH 2.89Å
21S97.1Very high95.7Very high72 Ų7243 Ų4350%0.50323%0.231SC..Hα-helixtrans-60.5-43.2175.2-171.80000111.7L17 T18 W23 L24 Q25L17-S21 PolarHBondContact O-N 2.95Å; T18-S21 PolarHBondContact O-N 2.86Å; S21-W23 VanDerWaalsContact C-N 3.32Å; S21-W23 PolarHBondContact O-N 3.4Å; S21-L24 PolarHBondContact O-N 2.8Å; S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 PolarHBondContact O-N 3.1Å
22L97.1Very high96.1Very high36 Ų3643 Ų4319%0.18823%0.231CC..Hα-helixtrans-62.5-40.5177.4-170.270.8000111.1T18 Q19 H20 Q25 H26 F218 F248T18-L22 WeakPolarHBondContact O-CB 3.41Å; T18-L22 PolarHBondContact O-N 3.47Å; Q19-L22 PolarHBondContact O-N 3.34Å; H20-L22 VanDerWaalsContact C-N 3.32Å; H20-L22 PolarHBondContact O-N 2.98Å; L22-Q25 PolarHBondContact O-N 3.25Å; L22-H26 VanDerWaalsContact CD1-CD2 3.47Å; L22-H26 WeakPolarHBondContact CD1-CD2 3.33Å; L22-H26 PolarHBondContact O-CD2 3.15Å; L22-H26 PolarHBondContact O-N 3.5Å; L22-F218 HydrophobicContact CD2-CD1 3.73Å; L22-F218 HydrophobicContact CD2-CE1 4.25Å; L22-F218 HydrophobicContact CG-CD1 3.85Å; L22-F218 HydrophobicContact CG-CE1 3.93Å; L22-F248 HydrophobicContact CB-CZ 4.38Å; L22-F248 HydrophobicContact CD2-CE2 4.25Å; L22-F248 HydrophobicContact CD2-CZ 4.3Å
23W98.4Very high96.5Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-58.5-53175-175.8-80.8000111.9Q19 H20 S21 Q25 H26 L27 V30 P32 Y207 F218 A243 P245 F248Q19-W23 PolarHBondContact O-N 3.25Å; H20-W23 WeakPolarHBondContact O-CB 3.46Å; H20-W23 PolarHBondContact O-N 2.98Å; S21-W23 VanDerWaalsContact C-N 3.32Å; S21-W23 PolarHBondContact O-N 3.4Å; W23-Q25 VanDerWaalsContact C-N 3.28Å; W23-Q25 PolarHBondContact O-N 3.32Å; W23-H26 PolarHBondContact O-N 2.97Å; W23-L27 HydrophobicContact CD2-CD1 4.41Å; W23-L27 HydrophobicContact CE3-CD1 4.34Å; W23-L27 HydrophobicContact CH2-CD1 3.83Å; W23-L27 HydrophobicContact CZ2-CD1 3.89Å; W23-L27 HydrophobicContact CZ3-CD1 4.05Å; W23-L27 WeakPolarHBondContact O-CA 3.46Å; W23-L27 PolarHBondContact O-N 3.47Å; W23-V30 HydrophobicContact CZ2-CB 4.31Å; W23-V30 HydrophobicContact CZ2-CG1 3.85Å; W23-V30 PolarHBondContact NE1-O 3.05Å; W23-P32 HydrophobicContact CD2-CB 4.27Å; W23-P32 HydrophobicContact CG-CG 4.48Å; W23-P32 HydrophobicContact CZ2-CB 4.08Å; W23-Y207 HydrophobicContact CH2-CD2 4.04Å; W23-Y207 HydrophobicContact CH2-CE1 4.37Å; W23-Y207 AromaticContact CH2-CE2 3.61Å; W23-Y207 HydrophobicContact CH2-CE2 3.61Å; W23-Y207 AromaticContact CH2-CZ 3.82Å; W23-Y207 HydrophobicContact CZ3-CD1 4.38Å; W23-Y207 AromaticContact CZ3-CD2 3.74Å; W23-Y207 HydrophobicContact CZ3-CD2 3.74Å; W23-Y207 HydrophobicContact CZ3-CE1 4.44Å; W23-Y207 AromaticContact CZ3-CE2 3.82Å; W23-Y207 HydrophobicContact CZ3-CE2 3.82Å; W23-Y207 HydrophobicContact CZ3-CG 4.04Å; W23-F218 HydrophobicContact CD2-CZ 4.46Å; W23-F218 AromaticContact CE3-CE2 3.96Å; W23-F218 HydrophobicContact CE3-CE2 3.96Å; W23-F218 AromaticContact CE3-CZ 3.88Å; W23-F218 HydrophobicContact CE3-CZ 3.88Å; W23-F218 HydrophobicContact CZ3-CE2 4.04Å; W23-F218 HydrophobicContact CZ3-CZ 4.38Å; W23-A243 HydrophobicContact CH2-CB 3.63Å; W23-A243 HydrophobicContact CZ2-CB 3.71Å; W23-P245 HydrophobicContact CE3-CB 4.26Å; W23-P245 HydrophobicContact CE3-CG 4.21Å; W23-P245 HydrophobicContact CH2-CB 4.02Å; W23-P245 HydrophobicContact CH2-CG 3.75Å; W23-P245 HydrophobicContact CZ2-CG 4.25Å; W23-P245 HydrophobicContact CZ3-CB 3.63Å; W23-P245 HydrophobicContact CZ3-CG 3.73Å; W23-F248 HydrophobicContact CB-CE1 3.87Å; W23-F248 HydrophobicContact CB-CZ 4.16Å; W23-F248 HydrophobicContact CD2-CE1 4.47Å; W23-F248 AromaticContact CE3-CD1 3.89Å; W23-F248 HydrophobicContact CE3-CD1 3.89Å; W23-F248 AromaticContact CE3-CE1 3.76Å; W23-F248 HydrophobicContact CE3-CE1 3.76Å; W23-F248 HydrophobicContact CE3-CG 4.4Å; W23-F248 HydrophobicContact CE3-CZ 4.19Å; W23-F248 HydrophobicContact CZ3-CD1 4.48Å
24L97.9Very high97Very high91 Ų9140.3 Ų40.348%0.47622%0.216SC..Hα-helixtrans-63.4-35.4-178.9-64.8-179.9000112.2H20 S21 P28H20-L24 WeakPolarHBondContact O-CG 3.37Å; H20-L24 PolarHBondContact O-N 3.49Å; S21-L24 PolarHBondContact O-N 2.8Å; L24-P28 WeakPolarHBondContact O-CA 3.33Å; L24-P28 WeakPolarHBondContact O-CB 3.29Å
25Q98.1Very high97.3Very high135 Ų13539.5 Ų39.563%0.63121%0.208SC*.Hα-helixtrans-66.2-44.7177.4178.9-179.6-17.600112.3S21 L22 W23S21-Q25 WeakPolarHBondContact O-CB 3.37Å; S21-Q25 PolarHBondContact O-N 3.1Å; L22-Q25 PolarHBondContact O-N 3.25Å; W23-Q25 VanDerWaalsContact C-N 3.28Å; W23-Q25 PolarHBondContact O-N 3.32Å
26H98.4Very high97.6Very high45 Ų4536.9 Ų36.921%0.20820%0.196CC..Hα-helixtrans-95.5-23.7-172.1-74.8-84.7000114.2L22 W23 P28 F218 E219 A222 N226L22-H26 VanDerWaalsContact CD1-CD2 3.47Å; L22-H26 WeakPolarHBondContact CD1-CD2 3.33Å; L22-H26 PolarHBondContact O-CD2 3.15Å; L22-H26 PolarHBondContact O-N 3.5Å; W23-H26 PolarHBondContact O-N 2.97Å; H26-P28 VanDerWaalsContact C-CD 3.45Å; H26-F218 HydrophobicContact CB-CD1 4.48Å; H26-F218 HydrophobicContact CB-CE1 3.73Å; H26-F218 HydrophobicContact CB-CZ 4.24Å; H26-E219 WeakPolarHBondContact CE1-CG 3.25Å; H26-A222 HydrophobicContact CB-CB 3.72Å; H26-N226 PolarHBondContact O-ND2 3.25Å
27L98.5Very high97.6Very high0 Ų040.2 Ų40.20%021%0.21CC..  trans-130.358.3178.8-68.1176.3000111.3W23 R29 V30 Y207 F218 A222 I225W23-L27 HydrophobicContact CD2-CD1 4.41Å; W23-L27 HydrophobicContact CE3-CD1 4.34Å; W23-L27 HydrophobicContact CH2-CD1 3.83Å; W23-L27 HydrophobicContact CZ2-CD1 3.89Å; W23-L27 HydrophobicContact CZ3-CD1 4.05Å; W23-L27 WeakPolarHBondContact O-CA 3.46Å; W23-L27 PolarHBondContact O-N 3.47Å; L27-R29 PolarHBondContact O-N 3.2Å; L27-R29 VanDerWaalsContact O-N 3.07Å; L27-V30 HydrophobicContact CB-CB 4Å; L27-V30 HydrophobicContact CB-CG2 4Å; L27-V30 HydrophobicContact CD2-CG2 4.15Å; L27-V30 PolarHBondContact O-N 3.12Å; L27-Y207 HydrophobicContact CD1-CE1 4.4Å; L27-F218 HydrophobicContact CD1-CE2 3.86Å; L27-F218 HydrophobicContact CD1-CZ 3.9Å; L27-F218 HydrophobicContact CG-CZ 4.22Å; L27-A222 HydrophobicContact CD2-CB 3.84Å; L27-A222 HydrophobicContact CG-CB 3.91Å; L27-I225 HydrophobicContact CD2-CB 4.08Å; L27-I225 HydrophobicContact CD2-CD1 4.45Å; L27-I225 HydrophobicContact CD2-CG2 3.69Å
28P97.3Very high97.6Very high93 Ų9338.6 Ų38.660%0.60420%0.202SC*.THydrogen-bonded Turntrans-63.2-21.3-172.326.1-36.1000114.1L24 H26L24-P28 WeakPolarHBondContact O-CA 3.33Å; L24-P28 WeakPolarHBondContact O-CB 3.29Å; H26-P28 VanDerWaalsContact C-CD 3.45Å
29R97.5Very high97.6Very high76 Ų7634.6 Ų34.629%0.28718%0.177SC..THydrogen-bonded Turntrans-90-7.1178.6-65.2176.359.3-160.8-9.9113.4L27 E230 F233L27-R29 PolarHBondContact O-N 3.2Å; L27-R29 VanDerWaalsContact O-N 3.07Å; R29-E230 IonicContact NH1-OE2 2.67Å; R29-E230 PolarHBondContact NH1-OE2 2.89Å; R29-F233 PolarHBondContact NH2-O 2.89Å
30V98.6Very high97.5Very high4 Ų437.4 Ų37.42%0.02419%0.193CC..EExtended strand (participates in β ladder)trans-110.8111.2-170.5-171.30000110W23 L27 P32 L203 L229 I241 A243W23-V30 HydrophobicContact CZ2-CB 4.31Å; W23-V30 HydrophobicContact CZ2-CG1 3.85Å; W23-V30 PolarHBondContact NE1-O 3.05Å; L27-V30 HydrophobicContact CB-CB 4Å; L27-V30 HydrophobicContact CB-CG2 4Å; L27-V30 HydrophobicContact CD2-CG2 4.15Å; L27-V30 PolarHBondContact O-N 3.12Å; V30-P32 WeakPolarHBondContact O-CD 3.25Å; V30-L203 HydrophobicContact CG1-CD1 4.1Å; V30-L203 HydrophobicContact CG2-CD1 3.99Å; V30-L229 HydrophobicContact CG2-CD1 4.02Å; V30-I241 HydrophobicContact CB-CG2 4.48Å; V30-I241 HydrophobicContact CG1-CG2 4.24Å; V30-I241 HydrophobicContact CG2-CB 4.41Å; V30-I241 HydrophobicContact CG2-CG2 3.89Å; V30-A243 HydrophobicContact CG1-CB 3.61Å
31Q98.5Very high97.3Very high67 Ų6738 Ų3831%0.31320%0.196SC..EExtended strand (participates in β ladder)trans-74.7121176.1176.766.953.100110.1F33 G52 N54 I241 I242 A243Q31-F33 HydrophobicContact CB-CE2 4.42Å; Q31-F33 HydrophobicContact CG-CD2 4.27Å; Q31-F33 HydrophobicContact CG-CE2 3.83Å; Q31-G52 PolarHBondContact NE2-O 2.84Å; Q31-N54 WeakPolarHBondContact CG-ND2 3.23Å; Q31-I241 PolarHBondContact N-O 3.41Å; Q31-I242 HydrophobicContact CB-CG2 4.32Å; Q31-I242 VanDerWaalsContact O-CA 3.31Å; Q31-I242 WeakPolarHBondContact O-CA 3.44Å; Q31-A243 PolarHBondContact O-N 3.2Å; Q31-A243 VanDerWaalsContact O-N 3.16Å
32P98.7Very high97.1Very high1 Ų138 Ų381%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-74.6136.617729.5-33.2000111.5W23 V30 C53 N54 P245 Y249W23-P32 HydrophobicContact CD2-CB 4.27Å; W23-P32 HydrophobicContact CG-CG 4.48Å; W23-P32 HydrophobicContact CZ2-CB 4.08Å; V30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-C53 PolarHBondContact O-SG 3.01Å; P32-C53 VanDerWaalsContact O-SG 3.4Å; P32-N54 PolarHBondContact O-N 2.71Å; P32-P245 HydrophobicContact CB-CG 3.84Å; P32-Y249 HydrophobicContact CB-CE2 4.1Å
33F98.8Very high96.9Very high2 Ų237.2 Ų37.21%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-115.599.9166-75.9-115000107.9Q31 A35 N54 D56 I77 I242 A243 E244Q31-F33 HydrophobicContact CB-CE2 4.42Å; Q31-F33 HydrophobicContact CG-CD2 4.27Å; Q31-F33 HydrophobicContact CG-CE2 3.83Å; F33-A35 PolarHBondContact O-N 2.74Å; F33-N54 CarbonylContact C-O 3.48Å; F33-N54 WeakPolarHBondContact CA-O 3.3Å; F33-N54 HydrophobicContact CB-CB 4.28Å; F33-N54 HydrophobicContact CD1-CB 3.33Å; F33-N54 HydrophobicContact CD2-CB 3.7Å; F33-N54 HydrophobicContact CE1-CB 3.42Å; F33-N54 VanDerWaalsContact CE1-CB 3.42Å; F33-N54 HydrophobicContact CE2-CB 3.75Å; F33-N54 VanDerWaalsContact CE2-ND2 3.33Å; F33-N54 WeakPolarHBondContact CE2-ND2 3.28Å; F33-N54 HydrophobicContact CG-CB 3.49Å; F33-N54 VanDerWaalsContact CG-CB 3.49Å; F33-N54 HydrophobicContact CZ-CB 3.63Å; F33-N54 WeakPolarHBondContact CZ-ND2 3.24Å; F33-D56 HydrophobicContact CB-CB 4.48Å; F33-I77 HydrophobicContact CB-CG2 4.27Å; F33-I77 HydrophobicContact CD1-CB 4.13Å; F33-I77 HydrophobicContact CD1-CG2 3.61Å; F33-I77 HydrophobicContact CE1-CB 4.32Å; F33-I77 HydrophobicContact CE1-CG2 4.29Å; F33-I77 HydrophobicContact CG-CG2 4.2Å; F33-I242 HydrophobicContact CD2-CB 3.86Å; F33-I242 HydrophobicContact CD2-CD1 4.24Å; F33-I242 HydrophobicContact CD2-CG2 4.2Å; F33-I242 HydrophobicContact CE2-CB 3.78Å; F33-I242 HydrophobicContact CE2-CD1 4.1Å; F33-I242 HydrophobicContact CE2-CG2 3.58Å; F33-I242 HydrophobicContact CZ-CD1 4.43Å; F33-I242 HydrophobicContact CZ-CG2 4.39Å; F33-A243 WeakPolarHBondContact CA-O 3.42Å; F33-A243 WeakPolarHBondContact CB-O 3.31Å; F33-A243 PolarHBondContact N-O 3.03Å; F33-E244 CarbonylContact O-C 3.26Å; F33-E244 WeakPolarHBondContact O-CA 3.03Å
34Y98.7Very high96.8Very high0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-60.3124.8-176.5175.7-111.9000112V36 N39 L48 N54 F55 D56 P245 Y249Y34-V36 HydrophobicContact CD1-CG2 4.38Å; Y34-V36 PolarHBondContact O-N 2.67Å; Y34-V36 VanDerWaalsContact O-N 3.08Å; Y34-N39 WeakPolarHBondContact CE1-O 3.29Å; Y34-N39 WeakPolarHBondContact OH-CA 3.2Å; Y34-N39 VanDerWaalsContact OH-CB 3.29Å; Y34-N39 WeakPolarHBondContact OH-CB 3.39Å; Y34-N39 PolarHBondContact OH-N 2.94Å; Y34-N39 VanDerWaalsContact OH-N 3.11Å; Y34-N39 PolarHBondContact OH-O 2.89Å; Y34-L48 HydrophobicContact CD1-CD1 3.68Å; Y34-L48 HydrophobicContact CD2-CD1 3.58Å; Y34-L48 HydrophobicContact CE1-CD1 4.13Å; Y34-L48 HydrophobicContact CE2-CD1 4.05Å; Y34-L48 HydrophobicContact CG-CD1 3.38Å; Y34-N54 PolarHBondContact N-O 3.34Å; Y34-F55 HydrophobicContact CD1-CD1 4.18Å; Y34-F55 HydrophobicContact CD1-CE1 4.24Å; Y34-D56 PolarHBondContact O-N 3.18Å; Y34-P245 WeakPolarHBondContact CA-O 3.2Å; Y34-P245 VanDerWaalsContact CD2-O 3.27Å; Y34-P245 WeakPolarHBondContact CD2-O 3.48Å; Y34-Y249 HydrophobicContact CD2-CD2 4.01Å; Y34-Y249 HydrophobicContact CD2-CG 4.31Å
35A98.3Very high96.7Very high2 Ų233 Ų332%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-74.597.2177.300000111F33 K37 C38 D56 P245F33-A35 PolarHBondContact O-N 2.74Å; A35-K37 HydrophobicContact CB-CG 4.3Å; A35-K37 PolarHBondContact O-N 3.15Å; A35-K37 VanDerWaalsContact O-N 3.14Å; A35-C38 WeakPolarHBondContact O-CB 3.37Å; A35-C38 PolarHBondContact O-N 3.3Å; A35-D56 HydrophobicContact CB-CB 4.4Å; A35-D56 WeakPolarHBondContact CB-OD2 3.49Å; A35-P245 PolarHBondContact N-O 3.26Å
36V98.3Very high96.6Very high0 Ų033.4 Ų33.40%016%0.164CC..G310 helixtrans-57.4-34.1-172.7177.90000112.4Y34 C38 N39 N40 I45 F55 D56 E62 V66Y34-V36 HydrophobicContact CD1-CG2 4.38Å; Y34-V36 PolarHBondContact O-N 2.67Å; Y34-V36 VanDerWaalsContact O-N 3.08Å; V36-C38 PolarHBondContact O-N 3.43Å; V36-N39 CarbonylContact O-C 3.57Å; V36-N39 VanDerWaalsContact O-C 3.26Å; V36-N39 PolarHBondContact O-N 3.29Å; V36-N40 HydrophobicContact CG1-CB 3.94Å; V36-N40 PolarHBondContact O-N 3.09Å; V36-I45 HydrophobicContact CG1-CD1 4.2Å; V36-F55 HydrophobicContact CG2-CB 4.2Å; V36-F55 HydrophobicContact CG2-CD1 3.93Å; V36-D56 WeakPolarHBondContact CG2-O 3.31Å; V36-D56 PolarHBondContact N-O 3.38Å; V36-E62 HydrophobicContact CB-CG 4.41Å; V36-E62 HydrophobicContact CG1-CB 4.2Å; V36-E62 HydrophobicContact CG1-CG 3.97Å; V36-V66 HydrophobicContact CG1-CG1 4.49Å; V36-V66 HydrophobicContact CG2-CG1 3.66Å
37K96Very high96.4Very high71 Ų7132.2 Ų32.231%0.30916%0.159SC..G310 helixtrans-54.2-22.7174.165.7-164.5178-129.50114.6A35 D56 A58 E62A35-K37 HydrophobicContact CB-CG 4.3Å; A35-K37 PolarHBondContact O-N 3.15Å; A35-K37 VanDerWaalsContact O-N 3.14Å; K37-D56 IonicContact NZ-OD1 2.89Å; K37-D56 IonicContact NZ-OD2 2.72Å; K37-D56 PolarHBondContact NZ-OD2 2.96Å; K37-A58 HydrophobicContact CD-CB 4.34Å; K37-E62 WeakPolarHBondContact CA-OE1 3.25Å; K37-E62 WeakPolarHBondContact CB-OE1 3.41Å
38C94.8Very high96.4Very high0 Ų032.2 Ų32.20%016%0.159CC..G310 helixtrans-72.7-48.6179.9-176.20000112.1A35 V36 R247 Y345A35-C38 WeakPolarHBondContact O-CB 3.37Å; A35-C38 PolarHBondContact O-N 3.3Å; V36-C38 PolarHBondContact O-N 3.43Å; C38-R247 PolarHBondContact SG-N 2.75Å; C38-Y345 HydrophobicContact CB-CD1 4.49Å; C38-Y345 HydrophobicContact CB-CE1 3.96Å; C38-Y345 HydrophobicContact CB-CE2 4.36Å; C38-Y345 WeakPolarHBondContact O-CA 3.45Å; C38-Y345 PolarHBondContact O-N 2.85Å
39N94.3Very high96.4Very high1 Ų129.4 Ų29.41%0.00514%0.139CC..  trans-154.2104.3173.5-171.3-32.5000108.8Y34 V36 D41 A250 F254 G343Y34-N39 WeakPolarHBondContact CE1-O 3.29Å; Y34-N39 WeakPolarHBondContact OH-CA 3.2Å; Y34-N39 VanDerWaalsContact OH-CB 3.29Å; Y34-N39 WeakPolarHBondContact OH-CB 3.39Å; Y34-N39 PolarHBondContact OH-N 2.94Å; Y34-N39 VanDerWaalsContact OH-N 3.11Å; Y34-N39 PolarHBondContact OH-O 2.89Å; V36-N39 CarbonylContact O-C 3.57Å; V36-N39 VanDerWaalsContact O-C 3.26Å; V36-N39 PolarHBondContact O-N 3.29Å; N39-D41 PolarHBondContact O-N 3.4Å; N39-D41 WeakPolarHBondContact OD1-CB 3.46Å; N39-D41 PolarHBondContact OD1-N 2.81Å; N39-A250 HydrophobicContact CB-CB 3.91Å; N39-F254 WeakPolarHBondContact ND2-CE2 3.38Å; N39-F254 VanDerWaalsContact ND2-CZ 3.31Å; N39-F254 WeakPolarHBondContact ND2-CZ 3.47Å; N39-G343 WeakPolarHBondContact CB-O 3.36Å; N39-G343 PolarHBondContact ND2-O 2.91Å
40N94.4Very high96.3Very high77 Ų7731.6 Ų31.641%0.41216%0.155SC..  trans-86.619.2-17661.9-5.9000113.1V36V36-N40 HydrophobicContact CG1-CB 3.94Å; V36-N40 PolarHBondContact O-N 3.09Å
41D93.5Very high96.2Very high24 Ų2433 Ų3313%0.12816%0.162CC..  trans-62.6128.1177-167.4-74.7000110.8N39 M43 M44 I45 F254 R361N39-D41 PolarHBondContact O-N 3.4Å; N39-D41 WeakPolarHBondContact OD1-CB 3.46Å; N39-D41 PolarHBondContact OD1-N 2.81Å; D41-M43 PolarHBondContact O-N 3.15Å; D41-M43 WeakPolarHBondContact OD1-CB 3.35Å; D41-M43 PolarHBondContact OD1-N 2.9Å; D41-M44 HydrophobicContact CB-CG 4.36Å; D41-M44 WeakPolarHBondContact O-CB 3.37Å; D41-M44 PolarHBondContact O-N 3.24Å; D41-I45 PolarHBondContact O-N 3Å; D41-F254 HydrophobicContact CB-CZ 4.37Å; D41-R361 IonicContact OD1-CZ 3Å; D41-R361 IonicContact OD1-NE 3.89Å; D41-R361 PolarHBondContact OD1-NE 3.17Å; D41-R361 IonicContact OD1-NH2 2.9Å; D41-R361 PolarHBondContact OD1-NH2 3.39Å; D41-R361 WeakPolarHBondContact OD2-CD 3.4Å; D41-R361 IonicContact OD2-CZ 3.32Å; D41-R361 IonicContact OD2-NE 2.7Å; D41-R361 PolarHBondContact OD2-NE 3.35Å; D41-R361 IonicContact OD2-NH2 2.87Å
42P94Very high96.1Very high72 Ų7231.5 Ų31.547%0.46817%0.165SC..Hα-helixtrans-56.3-26.7180-28.335.8000114.6R46 L69P42-R46 WeakPolarHBondContact O-CB 3.23Å; P42-R46 VanDerWaalsContact O-CG 3.26Å; P42-R46 WeakPolarHBondContact O-CG 3.36Å; P42-R46 PolarHBondContact O-N 3.3Å; P42-L69 HydrophobicContact CB-CD1 4.15Å; P42-L69 HydrophobicContact CB-CD2 4.48Å
43M92.9Very high96Very high21 Ų2131.5 Ų31.510%0.10316%0.164CC..Hα-helixtrans-67.5-44.5176178.8-84.4-65.100111.3A11 V13 D41 R46 I47 F254 T363A11-M43 HydrophobicContact CB-CE 3.4Å; A11-M43 VanDerWaalsContact CB-CE 3.4Å; V13-M43 HydrophobicContact CG2-SD 3.78Å; D41-M43 PolarHBondContact O-N 3.15Å; D41-M43 WeakPolarHBondContact OD1-CB 3.35Å; D41-M43 PolarHBondContact OD1-N 2.9Å; M43-R46 PolarHBondContact O-N 2.89Å; M43-I47 HydrophobicContact CG-CD1 3.91Å; M43-I47 WeakPolarHBondContact O-CD1 3.32Å; M43-I47 WeakPolarHBondContact O-CG1 3.41Å; M43-I47 PolarHBondContact O-N 3.06Å; M43-I47 HydrophobicContact SD-CD1 3.14Å; M43-I47 WeakPolarHBondContact SD-CD1 3.42Å; M43-I47 HydrophobicContact SD-CG1 4.43Å; M43-F254 HydrophobicContact CE-CE2 4.43Å; M43-F254 HydrophobicContact CE-CZ 3.9Å; M43-T363 HydrophobicContact CE-CG2 4.41Å; M43-T363 HydrophobicContact CG-CG2 4.1Å; M43-T363 HydrophobicContact SD-CG2 4.34Å
44M94.5Very high96Very high0 Ų031.8 Ų31.80%017%0.166CC..Hα-helixtrans-59.7-48.9175.8-73.8-63.5-63.300110.8V16 D41 R46 I47 L48 A250 A253 F254V16-M44 HydrophobicContact CG1-CE 4.21Å; V16-M44 HydrophobicContact CG2-CE 3.8Å; V16-M44 HydrophobicContact CG2-SD 3.54Å; V16-M44 VanDerWaalsContact CG2-SD 3.54Å; D41-M44 HydrophobicContact CB-CG 4.36Å; D41-M44 WeakPolarHBondContact O-CB 3.37Å; D41-M44 PolarHBondContact O-N 3.24Å; M44-R46 PolarHBondContact O-N 3.25Å; M44-I47 PolarHBondContact O-N 3.15Å; M44-L48 HydrophobicContact CE-CD1 4.22Å; M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 WeakPolarHBondContact O-CG 3.15Å; M44-L48 PolarHBondContact O-N 3.15Å; M44-A250 HydrophobicContact CE-CB 4.22Å; M44-A253 HydrophobicContact SD-CB 4.22Å; M44-F254 HydrophobicContact CG-CE2 3.81Å; M44-F254 HydrophobicContact CG-CZ 3.92Å; M44-F254 HydrophobicContact SD-CE2 3.73Å; M44-F254 HydrophobicContact SD-CZ 4.33Å
45I96.8Very high96Very high1 Ų131.8 Ų31.81%0.00517%0.166CC..Hα-helixtrans-60.1-46.8-180-61.1167000110.4V36 D41 I47 L48 D49 F55 V66 L69V36-I45 HydrophobicContact CG1-CD1 4.2Å; D41-I45 PolarHBondContact O-N 3Å; I45-I47 PolarHBondContact O-N 3.31Å; I45-L48 PolarHBondContact O-N 3.03Å; I45-D49 VanDerWaalsContact O-CB 3.25Å; I45-D49 WeakPolarHBondContact O-CB 3.3Å; I45-D49 PolarHBondContact O-N 2.99Å; I45-F55 HydrophobicContact CB-CE1 4.25Å; I45-F55 HydrophobicContact CG1-CE1 4.46Å; I45-F55 HydrophobicContact CG2-CD1 4.35Å; I45-F55 HydrophobicContact CG2-CE1 3.68Å; I45-F55 HydrophobicContact CG2-CZ 3.83Å; I45-F55 WeakPolarHBondContact O-CZ 3.44Å; I45-V66 HydrophobicContact CD1-CG1 4.16Å; I45-V66 HydrophobicContact CG2-CB 4.38Å; I45-V66 HydrophobicContact CG2-CG1 4.02Å; I45-L69 HydrophobicContact CB-CD1 3.68Å; I45-L69 HydrophobicContact CD1-CD1 4.19Å; I45-L69 HydrophobicContact CG2-CD1 3.49Å; I45-L69 VanDerWaalsContact CG2-CD1 3.49Å
46R95.6Very high96.1Very high144 Ų14431.7 Ų31.754%0.54317%0.166SC..Hα-helixtrans-61.8-43.5179.2-79.2176.5178.6-99.5-5.5113.3P42 M43 M44 D49 I50 L69P42-R46 WeakPolarHBondContact O-CB 3.23Å; P42-R46 VanDerWaalsContact O-CG 3.26Å; P42-R46 WeakPolarHBondContact O-CG 3.36Å; P42-R46 PolarHBondContact O-N 3.3Å; M43-R46 PolarHBondContact O-N 2.89Å; M44-R46 PolarHBondContact O-N 3.25Å; R46-D49 PolarHBondContact O-N 3.39Å; R46-I50 VanDerWaalsContact O-CG1 3.29Å; R46-I50 WeakPolarHBondContact O-CG1 3.45Å; R46-I50 PolarHBondContact O-N 2.98Å; R46-L69 HydrophobicContact CG-CD1 4.29Å; R46-L69 HydrophobicContact CG-CD2 4.14Å
47I95.1Very high96.1Very high21 Ų2131.7 Ų31.711%0.10817%0.166CC..Hα-helixtrans-66.8-47.2-179.8-70.5156000110.1V13 V16 L17 M43 M44 I45 D49 I50 L51V13-I47 HydrophobicContact CB-CD1 4.07Å; V13-I47 HydrophobicContact CG1-CD1 3.51Å; V13-I47 HydrophobicContact CG1-CG1 4.2Å; V13-I47 HydrophobicContact CG1-CG2 4.49Å; V13-I47 HydrophobicContact CG2-CD1 3.57Å; V16-I47 HydrophobicContact CB-CG2 4.34Å; V16-I47 HydrophobicContact CG1-CG2 3.89Å; L17-I47 HydrophobicContact CD2-CG2 4.33Å; M43-I47 HydrophobicContact CG-CD1 3.91Å; M43-I47 WeakPolarHBondContact O-CD1 3.32Å; M43-I47 WeakPolarHBondContact O-CG1 3.41Å; M43-I47 PolarHBondContact O-N 3.06Å; M43-I47 HydrophobicContact SD-CD1 3.14Å; M43-I47 WeakPolarHBondContact SD-CD1 3.42Å; M43-I47 HydrophobicContact SD-CG1 4.43Å; M44-I47 PolarHBondContact O-N 3.15Å; I45-I47 PolarHBondContact O-N 3.31Å; I47-D49 VanDerWaalsContact C-N 3.25Å; I47-D49 PolarHBondContact O-N 2.93Å; I47-I50 PolarHBondContact O-N 3.03Å; I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.34Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.31Å
48L97.5Very high96.2Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-63.8-34179.1-70.7170000111.9V16 Y34 M44 I45 L51 G52 C53 F55 Y249V16-L48 HydrophobicContact CG1-CD2 3.81Å; V16-L48 HydrophobicContact CG1-CG 4.1Å; Y34-L48 HydrophobicContact CD1-CD1 3.68Å; Y34-L48 HydrophobicContact CD2-CD1 3.58Å; Y34-L48 HydrophobicContact CE1-CD1 4.13Å; Y34-L48 HydrophobicContact CE2-CD1 4.05Å; Y34-L48 HydrophobicContact CG-CD1 3.38Å; M44-L48 HydrophobicContact CE-CD1 4.22Å; M44-L48 WeakPolarHBondContact O-CB 3.43Å; M44-L48 WeakPolarHBondContact O-CG 3.15Å; M44-L48 PolarHBondContact O-N 3.15Å; I45-L48 PolarHBondContact O-N 3.03Å; L48-L51 HydrophobicContact CD2-CD1 4.49Å; L48-L51 PolarHBondContact O-N 3Å; L48-G52 PolarHBondContact O-N 2.71Å; L48-C53 HydrophobicContact CB-CB 3.89Å; L48-C53 HydrophobicContact CD2-CB 4.26Å; L48-C53 WeakPolarHBondContact O-CA 3.46Å; L48-C53 WeakPolarHBondContact O-CB 3.36Å; L48-C53 PolarHBondContact O-N 2.68Å; L48-F55 HydrophobicContact CB-CE1 4.27Å; L48-F55 HydrophobicContact CB-CZ 4.25Å; L48-Y249 HydrophobicContact CD1-CG 4.42Å; L48-Y249 HydrophobicContact CD2-CD1 3.48Å; L48-Y249 VanDerWaalsContact CD2-CD1 3.48Å; L48-Y249 HydrophobicContact CD2-CD2 4.41Å; L48-Y249 HydrophobicContact CD2-CE1 3.58Å; L48-Y249 HydrophobicContact CD2-CG 3.91Å
49D97.4Very high96.3Very high34 Ų3431 Ų3118%0.18217%0.171CC..Hα-helixtrans-62.6-48.3172.6-178.432.3000111.8I45 R46 I47 L51 G52 F55 V71 R75I45-D49 VanDerWaalsContact O-CB 3.25Å; I45-D49 WeakPolarHBondContact O-CB 3.3Å; I45-D49 PolarHBondContact O-N 2.99Å; R46-D49 PolarHBondContact O-N 3.39Å; I47-D49 VanDerWaalsContact C-N 3.25Å; I47-D49 PolarHBondContact O-N 2.93Å; D49-L51 VanDerWaalsContact C-N 3.26Å; D49-L51 PolarHBondContact O-N 3.12Å; D49-G52 PolarHBondContact O-N 2.77Å; D49-F55 HydrophobicContact CB-CE2 4.12Å; D49-F55 HydrophobicContact CB-CZ 3.96Å; D49-V71 HydrophobicContact CB-CG2 4.32Å; D49-R75 PolarHBondContact O-NH2 3.49Å; D49-R75 IonicContact OD1-CZ 2.85Å; D49-R75 IonicContact OD1-NH1 3.03Å; D49-R75 PolarHBondContact OD1-NH1 3.26Å; D49-R75 IonicContact OD1-NH2 3.22Å; D49-R75 PolarHBondContact OD1-NH2 2.85Å
50I96.2Very high96.5Very high121 Ų12135.5 Ų35.562%0.62119%0.19SC*.Hα-helixtrans-59.2-38176-69.8165.1000111.3R46 I47 G52R46-I50 VanDerWaalsContact O-CG1 3.29Å; R46-I50 WeakPolarHBondContact O-CG1 3.45Å; R46-I50 PolarHBondContact O-N 2.98Å; I47-I50 PolarHBondContact O-N 3.03Å; I50-G52 PolarHBondContact O-N 3.15Å
51L96.1Very high96.7Very high35 Ų3533.7 Ų33.718%0.18319%0.19CC..THydrogen-bonded Turntrans-75.1-0.6176.9-64.8171.4000113.6L17 H20 I47 L48 D49L17-L51 HydrophobicContact CD2-CD1 3.93Å; L17-L51 HydrophobicContact CD2-CD2 3.82Å; L17-L51 HydrophobicContact CD2-CG 4.32Å; H20-L51 HydrophobicContact CB-CD1 3.81Å; H20-L51 PolarHBondContact NE2-O 3.47Å; H20-L51 VanDerWaalsContact NE2-O 3.14Å; I47-L51 HydrophobicContact CG2-CD1 3.78Å; I47-L51 HydrophobicContact CG2-CG 4.34Å; I47-L51 VanDerWaalsContact O-CG 3.26Å; I47-L51 WeakPolarHBondContact O-CG 3.43Å; I47-L51 PolarHBondContact O-N 3.31Å; L48-L51 HydrophobicContact CD2-CD1 4.49Å; L48-L51 PolarHBondContact O-N 3Å; D49-L51 VanDerWaalsContact C-N 3.26Å; D49-L51 PolarHBondContact O-N 3.12Å
52G96.4Very high96.9Very high35 Ų3533.9 Ų33.936%0.36119%0.19SC..THydrogen-bonded Turntrans7914.8179.600000114.7Q31 L48 D49 I50Q31-G52 PolarHBondContact NE2-O 2.84Å; L48-G52 PolarHBondContact O-N 2.71Å; D49-G52 PolarHBondContact O-N 2.77Å; I50-G52 PolarHBondContact O-N 3.15Å
53C97.4Very high97.1Very high0 Ų030.5 Ų30.50%017%0.168CC..  trans-71.4144.4171.2-165.60000110.4P32 L48 F55 R75P32-C53 PolarHBondContact O-SG 3.01Å; P32-C53 VanDerWaalsContact O-SG 3.4Å; L48-C53 HydrophobicContact CB-CB 3.89Å; L48-C53 HydrophobicContact CD2-CB 4.26Å; L48-C53 WeakPolarHBondContact O-CA 3.46Å; L48-C53 WeakPolarHBondContact O-CB 3.36Å; L48-C53 PolarHBondContact O-N 2.68Å; C53-F55 WeakPolarHBondContact O-CE2 3.48Å; C53-R75 PolarHBondContact O-NH2 3.44Å
54N98.6Very high97.4Very high9 Ų932.2 Ų32.25%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-93.1-172.8172.7-68.1-22.3000110Q31 P32 F33 Y34 R75 R240Q31-N54 WeakPolarHBondContact CG-ND2 3.23Å; P32-N54 PolarHBondContact O-N 2.71Å; F33-N54 CarbonylContact C-O 3.48Å; F33-N54 WeakPolarHBondContact CA-O 3.3Å; F33-N54 HydrophobicContact CB-CB 4.28Å; F33-N54 HydrophobicContact CD1-CB 3.33Å; F33-N54 HydrophobicContact CD2-CB 3.7Å; F33-N54 HydrophobicContact CE1-CB 3.42Å; F33-N54 VanDerWaalsContact CE1-CB 3.42Å; F33-N54 HydrophobicContact CE2-CB 3.75Å; F33-N54 VanDerWaalsContact CE2-ND2 3.33Å; F33-N54 WeakPolarHBondContact CE2-ND2 3.28Å; F33-N54 HydrophobicContact CG-CB 3.49Å; F33-N54 VanDerWaalsContact CG-CB 3.49Å; F33-N54 HydrophobicContact CZ-CB 3.63Å; F33-N54 WeakPolarHBondContact CZ-ND2 3.24Å; Y34-N54 PolarHBondContact N-O 3.34Å; N54-R75 HydrophobicContact CB-CB 4.32Å; N54-R75 VanDerWaalsContact CB-O 3.28Å; N54-R75 WeakPolarHBondContact CB-O 3.14Å; N54-R75 VanDerWaalsContact OD1-CB 3.29Å; N54-R75 WeakPolarHBondContact OD1-CB 3.44Å; N54-R75 VanDerWaalsContact OD1-CG 3.23Å; N54-R75 WeakPolarHBondContact OD1-CG 3.4Å; N54-R75 PolarHBondContact OD1-NE 3.4Å; N54-R240 PolarHBondContact ND2-NH2 3.01Å
55F98.8Very high97.5Very high0 Ų035 Ų350%020%0.196CC..EExtended strand (participates in β ladder)trans-136.3126.2-172.8-62.2-83.8000113.3Y34 V36 I45 L48 D49 C53 V66 V71 R75 I76 I77Y34-F55 HydrophobicContact CD1-CD1 4.18Å; Y34-F55 HydrophobicContact CD1-CE1 4.24Å; V36-F55 HydrophobicContact CG2-CB 4.2Å; V36-F55 HydrophobicContact CG2-CD1 3.93Å; I45-F55 HydrophobicContact CB-CE1 4.25Å; I45-F55 HydrophobicContact CG1-CE1 4.46Å; I45-F55 HydrophobicContact CG2-CD1 4.35Å; I45-F55 HydrophobicContact CG2-CE1 3.68Å; I45-F55 HydrophobicContact CG2-CZ 3.83Å; I45-F55 WeakPolarHBondContact O-CZ 3.44Å; L48-F55 HydrophobicContact CB-CE1 4.27Å; L48-F55 HydrophobicContact CB-CZ 4.25Å; D49-F55 HydrophobicContact CB-CE2 4.12Å; D49-F55 HydrophobicContact CB-CZ 3.96Å; C53-F55 WeakPolarHBondContact O-CE2 3.48Å; F55-V66 HydrophobicContact CB-CG1 4.27Å; F55-V66 HydrophobicContact CD1-CG1 4.11Å; F55-V66 HydrophobicContact CG-CG1 4.12Å; F55-V71 HydrophobicContact CD2-CB 4.35Å; F55-V71 HydrophobicContact CD2-CG1 3.56Å; F55-V71 HydrophobicContact CD2-CG2 3.86Å; F55-V71 HydrophobicContact CE2-CB 4.39Å; F55-V71 HydrophobicContact CE2-CG1 3.95Å; F55-V71 HydrophobicContact CE2-CG2 3.48Å; F55-V71 VanDerWaalsContact CE2-CG2 3.48Å; F55-V71 HydrophobicContact CZ-CG2 4.22Å; F55-R75 PolarHBondContact N-O 2.88Å; F55-I76 WeakPolarHBondContact O-CA 3.42Å; F55-I77 PolarHBondContact O-N 3.03Å
56D98.7Very high97.6Very high0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-85.5117.6163.1156.933.4000108.6F33 Y34 A35 V36 K37 I77 A79 E244F33-D56 HydrophobicContact CB-CB 4.48Å; Y34-D56 PolarHBondContact O-N 3.18Å; A35-D56 HydrophobicContact CB-CB 4.4Å; A35-D56 WeakPolarHBondContact CB-OD2 3.49Å; V36-D56 WeakPolarHBondContact CG2-O 3.31Å; V36-D56 PolarHBondContact N-O 3.38Å; K37-D56 IonicContact NZ-OD1 2.89Å; K37-D56 IonicContact NZ-OD2 2.72Å; K37-D56 PolarHBondContact NZ-OD2 2.96Å; D56-I77 HydrophobicContact CB-CG2 3.89Å; D56-A79 VanDerWaalsContact OD1-CB 3.27Å; D56-A79 WeakPolarHBondContact OD1-CB 3.35Å; D56-E244 HydrophobicContact CB-CB 4.32Å; D56-E244 HydrophobicContact CB-CG 4.17Å
57C98.7Very high97.7Very high0 Ų030.5 Ų30.50%018%0.181CC..EExtended strand (participates in β ladder)trans-112.8137.5173.6-68.50000110.7E62 I63 I76 I77 Y78 A79C57-E62 WeakPolarHBondContact CA-OE2 3.5Å; C57-E62 HydrophobicContact CB-CB 3.88Å; C57-I63 HydrophobicContact CB-CG1 3.74Å; C57-I76 HydrophobicContact CB-CG2 4.15Å; C57-I77 PolarHBondContact N-O 3.5Å; C57-Y78 CarbonylContact O-C 3.11Å; C57-Y78 VanDerWaalsContact O-CA 3.29Å; C57-Y78 WeakPolarHBondContact O-CA 3.35Å; C57-Y78 WeakPolarHBondContact O-CD2 3.39Å; C57-A79 PolarHBondContact O-N 2.97Å; C57-A79 VanDerWaalsContact O-N 3.11Å
58A98.1Very high97.8Very high22 Ų2238.4 Ų38.418%0.18222%0.215CC..  trans-106.5-4-179.700000113.8K37 E62 Y78 N80K37-A58 HydrophobicContact CD-CB 4.34Å; A58-E62 PolarHBondContact N-OE2 3.41Å; A58-Y78 WeakPolarHBondContact O-CE2 3.4Å; A58-N80 HydrophobicContact CB-CB 4.44Å; A58-N80 PolarHBondContact O-ND2 2.98Å
59S97.9Very high97.8Very high35 Ų3540.1 Ų40.125%0.24522%0.224CC..SBendtrans-153.5164.2-178.975.20000113.6G61 E62 I63S59-G61 PolarHBondContact O-N 2.8Å; S59-G61 PolarHBondContact OG-N 2.98Å; S59-E62 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact OG-N 3.39Å; S59-I63 WeakPolarHBondContact O-CG1 3.42Å; S59-I63 PolarHBondContact O-N 3.47Å; S59-I63 VanDerWaalsContact O-N 3.09Å
60K97.8Very high97.8Very high94 Ų9441.1 Ų41.141%0.40924%0.242SC..Hα-helixtrans-50.4-42.8166.9166.2170.8-176.2-169.60112.2E62 I63 E64 H87 H90K60-E62 VanDerWaalsContact C-N 3.33Å; K60-E62 PolarHBondContact O-N 2.95Å; K60-I63 PolarHBondContact O-N 3Å; K60-E64 HydrophobicContact CG-CG 4.49Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 3.38Å; K60-H87 HydrophobicContact CB-CB 4.44Å; K60-H90 HydrophobicContact CD-CB 4.22Å; K60-H90 VanDerWaalsContact CG-CD2 3.47Å; K60-H90 WeakPolarHBondContact CG-CD2 3.4Å
61G97.7Very high97.9Very high40 Ų4035.5 Ų35.541%0.41221%0.214SC..Hα-helixtrans-64-37.5-178.700000113S59 S65S59-G61 PolarHBondContact O-N 2.8Å; S59-G61 PolarHBondContact OG-N 2.98Å; G61-S65 WeakPolarHBondContact O-CB 3.35Å; G61-S65 PolarHBondContact O-N 3.37Å; G61-S65 PolarHBondContact O-OG 2.81Å
62E98.4Very high97.9Very high28 Ų2837.2 Ų37.213%0.13123%0.226CC..Hα-helixtrans-71.3-44.5177-70.1179.7-176.200111.8V36 K37 C57 A58 S59 K60 E64 S65 V66V36-E62 HydrophobicContact CB-CG 4.41Å; V36-E62 HydrophobicContact CG1-CB 4.2Å; V36-E62 HydrophobicContact CG1-CG 3.97Å; K37-E62 WeakPolarHBondContact CA-OE1 3.25Å; K37-E62 WeakPolarHBondContact CB-OE1 3.41Å; C57-E62 WeakPolarHBondContact CA-OE2 3.5Å; C57-E62 HydrophobicContact CB-CB 3.88Å; A58-E62 PolarHBondContact N-OE2 3.41Å; S59-E62 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact OG-N 3.39Å; K60-E62 VanDerWaalsContact C-N 3.33Å; K60-E62 PolarHBondContact O-N 2.95Å; E62-E64 VanDerWaalsContact C-N 3.31Å; E62-E64 PolarHBondContact O-N 3.17Å; E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 3.4Å; E62-V66 PolarHBondContact O-N 2.99Å
63I98.7Very high98Very high0 Ų036.5 Ų36.50%022%0.216CC..Hα-helixtrans-54.2-49.4174.5-67.5171.9000110.1C57 S59 K60 S65 V66 M67 I76 Y78 A91 R94 V96C57-I63 HydrophobicContact CB-CG1 3.74Å; S59-I63 WeakPolarHBondContact O-CG1 3.42Å; S59-I63 PolarHBondContact O-N 3.47Å; S59-I63 VanDerWaalsContact O-N 3.09Å; K60-I63 PolarHBondContact O-N 3Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.06Å; I63-V66 VanDerWaalsContact O-CG2 3.3Å; I63-V66 WeakPolarHBondContact O-CG2 3.13Å; I63-V66 PolarHBondContact O-N 2.87Å; I63-M67 HydrophobicContact CG2-CG 4.35Å; I63-M67 HydrophobicContact CG2-SD 3.72Å; I63-M67 WeakPolarHBondContact O-CB 3.48Å; I63-M67 VanDerWaalsContact O-CG 3.23Å; I63-M67 WeakPolarHBondContact O-CG 3.31Å; I63-M67 PolarHBondContact O-N 3.02Å; I63-I76 HydrophobicContact CG1-CG2 4.45Å; I63-Y78 HydrophobicContact CD1-CD1 4.02Å; I63-Y78 HydrophobicContact CD1-CE1 4.39Å; I63-Y78 HydrophobicContact CD1-CG 4.2Å; I63-A91 HydrophobicContact CD1-CB 4.23Å; I63-R94 HydrophobicContact CG2-CG 4.48Å; I63-V96 HydrophobicContact CG2-CG2 4.04Å
64E98.1Very high98Very high58 Ų5842 Ų4227%0.27125%0.246SC..Hα-helixtrans-62-38.7177.5-71.4-63.3128.300112.6K60 E62 K68 H90 R94K60-E64 HydrophobicContact CG-CG 4.49Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 3.38Å; E62-E64 VanDerWaalsContact C-N 3.31Å; E62-E64 PolarHBondContact O-N 3.17Å; E64-K68 WeakPolarHBondContact O-CB 3.46Å; E64-K68 PolarHBondContact O-N 3Å; E64-H90 IonicContact OE1-CE1 3.67Å; E64-H90 PolarHBondContact OE1-CE1 3.33Å; E64-H90 IonicContact OE1-NE2 3.99Å; E64-H90 PolarHBondContact OE1-NE2 3.03Å; E64-R94 IonicContact OE1-CZ 3.78Å; E64-R94 IonicContact OE1-NE 2.84Å; E64-R94 PolarHBondContact OE1-NE 3.47Å; E64-R94 IonicContact OE1-NH2 2.77Å; E64-R94 PolarHBondContact OE1-NH2 3.38Å; E64-R94 IonicContact OE2-CZ 2.67Å; E64-R94 IonicContact OE2-NH2 3.16Å; E64-R94 PolarHBondContact OE2-NH2 2.99Å
65S97.2Very high98Very high58 Ų5844.1 Ų44.141%0.40625%0.253SS..Hα-helixtrans-66.9-43.1-177.8-61.80000112.2G61 E62 I63 L69G61-S65 WeakPolarHBondContact O-CB 3.35Å; G61-S65 PolarHBondContact O-N 3.37Å; G61-S65 PolarHBondContact O-OG 2.81Å; E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 3.4Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.06Å; S65-L69 WeakPolarHBondContact O-CG 3.33Å
66V98.2Very high98Very high0 Ų044.2 Ų44.20%025%0.254CS..Hα-helixtrans-72.5-42.1177.3-59.90000111.6V36 I45 F55 E62 I63 K68 L69 V71 I76V36-V66 HydrophobicContact CG1-CG1 4.49Å; V36-V66 HydrophobicContact CG2-CG1 3.66Å; I45-V66 HydrophobicContact CD1-CG1 4.16Å; I45-V66 HydrophobicContact CG2-CB 4.38Å; I45-V66 HydrophobicContact CG2-CG1 4.02Å; F55-V66 HydrophobicContact CB-CG1 4.27Å; F55-V66 HydrophobicContact CD1-CG1 4.11Å; F55-V66 HydrophobicContact CG-CG1 4.12Å; E62-V66 PolarHBondContact O-N 2.99Å; I63-V66 VanDerWaalsContact O-CG2 3.3Å; I63-V66 WeakPolarHBondContact O-CG2 3.13Å; I63-V66 PolarHBondContact O-N 2.87Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 2.9Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-V71 HydrophobicContact CB-CB 4.24Å; V66-V71 HydrophobicContact CB-CG2 4.21Å; V66-V71 WeakPolarHBondContact O-CB 3.04Å; V66-V71 WeakPolarHBondContact O-CG2 3.34Å; V66-V71 PolarHBondContact O-N 3.14Å; V66-I76 HydrophobicContact CG2-CD1 3.52Å; V66-I76 HydrophobicContact CG2-CG1 4.08Å
67M98.2Very high98Very high50 Ų5044.2 Ų44.225%0.24625%0.254CS..Hα-helixtrans-66.5-34.3179.7-69.2-174.482.600112.2I63 L69 G70 A73 I76 R94I63-M67 HydrophobicContact CG2-CG 4.35Å; I63-M67 HydrophobicContact CG2-SD 3.72Å; I63-M67 WeakPolarHBondContact O-CB 3.48Å; I63-M67 VanDerWaalsContact O-CG 3.23Å; I63-M67 WeakPolarHBondContact O-CG 3.31Å; I63-M67 PolarHBondContact O-N 3.02Å; M67-L69 PolarHBondContact O-N 3.3Å; M67-L69 VanDerWaalsContact O-N 3.15Å; M67-G70 PolarHBondContact O-N 3.27Å; M67-A73 HydrophobicContact CE-CB 4.45Å; M67-I76 HydrophobicContact CG-CD1 3.64Å; M67-I76 HydrophobicContact SD-CD1 4.32Å; M67-R94 HydrophobicContact CE-CB 4.23Å; M67-R94 HydrophobicContact SD-CB 3.87Å; M67-R94 HydrophobicContact SD-CG 4.06Å
68K97.7Very high98Very high188 Ų18844.2 Ų44.282%0.81725%0.254SS*.THydrogen-bonded Turntrans-60-22.6173.3-176.8176.5179.7-178.10112.8E64 V66E64-K68 WeakPolarHBondContact O-CB 3.46Å; E64-K68 PolarHBondContact O-N 3Å; V66-K68 VanDerWaalsContact C-N 3.32Å; V66-K68 PolarHBondContact O-N 2.9Å
69L97.2Very high98Very high35 Ų3543.4 Ų43.418%0.18325%0.247CC..THydrogen-bonded Turntrans-90.6-2.4177.3-63.6174.2000113.5P42 I45 R46 S65 V66 M67P42-L69 HydrophobicContact CB-CD1 4.15Å; P42-L69 HydrophobicContact CB-CD2 4.48Å; I45-L69 HydrophobicContact CB-CD1 3.68Å; I45-L69 HydrophobicContact CD1-CD1 4.19Å; I45-L69 HydrophobicContact CG2-CD1 3.49Å; I45-L69 VanDerWaalsContact CG2-CD1 3.49Å; R46-L69 HydrophobicContact CG-CD1 4.29Å; R46-L69 HydrophobicContact CG-CD2 4.14Å; S65-L69 WeakPolarHBondContact O-CG 3.33Å; V66-L69 WeakPolarHBondContact O-CB 3.26Å; V66-L69 PolarHBondContact O-N 2.96Å; M67-L69 PolarHBondContact O-N 3.3Å; M67-L69 VanDerWaalsContact O-N 3.15Å
70G96.9Very high98Very high56 Ų5643.5 Ų43.558%0.57725%0.245SC*.THydrogen-bonded Turntrans107.1-2.9176.600000114.7M67 T72M67-G70 PolarHBondContact O-N 3.27Å; G70-T72 PolarHBondContact O-N 3.49Å
71V98.1Very high98Very high3 Ų339.1 Ų39.12%0.01823%0.225CC..  trans-64.7128.3179.2-1800000110.5D49 F55 V66 R75 I76D49-V71 HydrophobicContact CB-CG2 4.32Å; F55-V71 HydrophobicContact CD2-CB 4.35Å; F55-V71 HydrophobicContact CD2-CG1 3.56Å; F55-V71 HydrophobicContact CD2-CG2 3.86Å; F55-V71 HydrophobicContact CE2-CB 4.39Å; F55-V71 HydrophobicContact CE2-CG1 3.95Å; F55-V71 HydrophobicContact CE2-CG2 3.48Å; F55-V71 VanDerWaalsContact CE2-CG2 3.48Å; F55-V71 HydrophobicContact CZ-CG2 4.22Å; V66-V71 HydrophobicContact CB-CB 4.24Å; V66-V71 HydrophobicContact CB-CG2 4.21Å; V66-V71 WeakPolarHBondContact O-CB 3.04Å; V66-V71 WeakPolarHBondContact O-CG2 3.34Å; V66-V71 PolarHBondContact O-N 3.14Å; V71-R75 HydrophobicContact CG1-CB 4.14Å; V71-I76 HydrophobicContact CG1-CD1 4.21Å; V71-I76 HydrophobicContact CG1-CG1 3.92Å
72T97.9Very high98Very high71 Ų7140 Ų4044%0.43622%0.224SC..  trans-81.5153.2179.158.80000112G70 D74 R75G70-T72 PolarHBondContact O-N 3.49Å; T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 WeakPolarHBondContact CB-OD1 3.46Å; T72-D74 PolarHBondContact O-N 3.23Å; T72-D74 PolarHBondContact OG1-OD1 2.88Å; T72-R75 PolarHBondContact O-N 3Å; T72-R75 VanDerWaalsContact O-N 3.09Å
73A98.3Very high98Very high19 Ų1938.8 Ų38.816%0.15722%0.219CC..G310 helixtrans-64.6-25.6-171.500000114.6M67 R75 I76 R94 V96M67-A73 HydrophobicContact CE-CB 4.45Å; A73-R75 PolarHBondContact O-N 3.18Å; A73-I76 PolarHBondContact O-N 3.15Å; A73-R94 WeakPolarHBondContact CB-O 3.44Å; A73-V96 HydrophobicContact CB-CG2 4.06Å
74D97.7Very high97.9Very high117 Ų11742.6 Ų42.663%0.62624%0.242SC*.G310 helixtrans-72.1-14.8176.862.9-63.9000113.6T72T72-D74 VanDerWaalsContact C-N 3.27Å; T72-D74 WeakPolarHBondContact CB-OD1 3.46Å; T72-D74 PolarHBondContact O-N 3.23Å; T72-D74 PolarHBondContact OG1-OD1 2.88Å
75R98.3Very high97.9Very high52 Ų5242 Ų4220%0.19625%0.247CC..G310 helixtrans-97.711.9174.5-64.4-179.962.2-162.6-0.5112.9D49 C53 N54 F55 V71 T72 A73D49-R75 PolarHBondContact O-NH2 3.49Å; D49-R75 IonicContact OD1-CZ 2.85Å; D49-R75 IonicContact OD1-NH1 3.03Å; D49-R75 PolarHBondContact OD1-NH1 3.26Å; D49-R75 IonicContact OD1-NH2 3.22Å; D49-R75 PolarHBondContact OD1-NH2 2.85Å; C53-R75 PolarHBondContact O-NH2 3.44Å; N54-R75 HydrophobicContact CB-CB 4.32Å; N54-R75 VanDerWaalsContact CB-O 3.28Å; N54-R75 WeakPolarHBondContact CB-O 3.14Å; N54-R75 VanDerWaalsContact OD1-CB 3.29Å; N54-R75 WeakPolarHBondContact OD1-CB 3.44Å; N54-R75 VanDerWaalsContact OD1-CG 3.23Å; N54-R75 WeakPolarHBondContact OD1-CG 3.4Å; N54-R75 PolarHBondContact OD1-NE 3.4Å; F55-R75 PolarHBondContact N-O 2.88Å; V71-R75 HydrophobicContact CG1-CB 4.14Å; T72-R75 PolarHBondContact O-N 3Å; T72-R75 VanDerWaalsContact O-N 3.09Å; A73-R75 PolarHBondContact O-N 3.18Å
76I98.8Very high97.9Very high3 Ų342.2 Ų42.22%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-119.2131.4-179.8-57.3171.5000109.8F55 C57 I63 V66 M67 V71 A73 V96F55-I76 WeakPolarHBondContact O-CA 3.42Å; C57-I76 HydrophobicContact CB-CG2 4.15Å; I63-I76 HydrophobicContact CG1-CG2 4.45Å; V66-I76 HydrophobicContact CG2-CD1 3.52Å; V66-I76 HydrophobicContact CG2-CG1 4.08Å; M67-I76 HydrophobicContact CG-CD1 3.64Å; M67-I76 HydrophobicContact SD-CD1 4.32Å; V71-I76 HydrophobicContact CG1-CD1 4.21Å; V71-I76 HydrophobicContact CG1-CG1 3.92Å; A73-I76 PolarHBondContact O-N 3.15Å; I76-V96 HydrophobicContact CB-CG1 4.09Å; I76-V96 HydrophobicContact CB-CG2 4.23Å; I76-V96 HydrophobicContact CD1-CG2 4.2Å; I76-V96 HydrophobicContact CG2-CG1 3.79Å; I76-V96 HydrophobicContact CG2-CG2 4.23Å
77I98.8Very high97.9Very high0 Ų044.4 Ų44.40%026%0.259CS..EExtended strand (participates in β ladder)trans-106.7133162.4-174.8173.8000109.2F33 F55 D56 C57 A79 L98 T100 L120 I242F33-I77 HydrophobicContact CB-CG2 4.27Å; F33-I77 HydrophobicContact CD1-CB 4.13Å; F33-I77 HydrophobicContact CD1-CG2 3.61Å; F33-I77 HydrophobicContact CE1-CB 4.32Å; F33-I77 HydrophobicContact CE1-CG2 4.29Å; F33-I77 HydrophobicContact CG-CG2 4.2Å; F55-I77 PolarHBondContact O-N 3.03Å; D56-I77 HydrophobicContact CB-CG2 3.89Å; C57-I77 PolarHBondContact N-O 3.5Å; I77-A79 HydrophobicContact CD1-CB 4.19Å; I77-A79 HydrophobicContact CG1-CB 4.12Å; I77-A79 HydrophobicContact CG2-CB 4.34Å; I77-A79 PolarHBondContact O-N 3.21Å; I77-L98 HydrophobicContact CB-CD2 4.21Å; I77-L98 HydrophobicContact CB-CG 4.49Å; I77-L98 HydrophobicContact CD1-CD2 3.86Å; I77-L98 HydrophobicContact CD1-CG 4.02Å; I77-L98 HydrophobicContact CG1-CB 4.26Å; I77-L98 HydrophobicContact CG1-CD2 3.98Å; I77-L98 HydrophobicContact CG1-CG 3.91Å; I77-T100 HydrophobicContact CD1-CG2 4.32Å; I77-L120 HydrophobicContact CD1-CD1 3.7Å; I77-I242 HydrophobicContact CD1-CD1 4.28Å
78Y98.6Very high97.9Very high0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-91.179.3170.6-170179.4000109.7C57 A58 I63 N80 K83 H87 A91 L98 M99 T100C57-Y78 CarbonylContact O-C 3.11Å; C57-Y78 VanDerWaalsContact O-CA 3.29Å; C57-Y78 WeakPolarHBondContact O-CA 3.35Å; C57-Y78 WeakPolarHBondContact O-CD2 3.39Å; A58-Y78 WeakPolarHBondContact O-CE2 3.4Å; I63-Y78 HydrophobicContact CD1-CD1 4.02Å; I63-Y78 HydrophobicContact CD1-CE1 4.39Å; I63-Y78 HydrophobicContact CD1-CG 4.2Å; Y78-N80 VanDerWaalsContact C-N 3.28Å; Y78-N80 HydrophobicContact CD2-CB 4.11Å; Y78-N80 HydrophobicContact CE2-CB 3.66Å; Y78-N80 PolarHBondContact O-N 2.92Å; Y78-N80 VanDerWaalsContact O-N 3.16Å; Y78-K83 HydrophobicContact CD1-CD 3.58Å; Y78-K83 HydrophobicContact CD1-CG 4.44Å; Y78-K83 HydrophobicContact CD2-CD 4.06Å; Y78-K83 HydrophobicContact CD2-CG 4.45Å; Y78-K83 HydrophobicContact CE1-CB 4.4Å; Y78-K83 HydrophobicContact CE1-CD 3.45Å; Y78-K83 VanDerWaalsContact CE1-CD 3.45Å; Y78-K83 HydrophobicContact CE1-CG 3.87Å; Y78-K83 HydrophobicContact CE2-CD 3.91Å; Y78-K83 HydrophobicContact CE2-CG 3.86Å; Y78-K83 HydrophobicContact CG-CD 3.92Å; Y78-H87 HydrophobicContact CE1-CB 4.1Å; Y78-H87 VanDerWaalsContact OH-CB 3.27Å; Y78-H87 WeakPolarHBondContact OH-CB 3.41Å; Y78-A91 HydrophobicContact CD1-CB 3.82Å; Y78-A91 HydrophobicContact CE1-CB 4.34Å; Y78-L98 PolarHBondContact N-O 3.34Å; Y78-M99 HydrophobicContact CD1-SD 4.43Å; Y78-M99 WeakPolarHBondContact O-CA 3.48Å; Y78-T100 PolarHBondContact O-N 2.9Å
79A98.2Very high97.9Very high4 Ų438.1 Ų38.13%0.03323%0.232CC..  trans-89.736.2-169.800000115.1D56 C57 I77 P81 T100 E244D56-A79 VanDerWaalsContact OD1-CB 3.27Å; D56-A79 WeakPolarHBondContact OD1-CB 3.35Å; C57-A79 PolarHBondContact O-N 2.97Å; C57-A79 VanDerWaalsContact O-N 3.11Å; I77-A79 HydrophobicContact CD1-CB 4.19Å; I77-A79 HydrophobicContact CG1-CB 4.12Å; I77-A79 HydrophobicContact CG2-CB 4.34Å; I77-A79 PolarHBondContact O-N 3.21Å; A79-P81 WeakPolarHBondContact O-CD 3.44Å; A79-T100 VanDerWaalsContact CA-OG1 3.29Å; A79-T100 WeakPolarHBondContact CA-OG1 3.4Å; A79-T100 HydrophobicContact CB-CG2 3.86Å; A79-T100 PolarHBondContact O-OG1 3.37Å; A79-E244 WeakPolarHBondContact CB-OE1 3.5Å
80N97.9Very high98Very high38 Ų3837.4 Ų37.420%0.20323%0.228CC..  trans-94.8116.7165.4-175.4-8.5000109.2A58 Y78 C82 K83 T100A58-N80 HydrophobicContact CB-CB 4.44Å; A58-N80 PolarHBondContact O-ND2 2.98Å; Y78-N80 VanDerWaalsContact C-N 3.28Å; Y78-N80 HydrophobicContact CD2-CB 4.11Å; Y78-N80 HydrophobicContact CE2-CB 3.66Å; Y78-N80 PolarHBondContact O-N 2.92Å; Y78-N80 VanDerWaalsContact O-N 3.16Å; N80-C82 PolarHBondContact ND2-O 3.16Å; N80-C82 PolarHBondContact O-N 3.4Å; N80-C82 PolarHBondContact OD1-N 2.91Å; N80-C82 PolarHBondContact OD1-O 2.92Å; N80-K83 HydrophobicContact CB-CG 4.11Å; N80-K83 WeakPolarHBondContact O-CD 3.39Å; N80-K83 WeakPolarHBondContact O-CG 3.43Å; N80-K83 PolarHBondContact O-NZ 2.77Å; N80-T100 VanDerWaalsContact C-OG1 3.31Å; N80-T100 PolarHBondContact N-OG1 3.01Å
81P97.3Very high98Very high1 Ų134.8 Ų34.81%0.00620%0.2CC..SBendtrans-66.1-25.2-179.5-21.933.9000113.5A79 D102 E106 R122 F138A79-P81 WeakPolarHBondContact O-CD 3.44Å; P81-D102 HydrophobicContact CB-CB 4.28Å; P81-D102 VanDerWaalsContact CB-CG 3.46Å; P81-D102 VanDerWaalsContact CB-OD2 3.3Å; P81-D102 WeakPolarHBondContact CB-OD2 3.46Å; P81-E106 WeakPolarHBondContact O-CG 3.17Å; P81-R122 VanDerWaalsContact CG-CD 3.49Å; P81-F138 HydrophobicContact CB-CD1 3.96Å; P81-F138 HydrophobicContact CB-CE1 4.37Å; P81-F138 HydrophobicContact CG-CB 4.36Å; P81-F138 HydrophobicContact CG-CD1 3.72Å; P81-F138 HydrophobicContact CG-CE1 4.21Å; P81-F138 HydrophobicContact CG-CG 4.17Å
82C97.2Very high98.1Very high58 Ų5836 Ų3639%0.39221%0.211SC..SBendtrans-120.691-175.8-66.80000111N80 F138N80-C82 PolarHBondContact ND2-O 3.16Å; N80-C82 PolarHBondContact O-N 3.4Å; N80-C82 PolarHBondContact OD1-N 2.91Å; N80-C82 PolarHBondContact OD1-O 2.92Å; C82-F138 HydrophobicContact CB-CE1 4.3Å
83K98.1Very high98.1Very high4 Ų437 Ų372%0.01722%0.22CC..  trans-100144.9-170.8-62.9166.5-72.9-54.10112.8Y78 N80 I88 T100 E106 K109Y78-K83 HydrophobicContact CD1-CD 3.58Å; Y78-K83 HydrophobicContact CD1-CG 4.44Å; Y78-K83 HydrophobicContact CD2-CD 4.06Å; Y78-K83 HydrophobicContact CD2-CG 4.45Å; Y78-K83 HydrophobicContact CE1-CB 4.4Å; Y78-K83 HydrophobicContact CE1-CD 3.45Å; Y78-K83 VanDerWaalsContact CE1-CD 3.45Å; Y78-K83 HydrophobicContact CE1-CG 3.87Å; Y78-K83 HydrophobicContact CE2-CD 3.91Å; Y78-K83 HydrophobicContact CE2-CG 3.86Å; Y78-K83 HydrophobicContact CG-CD 3.92Å; N80-K83 HydrophobicContact CB-CG 4.11Å; N80-K83 WeakPolarHBondContact O-CD 3.39Å; N80-K83 WeakPolarHBondContact O-CG 3.43Å; N80-K83 PolarHBondContact O-NZ 2.77Å; K83-I88 HydrophobicContact CB-CD1 3.99Å; K83-I88 HydrophobicContact CB-CG1 3.63Å; K83-I88 HydrophobicContact CD-CG1 4.15Å; K83-I88 HydrophobicContact CG-CG1 4.5Å; K83-T100 PolarHBondContact NZ-O 2.92Å; K83-E106 VanDerWaalsContact CB-OE1 3.29Å; K83-E106 WeakPolarHBondContact CB-OE1 3.46Å; K83-E106 WeakPolarHBondContact CE-OE1 3.26Å; K83-E106 PolarHBondContact N-OE1 2.85Å; K83-E106 PolarHBondContact N-OE2 2.9Å; K83-E106 IonicContact NZ-OE1 3.88Å; K83-E106 PolarHBondContact NZ-OE1 3.22Å; K83-K109 PolarHBondContact O-NZ 2.85Å
84T96.8Very high98Very high80 Ų8041.4 Ų41.449%0.49123%0.233SC..  trans-65.4137.4167-50.40000109.7S86 H87 I88T84-S86 VanDerWaalsContact C-N 3.3Å; T84-S86 WeakPolarHBondContact CG2-OG 3.38Å; T84-S86 PolarHBondContact O-N 2.94Å; T84-H87 WeakPolarHBondContact O-CA 3.29Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.38Å; T84-I88 PolarHBondContact O-N 3.37Å; T84-I88 VanDerWaalsContact O-N 3.13Å
85A97.7Very high98.1Very high44 Ų4437.3 Ų37.336%0.36422%0.218SC..Hα-helixtrans-52.5-44.9-178.300000113.2H87 I88 Q89 L113A85-H87 PolarHBondContact O-N 2.81Å; A85-I88 PolarHBondContact O-N 3.46Å; A85-Q89 PolarHBondContact O-N 2.87Å; A85-Q89 VanDerWaalsContact O-N 3.11Å; A85-L113 HydrophobicContact CB-CD1 3.59Å
86S97.7Very high98.1Very high63 Ų6334.8 Ų34.844%0.44121%0.209SC..Hα-helixtrans-63.9-26.1176.958.10000113.4T84 H90T84-S86 VanDerWaalsContact C-N 3.3Å; T84-S86 WeakPolarHBondContact CG2-OG 3.38Å; T84-S86 PolarHBondContact O-N 2.94Å; S86-H90 VanDerWaalsContact O-CB 3.32Å; S86-H90 WeakPolarHBondContact O-CB 3.35Å; S86-H90 PolarHBondContact O-N 3Å; S86-H90 VanDerWaalsContact O-N 3.08Å
87H98.1Very high98Very high47 Ų4741.7 Ų41.722%0.21824%0.235CC..Hα-helixtrans-79.3-33.7176.1-66.2-169.2000111.8K60 Y78 T84 A85 H90 A91K60-H87 HydrophobicContact CB-CB 4.44Å; Y78-H87 HydrophobicContact CE1-CB 4.1Å; Y78-H87 VanDerWaalsContact OH-CB 3.27Å; Y78-H87 WeakPolarHBondContact OH-CB 3.41Å; T84-H87 WeakPolarHBondContact O-CA 3.29Å; T84-H87 WeakPolarHBondContact O-CB 3.42Å; T84-H87 PolarHBondContact O-N 3.38Å; A85-H87 PolarHBondContact O-N 2.81Å; H87-H90 PolarHBondContact O-N 3.45Å; H87-A91 PolarHBondContact O-N 2.87Å
88I98.4Very high98Very high0 Ų042.6 Ų42.60%024%0.239CC..Hα-helixtrans-62.4-47.8171.1-61.8173.6000109.8K83 T84 A85 H90 A91 A92 K109 V110 L113K83-I88 HydrophobicContact CB-CD1 3.99Å; K83-I88 HydrophobicContact CB-CG1 3.63Å; K83-I88 HydrophobicContact CD-CG1 4.15Å; K83-I88 HydrophobicContact CG-CG1 4.5Å; T84-I88 PolarHBondContact O-N 3.37Å; T84-I88 VanDerWaalsContact O-N 3.13Å; A85-I88 PolarHBondContact O-N 3.46Å; I88-H90 PolarHBondContact O-N 3.36Å; I88-A91 PolarHBondContact O-N 2.74Å; I88-A92 PolarHBondContact O-N 2.87Å; I88-K109 HydrophobicContact CD1-CB 3.86Å; I88-V110 HydrophobicContact CD1-CG2 4.47Å; I88-L113 HydrophobicContact CB-CD1 4.32Å; I88-L113 HydrophobicContact CD1-CD1 4.38Å; I88-L113 HydrophobicContact CG2-CB 3.91Å
89Q98.2Very high98Very high105 Ų10542.6 Ų42.649%0.49124%0.239SC..Hα-helixtrans-60.1-37.2176.3-68.5177-54.400112.2A85 A92 S93 L113A85-Q89 PolarHBondContact O-N 2.87Å; A85-Q89 VanDerWaalsContact O-N 3.11Å; Q89-A92 WeakPolarHBondContact O-CB 3.29Å; Q89-A92 PolarHBondContact O-N 2.85Å; Q89-S93 PolarHBondContact O-N 3.31Å; Q89-L113 HydrophobicContact CG-CB 4.2Å; Q89-L113 HydrophobicContact CG-CD2 3.99Å; Q89-L113 HydrophobicContact CG-CG 4.46Å
90H98.4Very high98Very high21 Ų2142.5 Ų42.510%0.09724%0.238CC..Hα-helixtrans-68.1-43.6176.5-17970.7000112.7K60 E64 S86 H87 I88 A92 S93 R94K60-H90 HydrophobicContact CD-CB 4.22Å; K60-H90 VanDerWaalsContact CG-CD2 3.47Å; K60-H90 WeakPolarHBondContact CG-CD2 3.4Å; E64-H90 IonicContact OE1-CE1 3.67Å; E64-H90 PolarHBondContact OE1-CE1 3.33Å; E64-H90 IonicContact OE1-NE2 3.99Å; E64-H90 PolarHBondContact OE1-NE2 3.03Å; S86-H90 VanDerWaalsContact O-CB 3.32Å; S86-H90 WeakPolarHBondContact O-CB 3.35Å; S86-H90 PolarHBondContact O-N 3Å; S86-H90 VanDerWaalsContact O-N 3.08Å; H87-H90 PolarHBondContact O-N 3.45Å; I88-H90 PolarHBondContact O-N 3.36Å; H90-A92 PolarHBondContact O-N 3.48Å; H90-S93 PolarHBondContact O-N 3.03Å; H90-S93 PolarHBondContact O-OG 3.45Å; H90-R94 WeakPolarHBondContact O-CG 3.5Å; H90-R94 PolarHBondContact O-N 3.06Å
91A98.5Very high98.1Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-58.8-40.3173.100000111.2I63 Y78 H87 I88 R94 G95 V96I63-A91 HydrophobicContact CD1-CB 4.23Å; Y78-A91 HydrophobicContact CD1-CB 3.82Å; Y78-A91 HydrophobicContact CE1-CB 4.34Å; H87-A91 PolarHBondContact O-N 2.87Å; I88-A91 PolarHBondContact O-N 2.74Å; A91-R94 PolarHBondContact O-N 2.99Å; A91-G95 PolarHBondContact O-N 2.97Å; A91-V96 HydrophobicContact CB-CB 4.28Å; A91-V96 PolarHBondContact O-N 3.36Å
92A98.3Very high98.1Very high29 Ų2941.4 Ų41.424%0.2423%0.233CC..Hα-helixtrans-60.4-46.5173.500000112.5I88 Q89 H90 R94 G95 Y114I88-A92 PolarHBondContact O-N 2.87Å; Q89-A92 WeakPolarHBondContact O-CB 3.29Å; Q89-A92 PolarHBondContact O-N 2.85Å; H90-A92 PolarHBondContact O-N 3.48Å; A92-R94 VanDerWaalsContact C-N 3.25Å; A92-R94 PolarHBondContact O-N 3.15Å; A92-G95 PolarHBondContact O-N 2.86Å; A92-G95 VanDerWaalsContact O-N 3.15Å; A92-Y114 HydrophobicContact CB-CD1 3.61Å; A92-Y114 HydrophobicContact CB-CD2 3.63Å; A92-Y114 HydrophobicContact CB-CE1 3.82Å; A92-Y114 HydrophobicContact CB-CE2 3.83Å; A92-Y114 HydrophobicContact CB-CG 3.51Å
93S98Very high98.2Very high91 Ų9140.3 Ų40.364%0.63622%0.223SC*.Hα-helixtrans-69.4-22179.776.30000113.8Q89 H90Q89-S93 PolarHBondContact O-N 3.31Å; H90-S93 PolarHBondContact O-N 3.03Å; H90-S93 PolarHBondContact O-OG 3.45Å
94R98.1Very high98.2Very high112 Ų11245.2 Ų45.242%0.42325%0.246SC..Hα-helixtrans-91-6.7173.3-66.7-54.5-162.1-176.77.5114I63 E64 M67 A73 H90 A91 A92 V96I63-R94 HydrophobicContact CG2-CG 4.48Å; E64-R94 IonicContact OE1-CZ 3.78Å; E64-R94 IonicContact OE1-NE 2.84Å; E64-R94 PolarHBondContact OE1-NE 3.47Å; E64-R94 IonicContact OE1-NH2 2.77Å; E64-R94 PolarHBondContact OE1-NH2 3.38Å; E64-R94 IonicContact OE2-CZ 2.67Å; E64-R94 IonicContact OE2-NH2 3.16Å; E64-R94 PolarHBondContact OE2-NH2 2.99Å; M67-R94 HydrophobicContact CE-CB 4.23Å; M67-R94 HydrophobicContact SD-CB 3.87Å; M67-R94 HydrophobicContact SD-CG 4.06Å; A73-R94 WeakPolarHBondContact CB-O 3.44Å; H90-R94 WeakPolarHBondContact O-CG 3.5Å; H90-R94 PolarHBondContact O-N 3.06Å; A91-R94 PolarHBondContact O-N 2.99Å; A92-R94 VanDerWaalsContact C-N 3.25Å; A92-R94 PolarHBondContact O-N 3.15Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 HydrophobicContact CB-CG2 4.32Å; R94-V96 PolarHBondContact O-N 2.93Å
95G98Very high98.2Very high31 Ų3147.4 Ų47.432%0.3225%0.25SS..THydrogen-bonded Turntrans74.115.7-178.400000114.7A91 A92 R97A91-G95 PolarHBondContact O-N 2.97Å; A92-G95 PolarHBondContact O-N 2.86Å; A92-G95 VanDerWaalsContact O-N 3.15Å; G95-R97 PolarHBondContact O-N 3.33Å
96V98.5Very high98.3Very high0 Ų045.3 Ų45.30%023%0.233CC..  trans-75.1102.7173.8177.30000107.8I63 A73 I76 A91 R94 Y114I63-V96 HydrophobicContact CG2-CG2 4.04Å; A73-V96 HydrophobicContact CB-CG2 4.06Å; I76-V96 HydrophobicContact CB-CG1 4.09Å; I76-V96 HydrophobicContact CB-CG2 4.23Å; I76-V96 HydrophobicContact CD1-CG2 4.2Å; I76-V96 HydrophobicContact CG2-CG1 3.79Å; I76-V96 HydrophobicContact CG2-CG2 4.23Å; A91-V96 HydrophobicContact CB-CB 4.28Å; A91-V96 PolarHBondContact O-N 3.36Å; R94-V96 VanDerWaalsContact C-N 3.31Å; R94-V96 HydrophobicContact CB-CG2 4.32Å; R94-V96 PolarHBondContact O-N 2.93Å; V96-Y114 VanDerWaalsContact O-CE1 3.32Å; V96-Y114 WeakPolarHBondContact O-CE1 3.33Å
97R98Very high98.3Very high148 Ų14842.3 Ų42.356%0.55821%0.212SC*.  trans-88.2-38-168.9-66.8-177.8-176.1-153.62.4114.2G95 Y114 H118G95-R97 PolarHBondContact O-N 3.33Å; R97-Y114 WeakPolarHBondContact CG-OH 3.3Å; R97-H118 PolarHBondContact O-N 3.3Å
98L98.6Very high98.3Very high19 Ų1943 Ų4310%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-82.3122-172-165.363.9000110.1I77 Y78 H118 L120 I200 I242I77-L98 HydrophobicContact CB-CD2 4.21Å; I77-L98 HydrophobicContact CB-CG 4.49Å; I77-L98 HydrophobicContact CD1-CD2 3.86Å; I77-L98 HydrophobicContact CD1-CG 4.02Å; I77-L98 HydrophobicContact CG1-CB 4.26Å; I77-L98 HydrophobicContact CG1-CD2 3.98Å; I77-L98 HydrophobicContact CG1-CG 3.91Å; Y78-L98 PolarHBondContact N-O 3.34Å; L98-H118 CarbonylContact C-O 2.88Å; L98-H118 WeakPolarHBondContact CA-O 3.48Å; L98-H118 HydrophobicContact CD1-CB 3.92Å; L98-L120 HydrophobicContact CD1-CD1 4.2Å; L98-L120 HydrophobicContact CD1-CD2 3.95Å; L98-L120 HydrophobicContact CD1-CG 3.77Å; L98-L120 HydrophobicContact CD2-CD1 4.2Å; L98-L120 HydrophobicContact CG-CD1 4.24Å; L98-L120 HydrophobicContact CG-CG 4.24Å; L98-I200 HydrophobicContact CD1-CD1 3.88Å; L98-I200 HydrophobicContact CD2-CD1 4.19Å; L98-I242 HydrophobicContact CD2-CD1 4.39Å
99M98.7Very high98.3Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-140.5148.6-177.8-50.4-175.6-79.100110.9Y78 V110 Y114 H118 L119 L120Y78-M99 HydrophobicContact CD1-SD 4.43Å; Y78-M99 WeakPolarHBondContact O-CA 3.48Å; M99-V110 HydrophobicContact CE-CG1 4.27Å; M99-V110 HydrophobicContact CE-CG2 4.36Å; M99-Y114 HydrophobicContact CE-CD1 3.43Å; M99-Y114 VanDerWaalsContact CE-CD1 3.43Å; M99-Y114 HydrophobicContact CE-CE1 4.02Å; M99-Y114 HydrophobicContact CE-CG 4.24Å; M99-Y114 HydrophobicContact SD-CD1 4.02Å; M99-Y114 HydrophobicContact SD-CE1 4.42Å; M99-H118 PolarHBondContact N-O 3.34Å; M99-L119 HydrophobicContact CB-CD2 4.43Å; M99-L119 HydrophobicContact CE-CD2 4.48Å; M99-L119 CarbonylContact O-C 3.54Å; M99-L119 WeakPolarHBondContact O-CA 3.33Å; M99-L120 PolarHBondContact O-N 3.17Å
100T98.7Very high98.3Very high1 Ų141 Ų411%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-90.8158.8174.758.50000112.3I77 Y78 A79 N80 K83 L120I77-T100 HydrophobicContact CD1-CG2 4.32Å; Y78-T100 PolarHBondContact O-N 2.9Å; A79-T100 VanDerWaalsContact CA-OG1 3.29Å; A79-T100 WeakPolarHBondContact CA-OG1 3.4Å; A79-T100 HydrophobicContact CB-CG2 3.86Å; A79-T100 PolarHBondContact O-OG1 3.37Å; N80-T100 VanDerWaalsContact C-OG1 3.31Å; N80-T100 PolarHBondContact N-OG1 3.01Å; K83-T100 PolarHBondContact NZ-O 2.92Å; T100-L120 CarbonylContact C-O 3.58Å; T100-L120 VanDerWaalsContact CA-O 3.27Å; T100-L120 WeakPolarHBondContact CA-O 3.36Å; T100-L120 HydrophobicContact CG2-CB 4.23Å
101F98.7Very high98.3Very high0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-152.7158.1168.378.6-72.5000109.7E106 L107 L119 L120 L121 R122 L149 V160F101-E106 HydrophobicContact CB-CB 4.02Å; F101-E106 HydrophobicContact CB-CG 3.79Å; F101-L107 HydrophobicContact CD2-CD1 4.29Å; F101-L107 HydrophobicContact CD2-CD2 3.61Å; F101-L107 HydrophobicContact CD2-CG 3.63Å; F101-L107 HydrophobicContact CE1-CD2 4.38Å; F101-L107 HydrophobicContact CE2-CD1 3.77Å; F101-L107 HydrophobicContact CE2-CD2 3.43Å; F101-L107 VanDerWaalsContact CE2-CD2 3.43Å; F101-L107 HydrophobicContact CE2-CG 3.58Å; F101-L107 HydrophobicContact CG-CD2 4.16Å; F101-L107 HydrophobicContact CZ-CD2 3.85Å; F101-L107 HydrophobicContact CZ-CG 4.45Å; F101-L119 HydrophobicContact CD1-CB 3.8Å; F101-L119 HydrophobicContact CD1-CD1 4.22Å; F101-L119 HydrophobicContact CD1-CD2 4.21Å; F101-L119 HydrophobicContact CD1-CG 4.31Å; F101-L119 HydrophobicContact CE1-CB 3.77Å; F101-L119 HydrophobicContact CE1-CD1 4.28Å; F101-L120 VanDerWaalsContact CD1-O 3.3Å; F101-L120 WeakPolarHBondContact CD1-O 3.48Å; F101-L120 PolarHBondContact N-O 2.77Å; F101-L121 HydrophobicContact CD2-CD1 4.23Å; F101-L121 HydrophobicContact CE1-CB 3.74Å; F101-L121 HydrophobicContact CE1-CD1 4.16Å; F101-L121 HydrophobicContact CE2-CD1 3.69Å; F101-L121 HydrophobicContact CZ-CB 3.85Å; F101-L121 HydrophobicContact CZ-CD1 3.66Å; F101-L121 HydrophobicContact CZ-CG 4.28Å; F101-L121 WeakPolarHBondContact O-CA 3.22Å; F101-R122 PolarHBondContact O-N 3.47Å; F101-L149 HydrophobicContact CE2-CB 4.18Å; F101-V160 HydrophobicContact CE1-CG1 4.37Å; F101-V160 HydrophobicContact CE1-CG2 4.08Å; F101-V160 HydrophobicContact CZ-CG2 4.08Å
102D98.3Very high98.3Very high17 Ų1752 Ų529%0.09126%0.259CS..  trans-144.110.5177.158.95000113.4P81 R122 F138 G139 C140 L149P81-D102 HydrophobicContact CB-CB 4.28Å; P81-D102 VanDerWaalsContact CB-CG 3.46Å; P81-D102 VanDerWaalsContact CB-OD2 3.3Å; P81-D102 WeakPolarHBondContact CB-OD2 3.46Å; D102-R122 HydrophobicContact CB-CB 4.29Å; D102-R122 WeakPolarHBondContact CB-O 3.46Å; D102-F138 WeakPolarHBondContact OD2-CA 3.16Å; D102-G139 PolarHBondContact OD2-N 3.23Å; D102-C140 WeakPolarHBondContact O-CB 3.22Å; D102-L149 WeakPolarHBondContact O-CD1 3.45Å
103N98.2Very high98.3Very high35 Ų3552.6 Ų52.619%0.18726%0.257CS..SBendtrans-152.7162.9-177.463.880000112.6Q105 E106 L107N103-Q105 PolarHBondContact OD1-N 3.39Å; N103-Q105 PolarHBondContact OD1-OE1 3.03Å; N103-E106 PolarHBondContact O-N 3.49Å; N103-E106 PolarHBondContact OD1-N 3.43Å; N103-L107 PolarHBondContact O-N 2.99Å
104E98.2Very high98.3Very high106 Ų10649.1 Ų49.150%0.49523%0.23SC..Hα-helixtrans-64.7-38.8-179.3167.5169.4-176.300112.7E106 L107 C108 L149 L152E104-E106 PolarHBondContact O-N 3.09Å; E104-L107 WeakPolarHBondContact O-CB 3.47Å; E104-L107 PolarHBondContact O-N 2.87Å; E104-L107 VanDerWaalsContact O-N 3.14Å; E104-C108 PolarHBondContact O-N 3.03Å; E104-L149 HydrophobicContact CB-CD2 4.37Å; E104-L152 HydrophobicContact CB-CD2 3.98Å; E104-L152 HydrophobicContact CG-CD2 3.6Å
105Q98Very high98.3Very high127 Ų12747 Ų4759%0.59323%0.231SC*.Hα-helixtrans-64.3-33.9-178.7-65.677.28.900111.2N103 C108 K109N103-Q105 PolarHBondContact OD1-N 3.39Å; N103-Q105 PolarHBondContact OD1-OE1 3.03Å; Q105-C108 PolarHBondContact O-N 3.25Å; Q105-K109 PolarHBondContact O-N 3.04Å
106E98.4Very high98.3Very high0 Ų049.3 Ų49.30%024%0.243CC..Hα-helixtrans-67.3-43173.8-160.173.1-17000111.7P81 K83 F101 N103 E104 C108 K109 V110P81-E106 WeakPolarHBondContact O-CG 3.17Å; K83-E106 VanDerWaalsContact CB-OE1 3.29Å; K83-E106 WeakPolarHBondContact CB-OE1 3.46Å; K83-E106 WeakPolarHBondContact CE-OE1 3.26Å; K83-E106 PolarHBondContact N-OE1 2.85Å; K83-E106 PolarHBondContact N-OE2 2.9Å; K83-E106 IonicContact NZ-OE1 3.88Å; K83-E106 PolarHBondContact NZ-OE1 3.22Å; F101-E106 HydrophobicContact CB-CB 4.02Å; F101-E106 HydrophobicContact CB-CG 3.79Å; N103-E106 PolarHBondContact O-N 3.49Å; N103-E106 PolarHBondContact OD1-N 3.43Å; E104-E106 PolarHBondContact O-N 3.09Å; E106-C108 VanDerWaalsContact C-N 3.33Å; E106-C108 PolarHBondContact O-N 2.9Å; E106-K109 PolarHBondContact O-N 3.37Å; E106-K109 IonicContact OE1-NZ 2.69Å; E106-K109 WeakPolarHBondContact OE2-CE 3.34Å; E106-K109 IonicContact OE2-NZ 3.69Å; E106-K109 PolarHBondContact OE2-NZ 3.41Å; E106-V110 WeakPolarHBondContact O-CG2 3.28Å; E106-V110 PolarHBondContact O-N 3.33Å
107L98.5Very high98.2Very high0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-57.4-45.9173.3-72.1176.6000111.4F101 N103 E104 K109 V110 K111 L119 L149 L152 A153 M156 L158F101-L107 HydrophobicContact CD2-CD1 4.29Å; F101-L107 HydrophobicContact CD2-CD2 3.61Å; F101-L107 HydrophobicContact CD2-CG 3.63Å; F101-L107 HydrophobicContact CE1-CD2 4.38Å; F101-L107 HydrophobicContact CE2-CD1 3.77Å; F101-L107 HydrophobicContact CE2-CD2 3.43Å; F101-L107 VanDerWaalsContact CE2-CD2 3.43Å; F101-L107 HydrophobicContact CE2-CG 3.58Å; F101-L107 HydrophobicContact CG-CD2 4.16Å; F101-L107 HydrophobicContact CZ-CD2 3.85Å; F101-L107 HydrophobicContact CZ-CG 4.45Å; N103-L107 PolarHBondContact O-N 2.99Å; E104-L107 WeakPolarHBondContact O-CB 3.47Å; E104-L107 PolarHBondContact O-N 2.87Å; E104-L107 VanDerWaalsContact O-N 3.14Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 2.89Å; L107-V110 PolarHBondContact O-N 3.32Å; L107-K111 WeakPolarHBondContact O-CB 3.32Å; L107-K111 PolarHBondContact O-N 3.08Å; L107-L119 HydrophobicContact CD2-CD1 3.65Å; L107-L149 HydrophobicContact CD1-CD2 4.16Å; L107-L152 HydrophobicContact CD1-CB 4.32Å; L107-L152 HydrophobicContact CD1-CD2 4.09Å; L107-L152 HydrophobicContact CD1-CG 4.14Å; L107-A153 HydrophobicContact CD1-CB 4.19Å; L107-A153 HydrophobicContact CD2-CB 4.02Å; L107-M156 HydrophobicContact CB-SD 4.01Å; L107-L158 HydrophobicContact CB-CD1 4.25Å; L107-L158 HydrophobicContact CD2-CD1 3.76Å
108C98.3Very high98.2Very high61 Ų6144.9 Ų44.941%0.41223%0.229SC..Hα-helixtrans-57.3-43.6175.1-76.60000112.6E104 Q105 E106 K112E104-C108 PolarHBondContact O-N 3.03Å; Q105-C108 PolarHBondContact O-N 3.25Å; E106-C108 VanDerWaalsContact C-N 3.33Å; E106-C108 PolarHBondContact O-N 2.9Å; C108-K112 WeakPolarHBondContact O-CB 3.31Å; C108-K112 PolarHBondContact O-N 3.11Å
109K98.2Very high98.2Very high64 Ų6444 Ų4428%0.27822%0.224SC..Hα-helixtrans-64.3-45.6175.3-74.9-176.2-61.8-176.10111.9K83 I88 Q105 E106 L107 K112 L113K83-K109 PolarHBondContact O-NZ 2.85Å; I88-K109 HydrophobicContact CD1-CB 3.86Å; Q105-K109 PolarHBondContact O-N 3.04Å; E106-K109 PolarHBondContact O-N 3.37Å; E106-K109 IonicContact OE1-NZ 2.69Å; E106-K109 WeakPolarHBondContact OE2-CE 3.34Å; E106-K109 IonicContact OE2-NZ 3.69Å; E106-K109 PolarHBondContact OE2-NZ 3.41Å; L107-K109 VanDerWaalsContact C-N 3.34Å; L107-K109 PolarHBondContact O-N 2.89Å; K109-K112 PolarHBondContact O-N 3.13Å; K109-L113 HydrophobicContact CB-CD1 4.49Å; K109-L113 VanDerWaalsContact O-CB 3.31Å; K109-L113 WeakPolarHBondContact O-CB 3.5Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.4Å; K109-L113 PolarHBondContact O-N 3.21Å
110V98.4Very high98.3Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-64.2-46.2-179.9173.80000111I88 M99 E106 L107 K112 L113 Y114 L119 L158I88-V110 HydrophobicContact CD1-CG2 4.47Å; M99-V110 HydrophobicContact CE-CG1 4.27Å; M99-V110 HydrophobicContact CE-CG2 4.36Å; E106-V110 WeakPolarHBondContact O-CG2 3.28Å; E106-V110 PolarHBondContact O-N 3.33Å; L107-V110 PolarHBondContact O-N 3.32Å; V110-K112 PolarHBondContact O-N 3.2Å; V110-L113 PolarHBondContact O-N 2.97Å; V110-Y114 WeakPolarHBondContact CG1-O 3.42Å; V110-Y114 CarbonylContact O-C 3.42Å; V110-Y114 WeakPolarHBondContact O-CA 3.47Å; V110-Y114 PolarHBondContact O-N 3.24Å; V110-L119 HydrophobicContact CG1-CD1 4.24Å; V110-L119 HydrophobicContact CG1-CD2 4.1Å; V110-L119 HydrophobicContact CG1-CG 4.46Å; V110-L119 HydrophobicContact CG2-CD2 4.1Å; V110-L158 HydrophobicContact CG1-CD2 4.1Å
111K98.4Very high98.3Very high74 Ų7443.9 Ų43.932%0.32222%0.224SC..Hα-helixtrans-55-41.2176.8-179.360.7175.1-170.50112.2L107 P115 M156 L158L107-K111 WeakPolarHBondContact O-CB 3.32Å; L107-K111 PolarHBondContact O-N 3.08Å; K111-P115 HydrophobicContact CD-CB 4.43Å; K111-M156 HydrophobicContact CB-CE 3.79Å; K111-M156 VanDerWaalsContact CD-O 3.3Å; K111-M156 WeakPolarHBondContact CD-O 3.44Å; K111-M156 WeakPolarHBondContact CE-O 3.49Å; K111-M156 HydrophobicContact CG-CE 4.11Å; K111-M156 PolarHBondContact NZ-O 3.04Å; K111-L158 HydrophobicContact CB-CD1 4.11Å; K111-L158 HydrophobicContact CB-CD2 4.36Å; K111-L158 HydrophobicContact CB-CG 4.43Å; K111-L158 HydrophobicContact CD-CD2 4.23Å; K111-L158 HydrophobicContact CD-CG 4.36Å
112K98.2Very high98.3Very high177 Ų17744.6 Ų44.677%0.7723%0.226SC*.Hα-helixtrans-73.2-40.2179.8-177.1177.6179.9177.30113.1C108 K109 V110C108-K112 WeakPolarHBondContact O-CB 3.31Å; C108-K112 PolarHBondContact O-N 3.11Å; K109-K112 PolarHBondContact O-N 3.13Å; V110-K112 PolarHBondContact O-N 3.2Å
113L98.3Very high98.2Very high41 Ų4143.8 Ų43.822%0.21522%0.222CC..Hα-helixtrans-107.1-30-163.8-59.2172.8000113.9A85 I88 Q89 K109 V110A85-L113 HydrophobicContact CB-CD1 3.59Å; I88-L113 HydrophobicContact CB-CD1 4.32Å; I88-L113 HydrophobicContact CD1-CD1 4.38Å; I88-L113 HydrophobicContact CG2-CB 3.91Å; Q89-L113 HydrophobicContact CG-CB 4.2Å; Q89-L113 HydrophobicContact CG-CD2 3.99Å; Q89-L113 HydrophobicContact CG-CG 4.46Å; K109-L113 HydrophobicContact CB-CD1 4.49Å; K109-L113 VanDerWaalsContact O-CB 3.31Å; K109-L113 WeakPolarHBondContact O-CB 3.5Å; K109-L113 VanDerWaalsContact O-CG 3.28Å; K109-L113 WeakPolarHBondContact O-CG 3.4Å; K109-L113 PolarHBondContact O-N 3.21Å; V110-L113 PolarHBondContact O-N 2.97Å
114Y98Very high98.1Very high18 Ų1843.4 Ų43.47%0.07122%0.223CC..  trans-154.163.8-177.3-167.8-167.8000112.2A92 V96 R97 M99 V110 S116 G117A92-Y114 HydrophobicContact CB-CD1 3.61Å; A92-Y114 HydrophobicContact CB-CD2 3.63Å; A92-Y114 HydrophobicContact CB-CE1 3.82Å; A92-Y114 HydrophobicContact CB-CE2 3.83Å; A92-Y114 HydrophobicContact CB-CG 3.51Å; V96-Y114 VanDerWaalsContact O-CE1 3.32Å; V96-Y114 WeakPolarHBondContact O-CE1 3.33Å; R97-Y114 WeakPolarHBondContact CG-OH 3.3Å; M99-Y114 HydrophobicContact CE-CD1 3.43Å; M99-Y114 VanDerWaalsContact CE-CD1 3.43Å; M99-Y114 HydrophobicContact CE-CE1 4.02Å; M99-Y114 HydrophobicContact CE-CG 4.24Å; M99-Y114 HydrophobicContact SD-CD1 4.02Å; M99-Y114 HydrophobicContact SD-CE1 4.42Å; V110-Y114 WeakPolarHBondContact CG1-O 3.42Å; V110-Y114 CarbonylContact O-C 3.42Å; V110-Y114 WeakPolarHBondContact O-CA 3.47Å; V110-Y114 PolarHBondContact O-N 3.24Å; Y114-S116 WeakPolarHBondContact CD2-OG 3.33Å; Y114-S116 VanDerWaalsContact CE2-OG 3.31Å; Y114-S116 WeakPolarHBondContact CE2-OG 3.42Å; Y114-S116 PolarHBondContact O-N 3.34Å; Y114-S116 VanDerWaalsContact O-N 3.12Å; Y114-G117 PolarHBondContact O-N 3.23Å
115P97.8Very high97.6Very high67 Ų6738.4 Ų38.444%0.43520%0.2SC..THydrogen-bonded Turntrans-64.5-18.2-173.825.7-35.5000114.4K111 G117K111-P115 HydrophobicContact CD-CB 4.43Å; P115-G117 VanDerWaalsContact C-N 3.35Å
116S97.5Very high96.4Very high81 Ų8134.8 Ų34.857%0.56619%0.189SC*.THydrogen-bonded Turntrans-87.90.8175.354.40000114.1Y114Y114-S116 WeakPolarHBondContact CD2-OG 3.33Å; Y114-S116 VanDerWaalsContact CE2-OG 3.31Å; Y114-S116 WeakPolarHBondContact CE2-OG 3.42Å; Y114-S116 PolarHBondContact O-N 3.34Å; Y114-S116 VanDerWaalsContact O-N 3.12Å
117G97.3Very high95.3Very high2 Ų234.9 Ų34.92%0.02119%0.189CC..PPolyproline II helixtrans-62.5151.8174.200000112.5Y114 P115Y114-G117 PolarHBondContact O-N 3.23Å; P115-G117 VanDerWaalsContact C-N 3.35Å
118H98.4Very high94.1Very high52 Ų5240.1 Ų40.124%0.24122%0.224CC..EExtended strand (participates in β ladder)trans-98.2119.9176-65.3-172.5000108.5R97 L98 M99 F161R97-H118 PolarHBondContact O-N 3.3Å; L98-H118 CarbonylContact C-O 2.88Å; L98-H118 WeakPolarHBondContact CA-O 3.48Å; L98-H118 HydrophobicContact CD1-CB 3.92Å; M99-H118 PolarHBondContact N-O 3.34Å; H118-F161 HydrophobicContact CB-CD2 3.51Å; H118-F161 HydrophobicContact CB-CE2 3.71Å; H118-F161 HydrophobicContact CB-CG 4Å; H118-F161 HydrophobicContact CB-CZ 4.37Å; H118-F161 AromaticContact CD2-CE2 3.39Å; H118-F161 WeakPolarHBondContact CD2-CE2 3.42Å; H118-F161 AromaticContact CD2-CZ 3.59Å; H118-F161 AromaticContact CE1-CE1 3.75Å; H118-F161 AromaticContact CE1-CZ 3.43Å; H118-F161 VanDerWaalsContact CE1-CZ 3.43Å; H118-F161 WeakPolarHBondContact CE1-CZ 3.12Å; H118-F161 AromaticContact CG-CD2 3.66Å; H118-F161 AromaticContact CG-CE2 3.33Å; H118-F161 AromaticContact CG-CZ 3.58Å; H118-F161 AromaticContact ND1-CD1 4Å; H118-F161 AromaticContact ND1-CE1 3.63Å; H118-F161 AromaticContact ND1-CE2 3.73Å; H118-F161 AromaticContact ND1-CZ 3.48Å; H118-F161 WeakPolarHBondContact ND1-CZ 3.43Å; H118-F161 AromaticContact NE2-CE2 3.86Å; H118-F161 AromaticContact NE2-CZ 3.53Å
119L98.8Very high93.1Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-99.9137.7-173.4-66.7177.3000112.5M99 F101 L107 V110 L158 R159 V160 F161M99-L119 HydrophobicContact CB-CD2 4.43Å; M99-L119 HydrophobicContact CE-CD2 4.48Å; M99-L119 CarbonylContact O-C 3.54Å; M99-L119 WeakPolarHBondContact O-CA 3.33Å; F101-L119 HydrophobicContact CD1-CB 3.8Å; F101-L119 HydrophobicContact CD1-CD1 4.22Å; F101-L119 HydrophobicContact CD1-CD2 4.21Å; F101-L119 HydrophobicContact CD1-CG 4.31Å; F101-L119 HydrophobicContact CE1-CB 3.77Å; F101-L119 HydrophobicContact CE1-CD1 4.28Å; L107-L119 HydrophobicContact CD2-CD1 3.65Å; V110-L119 HydrophobicContact CG1-CD1 4.24Å; V110-L119 HydrophobicContact CG1-CD2 4.1Å; V110-L119 HydrophobicContact CG1-CG 4.46Å; V110-L119 HydrophobicContact CG2-CD2 4.1Å; L119-L158 HydrophobicContact CD1-CB 4.2Å; L119-L158 HydrophobicContact CD1-CD1 4.14Å; L119-R159 PolarHBondContact N-O 2.86Å; L119-R159 VanDerWaalsContact N-O 3.15Å; L119-V160 HydrophobicContact CB-CG2 4.39Å; L119-V160 CarbonylContact O-C 3.5Å; L119-V160 WeakPolarHBondContact O-CA 3.27Å; L119-F161 PolarHBondContact O-N 3.24Å
120L98.8Very high91.9Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-109.3126.2162.6-59.6-172.4000109.1I77 L98 M99 T100 F101 R122 F161 G162 I200 D202 I242I77-L120 HydrophobicContact CD1-CD1 3.7Å; L98-L120 HydrophobicContact CD1-CD1 4.2Å; L98-L120 HydrophobicContact CD1-CD2 3.95Å; L98-L120 HydrophobicContact CD1-CG 3.77Å; L98-L120 HydrophobicContact CD2-CD1 4.2Å; L98-L120 HydrophobicContact CG-CD1 4.24Å; L98-L120 HydrophobicContact CG-CG 4.24Å; M99-L120 PolarHBondContact O-N 3.17Å; T100-L120 CarbonylContact C-O 3.58Å; T100-L120 VanDerWaalsContact CA-O 3.27Å; T100-L120 WeakPolarHBondContact CA-O 3.36Å; T100-L120 HydrophobicContact CG2-CB 4.23Å; F101-L120 VanDerWaalsContact CD1-O 3.3Å; F101-L120 WeakPolarHBondContact CD1-O 3.48Å; F101-L120 PolarHBondContact N-O 2.77Å; L120-R122 PolarHBondContact O-N 2.87Å; L120-F161 HydrophobicContact CD2-CB 4.17Å; L120-G162 WeakPolarHBondContact CA-O 3.38Å; L120-I200 HydrophobicContact CD1-CG2 4.05Å; L120-I200 HydrophobicContact CD2-CB 3.88Å; L120-I200 HydrophobicContact CD2-CD1 4.37Å; L120-I200 HydrophobicContact CD2-CG2 3.93Å; L120-D202 HydrophobicContact CD1-CB 4.02Å; L120-I242 HydrophobicContact CD1-CD1 4.49Å
121L98.8Very high90.7Very high0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-79.5119174.9174.663.3000109.2F101 I123 A146 L149 L150 V160 G162 I163 S164F101-L121 HydrophobicContact CD2-CD1 4.23Å; F101-L121 HydrophobicContact CE1-CB 3.74Å; F101-L121 HydrophobicContact CE1-CD1 4.16Å; F101-L121 HydrophobicContact CE2-CD1 3.69Å; F101-L121 HydrophobicContact CZ-CB 3.85Å; F101-L121 HydrophobicContact CZ-CD1 3.66Å; F101-L121 HydrophobicContact CZ-CG 4.28Å; F101-L121 WeakPolarHBondContact O-CA 3.22Å; L121-I123 HydrophobicContact CG-CG2 4.44Å; L121-A146 HydrophobicContact CD2-CB 3.77Å; L121-L149 HydrophobicContact CD1-CB 4.18Å; L121-L149 HydrophobicContact CD1-CD1 3.75Å; L121-L150 HydrophobicContact CD2-CD1 4.43Å; L121-L150 HydrophobicContact CD2-CD2 3.98Å; L121-L150 HydrophobicContact CD2-CG 3.83Å; L121-V160 HydrophobicContact CB-CG1 4.36Å; L121-G162 PolarHBondContact N-O 2.79Å; L121-I163 HydrophobicContact CB-CD1 3.96Å; L121-I163 HydrophobicContact CD2-CD1 4.16Å; L121-I163 HydrophobicContact CG-CD1 4.41Å; L121-I163 CarbonylContact O-C 3.6Å; L121-I163 WeakPolarHBondContact O-CA 3.27Å; L121-S164 PolarHBondContact O-N 3.32Å
122R98.6Very high89.7Confident15 Ų1540.2 Ų40.26%0.05723%0.234CC..EExtended strand (participates in β ladder)trans-87122.5175.9-177.3-177.8174.2158-2.4110.3P81 F101 D102 L120 F138 G139 C140 S164P81-R122 VanDerWaalsContact CG-CD 3.49Å; F101-R122 PolarHBondContact O-N 3.47Å; D102-R122 HydrophobicContact CB-CB 4.29Å; D102-R122 WeakPolarHBondContact CB-O 3.46Å; L120-R122 PolarHBondContact O-N 2.87Å; R122-F138 VanDerWaalsContact CZ-CB 3.49Å; R122-G139 WeakPolarHBondContact O-CA 3.27Å; R122-C140 PolarHBondContact O-N 3.12Å; R122-C140 VanDerWaalsContact O-N 3.14Å; R122-S164 CarbonylContact C-O 3.59Å; R122-S164 VanDerWaalsContact CA-O 3.25Å; R122-S164 WeakPolarHBondContact CA-O 3.19Å; R122-S164 WeakPolarHBondContact CA-OG 3.41Å; R122-S164 WeakPolarHBondContact CB-OG 3.18Å
123I98.1Very high88.7Confident0 Ų035.3 Ų35.30%022%0.221CC..EExtended strand (participates in β ladder)trans-102.7154175.261.4170.4000112L121 V125 C140 P142 A146 I163 S164 F165 H183 L187L121-I123 HydrophobicContact CG-CG2 4.44Å; I123-V125 HydrophobicContact CD1-CG2 4.02Å; I123-V125 HydrophobicContact CG1-CG2 4.07Å; I123-C140 WeakPolarHBondContact CA-O 3.25Å; I123-P142 HydrophobicContact CB-CB 4.06Å; I123-P142 HydrophobicContact CD1-CB 4Å; I123-P142 HydrophobicContact CG2-CB 4.22Å; I123-A146 HydrophobicContact CG2-CB 3.99Å; I123-I163 HydrophobicContact CD1-CG2 3.89Å; I123-I163 HydrophobicContact CG1-CG2 3.91Å; I123-I163 HydrophobicContact CG2-CG2 4.15Å; I123-S164 WeakPolarHBondContact CG1-O 3.29Å; I123-S164 PolarHBondContact N-O 2.92Å; I123-F165 HydrophobicContact CD1-CB 4.44Å; I123-F165 HydrophobicContact CG1-CB 3.78Å; I123-H183 HydrophobicContact CD1-CB 3.66Å; I123-L187 HydrophobicContact CD1-CD1 4.31Å; I123-L187 HydrophobicContact CG2-CD1 3.62Å
124A94.6Very high87.8Confident26 Ų2635.7 Ų35.722%0.21522%0.223CC..PPolyproline II helixtrans-75.4126.9171.100000110.1N135 C140A124-N135 HydrophobicContact CB-CB 4.24Å; A124-C140 PolarHBondContact N-O 3.33Å
125V88.2Confident86.7Confident1 Ų136.2 Ų36.21%0.00623%0.226CC..  trans-142.5113.6173.2177.90000106.2I123 N135 F165 V167 A176I123-V125 HydrophobicContact CD1-CG2 4.02Å; I123-V125 HydrophobicContact CG1-CG2 4.07Å; V125-N135 PolarHBondContact N-OD1 2.96Å; V125-N135 PolarHBondContact O-ND2 3.44Å; V125-F165 HydrophobicContact CB-CB 4.19Å; V125-F165 HydrophobicContact CB-CD2 4.24Å; V125-F165 HydrophobicContact CB-CG 4.46Å; V125-F165 HydrophobicContact CG1-CD2 4.44Å; V125-F165 HydrophobicContact CG2-CB 3.61Å; V125-F165 HydrophobicContact CG2-CD2 4.15Å; V125-F165 HydrophobicContact CG2-CG 3.93Å; V125-V167 HydrophobicContact CG1-CG1 4.19Å; V125-A176 WeakPolarHBondContact CG1-O 3.42Å
126S73.5Confident85.8Confident51 Ų5141.6 Ų41.636%0.35725%0.251SS..  trans-113122.5-169.4-152.40000112.5P128 N135S126-P128 WeakPolarHBondContact O-CD 3.49Å; S126-N135 WeakPolarHBondContact CA-ND2 3.23Å; S126-N135 WeakPolarHBondContact CB-ND2 3.45Å; S126-N135 PolarHBondContact N-ND2 2.94Å; S126-N135 PolarHBondContact OG-ND2 2.81Å
127D74.2Confident85.4Confident2 Ų245.4 Ų45.41%0.01126%0.257CS..  trans-85102.7149.8178.23.5000107.6T129 A130 V167 C171 R172 N173 A176D127-T129 PolarHBondContact O-N 3.13Å; D127-T129 WeakPolarHBondContact OD1-CA 3.44Å; D127-T129 WeakPolarHBondContact OD1-CB 3.32Å; D127-T129 PolarHBondContact OD1-N 3.19Å; D127-T129 PolarHBondContact OD1-OG1 3.47Å; D127-A130 HydrophobicContact CB-CB 4.13Å; D127-A130 WeakPolarHBondContact O-CB 3.13Å; D127-A130 PolarHBondContact O-N 3.31Å; D127-A130 VanDerWaalsContact O-N 3.1Å; D127-V167 PolarHBondContact N-O 3.38Å; D127-C171 WeakPolarHBondContact OD2-CA 3.07Å; D127-C171 PolarHBondContact OD2-SG 2.7Å; D127-R172 PolarHBondContact OD2-N 3.48Å; D127-N173 PolarHBondContact OD2-N 2.82Å; D127-A176 HydrophobicContact CB-CB 3.98Å
128P73.7Confident85.1Confident111 Ų11147 Ų4772%0.72126%0.263SS*.THydrogen-bonded Turntrans-62.8-11.8178.327.6-35000112.9S126S126-P128 WeakPolarHBondContact O-CD 3.49Å
129T76.2Confident84.9Confident70 Ų7045.2 Ų45.243%0.42926%0.26SS..THydrogen-bonded Turntrans-1002178.969.20000113.7D127 R172D127-T129 PolarHBondContact O-N 3.13Å; D127-T129 WeakPolarHBondContact OD1-CA 3.44Å; D127-T129 WeakPolarHBondContact OD1-CB 3.32Å; D127-T129 PolarHBondContact OD1-N 3.19Å; D127-T129 PolarHBondContact OD1-OG1 3.47Å; T129-R172 VanDerWaalsContact O-CD 3.31Å; T129-R172 WeakPolarHBondContact O-CD 3.27Å; T129-R172 WeakPolarHBondContact OG1-CB 3.29Å
130A74.3Confident84.8Confident10 Ų1045.3 Ų45.38%0.08326%0.26CS..SBendtrans-64.2147.7175.900000112D127 C132 G170D127-A130 HydrophobicContact CB-CB 4.13Å; D127-A130 WeakPolarHBondContact O-CB 3.13Å; D127-A130 PolarHBondContact O-N 3.31Å; D127-A130 VanDerWaalsContact O-N 3.1Å; A130-C132 VanDerWaalsContact C-N 3.27Å; A130-C132 PolarHBondContact O-N 2.84Å; A130-G170 WeakPolarHBondContact CA-O 3.32Å
131L73.9Confident84.7Confident59 Ų5948.4 Ų48.431%0.30928%0.277SS..SBendtrans-58.7-38.9176.8-69.8176.2000112.8S169 G170 Y215L131-S169 WeakPolarHBondContact CB-O 3.33Å; L131-S169 PolarHBondContact N-O 2.84Å; L131-S169 VanDerWaalsContact N-O 3.09Å; L131-G170 PolarHBondContact N-O 3.23Å; L131-Y215 HydrophobicContact CD1-CE1 3.79Å; L131-Y215 HydrophobicContact CD2-CE1 3.92Å; L131-Y215 WeakPolarHBondContact CD2-OH 3.47Å; L131-Y215 HydrophobicContact CG-CE1 3.78Å
132C76Confident84.6Confident61 Ų6149.1 Ų49.141%0.41228%0.281SS..BIsolated β-bridgetrans-130.994.7177.1-170.10000109.7A130 L134 G168 S169A130-C132 VanDerWaalsContact C-N 3.27Å; A130-C132 PolarHBondContact O-N 2.84Å; C132-L134 PolarHBondContact O-N 3.4Å; C132-G168 WeakPolarHBondContact O-CA 3.38Å; C132-S169 PolarHBondContact N-O 3.36Å; C132-S169 PolarHBondContact O-N 2.88Å
133P77.8Confident84.5Confident75 Ų7551.9 Ų51.949%0.48730%0.3SS..  trans-70.4127.5173.528.1-32.5000109.8
134L78.3Confident84.5Confident49 Ų4958.4 Ų58.426%0.25733%0.33SS..  trans-101.7-15.8-177.1-61.4-177.4000113.6C132 L136 K137 F138 H166C132-L134 PolarHBondContact O-N 3.4Å; L134-L136 PolarHBondContact O-N 2.92Å; L134-K137 PolarHBondContact O-N 3.32Å; L134-F138 PolarHBondContact O-N 3.45Å; L134-F138 VanDerWaalsContact O-N 3.13Å; L134-H166 WeakPolarHBondContact CD1-ND1 3.48Å
135N75.5Confident84.6Confident28 Ų2862 Ų6215%0.1534%0.343CS..THydrogen-bonded Turntrans-72.2-16.2-169.1-57.8-51.4000114.2A124 V125 S126 K137 F138A124-N135 HydrophobicContact CB-CB 4.24Å; V125-N135 PolarHBondContact N-OD1 2.96Å; V125-N135 PolarHBondContact O-ND2 3.44Å; S126-N135 WeakPolarHBondContact CA-ND2 3.23Å; S126-N135 WeakPolarHBondContact CB-ND2 3.45Å; S126-N135 PolarHBondContact N-ND2 2.94Å; S126-N135 PolarHBondContact OG-ND2 2.81Å; N135-K137 PolarHBondContact O-N 2.94Å; N135-F138 WeakPolarHBondContact CA-O 3.44Å
136L79.9Confident85.1Confident180 Ų18062 Ų6294%0.94234%0.343SS*.THydrogen-bonded Turntrans-62-29.4169.8-175.865.6000111.6L134L134-L136 PolarHBondContact O-N 2.92Å
137K87.4Confident86.3Confident161 Ų16161.1 Ų61.170%0.734%0.335SS*.THydrogen-bonded Turntrans-105.2-32.1-174.6-172.4177.2179.1-1780113.6L134 N135L134-K137 PolarHBondContact O-N 3.32Å; N135-K137 PolarHBondContact O-N 2.94Å
138F92.1Very high87.5Confident35 Ų3566.7 Ų66.715%0.15437%0.365CS..SBendtrans-141.7151.3-169.3-64.1-61000112.5P81 C82 D102 R122 L134 N135P81-F138 HydrophobicContact CB-CD1 3.96Å; P81-F138 HydrophobicContact CB-CE1 4.37Å; P81-F138 HydrophobicContact CG-CB 4.36Å; P81-F138 HydrophobicContact CG-CD1 3.72Å; P81-F138 HydrophobicContact CG-CE1 4.21Å; P81-F138 HydrophobicContact CG-CG 4.17Å; C82-F138 HydrophobicContact CB-CE1 4.3Å; D102-F138 WeakPolarHBondContact OD2-CA 3.16Å; R122-F138 VanDerWaalsContact CZ-CB 3.49Å; L134-F138 PolarHBondContact O-N 3.45Å; L134-F138 VanDerWaalsContact O-N 3.13Å; N135-F138 WeakPolarHBondContact CA-O 3.44Å
139G95.1Very high88.7Confident16 Ų1662.1 Ų62.117%0.16533%0.334CS..  trans95.2126-178.700000111.2D102 R122D102-G139 PolarHBondContact OD2-N 3.23Å; R122-G139 WeakPolarHBondContact O-CA 3.27Å
140C96.7Very high89.8Confident2 Ų258.8 Ų58.81%0.01431%0.314CS..BIsolated β-bridgetrans-80.8158.5173.567.10000110.8D102 R122 I123 A124 E145 L149D102-C140 WeakPolarHBondContact O-CB 3.22Å; R122-C140 PolarHBondContact O-N 3.12Å; R122-C140 VanDerWaalsContact O-N 3.14Å; I123-C140 WeakPolarHBondContact CA-O 3.25Å; A124-C140 PolarHBondContact N-O 3.33Å; C140-E145 VanDerWaalsContact CA-OE2 3.26Å; C140-E145 WeakPolarHBondContact CA-OE2 3.46Å; C140-E145 HydrophobicContact CB-CB 3.86Å; C140-E145 VanDerWaalsContact CB-OE2 3.31Å; C140-E145 WeakPolarHBondContact CB-OE2 3.42Å; C140-L149 HydrophobicContact CB-CD1 3.81Å
141D96.4Very high90.9Very high65 Ų6563.6 Ų63.635%0.34833%0.333SS..  trans-57.7127.6172.4-178.1-86.3000110.4V143 E144 E145 A146D141-V143 VanDerWaalsContact C-N 3.26Å; D141-V143 PolarHBondContact O-N 3.34Å; D141-V143 WeakPolarHBondContact OD1-CA 3.49Å; D141-V143 WeakPolarHBondContact OD1-CB 3.47Å; D141-V143 PolarHBondContact OD1-N 3.35Å; D141-E144 PolarHBondContact OD1-N 3.1Å; D141-E145 HydrophobicContact CB-CB 4.17Å; D141-E145 HydrophobicContact CB-CG 4Å; D141-E145 PolarHBondContact N-OE2 2.94Å; D141-E145 PolarHBondContact O-N 3.28Å; D141-A146 WeakPolarHBondContact O-CB 3.19Å; D141-A146 PolarHBondContact O-N 3.46Å
142P96.7Very high92.1Very high14 Ų1462.8 Ų62.89%0.09133%0.328CS..THydrogen-bonded Turntrans-76-8.8-173.230.6-36.8000114.5I123 H183 L187I123-P142 HydrophobicContact CB-CB 4.06Å; I123-P142 HydrophobicContact CD1-CB 4Å; I123-P142 HydrophobicContact CG2-CB 4.22Å; P142-H183 HydrophobicContact CB-CB 4.01Å; P142-H183 WeakPolarHBondContact CB-ND1 3.48Å; P142-H183 WeakPolarHBondContact CG-ND1 3.34Å; P142-L187 HydrophobicContact CB-CD1 4.45Å
143V96.7Very high93.2Very high74 Ų7459.9 Ų59.945%0.44831%0.309SS..THydrogen-bonded Turntrans-107-47.1-177.1-1780000111.4D141 P147D141-V143 VanDerWaalsContact C-N 3.26Å; D141-V143 PolarHBondContact O-N 3.34Å; D141-V143 WeakPolarHBondContact OD1-CA 3.49Å; D141-V143 WeakPolarHBondContact OD1-CB 3.47Å; D141-V143 PolarHBondContact OD1-N 3.35Å; V143-P147 WeakPolarHBondContact O-CD 3.49Å; V143-P147 VanDerWaalsContact O-CG 3.3Å; V143-P147 WeakPolarHBondContact O-CG 3.27Å
144E96.7Very high94.2Very high137 Ų13757.9 Ų57.964%0.6430%0.299SS*.THydrogen-bonded Turntrans-95.7-49.2-173.4-61.2-60.1141.900111.9D141 L148D141-E144 PolarHBondContact OD1-N 3.1Å; E144-L148 WeakPolarHBondContact O-CD1 3.3Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å
145E97.9Very high95.1Very high102 Ų10261.7 Ų61.748%0.47732%0.318SS..Hα-helixtrans-87-42.7-171.7-65.7178.6163.700112.7C140 D141 L148 L149C140-E145 VanDerWaalsContact CA-OE2 3.26Å; C140-E145 WeakPolarHBondContact CA-OE2 3.46Å; C140-E145 HydrophobicContact CB-CB 3.86Å; C140-E145 VanDerWaalsContact CB-OE2 3.31Å; C140-E145 WeakPolarHBondContact CB-OE2 3.42Å; D141-E145 HydrophobicContact CB-CB 4.17Å; D141-E145 HydrophobicContact CB-CG 4Å; D141-E145 PolarHBondContact N-OE2 2.94Å; D141-E145 PolarHBondContact O-N 3.28Å; E145-L148 WeakPolarHBondContact O-CB 3.25Å; E145-L148 PolarHBondContact O-N 2.98Å; E145-L149 PolarHBondContact O-N 3.46Å
146A98.6Very high96.2Very high0 Ų062 Ų620%032%0.32CS..Hα-helixtrans-57.2-45.1-176.200000113.2L121 I123 D141 L148 L149 L150 L187L121-A146 HydrophobicContact CD2-CB 3.77Å; I123-A146 HydrophobicContact CG2-CB 3.99Å; D141-A146 WeakPolarHBondContact O-CB 3.19Å; D141-A146 PolarHBondContact O-N 3.46Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 3.38Å; A146-L149 PolarHBondContact O-N 3.45Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 2.96Å; A146-L187 HydrophobicContact CB-CD1 3.73Å; A146-L187 HydrophobicContact CB-CD2 3.6Å; A146-L187 HydrophobicContact CB-CG 4.33Å
147P98.6Very high97.1Very high32 Ų3261 Ų6121%0.20831%0.31CS..Hα-helixtrans-62.2-35.8174.8-25.337.5000113.6V143 K151 L187 Y190V143-P147 WeakPolarHBondContact O-CD 3.49Å; V143-P147 VanDerWaalsContact O-CG 3.3Å; V143-P147 WeakPolarHBondContact O-CG 3.27Å; P147-K151 WeakPolarHBondContact O-CB 2.88Å; P147-K151 PolarHBondContact O-N 3.49Å; P147-L187 HydrophobicContact CG-CD2 4.02Å; P147-Y190 HydrophobicContact CB-CD1 4.02Å; P147-Y190 HydrophobicContact CB-CE1 3.68Å; P147-Y190 WeakPolarHBondContact O-CE1 3.29Å
148L98.6Very high97.6Very high119 Ų11953.5 Ų53.562%0.62328%0.278SS*.Hα-helixtrans-66.8-43.3177.8-62.8175.2000111E144 E145 A146 K151 L152E144-L148 WeakPolarHBondContact O-CD1 3.3Å; E144-L148 WeakPolarHBondContact O-CG 3.38Å; E145-L148 WeakPolarHBondContact O-CB 3.25Å; E145-L148 PolarHBondContact O-N 2.98Å; A146-L148 VanDerWaalsContact C-N 3.32Å; A146-L148 PolarHBondContact O-N 3.38Å; L148-K151 PolarHBondContact O-N 2.9Å; L148-L152 WeakPolarHBondContact O-CB 3.37Å; L148-L152 PolarHBondContact O-N 3.29Å
149L98.8Very high97.9Very high15 Ų1558.8 Ų58.88%0.07930%0.297CS..Hα-helixtrans-64.2-41.3176.6-72173.6000112.4F101 D102 E104 L107 L121 C140 E145 A146 K151 L152 A153F101-L149 HydrophobicContact CE2-CB 4.18Å; D102-L149 WeakPolarHBondContact O-CD1 3.45Å; E104-L149 HydrophobicContact CB-CD2 4.37Å; L107-L149 HydrophobicContact CD1-CD2 4.16Å; L121-L149 HydrophobicContact CD1-CB 4.18Å; L121-L149 HydrophobicContact CD1-CD1 3.75Å; C140-L149 HydrophobicContact CB-CD1 3.81Å; E145-L149 PolarHBondContact O-N 3.46Å; A146-L149 PolarHBondContact O-N 3.45Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-A153 WeakPolarHBondContact O-CB 3.38Å; L149-A153 PolarHBondContact O-N 2.91Å
150L98.9Very high98.1Very high0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-61.1-44.1174.3-71.3174.4000111.6L121 A146 A153 A154 V160 L187 Y190 L194 H196 M198L121-L150 HydrophobicContact CD2-CD1 4.43Å; L121-L150 HydrophobicContact CD2-CD2 3.98Å; L121-L150 HydrophobicContact CD2-CG 3.83Å; A146-L150 WeakPolarHBondContact O-CG 3.5Å; A146-L150 PolarHBondContact O-N 2.96Å; L150-A153 PolarHBondContact O-N 2.92Å; L150-A154 PolarHBondContact O-N 3.44Å; L150-A154 VanDerWaalsContact O-N 3.15Å; L150-V160 HydrophobicContact CD2-CB 4.11Å; L150-V160 HydrophobicContact CD2-CG1 3.79Å; L150-V160 HydrophobicContact CD2-CG2 4.17Å; L150-L187 HydrophobicContact CD1-CB 4.3Å; L150-L187 HydrophobicContact CD1-CD2 4Å; L150-Y190 HydrophobicContact CB-CE1 4.47Å; L150-Y190 HydrophobicContact CD1-CD1 4.06Å; L150-L194 HydrophobicContact CB-CD1 3.91Å; L150-H196 PolarHBondContact O-NE2 3.17Å; L150-M198 HydrophobicContact CD2-CE 4.49Å; L150-M198 HydrophobicContact CD2-SD 4.46Å
151K98.7Very high98.2Very high111 Ų11159.1 Ų59.148%0.48329%0.293SS..Hα-helixtrans-63.6-44.7177-173.7178.9-179.6179.40111.5P147 L148 L149 A154 L155 L194P147-K151 WeakPolarHBondContact O-CB 2.88Å; P147-K151 PolarHBondContact O-N 3.49Å; L148-K151 PolarHBondContact O-N 2.9Å; L149-K151 VanDerWaalsContact C-N 3.35Å; K151-A154 PolarHBondContact O-N 3.02Å; K151-L155 WeakPolarHBondContact O-CG 3.4Å; K151-L155 PolarHBondContact O-N 2.95Å; K151-L194 HydrophobicContact CB-CD1 4.23Å
152L98.7Very high98.3Very high42 Ų4256.1 Ų56.122%0.2228%0.277CS..Hα-helixtrans-62.9-44.6177.8-179.259.2000111.7E104 L107 L148 L149 A154 L155 M156E104-L152 HydrophobicContact CB-CD2 3.98Å; E104-L152 HydrophobicContact CG-CD2 3.6Å; L107-L152 HydrophobicContact CD1-CB 4.32Å; L107-L152 HydrophobicContact CD1-CD2 4.09Å; L107-L152 HydrophobicContact CD1-CG 4.14Å; L148-L152 WeakPolarHBondContact O-CB 3.37Å; L148-L152 PolarHBondContact O-N 3.29Å; L149-L152 PolarHBondContact O-N 3.23Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.19Å; L152-L155 PolarHBondContact O-N 3.23Å; L152-L155 VanDerWaalsContact O-N 3.15Å; L152-M156 HydrophobicContact CD1-CG 4.12Å; L152-M156 HydrophobicContact CD1-SD 4.02Å; L152-M156 HydrophobicContact CD2-SD 4.43Å; L152-M156 HydrophobicContact CG-CG 4.39Å; L152-M156 HydrophobicContact CG-SD 3.86Å; L152-M156 VanDerWaalsContact O-CG 3.29Å; L152-M156 WeakPolarHBondContact O-CG 3.35Å; L152-M156 PolarHBondContact O-N 3.41Å
153A98.8Very high98.4Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-57.6-41176.200000112L107 L149 L150 M156 E157 L158 V160L107-A153 HydrophobicContact CD1-CB 4.19Å; L107-A153 HydrophobicContact CD2-CB 4.02Å; L149-A153 WeakPolarHBondContact O-CB 3.38Å; L149-A153 PolarHBondContact O-N 2.91Å; L150-A153 PolarHBondContact O-N 2.92Å; A153-M156 CarbonylContact O-C 3.27Å; A153-M156 PolarHBondContact O-N 3.45Å; A153-E157 PolarHBondContact O-N 3.24Å; A153-L158 HydrophobicContact CB-CB 4.35Å; A153-L158 PolarHBondContact O-N 3.21Å; A153-V160 HydrophobicContact CB-CG2 3.72Å
154A98.5Very high98.5Very high33 Ų3352.2 Ų52.227%0.27325%0.254SS..Hα-helixtrans-63.4-45.9175.200000112L150 K151 L152 M156 E157 L194L150-A154 PolarHBondContact O-N 3.44Å; L150-A154 VanDerWaalsContact O-N 3.15Å; K151-A154 PolarHBondContact O-N 3.02Å; L152-A154 VanDerWaalsContact C-N 3.27Å; L152-A154 PolarHBondContact O-N 3.19Å; A154-M156 PolarHBondContact O-N 3.25Å; A154-E157 PolarHBondContact O-N 3.19Å; A154-L194 HydrophobicContact CB-CB 4.39Å
155L98.3Very high98.5Very high129 Ų12945.8 Ų45.868%0.67522%0.224SC*.Hα-helixtrans-61.5-31.1176.1-69.9172.5000112.8K151 L152 E157K151-L155 WeakPolarHBondContact O-CG 3.4Å; K151-L155 PolarHBondContact O-N 2.95Å; L152-L155 PolarHBondContact O-N 3.23Å; L152-L155 VanDerWaalsContact O-N 3.15Å; L155-E157 VanDerWaalsContact C-N 3.27Å
156M98.2Very high98.4Very high35 Ų3541.6 Ų41.617%0.17220%0.204CC..THydrogen-bonded Turntrans-84.43.3176-64.1177.385.500113.1L107 K111 L152 A153 A154 L158L107-M156 HydrophobicContact CB-SD 4.01Å; K111-M156 HydrophobicContact CB-CE 3.79Å; K111-M156 VanDerWaalsContact CD-O 3.3Å; K111-M156 WeakPolarHBondContact CD-O 3.44Å; K111-M156 WeakPolarHBondContact CE-O 3.49Å; K111-M156 HydrophobicContact CG-CE 4.11Å; K111-M156 PolarHBondContact NZ-O 3.04Å; L152-M156 HydrophobicContact CD1-CG 4.12Å; L152-M156 HydrophobicContact CD1-SD 4.02Å; L152-M156 HydrophobicContact CD2-SD 4.43Å; L152-M156 HydrophobicContact CG-CG 4.39Å; L152-M156 HydrophobicContact CG-SD 3.86Å; L152-M156 VanDerWaalsContact O-CG 3.29Å; L152-M156 WeakPolarHBondContact O-CG 3.35Å; L152-M156 PolarHBondContact O-N 3.41Å; A153-M156 CarbonylContact O-C 3.27Å; A153-M156 PolarHBondContact O-N 3.45Å; A154-M156 PolarHBondContact O-N 3.25Å; M156-L158 HydrophobicContact CB-CD1 4.26Å; M156-L158 HydrophobicContact CB-CG 4.22Å; M156-L158 PolarHBondContact O-N 2.96Å
157E97.9Very high98Very high159 Ų15941.6 Ų41.674%0.74320%0.204SC*.THydrogen-bonded Turntrans55.432.3-174.7-55.5167-137.900113A153 A154 L155A153-E157 PolarHBondContact O-N 3.24Å; A154-E157 PolarHBondContact O-N 3.19Å; L155-E157 VanDerWaalsContact C-N 3.27Å
158L98.5Very high97.2Very high4 Ų440.1 Ų40.12%0.02119%0.194CC..  trans-92.5149.8169.5-68.7174.2000109.4L107 V110 K111 L119 A153 M156 H196L107-L158 HydrophobicContact CB-CD1 4.25Å; L107-L158 HydrophobicContact CD2-CD1 3.76Å; V110-L158 HydrophobicContact CG1-CD2 4.1Å; K111-L158 HydrophobicContact CB-CD1 4.11Å; K111-L158 HydrophobicContact CB-CD2 4.36Å; K111-L158 HydrophobicContact CB-CG 4.43Å; K111-L158 HydrophobicContact CD-CD2 4.23Å; K111-L158 HydrophobicContact CD-CG 4.36Å; L119-L158 HydrophobicContact CD1-CB 4.2Å; L119-L158 HydrophobicContact CD1-CD1 4.14Å; A153-L158 HydrophobicContact CB-CB 4.35Å; A153-L158 PolarHBondContact O-N 3.21Å; M156-L158 HydrophobicContact CB-CD1 4.26Å; M156-L158 HydrophobicContact CB-CG 4.22Å; M156-L158 PolarHBondContact O-N 2.96Å; L158-H196 PolarHBondContact O-CE1 3.33Å; L158-H196 VanDerWaalsContact O-CE1 3.3Å
159R98.3Very high96.1Very high146 Ų14635.1 Ų35.155%0.55117%0.169SC*.EExtended strand (participates in β ladder)trans-107.6118.6-177.8-61.3-169.272.6139.56.4111.2L119 F161L119-R159 PolarHBondContact N-O 2.86Å; L119-R159 VanDerWaalsContact N-O 3.15Å; R159-F161 HydrophobicContact CB-CD2 4.24Å; R159-F161 HydrophobicContact CB-CE2 3.73Å
160V98.8Very high94.8Very high0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans-94.6116.9173.7-174.50000109.3F101 L119 L121 L150 A153 G162 H196 P197 M198F101-V160 HydrophobicContact CE1-CG1 4.37Å; F101-V160 HydrophobicContact CE1-CG2 4.08Å; F101-V160 HydrophobicContact CZ-CG2 4.08Å; L119-V160 HydrophobicContact CB-CG2 4.39Å; L119-V160 CarbonylContact O-C 3.5Å; L119-V160 WeakPolarHBondContact O-CA 3.27Å; L121-V160 HydrophobicContact CB-CG1 4.36Å; L150-V160 HydrophobicContact CD2-CB 4.11Å; L150-V160 HydrophobicContact CD2-CG1 3.79Å; L150-V160 HydrophobicContact CD2-CG2 4.17Å; A153-V160 HydrophobicContact CB-CG2 3.72Å; V160-G162 WeakPolarHBondContact CG1-O 3.42Å; V160-H196 HydrophobicContact CB-CB 4.33Å; V160-H196 PolarHBondContact N-ND1 3.21Å; V160-H196 VanDerWaalsContact N-ND1 3.15Å; V160-H196 WeakPolarHBondContact O-CB 3.11Å; V160-P197 VanDerWaalsContact O-CD 3.25Å; V160-P197 WeakPolarHBondContact O-CD 3.49Å; V160-M198 HydrophobicContact CB-SD 4.26Å; V160-M198 HydrophobicContact CG1-SD 3.92Å; V160-M198 PolarHBondContact O-N 3.08Å
161F98.8Very high93.8Very high25 Ų2534.9 Ų34.911%0.1117%0.17CC..EExtended strand (participates in β ladder)trans-89-10.3-177.6-80.8-107.5000112.7H118 L119 L120 R159 P197 M198 N199 I200H118-F161 HydrophobicContact CB-CD2 3.51Å; H118-F161 HydrophobicContact CB-CE2 3.71Å; H118-F161 HydrophobicContact CB-CG 4Å; H118-F161 HydrophobicContact CB-CZ 4.37Å; H118-F161 AromaticContact CD2-CE2 3.39Å; H118-F161 WeakPolarHBondContact CD2-CE2 3.42Å; H118-F161 AromaticContact CD2-CZ 3.59Å; H118-F161 AromaticContact CE1-CE1 3.75Å; H118-F161 AromaticContact CE1-CZ 3.43Å; H118-F161 VanDerWaalsContact CE1-CZ 3.43Å; H118-F161 WeakPolarHBondContact CE1-CZ 3.12Å; H118-F161 AromaticContact CG-CD2 3.66Å; H118-F161 AromaticContact CG-CE2 3.33Å; H118-F161 AromaticContact CG-CZ 3.58Å; H118-F161 AromaticContact ND1-CD1 4Å; H118-F161 AromaticContact ND1-CE1 3.63Å; H118-F161 AromaticContact ND1-CE2 3.73Å; H118-F161 AromaticContact ND1-CZ 3.48Å; H118-F161 WeakPolarHBondContact ND1-CZ 3.43Å; H118-F161 AromaticContact NE2-CE2 3.86Å; H118-F161 AromaticContact NE2-CZ 3.53Å; L119-F161 PolarHBondContact O-N 3.24Å; L120-F161 HydrophobicContact CD2-CB 4.17Å; R159-F161 HydrophobicContact CB-CD2 4.24Å; R159-F161 HydrophobicContact CB-CE2 3.73Å; F161-P197 HydrophobicContact CD1-CB 4.06Å; F161-P197 HydrophobicContact CD1-CG 4.18Å; F161-P197 HydrophobicContact CD2-CG 4.14Å; F161-P197 HydrophobicContact CE1-CB 4.2Å; F161-P197 HydrophobicContact CE1-CG 4.05Å; F161-P197 HydrophobicContact CE2-CG 4.01Å; F161-P197 HydrophobicContact CG-CB 4.34Å; F161-P197 HydrophobicContact CG-CG 4.23Å; F161-P197 HydrophobicContact CZ-CG 3.96Å; F161-M198 CarbonylContact O-C 3.54Å; F161-M198 VanDerWaalsContact O-C 3.27Å; F161-M198 VanDerWaalsContact O-CA 3.25Å; F161-M198 WeakPolarHBondContact O-CA 3.3Å; F161-N199 WeakPolarHBondContact CD1-OD1 3.36Å; F161-N199 PolarHBondContact O-N 3.48Å; F161-N199 PolarHBondContact O-OD1 3.15Å; F161-I200 HydrophobicContact CB-CD1 4.06Å; F161-I200 HydrophobicContact CB-CG1 4.43Å; F161-I200 PolarHBondContact O-N 3.03Å
162G98.7Very high93Very high1 Ų135 Ų351%0.0117%0.167CC..EExtended strand (participates in β ladder)trans170.8-172.5-175.600000115.3L120 L121 V160 I200L120-G162 WeakPolarHBondContact CA-O 3.38Å; L121-G162 PolarHBondContact N-O 2.79Å; V160-G162 WeakPolarHBondContact CG1-O 3.42Å; G162-I200 WeakPolarHBondContact CA-O 3.5Å
163I98.8Very high92.4Very high3 Ų336.2 Ų36.22%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-116.1139.2177.8-54.8-58.6000108.6L121 I123 A184 L187 M198 I200 D202L121-I163 HydrophobicContact CB-CD1 3.96Å; L121-I163 HydrophobicContact CD2-CD1 4.16Å; L121-I163 HydrophobicContact CG-CD1 4.41Å; L121-I163 CarbonylContact O-C 3.6Å; L121-I163 WeakPolarHBondContact O-CA 3.27Å; I123-I163 HydrophobicContact CD1-CG2 3.89Å; I123-I163 HydrophobicContact CG1-CG2 3.91Å; I123-I163 HydrophobicContact CG2-CG2 4.15Å; I163-A184 HydrophobicContact CB-CB 3.86Å; I163-A184 HydrophobicContact CG1-CB 4.31Å; I163-A184 HydrophobicContact CG2-CB 3.77Å; I163-L187 HydrophobicContact CD1-CB 3.79Å; I163-L187 HydrophobicContact CD1-CD1 4.15Å; I163-L187 HydrophobicContact CG1-CB 3.95Å; I163-M198 HydrophobicContact CD1-CE 3.62Å; I163-M198 HydrophobicContact CG1-CE 3.74Å; I163-I200 PolarHBondContact N-O 3Å; I163-D202 PolarHBondContact O-N 3.34Å
164S98.7Very high92.1Very high4 Ų436.8 Ų36.83%0.02818%0.179CC..EExtended strand (participates in β ladder)trans-119.6156165.873.10000111.2L121 R122 I123 D202L121-S164 PolarHBondContact O-N 3.32Å; R122-S164 CarbonylContact C-O 3.59Å; R122-S164 VanDerWaalsContact CA-O 3.25Å; R122-S164 WeakPolarHBondContact CA-O 3.19Å; R122-S164 WeakPolarHBondContact CA-OG 3.41Å; R122-S164 WeakPolarHBondContact CB-OG 3.18Å; I123-S164 WeakPolarHBondContact CG1-O 3.29Å; I123-S164 PolarHBondContact N-O 2.92Å; S164-D202 VanDerWaalsContact CA-O 3.27Å; S164-D202 WeakPolarHBondContact CA-O 3.37Å; S164-D202 WeakPolarHBondContact CB-OD2 3.23Å
165F97.6Very high91.9Very high2 Ų238 Ų381%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-148.6170.116961.6-94.2000109.9I123 V125 V167 Y177 I181 L201 D202 L203 G204I123-F165 HydrophobicContact CD1-CB 4.44Å; I123-F165 HydrophobicContact CG1-CB 3.78Å; V125-F165 HydrophobicContact CB-CB 4.19Å; V125-F165 HydrophobicContact CB-CD2 4.24Å; V125-F165 HydrophobicContact CB-CG 4.46Å; V125-F165 HydrophobicContact CG1-CD2 4.44Å; V125-F165 HydrophobicContact CG2-CB 3.61Å; V125-F165 HydrophobicContact CG2-CD2 4.15Å; V125-F165 HydrophobicContact CG2-CG 3.93Å; F165-V167 HydrophobicContact CD2-CG1 4.2Å; F165-V167 HydrophobicContact CE2-CG1 4.09Å; F165-Y177 AromaticContact CE2-CD1 3.97Å; F165-Y177 HydrophobicContact CE2-CD1 3.97Å; F165-Y177 HydrophobicContact CZ-CD1 4.45Å; F165-I181 HydrophobicContact CE1-CG1 4.28Å; F165-I181 HydrophobicContact CZ-CG1 4.03Å; F165-L201 HydrophobicContact CE1-CD1 4.3Å; F165-D202 PolarHBondContact N-O 3.37Å; F165-L203 HydrophobicContact CE1-CD2 3.87Å; F165-L203 HydrophobicContact CZ-CB 4.33Å; F165-L203 HydrophobicContact CZ-CD2 3.67Å; F165-L203 CarbonylContact O-C 3.09Å; F165-G204 WeakPolarHBondContact O-CA 3.45Å; F165-G204 PolarHBondContact O-N 3.09Å
166H94.9Very high91.6Very high14 Ų1431.9 Ų31.97%0.06515%0.154CC..  trans-148.4112.5175.6-171.5-54.8000109.9L134 G168 G205L134-H166 WeakPolarHBondContact CD1-ND1 3.48Å; H166-G168 VanDerWaalsContact C-N 3.27Å; H166-G168 PolarHBondContact ND1-N 3.17Å; H166-G168 PolarHBondContact O-N 3.42Å; H166-G205 PolarHBondContact CD2-N 3.05Å; H166-G205 VanDerWaalsContact CD2-N 3.33Å
167V91.8Very high91.6Very high0 Ų030.2 Ų30.20%015%0.145CC..  trans-66.4-27.1-173.2-60.80000114.1V125 D127 F165 C171 A176 Y177V125-V167 HydrophobicContact CG1-CG1 4.19Å; D127-V167 PolarHBondContact N-O 3.38Å; F165-V167 HydrophobicContact CD2-CG1 4.2Å; F165-V167 HydrophobicContact CE2-CG1 4.09Å; V167-C171 HydrophobicContact CG2-CB 3.88Å; V167-A176 HydrophobicContact CB-CB 4.04Å; V167-A176 HydrophobicContact CG1-CB 3.76Å; V167-Y177 HydrophobicContact CB-CE2 4.46Å; V167-Y177 HydrophobicContact CG1-CD1 4.03Å; V167-Y177 HydrophobicContact CG1-CD2 4.09Å; V167-Y177 HydrophobicContact CG1-CE1 4.14Å; V167-Y177 HydrophobicContact CG1-CE2 4.2Å; V167-Y177 HydrophobicContact CG1-CG 4.02Å; V167-Y177 HydrophobicContact CG2-CD2 4.27Å; V167-Y177 HydrophobicContact CG2-CE1 4.03Å; V167-Y177 HydrophobicContact CG2-CE2 3.57Å; V167-Y177 VanDerWaalsContact CG2-CZ 3.43Å; V167-Y177 WeakPolarHBondContact CG2-OH 3.38Å
168G81.2Confident91.5Very high0 Ų023.6 Ų23.60%012%0.117CC..  trans130.8156.5-179.200000110.8C132 H166 G206C132-G168 WeakPolarHBondContact O-CA 3.38Å; H166-G168 VanDerWaalsContact C-N 3.27Å; H166-G168 PolarHBondContact ND1-N 3.17Å; H166-G168 PolarHBondContact O-N 3.42Å; G168-G206 WeakPolarHBondContact O-CA 3.4Å
169S76.3Confident91.4Very high14 Ų1427.6 Ų27.610%0.09814%0.136CC..BIsolated β-bridgetrans-76.6136.5173.7174.70000109.5L131 C132 R247L131-S169 WeakPolarHBondContact CB-O 3.33Å; L131-S169 PolarHBondContact N-O 2.84Å; L131-S169 VanDerWaalsContact N-O 3.09Å; C132-S169 PolarHBondContact N-O 3.36Å; C132-S169 PolarHBondContact O-N 2.88Å; S169-R247 PolarHBondContact OG-NE 3.41Å
170G71.3Confident91.3Very high8 Ų820.6 Ų20.68%0.08211%0.11CC..THydrogen-bonded Turntrans68.247.5-178.500000111.7A130 L131 R172A130-G170 WeakPolarHBondContact CA-O 3.32Å; L131-G170 PolarHBondContact N-O 3.23Å; G170-R172 PolarHBondContact O-N 3.08Å
171C76.3Confident91.3Very high2 Ų220.6 Ų20.61%0.01411%0.11CC..  trans-54.9135174.5179.90000109.6D127 V167 N173 V216D127-C171 WeakPolarHBondContact OD2-CA 3.07Å; D127-C171 PolarHBondContact OD2-SG 2.7Å; V167-C171 HydrophobicContact CG2-CB 3.88Å; C171-N173 VanDerWaalsContact SG-C 3.55Å; C171-N173 PolarHBondContact SG-O 2.99Å; C171-V216 WeakPolarHBondContact O-CG1 3.42Å
172R82.8Confident91.2Very high113 Ų11320.6 Ų20.643%0.42611%0.114SC..SBendtrans-109.9-15.2175.5-65.9-175.6178.1171.30.9112D127 T129 G170 Y215D127-R172 PolarHBondContact OD2-N 3.48Å; T129-R172 VanDerWaalsContact O-CD 3.31Å; T129-R172 WeakPolarHBondContact O-CD 3.27Å; T129-R172 WeakPolarHBondContact OG1-CB 3.29Å; G170-R172 PolarHBondContact O-N 3.08Å; R172-Y215 HydrophobicContact CG-CD1 3.54Å; R172-Y215 HydrophobicContact CG-CE1 3.95Å; R172-Y215 HydrophobicContact CG-CG 4.45Å; R172-Y215 PolarHBondContact NH2-OH 3.18Å
173N86.6Confident91.2Very high69 Ų6921.5 Ų21.537%0.36912%0.118SC..  trans-121.4103.1178.3-177.89.4000112.3D127 C171 S175 A176D127-N173 PolarHBondContact OD2-N 2.82Å; C171-N173 VanDerWaalsContact SG-C 3.55Å; C171-N173 PolarHBondContact SG-O 2.99Å; N173-S175 VanDerWaalsContact CG-OG 3.27Å; N173-S175 PolarHBondContact ND2-OG 3.4Å; N173-S175 PolarHBondContact O-N 3.34Å; N173-S175 VanDerWaalsContact O-N 3.1Å; N173-S175 WeakPolarHBondContact OD1-CB 3.11Å; N173-S175 PolarHBondContact OD1-N 2.98Å; N173-S175 PolarHBondContact OD1-OG 3.06Å; N173-A176 WeakPolarHBondContact O-CB 2.89Å; N173-A176 PolarHBondContact O-N 2.88Å
174A92.4Very high91.2Very high11 Ų1121.4 Ų21.49%0.09112%0.118CC..THydrogen-bonded Turntrans-59.2-22.4177.600000113.9A176 Y177 V216 I221 V224A174-A176 PolarHBondContact O-N 3.01Å; A174-Y177 PolarHBondContact O-N 3.42Å; A174-Y177 VanDerWaalsContact O-N 3.13Å; A174-V216 HydrophobicContact CB-CG2 4.08Å; A174-I221 HydrophobicContact CB-CG1 4.03Å; A174-V224 HydrophobicContact CB-CB 4.26Å; A174-V224 HydrophobicContact CB-CG2 3.87Å
175S92.9Very high91.2Very high59 Ų5924.8 Ų24.841%0.41313%0.13SC..Hα-helixtrans-63.6-21.317984.40000113.3N173 Y177 A178 E179N173-S175 VanDerWaalsContact CG-OG 3.27Å; N173-S175 PolarHBondContact ND2-OG 3.4Å; N173-S175 PolarHBondContact O-N 3.34Å; N173-S175 VanDerWaalsContact O-N 3.1Å; N173-S175 WeakPolarHBondContact OD1-CB 3.11Å; N173-S175 PolarHBondContact OD1-N 2.98Å; N173-S175 PolarHBondContact OD1-OG 3.06Å; S175-Y177 PolarHBondContact O-N 2.82Å; S175-A178 WeakPolarHBondContact O-CB 3.45Å; S175-A178 PolarHBondContact O-N 3.02Å; S175-A178 VanDerWaalsContact O-N 3.09Å; S175-E179 PolarHBondContact O-N 2.69Å; S175-E179 VanDerWaalsContact O-N 3.08Å
176A93.7Very high91.2Very high1 Ų131 Ų311%0.00815%0.153CC..Hα-helixtrans-60.8-33.6175.300000111.9V125 D127 V167 N173 A174 E179 G180V125-A176 WeakPolarHBondContact CG1-O 3.42Å; D127-A176 HydrophobicContact CB-CB 3.98Å; V167-A176 HydrophobicContact CB-CB 4.04Å; V167-A176 HydrophobicContact CG1-CB 3.76Å; N173-A176 WeakPolarHBondContact O-CB 2.89Å; N173-A176 PolarHBondContact O-N 2.88Å; A174-A176 PolarHBondContact O-N 3.01Å; A176-E179 PolarHBondContact O-N 3.44Å; A176-G180 PolarHBondContact O-N 2.66Å
177Y96.5Very high91.4Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-66.9-39.8173.8-71.8-87.1000111.9F165 V167 A174 S175 G180 I181 G205 Y207 I221 I225F165-Y177 AromaticContact CE2-CD1 3.97Å; F165-Y177 HydrophobicContact CE2-CD1 3.97Å; F165-Y177 HydrophobicContact CZ-CD1 4.45Å; V167-Y177 HydrophobicContact CB-CE2 4.46Å; V167-Y177 HydrophobicContact CG1-CD1 4.03Å; V167-Y177 HydrophobicContact CG1-CD2 4.09Å; V167-Y177 HydrophobicContact CG1-CE1 4.14Å; V167-Y177 HydrophobicContact CG1-CE2 4.2Å; V167-Y177 HydrophobicContact CG1-CG 4.02Å; V167-Y177 HydrophobicContact CG2-CD2 4.27Å; V167-Y177 HydrophobicContact CG2-CE1 4.03Å; V167-Y177 HydrophobicContact CG2-CE2 3.57Å; V167-Y177 VanDerWaalsContact CG2-CZ 3.43Å; V167-Y177 WeakPolarHBondContact CG2-OH 3.38Å; A174-Y177 PolarHBondContact O-N 3.42Å; A174-Y177 VanDerWaalsContact O-N 3.13Å; S175-Y177 PolarHBondContact O-N 2.82Å; Y177-G180 PolarHBondContact O-N 3.06Å; Y177-I181 WeakPolarHBondContact O-CD1 3.49Å; Y177-I181 WeakPolarHBondContact O-CG1 3.41Å; Y177-I181 PolarHBondContact O-N 3.26Å; Y177-G205 PolarHBondContact OH-O 3.23Å; Y177-G205 VanDerWaalsContact OH-O 3.11Å; Y177-Y207 AromaticContact CE1-CE1 3.8Å; Y177-Y207 HydrophobicContact CE1-CE1 3.8Å; Y177-Y207 AromaticContact CE1-CZ 3.95Å; Y177-Y207 AromaticContact CZ-CE1 3.78Å; Y177-Y207 WeakPolarHBondContact OH-CE1 3.19Å; Y177-I221 HydrophobicContact CD2-CG2 3.77Å; Y177-I221 HydrophobicContact CE2-CB 4.5Å; Y177-I221 HydrophobicContact CE2-CD1 4.27Å; Y177-I221 HydrophobicContact CE2-CG1 4.23Å; Y177-I221 HydrophobicContact CE2-CG2 3.47Å; Y177-I221 VanDerWaalsContact CE2-CG2 3.47Å; Y177-I221 HydrophobicContact CG-CG2 4.41Å; Y177-I225 HydrophobicContact CD1-CD1 3.67Å; Y177-I225 HydrophobicContact CD1-CG1 3.98Å; Y177-I225 HydrophobicContact CE1-CD1 3.99Å; Y177-I225 HydrophobicContact CG-CD1 3.97Å; Y177-I225 HydrophobicContact CG-CG1 3.92Å
178A96.5Very high91.7Very high19 Ų1932.5 Ų32.516%0.15716%0.159CC..Hα-helixtrans-60.1-46.7176.400000111.3S175 G180 I181 A182 V224 N228S175-A178 WeakPolarHBondContact O-CB 3.45Å; S175-A178 PolarHBondContact O-N 3.02Å; S175-A178 VanDerWaalsContact O-N 3.09Å; A178-G180 PolarHBondContact O-N 3.03Å; A178-I181 PolarHBondContact O-N 3.11Å; A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 3.41Å; A178-V224 HydrophobicContact CB-CG1 3.99Å; A178-N228 WeakPolarHBondContact CB-ND2 3.41Å; A178-N228 WeakPolarHBondContact CB-OD1 3.3Å
179E95.7Very high92.5Very high88 Ų8835.7 Ų35.741%0.41118%0.176SC..Hα-helixtrans-57.2-50175.1179.7-179.2165.500111.7S175 A176 I181 A182 H183S175-E179 PolarHBondContact O-N 2.69Å; S175-E179 VanDerWaalsContact O-N 3.08Å; A176-E179 PolarHBondContact O-N 3.44Å; E179-I181 VanDerWaalsContact C-N 3.35Å; E179-I181 PolarHBondContact O-N 2.82Å; E179-A182 PolarHBondContact O-N 2.7Å; E179-H183 PolarHBondContact O-CD2 3.39Å; E179-H183 VanDerWaalsContact O-CD2 3.27Å; E179-H183 PolarHBondContact O-N 3.44Å
180G97Very high93.6Very high0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-59.2-42.7178.500000113.4A176 Y177 A178 H183 A184A176-G180 PolarHBondContact O-N 2.66Å; Y177-G180 PolarHBondContact O-N 3.06Å; A178-G180 PolarHBondContact O-N 3.03Å; G180-H183 PolarHBondContact O-N 3.23Å; G180-A184 VanDerWaalsContact O-CB 3.32Å; G180-A184 WeakPolarHBondContact O-CB 3.46Å; G180-A184 PolarHBondContact O-N 3.3Å
181I98.4Very high94.9Very high0 Ų038.4 Ų38.40%018%0.182CC..Hα-helixtrans-64-44.9176.6-66.6165.4000110.6F165 Y177 A178 E179 H183 A184 R185 L203 I225 N228 L229 H232 F233F165-I181 HydrophobicContact CE1-CG1 4.28Å; F165-I181 HydrophobicContact CZ-CG1 4.03Å; Y177-I181 WeakPolarHBondContact O-CD1 3.49Å; Y177-I181 WeakPolarHBondContact O-CG1 3.41Å; Y177-I181 PolarHBondContact O-N 3.26Å; A178-I181 PolarHBondContact O-N 3.11Å; E179-I181 VanDerWaalsContact C-N 3.35Å; E179-I181 PolarHBondContact O-N 2.82Å; I181-H183 PolarHBondContact O-N 3.16Å; I181-A184 PolarHBondContact O-N 2.68Å; I181-R185 PolarHBondContact O-N 3.38Å; I181-L203 HydrophobicContact CD1-CD2 4.12Å; I181-L203 HydrophobicContact CG1-CD2 3.78Å; I181-I225 HydrophobicContact CD1-CG2 4.45Å; I181-N228 HydrophobicContact CB-CB 4.24Å; I181-N228 HydrophobicContact CD1-CB 3.71Å; I181-N228 HydrophobicContact CG2-CB 4.06Å; I181-L229 HydrophobicContact CD1-CD2 4.32Å; I181-L229 HydrophobicContact CD1-CG 4.38Å; I181-H232 HydrophobicContact CG2-CB 3.91Å; I181-F233 HydrophobicContact CG2-CD2 3.79Å; I181-F233 HydrophobicContact CG2-CE2 3.79Å
182A97.9Very high95.9Very high25 Ų2541.7 Ų41.721%0.20720%0.199CC..Hα-helixtrans-64.3-38.617900000112.7A178 E179 R186A178-A182 WeakPolarHBondContact O-CB 3.48Å; A178-A182 PolarHBondContact O-N 3.41Å; E179-A182 PolarHBondContact O-N 2.7Å; A182-R186 PolarHBondContact O-N 3.23Å; A182-R186 PolarHBondContact O-NE 3.44Å
183H98.1Very high96.7Very high20 Ų2044.2 Ų44.29%0.09321%0.213CC..Hα-helixtrans-65.8-46.6172-83.7-77.8000111.9I123 P142 E179 G180 I181 R185 R186 L187I123-H183 HydrophobicContact CD1-CB 3.66Å; P142-H183 HydrophobicContact CB-CB 4.01Å; P142-H183 WeakPolarHBondContact CB-ND1 3.48Å; P142-H183 WeakPolarHBondContact CG-ND1 3.34Å; E179-H183 PolarHBondContact O-CD2 3.39Å; E179-H183 VanDerWaalsContact O-CD2 3.27Å; E179-H183 PolarHBondContact O-N 3.44Å; G180-H183 PolarHBondContact O-N 3.23Å; I181-H183 PolarHBondContact O-N 3.16Å; H183-R185 PolarHBondContact O-N 3.3Å; H183-R186 PolarHBondContact CD2-NH2 3.49Å; H183-R186 VanDerWaalsContact CD2-NH2 3.34Å; H183-R186 PolarHBondContact CE1-NH2 3.14Å; H183-R186 PolarHBondContact ND1-NH2 2.98Å; H183-R186 PolarHBondContact NE2-NH2 3.17Å; H183-R186 VanDerWaalsContact NE2-NH2 3.15Å; H183-R186 PolarHBondContact O-N 2.95Å; H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 2.83Å
184A98.6Very high97.2Very high1 Ų143.1 Ų43.11%0.00821%0.207CC..Hα-helixtrans-58.6-35.7178.300000112.1I163 G180 I181 L187 R188 L201 F233I163-A184 HydrophobicContact CB-CB 3.86Å; I163-A184 HydrophobicContact CG1-CB 4.31Å; I163-A184 HydrophobicContact CG2-CB 3.77Å; G180-A184 VanDerWaalsContact O-CB 3.32Å; G180-A184 WeakPolarHBondContact O-CB 3.46Å; G180-A184 PolarHBondContact O-N 3.3Å; I181-A184 PolarHBondContact O-N 2.68Å; A184-L187 PolarHBondContact O-N 3.19Å; A184-R188 WeakPolarHBondContact O-CB 3.03Å; A184-R188 PolarHBondContact O-N 3.32Å; A184-L201 HydrophobicContact CB-CD1 3.44Å; A184-L201 VanDerWaalsContact CB-CD1 3.44Å; A184-F233 HydrophobicContact CB-CE2 4.44Å; A184-F233 HydrophobicContact CB-CZ 4.14Å
185R98.4Very high97.5Very high75 Ų7545.3 Ų45.328%0.28323%0.231SC..Hα-helixtrans-65.1-47.2176.3175.852.8-155.4-104.60.4112.9I181 H183 L187 R188 D189 H232 F233I181-R185 PolarHBondContact O-N 3.38Å; H183-R185 PolarHBondContact O-N 3.3Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3.3Å; R185-R188 WeakPolarHBondContact O-CB 3.14Å; R185-R188 PolarHBondContact O-N 3.06Å; R185-D189 IonicContact CZ-OD1 2.89Å; R185-D189 IonicContact CZ-OD2 2.68Å; R185-D189 VanDerWaalsContact NE-CG 3.29Å; R185-D189 IonicContact NE-OD1 3.76Å; R185-D189 PolarHBondContact NE-OD1 3.48Å; R185-D189 IonicContact NE-OD2 3.44Å; R185-D189 PolarHBondContact NE-OD2 3.36Å; R185-D189 IonicContact NH2-OD1 3.33Å; R185-D189 PolarHBondContact NH2-OD1 2.6Å; R185-D189 VanDerWaalsContact NH2-OD1 3.14Å; R185-D189 IonicContact NH2-OD2 3.14Å; R185-D189 PolarHBondContact NH2-OD2 2.69Å; R185-D189 PolarHBondContact O-N 3.21Å; R185-D189 VanDerWaalsContact O-N 3.15Å; R185-H232 HydrophobicContact CB-CB 3.95Å; R185-H232 VanDerWaalsContact CD-O 3.31Å; R185-H232 WeakPolarHBondContact CD-O 3.34Å; R185-H232 HydrophobicContact CG-CB 4.11Å; R185-H232 PolarHBondContact NH1-O 3.17Å; R185-F233 HydrophobicContact CB-CE2 3.8Å; R185-F233 HydrophobicContact CB-CZ 3.91Å
186R98.2Very high97.8Very high132 Ų13243 Ų4350%0.49821%0.214SC..Hα-helixtrans-59-44.8176.3-74.4178.7-81.3154.5-11.4111.6A182 H183 D189 Y190A182-R186 PolarHBondContact O-N 3.23Å; A182-R186 PolarHBondContact O-NE 3.44Å; H183-R186 PolarHBondContact CD2-NH2 3.49Å; H183-R186 VanDerWaalsContact CD2-NH2 3.34Å; H183-R186 PolarHBondContact CE1-NH2 3.14Å; H183-R186 PolarHBondContact ND1-NH2 2.98Å; H183-R186 PolarHBondContact NE2-NH2 3.17Å; H183-R186 VanDerWaalsContact NE2-NH2 3.15Å; H183-R186 PolarHBondContact O-N 2.95Å; R186-D189 PolarHBondContact O-N 2.76Å; R186-Y190 PolarHBondContact O-N 3.44Å
187L98.7Very high98Very high6 Ų644.2 Ų44.23%0.03122%0.222CC..Hα-helixtrans-68.8-33.5178.8-70.6168.6000112.8I123 P142 A146 P147 L150 I163 H183 A184 R185 G191I123-L187 HydrophobicContact CD1-CD1 4.31Å; I123-L187 HydrophobicContact CG2-CD1 3.62Å; P142-L187 HydrophobicContact CB-CD1 4.45Å; A146-L187 HydrophobicContact CB-CD1 3.73Å; A146-L187 HydrophobicContact CB-CD2 3.6Å; A146-L187 HydrophobicContact CB-CG 4.33Å; P147-L187 HydrophobicContact CG-CD2 4.02Å; L150-L187 HydrophobicContact CD1-CB 4.3Å; L150-L187 HydrophobicContact CD1-CD2 4Å; I163-L187 HydrophobicContact CD1-CB 3.79Å; I163-L187 HydrophobicContact CD1-CD1 4.15Å; I163-L187 HydrophobicContact CG1-CB 3.95Å; H183-L187 WeakPolarHBondContact O-CG 3.36Å; H183-L187 PolarHBondContact O-N 2.83Å; A184-L187 PolarHBondContact O-N 3.19Å; R185-L187 VanDerWaalsContact C-N 3.32Å; R185-L187 PolarHBondContact O-N 3.3Å; L187-G191 PolarHBondContact O-N 3.14Å
188R98.4Very high98.1Very high40 Ų4044.4 Ų44.415%0.15122%0.223CC..Hα-helixtrans-57.4-51170.7167.4175.5180-75.38111.2A184 R185 Y190 G191 L192 M198 A237A184-R188 WeakPolarHBondContact O-CB 3.03Å; A184-R188 PolarHBondContact O-N 3.32Å; R185-R188 WeakPolarHBondContact O-CB 3.14Å; R185-R188 PolarHBondContact O-N 3.06Å; R188-Y190 VanDerWaalsContact C-N 3.3Å; R188-Y190 PolarHBondContact O-N 2.89Å; R188-G191 PolarHBondContact O-N 3.28Å; R188-L192 HydrophobicContact CG-CD1 3.99Å; R188-L192 HydrophobicContact CG-CG 4.37Å; R188-L192 WeakPolarHBondContact O-CG 3.48Å; R188-L192 PolarHBondContact O-N 3.24Å; R188-M198 HydrophobicContact CB-CB 4.46Å; R188-M198 HydrophobicContact CB-CE 4.4Å; R188-M198 HydrophobicContact CG-CB 3.95Å; R188-A237 PolarHBondContact NH2-O 3.21Å
189D98.1Very high98.2Very high66 Ų6646.6 Ų46.635%0.35323%0.232SC..Hα-helixtrans-63.2-40.9-175.9-67.2-13.1000111.1R185 R186 F193R185-D189 IonicContact CZ-OD1 2.89Å; R185-D189 IonicContact CZ-OD2 2.68Å; R185-D189 VanDerWaalsContact NE-CG 3.29Å; R185-D189 IonicContact NE-OD1 3.76Å; R185-D189 PolarHBondContact NE-OD1 3.48Å; R185-D189 IonicContact NE-OD2 3.44Å; R185-D189 PolarHBondContact NE-OD2 3.36Å; R185-D189 IonicContact NH2-OD1 3.33Å; R185-D189 PolarHBondContact NH2-OD1 2.6Å; R185-D189 VanDerWaalsContact NH2-OD1 3.14Å; R185-D189 IonicContact NH2-OD2 3.14Å; R185-D189 PolarHBondContact NH2-OD2 2.69Å; R185-D189 PolarHBondContact O-N 3.21Å; R185-D189 VanDerWaalsContact O-N 3.15Å; R186-D189 PolarHBondContact O-N 2.76Å; D189-F193 PolarHBondContact O-N 3.21Å; D189-F193 VanDerWaalsContact O-N 3.14Å
190Y98.5Very high98.3Very high80 Ų8043.3 Ų43.331%0.31422%0.217SC..Hα-helixtrans-67.4-40.1173.7-176.5-115.9000113.1P147 L150 R186 R188 L192 F193 L194P147-Y190 HydrophobicContact CB-CD1 4.02Å; P147-Y190 HydrophobicContact CB-CE1 3.68Å; P147-Y190 WeakPolarHBondContact O-CE1 3.29Å; L150-Y190 HydrophobicContact CB-CE1 4.47Å; L150-Y190 HydrophobicContact CD1-CD1 4.06Å; R186-Y190 PolarHBondContact O-N 3.44Å; R188-Y190 VanDerWaalsContact C-N 3.3Å; R188-Y190 PolarHBondContact O-N 2.89Å; Y190-L192 PolarHBondContact O-N 2.82Å; Y190-F193 HydrophobicContact CD2-CD1 4.34Å; Y190-F193 HydrophobicContact CE2-CD1 4.26Å; Y190-F193 WeakPolarHBondContact O-CB 3.49Å; Y190-F193 PolarHBondContact O-N 3.16Å; Y190-L194 HydrophobicContact CD1-CD1 3.98Å; Y190-L194 HydrophobicContact CE1-CD1 3.49Å; Y190-L194 VanDerWaalsContact CE1-CD1 3.49Å; Y190-L194 HydrophobicContact CE1-CG 4.31Å; Y190-L194 HydrophobicContact CE2-CD1 4.44Å; Y190-L194 HydrophobicContact CE2-CG 4.43Å; Y190-L194 WeakPolarHBondContact O-CG 3.4Å; Y190-L194 PolarHBondContact O-N 3.09Å; Y190-L194 VanDerWaalsContact O-N 3.12Å
191G98.7Very high98.4Very high0 Ų043.3 Ų43.30%022%0.217CC..Hα-helixtrans-62.3-42.1175.800000112.5L187 R188 F193 L194 G195 H196L187-G191 PolarHBondContact O-N 3.14Å; R188-G191 PolarHBondContact O-N 3.28Å; G191-F193 VanDerWaalsContact C-N 3.34Å; G191-F193 PolarHBondContact O-N 3.46Å; G191-L194 PolarHBondContact O-N 3.28Å; G191-L194 VanDerWaalsContact O-N 3.15Å; G191-G195 PolarHBondContact O-N 3.34Å; G191-H196 WeakPolarHBondContact O-CB 3.22Å; G191-H196 PolarHBondContact O-N 3.43Å
192L98.4Very high98.4Very high71 Ų7143.3 Ų43.337%0.37222%0.217SC..Hα-helixtrans-60.7-42.6173.8-72.2171.8000111.6R188 Y190 L194 G195 M198R188-L192 HydrophobicContact CG-CD1 3.99Å; R188-L192 HydrophobicContact CG-CG 4.37Å; R188-L192 WeakPolarHBondContact O-CG 3.48Å; R188-L192 PolarHBondContact O-N 3.24Å; Y190-L192 PolarHBondContact O-N 2.82Å; L192-L194 PolarHBondContact O-N 3.3Å; L192-G195 PolarHBondContact O-N 2.96Å; L192-M198 HydrophobicContact CD2-CB 4.07Å; L192-M198 HydrophobicContact CG-CB 4.04Å; L192-M198 HydrophobicContact CG-CG 4.37Å
193F98.3Very high98.4Very high165 Ų16542.1 Ų42.172%0.72421%0.207SC*.Hα-helixtrans-58.9-34.5174.8171.5-98.4000112.6D189 Y190 G191 G195D189-F193 PolarHBondContact O-N 3.21Å; D189-F193 VanDerWaalsContact O-N 3.14Å; Y190-F193 HydrophobicContact CD2-CD1 4.34Å; Y190-F193 HydrophobicContact CE2-CD1 4.26Å; Y190-F193 WeakPolarHBondContact O-CB 3.49Å; Y190-F193 PolarHBondContact O-N 3.16Å; G191-F193 VanDerWaalsContact C-N 3.34Å; G191-F193 PolarHBondContact O-N 3.46Å; F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 3.13Å
194L98.5Very high98.4Very high46 Ų4641.2 Ų41.224%0.24120%0.203CC..THydrogen-bonded Turntrans-80.1-3.1175.2-65.5172.8000114.2L150 K151 A154 Y190 G191 L192L150-L194 HydrophobicContact CB-CD1 3.91Å; K151-L194 HydrophobicContact CB-CD1 4.23Å; A154-L194 HydrophobicContact CB-CB 4.39Å; Y190-L194 HydrophobicContact CD1-CD1 3.98Å; Y190-L194 HydrophobicContact CE1-CD1 3.49Å; Y190-L194 VanDerWaalsContact CE1-CD1 3.49Å; Y190-L194 HydrophobicContact CE1-CG 4.31Å; Y190-L194 HydrophobicContact CE2-CD1 4.44Å; Y190-L194 HydrophobicContact CE2-CG 4.43Å; Y190-L194 WeakPolarHBondContact O-CG 3.4Å; Y190-L194 PolarHBondContact O-N 3.09Å; Y190-L194 VanDerWaalsContact O-N 3.12Å; G191-L194 PolarHBondContact O-N 3.28Å; G191-L194 VanDerWaalsContact O-N 3.15Å; L192-L194 PolarHBondContact O-N 3.3Å
195G98.3Very high98.2Very high58 Ų5841.2 Ų41.260%0.59820%0.203SC*.THydrogen-bonded Turntrans89.410.3-179.800000115.3G191 L192 F193G191-G195 PolarHBondContact O-N 3.34Å; L192-G195 PolarHBondContact O-N 2.96Å; F193-G195 VanDerWaalsContact C-N 3.29Å; F193-G195 PolarHBondContact O-N 3.13Å
196H98.6Very high97.9Very high9 Ų938 Ų384%0.04219%0.194CC..  trans-75.3146.3173.6-70.4-57.7000111.7L150 L158 V160 G191 M198L150-H196 PolarHBondContact O-NE2 3.17Å; L158-H196 PolarHBondContact O-CE1 3.33Å; L158-H196 VanDerWaalsContact O-CE1 3.3Å; V160-H196 HydrophobicContact CB-CB 4.33Å; V160-H196 PolarHBondContact N-ND1 3.21Å; V160-H196 VanDerWaalsContact N-ND1 3.15Å; V160-H196 WeakPolarHBondContact O-CB 3.11Å; G191-H196 WeakPolarHBondContact O-CB 3.22Å; G191-H196 PolarHBondContact O-N 3.43Å; H196-M198 HydrophobicContact CB-CG 3.8Å; H196-M198 HydrophobicContact CB-SD 3.93Å; H196-M198 PolarHBondContact O-N 3.5Å
197P98.2Very high97.8Very high28 Ų2831.9 Ų31.918%0.18217%0.171CC..  trans-58.5-41.9177-20.222.5000115.9V160 F161 N199V160-P197 VanDerWaalsContact O-CD 3.25Å; V160-P197 WeakPolarHBondContact O-CD 3.49Å; F161-P197 HydrophobicContact CD1-CB 4.06Å; F161-P197 HydrophobicContact CD1-CG 4.18Å; F161-P197 HydrophobicContact CD2-CG 4.14Å; F161-P197 HydrophobicContact CE1-CB 4.2Å; F161-P197 HydrophobicContact CE1-CG 4.05Å; F161-P197 HydrophobicContact CE2-CG 4.01Å; F161-P197 HydrophobicContact CG-CB 4.34Å; F161-P197 HydrophobicContact CG-CG 4.23Å; F161-P197 HydrophobicContact CZ-CG 3.96Å; P197-N199 VanDerWaalsContact C-N 3.28Å; P197-N199 PolarHBondContact O-N 3.33Å; P197-N199 VanDerWaalsContact O-N 3.1Å
198M98.5Very high97.5Very high3 Ų332.5 Ų32.52%0.01518%0.175CC..  trans43.444178-53.7-56.6-73.200116.1L150 V160 F161 I163 R188 L192 H196L150-M198 HydrophobicContact CD2-CE 4.49Å; L150-M198 HydrophobicContact CD2-SD 4.46Å; V160-M198 HydrophobicContact CB-SD 4.26Å; V160-M198 HydrophobicContact CG1-SD 3.92Å; V160-M198 PolarHBondContact O-N 3.08Å; F161-M198 CarbonylContact O-C 3.54Å; F161-M198 VanDerWaalsContact O-C 3.27Å; F161-M198 VanDerWaalsContact O-CA 3.25Å; F161-M198 WeakPolarHBondContact O-CA 3.3Å; I163-M198 HydrophobicContact CD1-CE 3.62Å; I163-M198 HydrophobicContact CG1-CE 3.74Å; R188-M198 HydrophobicContact CB-CB 4.46Å; R188-M198 HydrophobicContact CB-CE 4.4Å; R188-M198 HydrophobicContact CG-CB 3.95Å; L192-M198 HydrophobicContact CD2-CB 4.07Å; L192-M198 HydrophobicContact CG-CB 4.04Å; L192-M198 HydrophobicContact CG-CG 4.37Å; H196-M198 HydrophobicContact CB-CG 3.8Å; H196-M198 HydrophobicContact CB-SD 3.93Å; H196-M198 PolarHBondContact O-N 3.5Å
199N98.3Very high97.2Very high65 Ų6530.6 Ų30.635%0.34817%0.168SC..  trans-107.512.5-176.567.4-16.4000114.2F161 P197 V239 R240F161-N199 WeakPolarHBondContact CD1-OD1 3.36Å; F161-N199 PolarHBondContact O-N 3.48Å; F161-N199 PolarHBondContact O-OD1 3.15Å; P197-N199 VanDerWaalsContact C-N 3.28Å; P197-N199 PolarHBondContact O-N 3.33Å; P197-N199 VanDerWaalsContact O-N 3.1Å; N199-V239 WeakPolarHBondContact O-CA 3.42Å; N199-R240 PolarHBondContact O-N 3.36Å
200I98.7Very high96.7Very high19 Ų1929.1 Ų29.110%0.09716%0.159CC..EExtended strand (participates in β ladder)trans-126.7136.1175.1-57.7177.5000109.4L98 L120 F161 G162 I163 R240 I242L98-I200 HydrophobicContact CD1-CD1 3.88Å; L98-I200 HydrophobicContact CD2-CD1 4.19Å; L120-I200 HydrophobicContact CD1-CG2 4.05Å; L120-I200 HydrophobicContact CD2-CB 3.88Å; L120-I200 HydrophobicContact CD2-CD1 4.37Å; L120-I200 HydrophobicContact CD2-CG2 3.93Å; F161-I200 HydrophobicContact CB-CD1 4.06Å; F161-I200 HydrophobicContact CB-CG1 4.43Å; F161-I200 PolarHBondContact O-N 3.03Å; G162-I200 WeakPolarHBondContact CA-O 3.5Å; I163-I200 PolarHBondContact N-O 3Å; I200-R240 WeakPolarHBondContact CA-O 3.06Å; I200-I242 HydrophobicContact CG2-CD1 4.14Å; I200-I242 HydrophobicContact CG2-CG1 4.32Å
201L98.8Very high96.1Very high1 Ų132 Ų321%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-120.9127.6164.1175.763.2000108.2F165 A184 L203 L229 F233 V239 R240 I241 I242F165-L201 HydrophobicContact CE1-CD1 4.3Å; A184-L201 HydrophobicContact CB-CD1 3.44Å; A184-L201 VanDerWaalsContact CB-CD1 3.44Å; L201-L203 HydrophobicContact CD2-CD2 3.74Å; L201-L203 HydrophobicContact CG-CD2 3.88Å; L201-L229 HydrophobicContact CD2-CD2 3.81Å; L201-F233 HydrophobicContact CD1-CZ 4.38Å; L201-F233 HydrophobicContact CD2-CD2 3.74Å; L201-F233 HydrophobicContact CD2-CE1 4.39Å; L201-F233 HydrophobicContact CD2-CE2 3.62Å; L201-F233 HydrophobicContact CD2-CG 4.2Å; L201-F233 HydrophobicContact CD2-CZ 3.95Å; L201-V239 HydrophobicContact CB-CG1 4.05Å; L201-R240 PolarHBondContact N-O 3.44Å; L201-I241 HydrophobicContact CB-CD1 3.82Å; L201-I241 HydrophobicContact CD2-CD1 4.12Å; L201-I241 WeakPolarHBondContact O-CA 3.44Å; L201-I242 PolarHBondContact O-N 2.72Å
202D98.8Very high95.4Very high0 Ų033.5 Ų33.50%018%0.183CC..EExtended strand (participates in β ladder)trans-114.7114.9176.7175.311.5000110.5L120 I163 S164 F165 G204 I242 E244L120-D202 HydrophobicContact CD1-CB 4.02Å; I163-D202 PolarHBondContact O-N 3.34Å; S164-D202 VanDerWaalsContact CA-O 3.27Å; S164-D202 WeakPolarHBondContact CA-O 3.37Å; S164-D202 WeakPolarHBondContact CB-OD2 3.23Å; F165-D202 PolarHBondContact N-O 3.37Å; D202-G204 PolarHBondContact O-N 2.78Å; D202-G204 PolarHBondContact OD1-N 3.11Å; D202-I242 WeakPolarHBondContact CA-O 3.12Å; D202-I242 HydrophobicContact CB-CD1 3.94Å; D202-I242 HydrophobicContact CB-CG1 3.56Å; D202-E244 VanDerWaalsContact OD2-OE1 3.1Å
203L98.4Very high94.7Very high0 Ų036.5 Ų36.50%021%0.207CC..  trans-82.4-1.3-176.3-54.4176.5000112.9V30 F165 I181 L201 I225 L229 I241 I242 A243V30-L203 HydrophobicContact CG1-CD1 4.1Å; V30-L203 HydrophobicContact CG2-CD1 3.99Å; F165-L203 HydrophobicContact CE1-CD2 3.87Å; F165-L203 HydrophobicContact CZ-CB 4.33Å; F165-L203 HydrophobicContact CZ-CD2 3.67Å; F165-L203 CarbonylContact O-C 3.09Å; I181-L203 HydrophobicContact CD1-CD2 4.12Å; I181-L203 HydrophobicContact CG1-CD2 3.78Å; L201-L203 HydrophobicContact CD2-CD2 3.74Å; L201-L203 HydrophobicContact CG-CD2 3.88Å; L203-I225 HydrophobicContact CD1-CD1 4.49Å; L203-I225 HydrophobicContact CD1-CG2 3.67Å; L203-L229 HydrophobicContact CD1-CD1 4.43Å; L203-I241 HydrophobicContact CD1-CG2 3.77Å; L203-I241 HydrophobicContact CG-CG2 4Å; L203-I242 PolarHBondContact N-O 3.43Å; L203-A243 HydrophobicContact CB-CB 4.19Å
204G97Very high93.8Very high0 Ų034.8 Ų34.80%021%0.205CC..  trans61.3-153.2-179.200000113F165 D202 Y207 A243 E244F165-G204 WeakPolarHBondContact O-CA 3.45Å; F165-G204 PolarHBondContact O-N 3.09Å; D202-G204 PolarHBondContact O-N 2.78Å; D202-G204 PolarHBondContact OD1-N 3.11Å; G204-Y207 WeakPolarHBondContact O-CE2 3.31Å; G204-Y207 PolarHBondContact O-OH 3.27Å; G204-A243 WeakPolarHBondContact O-CB 3.21Å; G204-E244 PolarHBondContact O-N 3.19Å
205G95.2Very high93Very high1 Ų134.3 Ų34.31%0.0120%0.201CC..  trans-112.2-163.5-179.200000113H166 Y177 E244H166-G205 PolarHBondContact CD2-N 3.05Å; H166-G205 VanDerWaalsContact CD2-N 3.33Å; Y177-G205 PolarHBondContact OH-O 3.23Å; Y177-G205 VanDerWaalsContact OH-O 3.11Å; G205-E244 WeakPolarHBondContact CA-O 3.43Å
206G92.2Very high92.5Very high9 Ų932.5 Ų32.59%0.09318%0.178CC..  trans117.4-9.817700000114.8G168G168-G206 WeakPolarHBondContact O-CA 3.4Å
207Y94.7Very high92.3Very high3 Ų333.4 Ų33.41%0.01219%0.185CC..  trans-62.2135.7178.4-40.9-81.3000112.1W23 L27 Y177 G204 F218 I221 I225 A243 P245W23-Y207 HydrophobicContact CH2-CD2 4.04Å; W23-Y207 HydrophobicContact CH2-CE1 4.37Å; W23-Y207 AromaticContact CH2-CE2 3.61Å; W23-Y207 HydrophobicContact CH2-CE2 3.61Å; W23-Y207 AromaticContact CH2-CZ 3.82Å; W23-Y207 HydrophobicContact CZ3-CD1 4.38Å; W23-Y207 AromaticContact CZ3-CD2 3.74Å; W23-Y207 HydrophobicContact CZ3-CD2 3.74Å; W23-Y207 HydrophobicContact CZ3-CE1 4.44Å; W23-Y207 AromaticContact CZ3-CE2 3.82Å; W23-Y207 HydrophobicContact CZ3-CE2 3.82Å; W23-Y207 HydrophobicContact CZ3-CG 4.04Å; L27-Y207 HydrophobicContact CD1-CE1 4.4Å; Y177-Y207 AromaticContact CE1-CE1 3.8Å; Y177-Y207 HydrophobicContact CE1-CE1 3.8Å; Y177-Y207 AromaticContact CE1-CZ 3.95Å; Y177-Y207 AromaticContact CZ-CE1 3.78Å; Y177-Y207 WeakPolarHBondContact OH-CE1 3.19Å; G204-Y207 WeakPolarHBondContact O-CE2 3.31Å; G204-Y207 PolarHBondContact O-OH 3.27Å; Y207-F218 HydrophobicContact CD1-CD2 4.09Å; Y207-F218 AromaticContact CD1-CE2 3.99Å; Y207-F218 HydrophobicContact CD1-CE2 3.99Å; Y207-F218 HydrophobicContact CG-CD2 4.39Å; Y207-F218 HydrophobicContact CG-CE2 4.35Å; Y207-I221 HydrophobicContact CD1-CG2 3.89Å; Y207-I221 HydrophobicContact CE1-CG2 4.01Å; Y207-I225 HydrophobicContact CE1-CD1 3.78Å; Y207-A243 HydrophobicContact CE2-CB 4.19Å; Y207-A243 WeakPolarHBondContact OH-CB 3.2Å; Y207-P245 HydrophobicContact CD2-CB 3.91Å; Y207-P245 HydrophobicContact CE2-CB 4.29Å
208P92.6Very high92.2Very high19 Ų1932.4 Ų32.412%0.12318%0.178CC..  trans-69.7144.9179.930.8-36.3000111.1F218 F248P208-F218 HydrophobicContact CG-CB 4.16Å; P208-F248 VanDerWaalsContact O-CD2 3.29Å; P208-F248 WeakPolarHBondContact O-CD2 3.38Å
209G91.6Very high92Very high0 Ų034.9 Ų34.90%019%0.189CC..SBendtrans-93.6-6.8177.100000114.5Q19 E251 R252Q19-G209 PolarHBondContact NE2-O 3.3Å; Q19-G209 VanDerWaalsContact NE2-O 3.09Å; G209-E251 WeakPolarHBondContact CA-OE2 3.25Å; G209-E251 PolarHBondContact N-OE2 3.42Å; G209-R252 WeakPolarHBondContact O-CD 3.2Å; G209-R252 WeakPolarHBondContact O-CG 3.48Å
210H88.6Confident91.9Very high35 Ų3536.9 Ų36.916%0.16220%0.197CC..SBendtrans-147.2166172.367.7-70.4000110.6E251 R252 N341H210-E251 IonicContact CE1-OE1 3.26Å; H210-E251 IonicContact CE1-OE2 3.93Å; H210-E251 IonicContact CG-OE2 3.42Å; H210-E251 PolarHBondContact N-OE2 3.05Å; H210-E251 IonicContact ND1-OE1 3.56Å; H210-E251 IonicContact ND1-OE2 3.36Å; H210-E251 PolarHBondContact ND1-OE2 3.17Å; H210-R252 HydrophobicContact CB-CG 3.75Å; H210-N341 PolarHBondContact CD2-ND2 2.87Å
211Q86.6Confident91.8Very high139 Ų13936 Ų3665%0.6519%0.192SC*.  trans-80.8117.7171.7-70.4-179.7-14.100108.7
212D82.7Confident91.8Very high32 Ų3236 Ų3617%0.17119%0.192CC..  trans-120.9121.3169.3-178.1-28.1000107.3N214 Y215D212-N214 PolarHBondContact O-N 3.21Å; D212-N214 WeakPolarHBondContact OD1-CB 3.48Å; D212-N214 PolarHBondContact OD1-N 3.09Å; D212-N214 PolarHBondContact OD1-ND2 3.3Å; D212-Y215 HydrophobicContact CB-CD2 3.7Å; D212-Y215 HydrophobicContact CB-CE2 4.38Å; D212-Y215 PolarHBondContact O-N 2.89Å; D212-Y215 WeakPolarHBondContact OD2-CD2 3.29Å; D212-Y215 WeakPolarHBondContact OD2-CE2 3.41Å
213P83.5Confident91.7Very high134 Ų13439.3 Ų39.387%0.8722%0.216SC*.THydrogen-bonded Turntrans-56.3-17.5-179.9-25.734.5000115.2
214N79.3Confident91.7Very high129 Ų12941.3 Ų41.369%0.6923%0.227SC*.THydrogen-bonded Turntrans-88.6-4.5179.5-55.9-69.4000113.8D212D212-N214 PolarHBondContact O-N 3.21Å; D212-N214 WeakPolarHBondContact OD1-CB 3.48Å; D212-N214 PolarHBondContact OD1-N 3.09Å; D212-N214 PolarHBondContact OD1-ND2 3.3Å
215Y81.9Confident91.8Very high37 Ų3741.3 Ų41.315%0.14523%0.227CC..SBendtrans-126.6157.2-176.8-61.2-102.8000110.1L131 R172 D212 N294L131-Y215 HydrophobicContact CD1-CE1 3.79Å; L131-Y215 HydrophobicContact CD2-CE1 3.92Å; L131-Y215 WeakPolarHBondContact CD2-OH 3.47Å; L131-Y215 HydrophobicContact CG-CE1 3.78Å; R172-Y215 HydrophobicContact CG-CD1 3.54Å; R172-Y215 HydrophobicContact CG-CE1 3.95Å; R172-Y215 HydrophobicContact CG-CG 4.45Å; R172-Y215 PolarHBondContact NH2-OH 3.18Å; D212-Y215 HydrophobicContact CB-CD2 3.7Å; D212-Y215 HydrophobicContact CB-CE2 4.38Å; D212-Y215 PolarHBondContact O-N 2.89Å; D212-Y215 WeakPolarHBondContact OD2-CD2 3.29Å; D212-Y215 WeakPolarHBondContact OD2-CE2 3.41Å; Y215-N294 PolarHBondContact OH-ND2 3.09Å
216V89.2Confident91.9Very high20 Ų2043.6 Ų43.612%0.12124%0.239CC..  trans-64.7137.1173.265.20000109.9C171 A174 E220 I221C171-V216 WeakPolarHBondContact O-CG1 3.42Å; A174-V216 HydrophobicContact CB-CG2 4.08Å; V216-E220 HydrophobicContact CG2-CB 3.58Å; V216-E220 HydrophobicContact CG2-CG 4.46Å; V216-I221 HydrophobicContact CG1-CD1 3.77Å; V216-I221 HydrophobicContact CG1-CG1 3.83Å; V216-I221 HydrophobicContact CG2-CG1 4.18Å
217S93.6Very high92.2Very high28 Ų2846.5 Ų46.520%0.19626%0.259CS..  trans-72.1161.7179.4650000112E219 E220 I221S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.17Å; S217-E220 WeakPolarHBondContact CB-OE2 3.47Å; S217-E220 PolarHBondContact N-OE2 3.31Å; S217-E220 PolarHBondContact O-N 3.33Å; S217-E220 WeakPolarHBondContact OG-CB 3.26Å; S217-E220 VanDerWaalsContact OG-CD 3.26Å; S217-E220 WeakPolarHBondContact OG-CG 3.41Å; S217-E220 PolarHBondContact OG-N 2.85Å; S217-E220 PolarHBondContact OG-OE2 2.82Å; S217-I221 WeakPolarHBondContact O-CG1 3.36Å; S217-I221 PolarHBondContact O-N 2.88Å; S217-I221 VanDerWaalsContact O-N 3.16Å
218F95.6Very high92.3Very high7 Ų747.6 Ų47.63%0.03126%0.264CS..Hα-helixtrans-63.4-38.3174.1171.1-114.1000111.3L22 W23 H26 L27 Y207 P208 I221 A222 F248L22-F218 HydrophobicContact CD2-CD1 3.73Å; L22-F218 HydrophobicContact CD2-CE1 4.25Å; L22-F218 HydrophobicContact CG-CD1 3.85Å; L22-F218 HydrophobicContact CG-CE1 3.93Å; W23-F218 HydrophobicContact CD2-CZ 4.46Å; W23-F218 AromaticContact CE3-CE2 3.96Å; W23-F218 HydrophobicContact CE3-CE2 3.96Å; W23-F218 AromaticContact CE3-CZ 3.88Å; W23-F218 HydrophobicContact CE3-CZ 3.88Å; W23-F218 HydrophobicContact CZ3-CE2 4.04Å; W23-F218 HydrophobicContact CZ3-CZ 4.38Å; H26-F218 HydrophobicContact CB-CD1 4.48Å; H26-F218 HydrophobicContact CB-CE1 3.73Å; H26-F218 HydrophobicContact CB-CZ 4.24Å; L27-F218 HydrophobicContact CD1-CE2 3.86Å; L27-F218 HydrophobicContact CD1-CZ 3.9Å; L27-F218 HydrophobicContact CG-CZ 4.22Å; Y207-F218 HydrophobicContact CD1-CD2 4.09Å; Y207-F218 AromaticContact CD1-CE2 3.99Å; Y207-F218 HydrophobicContact CD1-CE2 3.99Å; Y207-F218 HydrophobicContact CG-CD2 4.39Å; Y207-F218 HydrophobicContact CG-CE2 4.35Å; P208-F218 HydrophobicContact CG-CB 4.16Å; F218-I221 PolarHBondContact O-N 3.32Å; F218-A222 WeakPolarHBondContact O-CB 3.3Å; F218-A222 PolarHBondContact O-N 2.88Å; F218-F248 HydrophobicContact CB-CE2 4.29Å; F218-F248 AromaticContact CD1-CE2 3.65Å; F218-F248 HydrophobicContact CD1-CE2 3.65Å; F218-F248 HydrophobicContact CD1-CZ 4.2Å; F218-F248 AromaticContact CD2-CD2 3.99Å; F218-F248 HydrophobicContact CD2-CD2 3.99Å; F218-F248 AromaticContact CD2-CE2 3.74Å; F218-F248 HydrophobicContact CD2-CE2 3.74Å; F218-F248 AromaticContact CE1-CE2 3.8Å; F218-F248 HydrophobicContact CE1-CE2 3.8Å; F218-F248 AromaticContact CE1-CZ 3.93Å; F218-F248 HydrophobicContact CE1-CZ 3.93Å; F218-F248 HydrophobicContact CE2-CD2 4.26Å; F218-F248 AromaticContact CE2-CE2 3.9Å; F218-F248 HydrophobicContact CE2-CE2 3.9Å; F218-F248 HydrophobicContact CE2-CZ 4.4Å; F218-F248 HydrophobicContact CG-CD2 4.18Å; F218-F248 AromaticContact CG-CE2 3.6Å; F218-F248 HydrophobicContact CG-CE2 3.6Å; F218-F248 AromaticContact CZ-CE2 3.93Å; F218-F248 HydrophobicContact CZ-CE2 3.93Å; F218-F248 HydrophobicContact CZ-CZ 4.05Å
219E95.8Very high92.6Very high54 Ų5446.7 Ų46.725%0.25226%0.259SS..Hα-helixtrans-64-40.8-179.2-63.188.6156.300111.7H26 S217 A222 S223H26-E219 WeakPolarHBondContact CE1-CG 3.25Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.17Å; E219-A222 PolarHBondContact O-N 3.34Å; E219-S223 WeakPolarHBondContact O-CB 3.31Å; E219-S223 PolarHBondContact O-N 2.8Å
220E95.5Very high92.9Very high108 Ų10852.2 Ų52.251%0.50528%0.284SS..Hα-helixtrans-65.5-46173.4-74.4166.5130.100111.8V216 S217 A222 S223 V224V216-E220 HydrophobicContact CG2-CB 3.58Å; V216-E220 HydrophobicContact CG2-CG 4.46Å; S217-E220 WeakPolarHBondContact CB-OE2 3.47Å; S217-E220 PolarHBondContact N-OE2 3.31Å; S217-E220 PolarHBondContact O-N 3.33Å; S217-E220 WeakPolarHBondContact OG-CB 3.26Å; S217-E220 VanDerWaalsContact OG-CD 3.26Å; S217-E220 WeakPolarHBondContact OG-CG 3.41Å; S217-E220 PolarHBondContact OG-N 2.85Å; S217-E220 PolarHBondContact OG-OE2 2.82Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.75Å; E220-S223 PolarHBondContact O-N 3Å; E220-V224 WeakPolarHBondContact O-CG2 3.12Å; E220-V224 PolarHBondContact O-N 2.93Å; E220-V224 VanDerWaalsContact O-N 3.14Å
221I96.6Very high93.3Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-56.9-47.9174-71.3166.2000110.3A174 Y177 Y207 V216 S217 F218 S223 V224 I225A174-I221 HydrophobicContact CB-CG1 4.03Å; Y177-I221 HydrophobicContact CD2-CG2 3.77Å; Y177-I221 HydrophobicContact CE2-CB 4.5Å; Y177-I221 HydrophobicContact CE2-CD1 4.27Å; Y177-I221 HydrophobicContact CE2-CG1 4.23Å; Y177-I221 HydrophobicContact CE2-CG2 3.47Å; Y177-I221 VanDerWaalsContact CE2-CG2 3.47Å; Y177-I221 HydrophobicContact CG-CG2 4.41Å; Y207-I221 HydrophobicContact CD1-CG2 3.89Å; Y207-I221 HydrophobicContact CE1-CG2 4.01Å; V216-I221 HydrophobicContact CG1-CD1 3.77Å; V216-I221 HydrophobicContact CG1-CG1 3.83Å; V216-I221 HydrophobicContact CG2-CG1 4.18Å; S217-I221 WeakPolarHBondContact O-CG1 3.36Å; S217-I221 PolarHBondContact O-N 2.88Å; S217-I221 VanDerWaalsContact O-N 3.16Å; F218-I221 PolarHBondContact O-N 3.32Å; I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.11Å; I221-V224 PolarHBondContact O-N 2.85Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.31Å; I221-I225 WeakPolarHBondContact O-CG1 3.18Å; I221-I225 PolarHBondContact O-N 2.82Å
222A97.8Very high93.9Very high0 Ų052.2 Ų52.20%029%0.285CS..Hα-helixtrans-64.7-37.8-177.700000112.5H26 L27 F218 E219 E220 I225 N226H26-A222 HydrophobicContact CB-CB 3.72Å; L27-A222 HydrophobicContact CD2-CB 3.84Å; L27-A222 HydrophobicContact CG-CB 3.91Å; F218-A222 WeakPolarHBondContact O-CB 3.3Å; F218-A222 PolarHBondContact O-N 2.88Å; E219-A222 PolarHBondContact O-N 3.34Å; E220-A222 VanDerWaalsContact C-N 3.31Å; E220-A222 PolarHBondContact O-N 2.75Å; A222-I225 PolarHBondContact O-N 2.77Å; A222-N226 WeakPolarHBondContact O-CB 3.5Å; A222-N226 PolarHBondContact O-N 2.67Å; A222-N226 PolarHBondContact O-ND2 3.27Å
223S97.7Very high94.6Very high71 Ų7151 Ų5150%0.49728%0.277SS..Hα-helixtrans-60.3-46.6174.4-175.60000111.9E219 E220 I221 N226 S227E219-S223 WeakPolarHBondContact O-CB 3.31Å; E219-S223 PolarHBondContact O-N 2.8Å; E220-S223 PolarHBondContact O-N 3Å; I221-S223 VanDerWaalsContact C-N 3.34Å; I221-S223 PolarHBondContact O-N 3.11Å; S223-N226 PolarHBondContact O-N 3.06Å; S223-S227 PolarHBondContact O-N 3.14Å; S223-S227 VanDerWaalsContact O-N 3.12Å; S223-S227 PolarHBondContact O-OG 3.45Å
224V97.7Very high95.3Very high41 Ų4146.4 Ų46.425%0.24825%0.248CC..Hα-helixtrans-62.7-45.5176.21740000111.1A174 A178 E220 I221 S227 N228A174-V224 HydrophobicContact CB-CB 4.26Å; A174-V224 HydrophobicContact CB-CG2 3.87Å; A178-V224 HydrophobicContact CB-CG1 3.99Å; E220-V224 WeakPolarHBondContact O-CG2 3.12Å; E220-V224 PolarHBondContact O-N 2.93Å; E220-V224 VanDerWaalsContact O-N 3.14Å; I221-V224 PolarHBondContact O-N 2.85Å; V224-S227 PolarHBondContact O-N 3.06Å; V224-N228 PolarHBondContact O-N 3.06Å; V224-N228 VanDerWaalsContact O-N 3.13Å; V224-N228 PolarHBondContact O-ND2 3.14Å
225I98.3Very high96Very high0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-58.6-53.1177-72.9170.8000110.8L27 Y177 I181 L203 Y207 I221 A222 S227 N228 L229L27-I225 HydrophobicContact CD2-CB 4.08Å; L27-I225 HydrophobicContact CD2-CD1 4.45Å; L27-I225 HydrophobicContact CD2-CG2 3.69Å; Y177-I225 HydrophobicContact CD1-CD1 3.67Å; Y177-I225 HydrophobicContact CD1-CG1 3.98Å; Y177-I225 HydrophobicContact CE1-CD1 3.99Å; Y177-I225 HydrophobicContact CG-CD1 3.97Å; Y177-I225 HydrophobicContact CG-CG1 3.92Å; I181-I225 HydrophobicContact CD1-CG2 4.45Å; L203-I225 HydrophobicContact CD1-CD1 4.49Å; L203-I225 HydrophobicContact CD1-CG2 3.67Å; Y207-I225 HydrophobicContact CE1-CD1 3.78Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.31Å; I221-I225 WeakPolarHBondContact O-CG1 3.18Å; I221-I225 PolarHBondContact O-N 2.82Å; A222-I225 PolarHBondContact O-N 2.77Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 3.25Å; I225-N228 PolarHBondContact O-N 3.21Å; I225-L229 HydrophobicContact CG2-CD1 3.64Å; I225-L229 HydrophobicContact CG2-CG 4Å; I225-L229 WeakPolarHBondContact O-CB 3.38Å; I225-L229 VanDerWaalsContact O-CG 3.3Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 2.67Å
226N98.4Very high96.5Very high49 Ų4949.1 Ų49.126%0.26228%0.276SS..Hα-helixtrans-59.1-41.5-176.9-76.3-35.3000112.2H26 A222 S223 L229 E230H26-N226 PolarHBondContact O-ND2 3.25Å; A222-N226 WeakPolarHBondContact O-CB 3.5Å; A222-N226 PolarHBondContact O-N 2.67Å; A222-N226 PolarHBondContact O-ND2 3.27Å; S223-N226 PolarHBondContact O-N 3.06Å; N226-L229 PolarHBondContact O-N 3.27Å; N226-E230 PolarHBondContact O-N 3.19Å
227S98Very high96.7Very high71 Ų7149.5 Ų49.550%0.49728%0.281SS..Hα-helixtrans-63.5-43.5179.2-54.60000111.4S223 V224 I225 E230 E231S223-S227 PolarHBondContact O-N 3.14Å; S223-S227 VanDerWaalsContact O-N 3.12Å; S223-S227 PolarHBondContact O-OG 3.45Å; V224-S227 PolarHBondContact O-N 3.06Å; I225-S227 VanDerWaalsContact C-N 3.29Å; I225-S227 PolarHBondContact O-N 3.25Å; S227-E230 PolarHBondContact O-N 2.99Å; S227-E231 PolarHBondContact O-N 3Å
228N98.2Very high96.8Very high25 Ų2551 Ų5113%0.13430%0.301CS..Hα-helixtrans-74.2-31.2178.4-78.4-93.9000112.9A178 I181 V224 I225 H232A178-N228 WeakPolarHBondContact CB-ND2 3.41Å; A178-N228 WeakPolarHBondContact CB-OD1 3.3Å; I181-N228 HydrophobicContact CB-CB 4.24Å; I181-N228 HydrophobicContact CD1-CB 3.71Å; I181-N228 HydrophobicContact CG2-CB 4.06Å; V224-N228 PolarHBondContact O-N 3.06Å; V224-N228 VanDerWaalsContact O-N 3.13Å; V224-N228 PolarHBondContact O-ND2 3.14Å; I225-N228 PolarHBondContact O-N 3.21Å; N228-H232 WeakPolarHBondContact O-CB 3.46Å; N228-H232 PolarHBondContact O-CD2 3.42Å; N228-H232 PolarHBondContact O-N 3.1Å
229L98.4Very high96.9Very high0 Ų051.7 Ų51.70%031%0.306CS..Hα-helixtrans-65.7-39.7171.7-73.3179.9000111.1V30 I181 L201 L203 I225 N226 F233 I241V30-L229 HydrophobicContact CG2-CD1 4.02Å; I181-L229 HydrophobicContact CD1-CD2 4.32Å; I181-L229 HydrophobicContact CD1-CG 4.38Å; L201-L229 HydrophobicContact CD2-CD2 3.81Å; L203-L229 HydrophobicContact CD1-CD1 4.43Å; I225-L229 HydrophobicContact CG2-CD1 3.64Å; I225-L229 HydrophobicContact CG2-CG 4Å; I225-L229 WeakPolarHBondContact O-CB 3.38Å; I225-L229 VanDerWaalsContact O-CG 3.3Å; I225-L229 WeakPolarHBondContact O-CG 3.4Å; I225-L229 PolarHBondContact O-N 2.67Å; N226-L229 PolarHBondContact O-N 3.27Å; L229-F233 HydrophobicContact CD2-CB 4.45Å; L229-F233 CarbonylContact O-C 3.56Å; L229-F233 VanDerWaalsContact O-CA 3.24Å; L229-F233 WeakPolarHBondContact O-CA 3.18Å; L229-F233 PolarHBondContact O-N 2.87Å; L229-I241 HydrophobicContact CD1-CG2 4.1Å; L229-I241 HydrophobicContact CD2-CD1 4.13Å; L229-I241 HydrophobicContact CD2-CG1 4.3Å; L229-I241 HydrophobicContact CD2-CG2 4.04Å
230E97.6Very high97.1Very high116 Ų11654.5 Ų54.554%0.54231%0.314SS..Hα-helixtrans-64.8-43.1176.6-166.457.9-152.300111.8R29 N226 S227R29-E230 IonicContact NH1-OE2 2.67Å; R29-E230 PolarHBondContact NH1-OE2 2.89Å; N226-E230 PolarHBondContact O-N 3.19Å; S227-E230 PolarHBondContact O-N 2.99Å
231E97.9Very high97.2Very high140 Ų14049.7 Ų49.765%0.65429%0.292SS*.Hα-helixtrans-67.4-47.8178.9-177.6176.9167.200112.9S227S227-E231 PolarHBondContact O-N 3Å
232H98.4Very high97.3Very high35 Ų3549.7 Ų49.716%0.16229%0.292CS..Hα-helixtrans-98.1-30.8-168.6-66.9-53.2000114I181 R185 N228I181-H232 HydrophobicContact CG2-CB 3.91Å; R185-H232 HydrophobicContact CB-CB 3.95Å; R185-H232 VanDerWaalsContact CD-O 3.31Å; R185-H232 WeakPolarHBondContact CD-O 3.34Å; R185-H232 HydrophobicContact CG-CB 4.11Å; R185-H232 PolarHBondContact NH1-O 3.17Å; N228-H232 WeakPolarHBondContact O-CB 3.46Å; N228-H232 PolarHBondContact O-CD2 3.42Å; N228-H232 PolarHBondContact O-N 3.1Å
233F98.2Very high97.4Very high5 Ų549.7 Ų49.72%0.02229%0.292CS..SBendtrans-135.563.5-174.2-65.7-89.4000110.5R29 I181 A184 R185 L201 L229 V239 I241R29-F233 PolarHBondContact NH2-O 2.89Å; I181-F233 HydrophobicContact CG2-CD2 3.79Å; I181-F233 HydrophobicContact CG2-CE2 3.79Å; A184-F233 HydrophobicContact CB-CE2 4.44Å; A184-F233 HydrophobicContact CB-CZ 4.14Å; R185-F233 HydrophobicContact CB-CE2 3.8Å; R185-F233 HydrophobicContact CB-CZ 3.91Å; L201-F233 HydrophobicContact CD1-CZ 4.38Å; L201-F233 HydrophobicContact CD2-CD2 3.74Å; L201-F233 HydrophobicContact CD2-CE1 4.39Å; L201-F233 HydrophobicContact CD2-CE2 3.62Å; L201-F233 HydrophobicContact CD2-CG 4.2Å; L201-F233 HydrophobicContact CD2-CZ 3.95Å; L229-F233 HydrophobicContact CD2-CB 4.45Å; L229-F233 CarbonylContact O-C 3.56Å; L229-F233 VanDerWaalsContact O-CA 3.24Å; L229-F233 WeakPolarHBondContact O-CA 3.18Å; L229-F233 PolarHBondContact O-N 2.87Å; F233-V239 HydrophobicContact CD1-CB 4.12Å; F233-V239 HydrophobicContact CD1-CG1 3.99Å; F233-V239 HydrophobicContact CD1-CG2 3.93Å; F233-V239 HydrophobicContact CE1-CG1 4.3Å; F233-V239 HydrophobicContact CE1-CG2 4.43Å; F233-I241 HydrophobicContact CB-CD1 4.34Å
234P96.5Very high97.4Very high38 Ų3846.8 Ų46.825%0.24727%0.271CS..  trans-57.1157.7-178.125.8-35.4000111.5D236 A237P234-D236 WeakPolarHBondContact CB-OD1 3.49Å; P234-D236 PolarHBondContact O-N 3.36Å; P234-A237 HydrophobicContact CG-CB 4.21Å; P234-A237 WeakPolarHBondContact O-CB 3.32Å; P234-A237 PolarHBondContact O-N 2.93Å
235A93.8Very high97.4Very high81 Ų8144.9 Ų44.967%0.66926%0.259SS*.G310 helixtrans-58.6-26.7-169.300000114.3
236D94.3Very high97.3Very high143 Ų14345 Ų4577%0.76526%0.261SS*.G310 helixtrans-86-3.2177.565.1-19000114P234 G238P234-D236 WeakPolarHBondContact CB-OD1 3.49Å; P234-D236 PolarHBondContact O-N 3.36Å; D236-G238 PolarHBondContact O-N 3.41Å
237A93.5Very high97.1Very high27 Ų2745 Ų4522%0.22326%0.257CS..G310 helixtrans-68.1-6179.500000114.3R188 P234 V239R188-A237 PolarHBondContact NH2-O 3.21Å; P234-A237 HydrophobicContact CG-CB 4.21Å; P234-A237 WeakPolarHBondContact O-CB 3.32Å; P234-A237 PolarHBondContact O-N 2.93Å; A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 HydrophobicContact CB-CG2 4.23Å; A237-V239 PolarHBondContact O-N 3.34Å
238G94.9Very high97Very high60 Ų6041.7 Ų41.762%0.61923%0.234SC*.  trans68.822.6179.500000114.2D236D236-G238 PolarHBondContact O-N 3.41Å
239V98.2Very high97Very high22 Ų2240.5 Ų40.513%0.13323%0.227CC..PPolyproline II helixtrans-102.6124.6-178.1-173.70000110.3N199 L201 F233 A237 I241N199-V239 WeakPolarHBondContact O-CA 3.42Å; L201-V239 HydrophobicContact CB-CG1 4.05Å; F233-V239 HydrophobicContact CD1-CB 4.12Å; F233-V239 HydrophobicContact CD1-CG1 3.99Å; F233-V239 HydrophobicContact CD1-CG2 3.93Å; F233-V239 HydrophobicContact CE1-CG1 4.3Å; F233-V239 HydrophobicContact CE1-CG2 4.43Å; A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 HydrophobicContact CB-CG2 4.23Å; A237-V239 PolarHBondContact O-N 3.34Å; V239-I241 HydrophobicContact CB-CD1 4.23Å; V239-I241 HydrophobicContact CG1-CD1 3.79Å
240R98.3Very high96.8Very high112 Ų11240.5 Ų40.542%0.42323%0.227SC..EExtended strand (participates in β ladder)trans-78.5121.2171.1-178.2-176.3178.8-175.71.7109.2N54 N199 I200 L201 I242N54-R240 PolarHBondContact ND2-NH2 3.01Å; N199-R240 PolarHBondContact O-N 3.36Å; I200-R240 WeakPolarHBondContact CA-O 3.06Å; L201-R240 PolarHBondContact N-O 3.44Å; R240-I242 HydrophobicContact CG-CG2 4.02Å
241I98.7Very high96.6Very high7 Ų735.7 Ų35.74%0.03621%0.205CC..EExtended strand (participates in β ladder)trans-97.8127.1177.6-40-59.6000109.4V30 Q31 L201 L203 L229 F233 V239V30-I241 HydrophobicContact CB-CG2 4.48Å; V30-I241 HydrophobicContact CG1-CG2 4.24Å; V30-I241 HydrophobicContact CG2-CB 4.41Å; V30-I241 HydrophobicContact CG2-CG2 3.89Å; Q31-I241 PolarHBondContact N-O 3.41Å; L201-I241 HydrophobicContact CB-CD1 3.82Å; L201-I241 HydrophobicContact CD2-CD1 4.12Å; L201-I241 WeakPolarHBondContact O-CA 3.44Å; L203-I241 HydrophobicContact CD1-CG2 3.77Å; L203-I241 HydrophobicContact CG-CG2 4Å; L229-I241 HydrophobicContact CD1-CG2 4.1Å; L229-I241 HydrophobicContact CD2-CD1 4.13Å; L229-I241 HydrophobicContact CD2-CG1 4.3Å; L229-I241 HydrophobicContact CD2-CG2 4.04Å; F233-I241 HydrophobicContact CB-CD1 4.34Å; V239-I241 HydrophobicContact CB-CD1 4.23Å; V239-I241 HydrophobicContact CG1-CD1 3.79Å
242I98.8Very high96.3Very high1 Ų133.7 Ų33.71%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-128.6167.9177.774.1174.9000109.9Q31 F33 I77 L98 L120 I200 L201 D202 L203 R240Q31-I242 HydrophobicContact CB-CG2 4.32Å; Q31-I242 VanDerWaalsContact O-CA 3.31Å; Q31-I242 WeakPolarHBondContact O-CA 3.44Å; F33-I242 HydrophobicContact CD2-CB 3.86Å; F33-I242 HydrophobicContact CD2-CD1 4.24Å; F33-I242 HydrophobicContact CD2-CG2 4.2Å; F33-I242 HydrophobicContact CE2-CB 3.78Å; F33-I242 HydrophobicContact CE2-CD1 4.1Å; F33-I242 HydrophobicContact CE2-CG2 3.58Å; F33-I242 HydrophobicContact CZ-CD1 4.43Å; F33-I242 HydrophobicContact CZ-CG2 4.39Å; I77-I242 HydrophobicContact CD1-CD1 4.28Å; L98-I242 HydrophobicContact CD2-CD1 4.39Å; L120-I242 HydrophobicContact CD1-CD1 4.49Å; I200-I242 HydrophobicContact CG2-CD1 4.14Å; I200-I242 HydrophobicContact CG2-CG1 4.32Å; L201-I242 PolarHBondContact O-N 2.72Å; D202-I242 WeakPolarHBondContact CA-O 3.12Å; D202-I242 HydrophobicContact CB-CD1 3.94Å; D202-I242 HydrophobicContact CB-CG1 3.56Å; L203-I242 PolarHBondContact N-O 3.43Å; R240-I242 HydrophobicContact CG-CG2 4.02Å
243A98.7Very high96.1Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-151.4165.8172.100000110.5W23 V30 Q31 F33 L203 G204 Y207 P245W23-A243 HydrophobicContact CH2-CB 3.63Å; W23-A243 HydrophobicContact CZ2-CB 3.71Å; V30-A243 HydrophobicContact CG1-CB 3.61Å; Q31-A243 PolarHBondContact O-N 3.2Å; Q31-A243 VanDerWaalsContact O-N 3.16Å; F33-A243 WeakPolarHBondContact CA-O 3.42Å; F33-A243 WeakPolarHBondContact CB-O 3.31Å; F33-A243 PolarHBondContact N-O 3.03Å; L203-A243 HydrophobicContact CB-CB 4.19Å; G204-A243 WeakPolarHBondContact O-CB 3.21Å; Y207-A243 HydrophobicContact CE2-CB 4.19Å; Y207-A243 WeakPolarHBondContact OH-CB 3.2Å; A243-P245 WeakPolarHBondContact O-CD 3.37Å
244E98.6Very high95.7Very high10 Ų1031.8 Ų31.85%0.04718%0.183CC..  trans-116.454.8-174.6-55.8179.1159.600113.5F33 D56 A79 D202 G204 G205 G246F33-E244 CarbonylContact O-C 3.26Å; F33-E244 WeakPolarHBondContact O-CA 3.03Å; D56-E244 HydrophobicContact CB-CB 4.32Å; D56-E244 HydrophobicContact CB-CG 4.17Å; A79-E244 WeakPolarHBondContact CB-OE1 3.5Å; D202-E244 VanDerWaalsContact OD2-OE1 3.1Å; G204-E244 PolarHBondContact O-N 3.19Å; G205-E244 WeakPolarHBondContact CA-O 3.43Å; E244-G246 PolarHBondContact O-N 3.07Å
245P97.5Very high95.4Very high0 Ų031.3 Ų31.30%018%0.179CC..  trans-66.1121.1-178.328.1-35.3000111.8W23 P32 Y34 A35 Y207 A243 F248 Y249W23-P245 HydrophobicContact CE3-CB 4.26Å; W23-P245 HydrophobicContact CE3-CG 4.21Å; W23-P245 HydrophobicContact CH2-CB 4.02Å; W23-P245 HydrophobicContact CH2-CG 3.75Å; W23-P245 HydrophobicContact CZ2-CG 4.25Å; W23-P245 HydrophobicContact CZ3-CB 3.63Å; W23-P245 HydrophobicContact CZ3-CG 3.73Å; P32-P245 HydrophobicContact CB-CG 3.84Å; Y34-P245 WeakPolarHBondContact CA-O 3.2Å; Y34-P245 VanDerWaalsContact CD2-O 3.27Å; Y34-P245 WeakPolarHBondContact CD2-O 3.48Å; A35-P245 PolarHBondContact N-O 3.26Å; Y207-P245 HydrophobicContact CD2-CB 3.91Å; Y207-P245 HydrophobicContact CE2-CB 4.29Å; A243-P245 WeakPolarHBondContact O-CD 3.37Å; P245-F248 HydrophobicContact CB-CB 4.04Å; P245-F248 HydrophobicContact CB-CD1 4.42Å; P245-Y249 HydrophobicContact CB-CD2 3.99Å; P245-Y249 HydrophobicContact CB-CE2 4.04Å; P245-Y249 HydrophobicContact CG-CD2 3.9Å; P245-Y249 HydrophobicContact CG-CE2 3.55Å
246G96.4Very high95.1Very high4 Ų427.6 Ų27.64%0.04115%0.148CC..SBendtrans-103.1-79.3169.800000111.6E244 F248 Y249 A250E244-G246 PolarHBondContact O-N 3.07Å; G246-F248 PolarHBondContact O-N 3.17Å; G246-F248 VanDerWaalsContact O-N 3.17Å; G246-Y249 PolarHBondContact O-N 2.83Å; G246-Y249 VanDerWaalsContact O-N 3.09Å; G246-A250 PolarHBondContact O-N 2.86Å
247R94.5Very high94.6Very high48 Ų4824.5 Ų24.518%0.18113%0.126CC..Hα-helixtrans-49.7-43-177.4-180179.9-63.1-79.2-0.3112.9C38 S169 Y249 A250 E251 A344 Y345C38-R247 PolarHBondContact SG-N 2.75Å; S169-R247 PolarHBondContact OG-NE 3.41Å; R247-Y249 VanDerWaalsContact C-N 3.26Å; R247-Y249 PolarHBondContact O-N 2.91Å; R247-A250 PolarHBondContact O-N 2.56Å; R247-A250 VanDerWaalsContact O-N 3.09Å; R247-E251 VanDerWaalsContact CD-OE1 3.31Å; R247-E251 WeakPolarHBondContact CD-OE1 3.43Å; R247-E251 HydrophobicContact CG-CB 3.82Å; R247-E251 VanDerWaalsContact CG-CD 3.5Å; R247-E251 HydrophobicContact CG-CG 4.2Å; R247-E251 WeakPolarHBondContact CG-OE2 3.42Å; R247-E251 IonicContact CZ-OE1 2.71Å; R247-E251 IonicContact NE-OE1 3.64Å; R247-E251 IonicContact NH1-OE1 3.68Å; R247-E251 PolarHBondContact NH1-OE1 3.02Å; R247-E251 VanDerWaalsContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CB 3.47Å; R247-E251 PolarHBondContact O-N 2.89Å; R247-A344 HydrophobicContact CB-CB 3.97Å; R247-A344 HydrophobicContact CG-CB 3.73Å; R247-Y345 HydrophobicContact CB-CE2 4.23Å
248F96.3Very high94.2Very high1 Ų123.4 Ų23.40%0.00412%0.117CC..Hα-helixtrans-43.5-50.5177178.8-97.1000113.2Q19 L22 W23 P208 F218 P245 G246Q19-F248 HydrophobicContact CB-CD1 4.31Å; Q19-F248 HydrophobicContact CB-CE1 3.79Å; Q19-F248 HydrophobicContact CB-CZ 4.13Å; Q19-F248 WeakPolarHBondContact CG-O 3.39Å; Q19-F248 PolarHBondContact NE2-O 2.86Å; Q19-F248 WeakPolarHBondContact O-CE1 3.14Å; Q19-F248 VanDerWaalsContact O-CZ 3.23Å; Q19-F248 WeakPolarHBondContact O-CZ 3.26Å; L22-F248 HydrophobicContact CB-CZ 4.38Å; L22-F248 HydrophobicContact CD2-CE2 4.25Å; L22-F248 HydrophobicContact CD2-CZ 4.3Å; W23-F248 HydrophobicContact CB-CE1 3.87Å; W23-F248 HydrophobicContact CB-CZ 4.16Å; W23-F248 HydrophobicContact CD2-CE1 4.47Å; W23-F248 AromaticContact CE3-CD1 3.89Å; W23-F248 HydrophobicContact CE3-CD1 3.89Å; W23-F248 AromaticContact CE3-CE1 3.76Å; W23-F248 HydrophobicContact CE3-CE1 3.76Å; W23-F248 HydrophobicContact CE3-CG 4.4Å; W23-F248 HydrophobicContact CE3-CZ 4.19Å; W23-F248 HydrophobicContact CZ3-CD1 4.48Å; P208-F248 VanDerWaalsContact O-CD2 3.29Å; P208-F248 WeakPolarHBondContact O-CD2 3.38Å; F218-F248 HydrophobicContact CB-CE2 4.29Å; F218-F248 AromaticContact CD1-CE2 3.65Å; F218-F248 HydrophobicContact CD1-CE2 3.65Å; F218-F248 HydrophobicContact CD1-CZ 4.2Å; F218-F248 AromaticContact CD2-CD2 3.99Å; F218-F248 HydrophobicContact CD2-CD2 3.99Å; F218-F248 AromaticContact CD2-CE2 3.74Å; F218-F248 HydrophobicContact CD2-CE2 3.74Å; F218-F248 AromaticContact CE1-CE2 3.8Å; F218-F248 HydrophobicContact CE1-CE2 3.8Å; F218-F248 AromaticContact CE1-CZ 3.93Å; F218-F248 HydrophobicContact CE1-CZ 3.93Å; F218-F248 HydrophobicContact CE2-CD2 4.26Å; F218-F248 AromaticContact CE2-CE2 3.9Å; F218-F248 HydrophobicContact CE2-CE2 3.9Å; F218-F248 HydrophobicContact CE2-CZ 4.4Å; F218-F248 HydrophobicContact CG-CD2 4.18Å; F218-F248 AromaticContact CG-CE2 3.6Å; F218-F248 HydrophobicContact CG-CE2 3.6Å; F218-F248 AromaticContact CZ-CE2 3.93Å; F218-F248 HydrophobicContact CZ-CE2 3.93Å; F218-F248 HydrophobicContact CZ-CZ 4.05Å; P245-F248 HydrophobicContact CB-CB 4.04Å; P245-F248 HydrophobicContact CB-CD1 4.42Å; G246-F248 PolarHBondContact O-N 3.17Å; G246-F248 VanDerWaalsContact O-N 3.17Å
249Y97.2Very high93.7Very high1 Ų121.6 Ų21.60%0.0049%0.094CC..Hα-helixtrans-79.5-36.4-179.4-79.8-70.1000113.6V16 Q19 H20 P32 Y34 L48 P245 G246 R247V16-Y249 HydrophobicContact CG1-CD1 4.39Å; Q19-Y249 HydrophobicContact CB-CD1 4.1Å; Q19-Y249 HydrophobicContact CB-CE1 4.45Å; H20-Y249 HydrophobicContact CB-CE1 3.79Å; H20-Y249 AromaticContact ND1-CE1 3.76Å; H20-Y249 AromaticContact ND1-CZ 3.72Å; H20-Y249 PolarHBondContact ND1-OH 2.89Å; P32-Y249 HydrophobicContact CB-CE2 4.1Å; Y34-Y249 HydrophobicContact CD2-CD2 4.01Å; Y34-Y249 HydrophobicContact CD2-CG 4.31Å; L48-Y249 HydrophobicContact CD1-CG 4.42Å; L48-Y249 HydrophobicContact CD2-CD1 3.48Å; L48-Y249 VanDerWaalsContact CD2-CD1 3.48Å; L48-Y249 HydrophobicContact CD2-CD2 4.41Å; L48-Y249 HydrophobicContact CD2-CE1 3.58Å; L48-Y249 HydrophobicContact CD2-CG 3.91Å; P245-Y249 HydrophobicContact CB-CD2 3.99Å; P245-Y249 HydrophobicContact CB-CE2 4.04Å; P245-Y249 HydrophobicContact CG-CD2 3.9Å; P245-Y249 HydrophobicContact CG-CE2 3.55Å; G246-Y249 PolarHBondContact O-N 2.83Å; G246-Y249 VanDerWaalsContact O-N 3.09Å; R247-Y249 VanDerWaalsContact C-N 3.26Å; R247-Y249 PolarHBondContact O-N 2.91Å
250A95.1Very high93.2Very high0 Ų020.6 Ų20.60%09%0.088CC..Hα-helixtrans-91.2-36.1-165.600000113.8N39 M44 G246 R247 R252 A253 G343 A344N39-A250 HydrophobicContact CB-CB 3.91Å; M44-A250 HydrophobicContact CE-CB 4.22Å; G246-A250 PolarHBondContact O-N 2.86Å; R247-A250 PolarHBondContact O-N 2.56Å; R247-A250 VanDerWaalsContact O-N 3.09Å; A250-R252 PolarHBondContact O-N 3.13Å; A250-A253 WeakPolarHBondContact O-CB 3.44Å; A250-A253 PolarHBondContact O-N 3.19Å; A250-G343 WeakPolarHBondContact CB-O 3.32Å; A250-G343 VanDerWaalsContact O-CA 3.25Å; A250-G343 WeakPolarHBondContact O-CA 3.33Å; A250-A344 HydrophobicContact CB-CB 4.43Å
251E92.3Very high92.7Very high15 Ų1518.5 Ų18.57%0.078%0.084CC..G310 helixtrans-54.2-60.1-163.6-173.9162.5-122.300113.5G209 H210 R247 A253 N341 M342 G343 A344G209-E251 WeakPolarHBondContact CA-OE2 3.25Å; G209-E251 PolarHBondContact N-OE2 3.42Å; H210-E251 IonicContact CE1-OE1 3.26Å; H210-E251 IonicContact CE1-OE2 3.93Å; H210-E251 IonicContact CG-OE2 3.42Å; H210-E251 PolarHBondContact N-OE2 3.05Å; H210-E251 IonicContact ND1-OE1 3.56Å; H210-E251 IonicContact ND1-OE2 3.36Å; H210-E251 PolarHBondContact ND1-OE2 3.17Å; R247-E251 VanDerWaalsContact CD-OE1 3.31Å; R247-E251 WeakPolarHBondContact CD-OE1 3.43Å; R247-E251 HydrophobicContact CG-CB 3.82Å; R247-E251 VanDerWaalsContact CG-CD 3.5Å; R247-E251 HydrophobicContact CG-CG 4.2Å; R247-E251 WeakPolarHBondContact CG-OE2 3.42Å; R247-E251 IonicContact CZ-OE1 2.71Å; R247-E251 IonicContact NE-OE1 3.64Å; R247-E251 IonicContact NH1-OE1 3.68Å; R247-E251 PolarHBondContact NH1-OE1 3.02Å; R247-E251 VanDerWaalsContact O-CB 3.23Å; R247-E251 WeakPolarHBondContact O-CB 3.47Å; R247-E251 PolarHBondContact O-N 2.89Å; E251-A253 PolarHBondContact O-N 3.12Å; E251-N341 HydrophobicContact CG-CB 3.85Å; E251-N341 CarbonylContact O-C 3.54Å; E251-N341 WeakPolarHBondContact O-CA 3.14Å; E251-M342 PolarHBondContact O-N 3.24Å; E251-G343 PolarHBondContact O-N 3.25Å; E251-A344 HydrophobicContact CB-CB 3.95Å; E251-A344 HydrophobicContact CG-CB 4.43Å
252R92.5Very high92.2Very high97 Ų9719.7 Ų19.737%0.36610%0.095SC..G310 helixtrans-70.3-16.5179.2-71.6178.974.7138.59.9114.2H15 G209 H210 A250 F254 N341H15-R252 HydrophobicContact CB-CB 4.24Å; H15-R252 PolarHBondContact CD2-O 3.3Å; G209-R252 WeakPolarHBondContact O-CD 3.2Å; G209-R252 WeakPolarHBondContact O-CG 3.48Å; H210-R252 HydrophobicContact CB-CG 3.75Å; A250-R252 PolarHBondContact O-N 3.13Å; R252-F254 PolarHBondContact O-N 2.89Å; R252-N341 WeakPolarHBondContact CG-OD1 3.4Å
253A92.8Very high91.7Very high1 Ų123.3 Ų23.31%0.00811%0.109CC..G310 helixtrans-71.6-12.4-172.200000112.7A11 N12 V16 M44 A250 E251A11-A253 CarbonylContact C-O 3.58Å; A11-A253 WeakPolarHBondContact CA-O 3.45Å; N12-A253 PolarHBondContact N-O 3.35Å; V16-A253 HydrophobicContact CG2-CB 3.68Å; M44-A253 HydrophobicContact SD-CB 4.22Å; A250-A253 WeakPolarHBondContact O-CB 3.44Å; A250-A253 PolarHBondContact O-N 3.19Å; E251-A253 PolarHBondContact O-N 3.12Å
254F91.6Very high91.2Very high0 Ų026.4 Ų26.40%013%0.127CC..EExtended strand (participates in β ladder)trans-130.9135.6-177.5-64.4-114.2000112V10 A11 N39 D41 M43 M44 R252 M342 L347 R361V10-F254 WeakPolarHBondContact O-CA 3.12Å; A11-F254 HydrophobicContact CB-CD1 3.87Å; A11-F254 HydrophobicContact CB-CE1 3.74Å; A11-F254 HydrophobicContact CB-CE2 4.43Å; A11-F254 HydrophobicContact CB-CG 4.32Å; A11-F254 HydrophobicContact CB-CZ 4Å; N39-F254 WeakPolarHBondContact ND2-CE2 3.38Å; N39-F254 VanDerWaalsContact ND2-CZ 3.31Å; N39-F254 WeakPolarHBondContact ND2-CZ 3.47Å; D41-F254 HydrophobicContact CB-CZ 4.37Å; M43-F254 HydrophobicContact CE-CE2 4.43Å; M43-F254 HydrophobicContact CE-CZ 3.9Å; M44-F254 HydrophobicContact CG-CE2 3.81Å; M44-F254 HydrophobicContact CG-CZ 3.92Å; M44-F254 HydrophobicContact SD-CE2 3.73Å; M44-F254 HydrophobicContact SD-CZ 4.33Å; R252-F254 PolarHBondContact O-N 2.89Å; F254-M342 PolarHBondContact O-N 3.25Å; F254-L347 HydrophobicContact CD1-CD1 4.03Å; F254-L347 HydrophobicContact CE1-CD1 3.93Å; F254-R361 VanDerWaalsContact CE1-CD 3.43Å; F254-R361 HydrophobicContact CE1-CG 4.07Å
255T89.2Confident90.8Very high27 Ų2728.8 Ų28.817%0.16615%0.146CC..EExtended strand (participates in β ladder)trans-121.1129.8172.4-53.50000108.5C9 V10 Y257 V338 F339 E340C9-T255 CarbonylContact C-O 3.44Å; C9-T255 WeakPolarHBondContact CA-O 3.36Å; V10-T255 PolarHBondContact N-O 3Å; V10-T255 PolarHBondContact O-N 2.9Å; T255-Y257 HydrophobicContact CG2-CD2 4.26Å; T255-Y257 HydrophobicContact CG2-CE2 3.6Å; T255-V338 HydrophobicContact CG2-CG1 3.44Å; T255-V338 VanDerWaalsContact CG2-CG1 3.44Å; T255-F339 WeakPolarHBondContact CA-O 3.2Å; T255-F339 WeakPolarHBondContact CG2-O 3.48Å; T255-E340 HydrophobicContact CG2-CG 4.2Å
256L86.6Confident90.2Very high4 Ų429.2 Ų29.22%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-98.4129.5178.3172.464.1000109.7A7 C258 F290 V338 F339 M342 L359A7-L256 HydrophobicContact CB-CD1 4.25Å; L256-C258 VanDerWaalsContact CG-SG 3.56Å; L256-F290 HydrophobicContact CD2-CE2 3.87Å; L256-V338 WeakPolarHBondContact O-CA 3.22Å; L256-F339 HydrophobicContact CB-CB 4.18Å; L256-F339 HydrophobicContact CD2-CD2 4.27Å; L256-F339 HydrophobicContact CG-CD2 4.37Å; L256-F339 PolarHBondContact N-O 2.78Å; L256-F339 PolarHBondContact O-N 2.96Å; L256-M342 HydrophobicContact CB-CB 4.09Å; L256-M342 HydrophobicContact CB-CG 4Å; L256-M342 HydrophobicContact CD2-CE 3.84Å; L256-L359 HydrophobicContact CD1-CD1 3.55Å; L256-L359 HydrophobicContact CD1-CD2 3.76Å; L256-L359 HydrophobicContact CD1-CG 4.3Å; L256-L359 HydrophobicContact CD2-CD1 4.43Å
257Y85.8Confident89.5Confident78 Ų7832.3 Ų32.331%0.30617%0.167SC..EExtended strand (participates in β ladder)trans-111.8119.1172.8-62.4-104.1000107.8A7 L8 V10 T255 L337 V338A7-Y257 WeakPolarHBondContact CA-O 3.42Å; A7-Y257 WeakPolarHBondContact CB-O 3.4Å; L8-Y257 HydrophobicContact CD2-CD2 4.45Å; L8-Y257 PolarHBondContact N-O 3.18Å; L8-Y257 PolarHBondContact O-N 2.66Å; V10-Y257 HydrophobicContact CB-CD2 4.5Å; V10-Y257 HydrophobicContact CB-CE2 3.98Å; V10-Y257 HydrophobicContact CG2-CD2 3.82Å; V10-Y257 HydrophobicContact CG2-CE2 3.56Å; T255-Y257 HydrophobicContact CG2-CD2 4.26Å; T255-Y257 HydrophobicContact CG2-CE2 3.6Å; Y257-L337 WeakPolarHBondContact CA-O 3.41Å; Y257-V338 HydrophobicContact CD1-CB 4.42Å; Y257-V338 HydrophobicContact CD1-CG1 4.11Å; Y257-V338 HydrophobicContact CD1-CG2 3.62Å; Y257-V338 HydrophobicContact CE1-CB 4.42Å; Y257-V338 HydrophobicContact CE1-CG1 3.81Å; Y257-V338 HydrophobicContact CE1-CG2 3.7Å
258C84.2Confident88.8Confident3 Ų330.1 Ų30.12%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-114.3136179.3-670000109.8L256 L336 L337 F339L256-C258 VanDerWaalsContact CG-SG 3.56Å; C258-L336 CarbonylContact O-C 3.53Å; C258-L336 WeakPolarHBondContact O-CA 3.29Å; C258-L337 HydrophobicContact CB-CB 4.34Å; C258-L337 PolarHBondContact N-O 2.79Å; C258-L337 PolarHBondContact O-N 3.35Å; C258-F339 HydrophobicContact CB-CE2 4.18Å
259T84.1Confident88Confident22 Ų2232.9 Ų32.914%0.13518%0.179CC..EExtended strand (participates in β ladder)trans-85.5136.3171.7-52.40000109.8I261 R285 D335T259-I261 PolarHBondContact O-N 3.27Å; T259-R285 PolarHBondContact O-N 3.32Å; T259-D335 WeakPolarHBondContact CA-O 3.35Å
260V87Confident87.1Confident1 Ų141.9 Ų41.91%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-68.4115167178.30000108.1F282 F283 L331 E333 G334 D335 L337V260-F282 HydrophobicContact CG1-CD1 4.22Å; V260-F283 CarbonylContact C-O 3.49Å; V260-F283 WeakPolarHBondContact CA-O 3.38Å; V260-L331 HydrophobicContact CG2-CB 4.41Å; V260-L331 HydrophobicContact CG2-CD1 4.19Å; V260-E333 WeakPolarHBondContact O-CA 3.47Å; V260-G334 PolarHBondContact O-N 3.06Å; V260-D335 HydrophobicContact CG2-CB 4.4Å; V260-D335 PolarHBondContact N-O 3.05Å; V260-L337 HydrophobicContact CG2-CD1 4.1Å; V260-L337 HydrophobicContact CG2-CG 4Å
261I88.2Confident86.2Confident68 Ų6842.9 Ų42.935%0.34922%0.218SC..EExtended strand (participates in β ladder)trans-99.9-18-177.557.3163.7000113.5T259 F283 R285 P314T259-I261 PolarHBondContact O-N 3.27Å; I261-F283 HydrophobicContact CG1-CB 4.01Å; I261-F283 WeakPolarHBondContact CG1-O 3.18Å; I261-F283 PolarHBondContact N-O 3.21Å; I261-R285 HydrophobicContact CD1-CB 4.33Å; I261-R285 HydrophobicContact CG2-CB 3.87Å; I261-P314 HydrophobicContact CD1-CB 4.11Å
262A88.6Confident85.3Confident32 Ų3243.9 Ų43.926%0.26423%0.225SC..EExtended strand (participates in β ladder)trans-157.6155.7173.500000109.8F283A262-F283 HydrophobicContact CB-CB 4.08Å; A262-F283 HydrophobicContact CB-CD2 3.86Å; A262-F283 HydrophobicContact CB-CG 4.23Å; A262-F283 PolarHBondContact O-N 2.8Å
263R88.8Confident84.3Confident78 Ų7847.9 Ų47.929%0.29425%0.245SC..EExtended strand (participates in β ladder)trans-139.1152.9169.971.2-179.6-174.8101.5-11.2112.1L281 F282 E330 L331 E332R263-L281 VanDerWaalsContact CA-O 3.27Å; R263-L281 WeakPolarHBondContact CA-O 3.49Å; R263-F282 HydrophobicContact CB-CD1 3.99Å; R263-F282 HydrophobicContact CB-CE1 4.25Å; R263-E330 IonicContact CZ-OE1 3.97Å; R263-E330 IonicContact NH1-OE1 3.25Å; R263-E330 PolarHBondContact NH1-OE1 2.82Å; R263-L331 WeakPolarHBondContact CD-O 3.5Å; R263-E332 IonicContact CZ-OE1 3.52Å; R263-E332 IonicContact CZ-OE2 3.19Å; R263-E332 IonicContact NE-OE1 3.78Å; R263-E332 IonicContact NE-OE2 2.76Å; R263-E332 PolarHBondContact NE-OE2 2.63Å; R263-E332 VanDerWaalsContact NH2-CD 3.27Å; R263-E332 IonicContact NH2-OE1 2.9Å; R263-E332 PolarHBondContact NH2-OE1 2.89Å; R263-E332 IonicContact NH2-OE2 2.85Å; R263-E332 PolarHBondContact NH2-OE2 2.88Å
264T88.7Confident82.4Confident64 Ų6454.6 Ų54.639%0.39328%0.281SS..EExtended strand (participates in β ladder)trans-146.5151.3167.8-170.80000111.9V266 H280 L281 F283T264-V266 HydrophobicContact CG2-CG1 4.31Å; T264-H280 WeakPolarHBondContact O-CA 2.96Å; T264-L281 HydrophobicContact CG2-CB 3.82Å; T264-L281 HydrophobicContact CG2-CD1 3.72Å; T264-L281 HydrophobicContact CG2-CG 3.94Å; T264-L281 PolarHBondContact N-O 2.79Å; T264-L281 PolarHBondContact O-N 3.33Å; T264-F283 HydrophobicContact CG2-CE2 4.35Å
265S88.3Confident80.3Confident61 Ų6156 Ų5643%0.42730%0.295SS..EExtended strand (participates in β ladder)trans-97128.4176.9-64.50000109.8S279 H280S265-S279 CarbonylContact C-O 3.56Å; S265-S279 WeakPolarHBondContact CA-O 3.3Å; S265-H280 PolarHBondContact OG-CE1 3.49Å; S265-H280 VanDerWaalsContact OG-CE1 3.26Å; S265-H280 PolarHBondContact OG-ND1 3.09Å
266V85.5Confident77.9Confident9 Ų965.3 Ų65.36%0.05533%0.334CS..EExtended strand (participates in β ladder)trans-128.2158.2180-64.80000111T264 A268 R270 I271 S279 L281T264-V266 HydrophobicContact CG2-CG1 4.31Å; V266-A268 PolarHBondContact O-N 2.9Å; V266-R270 HydrophobicContact CB-CB 4.37Å; V266-R270 HydrophobicContact CB-CG 4.45Å; V266-R270 HydrophobicContact CG2-CB 4.15Å; V266-I271 HydrophobicContact CG2-CD1 4.28Å; V266-I271 HydrophobicContact CG2-CG1 4.24Å; V266-S279 PolarHBondContact N-O 3.07Å; V266-S279 PolarHBondContact O-N 3.24Å; V266-L281 HydrophobicContact CG1-CD1 3.82Å; V266-L281 HydrophobicContact CG1-CG 4.03Å; V266-L281 HydrophobicContact CG2-CD2 3.97Å; V266-L281 HydrophobicContact CG2-CG 4.02Å
267P83.1Confident76.2Confident69 Ų6968 Ų6845%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-57.5138.5165.2-22.233.6000110.7S269 R270 A277P267-S269 PolarHBondContact O-N 2.98Å; P267-S269 VanDerWaalsContact O-N 3.13Å; P267-R270 WeakPolarHBondContact O-CB 3.5Å; P267-R270 PolarHBondContact O-N 2.87Å; P267-A277 CarbonylContact C-O 3.54Å
268A78Confident74.5Confident2 Ų269.3 Ų69.32%0.01737%0.368CS..THydrogen-bonded Turntrans-58.1-30.1-176.900000112.5V266 R270 I271 T272 A277 S279V266-A268 PolarHBondContact O-N 2.9Å; A268-R270 PolarHBondContact O-N 2.99Å; A268-I271 PolarHBondContact O-N 3.02Å; A268-T272 PolarHBondContact O-N 3.4Å; A268-T272 PolarHBondContact O-OG1 3.27Å; A268-A277 HydrophobicContact CB-CB 4.13Å; A268-A277 WeakPolarHBondContact CB-O 3.48Å; A268-A277 PolarHBondContact N-O 3.25Å; A268-S279 WeakPolarHBondContact CA-OG 3.4Å; A268-S279 WeakPolarHBondContact CB-OG 3.33Å
269S80Confident73.1Confident59 Ų5969.2 Ų69.241%0.41337%0.367SS..Hα-helixtrans-54.1-23.2171.957.90000114.2P267 I271 K273 G275P267-S269 PolarHBondContact O-N 2.98Å; P267-S269 VanDerWaalsContact O-N 3.13Å; S269-I271 VanDerWaalsContact C-N 3.34Å; S269-K273 VanDerWaalsContact O-CA 3.27Å; S269-K273 WeakPolarHBondContact O-CA 3.39Å; S269-K273 PolarHBondContact O-N 3.48Å; S269-G275 WeakPolarHBondContact CB-O 3.45Å; S269-G275 PolarHBondContact N-O 3.04Å; S269-G275 VanDerWaalsContact N-O 3.1Å
270R79.4Confident71.7Confident190 Ų19068.4 Ų68.472%0.71736%0.362SS*.Hα-helixtrans-72.8-23.3173.3-67.2-158-179.9-175.6-1.9113.8V266 P267 A268V266-R270 HydrophobicContact CB-CB 4.37Å; V266-R270 HydrophobicContact CB-CG 4.45Å; V266-R270 HydrophobicContact CG2-CB 4.15Å; P267-R270 WeakPolarHBondContact O-CB 3.5Å; P267-R270 PolarHBondContact O-N 2.87Å; A268-R270 PolarHBondContact O-N 2.99Å
271I75.1Confident70.1Confident20 Ų2069.5 Ų69.510%0.10337%0.368CS..Hα-helixtrans-107.5-56.5-178.1-54.5-169.1000110.6V266 A268 S269 K273 L281 C325V266-I271 HydrophobicContact CG2-CD1 4.28Å; V266-I271 HydrophobicContact CG2-CG1 4.24Å; A268-I271 PolarHBondContact O-N 3.02Å; S269-I271 VanDerWaalsContact C-N 3.34Å; I271-K273 VanDerWaalsContact C-N 3.28Å; I271-K273 PolarHBondContact O-N 2.78Å; I271-L281 HydrophobicContact CD1-CD2 3.68Å; I271-L281 HydrophobicContact CG1-CD2 4.01Å; I271-C325 HydrophobicContact CG2-CB 4.02Å
272T73.4Confident68.7Low37 Ų3766.2 Ų66.223%0.22735%0.351CS..Hα-helixtrans-81.9-7.6-174.962.50000113.1A268 N274 W308A268-T272 PolarHBondContact O-N 3.4Å; A268-T272 PolarHBondContact O-OG1 3.27Å; T272-N274 PolarHBondContact O-N 3.1Å; T272-N274 VanDerWaalsContact OG1-C 3.25Å; T272-N274 PolarHBondContact OG1-N 2.58Å; T272-N274 PolarHBondContact OG1-O 2.89Å; T272-W308 HydrophobicContact CG2-CB 3.8Å; T272-W308 HydrophobicContact CG2-CD2 3.9Å; T272-W308 HydrophobicContact CG2-CE3 4.5Å; T272-W308 HydrophobicContact CG2-CG 3.57Å
273K70.9Confident67.2Low180 Ų18067.8 Ų67.878%0.78335%0.352SS*.SBendtrans58.4-3.6-169-60.3-179.6179.5176.60115S269 I271S269-K273 VanDerWaalsContact O-CA 3.27Å; S269-K273 WeakPolarHBondContact O-CA 3.39Å; S269-K273 PolarHBondContact O-N 3.48Å; I271-K273 VanDerWaalsContact C-N 3.28Å; I271-K273 PolarHBondContact O-N 2.78Å
274N53.5Low65.5Low142 Ų14264.2 Ų64.276%0.75934%0.34SS*.SBendtrans-147.7105.2179.5-71.9-37.7000108.9T272T272-N274 PolarHBondContact O-N 3.1Å; T272-N274 VanDerWaalsContact OG1-C 3.25Å; T272-N274 PolarHBondContact OG1-N 2.58Å; T272-N274 PolarHBondContact OG1-O 2.89Å
275G48.2Very low63.8Low29 Ų2964.9 Ų64.930%0.29934%0.335SS..  trans160.3146.9175.200000115.1S269S269-G275 WeakPolarHBondContact CB-O 3.45Å; S269-G275 PolarHBondContact N-O 3.04Å; S269-G275 VanDerWaalsContact N-O 3.1Å
276F38.1Very low62.4Low223 Ų22362.5 Ų62.598%0.97832%0.318SS*.SBendtrans-105.43.3178.2-62.5-83.4000113.6
277A50.9Low60.3Low61 Ų6162.4 Ų62.450%0.50432%0.318SS..SBendtrans-79.9171.5-179.800000112.2P267 A268P267-A277 CarbonylContact C-O 3.54Å; A268-A277 HydrophobicContact CB-CB 4.13Å; A268-A277 WeakPolarHBondContact CB-O 3.48Å; A268-A277 PolarHBondContact N-O 3.25Å
278I50.9Low58.4Low105 Ų10559.2 Ų59.254%0.53830%0.298SS..EExtended strand (participates in β ladder)trans-85141.5169.3-62.4173.8000109
279S54.8Low56.8Low1 Ų163.5 Ų63.51%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-131.5154.5179.2-88.70000109.9S265 V266 A268 W308S265-S279 CarbonylContact C-O 3.56Å; S265-S279 WeakPolarHBondContact CA-O 3.3Å; V266-S279 PolarHBondContact N-O 3.07Å; V266-S279 PolarHBondContact O-N 3.24Å; A268-S279 WeakPolarHBondContact CA-OG 3.4Å; A268-S279 WeakPolarHBondContact CB-OG 3.33Å; S279-W308 WeakPolarHBondContact CA-O 3.11Å; S279-W308 WeakPolarHBondContact CB-O 3.34Å; S279-W308 WeakPolarHBondContact OG-CB 3.44Å; S279-W308 PolarHBondContact OG-O 2.84Å
280H54.6Low55.4Low5 Ų562.5 Ų62.52%0.02330%0.302CS..EExtended strand (participates in β ladder)trans-112.4135.9-178-61.7-73.4000111.9T264 S265 F282 Y307 W308 S309 S310 E330T264-H280 WeakPolarHBondContact O-CA 2.96Å; S265-H280 PolarHBondContact OG-CE1 3.49Å; S265-H280 VanDerWaalsContact OG-CE1 3.26Å; S265-H280 PolarHBondContact OG-ND1 3.09Å; H280-F282 HydrophobicContact CB-CE1 3.94Å; H280-F282 HydrophobicContact CB-CE2 3.92Å; H280-F282 HydrophobicContact CB-CZ 3.54Å; H280-Y307 AromaticContact CD2-CD2 3.85Å; H280-Y307 AromaticContact CD2-CG 3.73Å; H280-Y307 AromaticContact NE2-CD2 3.81Å; H280-Y307 AromaticContact NE2-CG 3.81Å; H280-W308 PolarHBondContact N-O 2.78Å; H280-S309 CarbonylContact O-C 3.56Å; H280-S309 WeakPolarHBondContact O-CA 2.99Å; H280-S309 WeakPolarHBondContact O-CB 3.35Å; H280-S310 PolarHBondContact O-N 2.84Å; H280-E330 IonicContact CE1-OE1 3.58Å; H280-E330 IonicContact NE2-OE1 3.98Å
281L53.7Low53.8Low24 Ų2462.4 Ų62.413%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-98.3123.2164.6-48.5180000107.1R263 T264 V266 I271 F283 S310R263-L281 VanDerWaalsContact CA-O 3.27Å; R263-L281 WeakPolarHBondContact CA-O 3.49Å; T264-L281 HydrophobicContact CG2-CB 3.82Å; T264-L281 HydrophobicContact CG2-CD1 3.72Å; T264-L281 HydrophobicContact CG2-CG 3.94Å; T264-L281 PolarHBondContact N-O 2.79Å; T264-L281 PolarHBondContact O-N 3.33Å; V266-L281 HydrophobicContact CG1-CD1 3.82Å; V266-L281 HydrophobicContact CG1-CG 4.03Å; V266-L281 HydrophobicContact CG2-CD2 3.97Å; V266-L281 HydrophobicContact CG2-CG 4.02Å; I271-L281 HydrophobicContact CD1-CD2 3.68Å; I271-L281 HydrophobicContact CG1-CD2 4.01Å; L281-F283 HydrophobicContact CB-CE2 4.1Å; L281-F283 HydrophobicContact CB-CZ 4.43Å; L281-S310 WeakPolarHBondContact CD2-OG 3.45Å
282F57.8Low52.5Low0 Ų063.3 Ų63.30%031%0.314CS..EExtended strand (participates in β ladder)trans-105.8136.4172.4-58.4-62.9000109.3V260 R263 H280 S310 V311 W312 M328 L331V260-F282 HydrophobicContact CG1-CD1 4.22Å; R263-F282 HydrophobicContact CB-CD1 3.99Å; R263-F282 HydrophobicContact CB-CE1 4.25Å; H280-F282 HydrophobicContact CB-CE1 3.94Å; H280-F282 HydrophobicContact CB-CE2 3.92Å; H280-F282 HydrophobicContact CB-CZ 3.54Å; F282-S310 PolarHBondContact N-O 3.33Å; F282-V311 HydrophobicContact CB-CG2 4.48Å; F282-V311 CarbonylContact O-C 3.5Å; F282-V311 WeakPolarHBondContact O-CA 3.2Å; F282-W312 PolarHBondContact O-N 3.17Å; F282-M328 HydrophobicContact CD2-CE 3.78Å; F282-M328 HydrophobicContact CD2-SD 4.2Å; F282-M328 HydrophobicContact CE2-CB 4.37Å; F282-M328 HydrophobicContact CE2-CE 3.91Å; F282-M328 HydrophobicContact CE2-SD 4.27Å; F282-L331 HydrophobicContact CD1-CB 4Å; F282-L331 HydrophobicContact CD1-CD1 4.41Å; F282-L331 HydrophobicContact CD2-CD1 4.14Å; F282-L331 HydrophobicContact CE1-CB 3.53Å; F282-L331 HydrophobicContact CE1-CD1 4.37Å; F282-L331 HydrophobicContact CE1-CG 4.16Å; F282-L331 WeakPolarHBondContact CE1-O 3.41Å; F282-L331 HydrophobicContact CE2-CD1 4.05Å; F282-L331 HydrophobicContact CE2-CG 4.26Å; F282-L331 HydrophobicContact CG-CD1 4.31Å; F282-L331 HydrophobicContact CZ-CB 3.8Å; F282-L331 HydrophobicContact CZ-CD1 4.17Å; F282-L331 HydrophobicContact CZ-CG 3.93Å
283F57.5Low51.1Low64 Ų6466.6 Ų66.628%0.28133%0.33SS..EExtended strand (participates in β ladder)trans-107.8116.4174.4-61.8-94.6000107.6V260 I261 A262 T264 L281 W312V260-F283 CarbonylContact C-O 3.49Å; V260-F283 WeakPolarHBondContact CA-O 3.38Å; I261-F283 HydrophobicContact CG1-CB 4.01Å; I261-F283 WeakPolarHBondContact CG1-O 3.18Å; I261-F283 PolarHBondContact N-O 3.21Å; A262-F283 HydrophobicContact CB-CB 4.08Å; A262-F283 HydrophobicContact CB-CD2 3.86Å; A262-F283 HydrophobicContact CB-CG 4.23Å; A262-F283 PolarHBondContact O-N 2.8Å; T264-F283 HydrophobicContact CG2-CE2 4.35Å; L281-F283 HydrophobicContact CB-CE2 4.1Å; L281-F283 HydrophobicContact CB-CZ 4.43Å; F283-W312 CarbonylContact C-O 3.59Å; F283-W312 WeakPolarHBondContact CA-O 3.41Å; F283-W312 HydrophobicContact CD1-CB 3.63Å; F283-W312 HydrophobicContact CD1-CG 4.32Å; F283-W312 HydrophobicContact CE1-CB 3.8Å; F283-W312 HydrophobicContact CE1-CG 4.03Å; F283-W312 HydrophobicContact CG-CB 4.38Å
284G53.3Low49.9Very low4 Ų462 Ų624%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-99.3140.317500000109.8D286 W312 G313 P314G284-D286 PolarHBondContact O-N 2.89Å; G284-W312 PolarHBondContact N-O 2.83Å; G284-G313 CarbonylContact O-C 3.57Å; G284-G313 WeakPolarHBondContact O-CA 3.33Å; G284-P314 WeakPolarHBondContact O-CD 3.29Å
285R53.7Low50Low77 Ų7757.3 Ų57.329%0.29129%0.288SS..  trans-81.688.7169.9-170.8-173-173.3178.55109.6D5 A7 T259 I261D5-R285 WeakPolarHBondContact O-CD 3.43Å; D5-R285 PolarHBondContact O-NH1 3.07Å; A7-R285 WeakPolarHBondContact CB-O 3.48Å; T259-R285 PolarHBondContact O-N 3.32Å; I261-R285 HydrophobicContact CD1-CB 4.33Å; I261-R285 HydrophobicContact CG2-CB 3.87Å
286D57.5Low50.3Low12 Ų1259.1 Ų59.16%0.06429%0.291CS..  trans-91136.9163.759.715.2000110.4G284 A288 F290 P314 V322G284-D286 PolarHBondContact O-N 2.89Å; D286-A288 PolarHBondContact O-N 3.09Å; D286-F290 HydrophobicContact CB-CE2 4.36Å; D286-P314 WeakPolarHBondContact O-CG 3.2Å; D286-P314 WeakPolarHBondContact OD1-CD 3.42Å; D286-V322 WeakPolarHBondContact OD2-CG2 3.39Å
287G42.7Very low51.3Low6 Ų650.3 Ų50.36%0.06225%0.253CS..SBendtrans-81.515.6-178.400000113.3K357G287-K357 WeakPolarHBondContact CA-O 3.23Å
288A41.7Very low51.5Low3 Ų349.6 Ų49.63%0.02525%0.245CC..SBendtrans-169.2126.2-167.100000111.2D286 F290D286-A288 PolarHBondContact O-N 3.09Å; A288-F290 HydrophobicContact CB-CD1 4.38Å; A288-F290 HydrophobicContact CB-CE1 3.74Å; A288-F290 HydrophobicContact CB-CE2 3.95Å; A288-F290 HydrophobicContact CB-CZ 3.53Å; A288-F290 WeakPolarHBondContact O-CD2 3.39Å; A288-F290 WeakPolarHBondContact O-CE2 3.48Å; A288-F290 PolarHBondContact O-N 2.73Å
289R45.5Very low51.9Low91 Ų9146.3 Ų46.334%0.34323%0.228SC..  trans-57.1122.5161.1-82.8-173.3166.7-168.3-2.8109.7D317R289-D317 IonicContact CZ-OD2 2.6Å; R289-D317 IonicContact NH1-OD2 3.99Å; R289-D317 IonicContact NH2-OD1 2.69Å; R289-D317 IonicContact NH2-OD2 3.83Å; R289-D317 PolarHBondContact NH2-OD2 3.2Å
290F50.2Low51.9Low39 Ų3954.3 Ų54.317%0.17127%0.266CS..  trans-112.1117.9171.3-64.9-58.3000108.5L256 D286 A288 I292 M342 T346 L359L256-F290 HydrophobicContact CD2-CE2 3.87Å; D286-F290 HydrophobicContact CB-CE2 4.36Å; A288-F290 HydrophobicContact CB-CD1 4.38Å; A288-F290 HydrophobicContact CB-CE1 3.74Å; A288-F290 HydrophobicContact CB-CE2 3.95Å; A288-F290 HydrophobicContact CB-CZ 3.53Å; A288-F290 WeakPolarHBondContact O-CD2 3.39Å; A288-F290 WeakPolarHBondContact O-CE2 3.48Å; A288-F290 PolarHBondContact O-N 2.73Å; F290-I292 VanDerWaalsContact C-N 3.33Å; F290-I292 HydrophobicContact CB-CB 4.46Å; F290-I292 HydrophobicContact CB-CD1 3.51Å; F290-I292 HydrophobicContact CB-CG1 3.79Å; F290-I292 HydrophobicContact CD1-CD1 3.81Å; F290-I292 HydrophobicContact CG-CD1 3.7Å; F290-I292 HydrophobicContact CG-CG1 4.44Å; F290-I292 PolarHBondContact O-N 3.33Å; F290-M342 HydrophobicContact CD1-CE 4.48Å; F290-M342 HydrophobicContact CD2-CE 3.85Å; F290-M342 HydrophobicContact CE2-CE 3.9Å; F290-M342 HydrophobicContact CG-CE 4.14Å; F290-M342 HydrophobicContact CZ-CE 4.24Å; F290-T346 HydrophobicContact CD1-CG2 4.37Å; F290-T346 VanDerWaalsContact CE1-CA 3.48Å; F290-T346 VanDerWaalsContact CE1-CB 3.48Å; F290-T346 HydrophobicContact CE1-CG2 4.4Å; F290-L359 HydrophobicContact CE2-CD1 4.4Å; F290-L359 HydrophobicContact CZ-CD1 3.97Å
291H45.4Very low51.9Low187 Ų18762.6 Ų62.687%0.86630%0.304SS*.  trans-90.882.9159.4-149.374.7000106
292I48.2Very low52.2Low39 Ų3966.3 Ų66.320%0.232%0.319CS..  trans-116110179.8-64.6166.2000107.6F290 I295 M342 T346F290-I292 VanDerWaalsContact C-N 3.33Å; F290-I292 HydrophobicContact CB-CB 4.46Å; F290-I292 HydrophobicContact CB-CD1 3.51Å; F290-I292 HydrophobicContact CB-CG1 3.79Å; F290-I292 HydrophobicContact CD1-CD1 3.81Å; F290-I292 HydrophobicContact CG-CD1 3.7Å; F290-I292 HydrophobicContact CG-CG1 4.44Å; F290-I292 PolarHBondContact O-N 3.33Å; I292-I295 HydrophobicContact CB-CG1 4.11Å; I292-I295 HydrophobicContact CG2-CG1 4.02Å; I292-M342 HydrophobicContact CD1-CE 3.45Å; I292-M342 VanDerWaalsContact CD1-CE 3.45Å; I292-M342 HydrophobicContact CD1-SD 3.72Å; I292-T346 HydrophobicContact CD1-CG2 3.3Å; I292-T346 HydrophobicContact CG1-CG2 4.26Å
293D44Very low52.5Low107 Ų10776 Ų7657%0.57237%0.365SS*.SBendtrans-68.2138.3160.9-62.8-43.1000108.6
294N46.2Very low53.2Low83 Ų8376.2 Ų76.244%0.44438%0.384SS..SBendtrans71.551.5-179.7-47.9-36.6000115.9Y215 I296Y215-N294 PolarHBondContact OH-ND2 3.09Å; N294-I296 PolarHBondContact O-N 3.22Å; N294-I296 VanDerWaalsContact O-N 3.14Å
295I54.7Low54.5Low43 Ų4383.6 Ų83.622%0.22142%0.415CS..  trans-66.3111.3166.6-66176000109.4I292 L297 V322 F339I292-I295 HydrophobicContact CB-CG1 4.11Å; I292-I295 HydrophobicContact CG2-CG1 4.02Å; I295-L297 PolarHBondContact O-N 3.46Å; I295-V322 HydrophobicContact CD1-CG1 3.66Å; I295-F339 HydrophobicContact CG2-CD1 3.13Å; I295-F339 HydrophobicContact CG2-CE1 3.39Å; I295-F339 HydrophobicContact CG2-CG 4.27Å
296I54.5Low56Low68 Ų6883.2 Ų83.235%0.34943%0.425SS..EExtended strand (participates in β ladder)trans-83.598.2168.1-55.9-176000107.5N294 S298 E340N294-I296 PolarHBondContact O-N 3.22Å; N294-I296 VanDerWaalsContact O-N 3.14Å; I296-S298 PolarHBondContact O-N 2.9Å; I296-E340 PolarHBondContact O-N 2.87Å
297L59Low57.3Low37 Ų3785.5 Ų85.519%0.19443%0.433CS..EExtended strand (participates in β ladder)trans-79.8104.8170.2-177.671.3000108.4I295 L299 M328 L337 F339I295-L297 PolarHBondContact O-N 3.46Å; L297-L299 HydrophobicContact CD1-CD2 3.96Å; L297-L299 HydrophobicContact CD2-CD1 3.91Å; L297-L299 HydrophobicContact CD2-CD2 3.76Å; L297-L299 HydrophobicContact CD2-CG 3.79Å; L297-L299 HydrophobicContact CG-CD1 4.45Å; L297-L299 HydrophobicContact CG-CD2 3.78Å; L297-L299 HydrophobicContact CG-CG 3.81Å; L297-L299 PolarHBondContact O-N 2.85Å; L297-M328 HydrophobicContact CD2-CE 3.87Å; L297-M328 HydrophobicContact CD2-SD 3.99Å; L297-L337 HydrophobicContact CD1-CB 4.17Å; L297-L337 HydrophobicContact CD1-CD2 4.1Å; L297-F339 HydrophobicContact CB-CD1 4.3Å; L297-F339 HydrophobicContact CB-CE1 4.18Å; L297-F339 HydrophobicContact CD1-CD1 3.69Å; L297-F339 HydrophobicContact CD1-CE1 3.27Å; L297-F339 HydrophobicContact CD1-CE2 4.23Å; L297-F339 HydrophobicContact CD1-CG 4.4Å; L297-F339 HydrophobicContact CD1-CZ 3.58Å; L297-F339 HydrophobicContact CG-CE1 4.25Å
298S56.8Low59.4Low46 Ų4690.5 Ų90.532%0.32245%0.45SS..EExtended strand (participates in β ladder)trans-86.399.9168.3-173.90000107.1I296 V338I296-S298 PolarHBondContact O-N 2.9Å; S298-V338 PolarHBondContact N-O 2.94Å; S298-V338 WeakPolarHBondContact O-CB 3.27Å
299L58.6Low61.6Low36 Ų3690.3 Ų90.319%0.18845%0.448CS..  trans-83.7127.8170.2-64.5172.4000107.5L297 E301 M328 L337L297-L299 HydrophobicContact CD1-CD2 3.96Å; L297-L299 HydrophobicContact CD2-CD1 3.91Å; L297-L299 HydrophobicContact CD2-CD2 3.76Å; L297-L299 HydrophobicContact CD2-CG 3.79Å; L297-L299 HydrophobicContact CG-CD1 4.45Å; L297-L299 HydrophobicContact CG-CD2 3.78Å; L297-L299 HydrophobicContact CG-CG 3.81Å; L297-L299 PolarHBondContact O-N 2.85Å; L299-E301 PolarHBondContact O-N 2.89Å; L299-M328 HydrophobicContact CD1-CB 3.83Å; L299-M328 HydrophobicContact CD1-CE 3.77Å; L299-M328 HydrophobicContact CD1-CG 3.65Å; L299-M328 HydrophobicContact CD1-SD 4.36Å; L299-M328 HydrophobicContact CD2-CE 3.82Å; L299-M328 HydrophobicContact CG-CE 4.42Å; L299-L337 HydrophobicContact CD2-CD2 3.47Å; L299-L337 VanDerWaalsContact CD2-CD2 3.47Å
300Q53.8Low63.6Low170 Ų17086.1 Ų86.179%0.79443%0.433SS*.  trans-63.696.4153.8-75.2-167.8-2000106.2K302Q300-K302 PolarHBondContact O-N 2.97Å
301E54.5Low65.4Low178 Ų17884.3 Ų84.383%0.83243%0.425SS*.  trans-57107.1178.7-76-168.7156.900108.5L299 Q303L299-E301 PolarHBondContact O-N 2.89Å; E301-Q303 PolarHBondContact O-N 2.87Å
302K61.7Low67.4Low103 Ų10378.2 Ų78.245%0.44840%0.395SS..  trans-65.7126.9159.5-75.6-175.6178.1172.50106.2Q300 G304 D335Q300-K302 PolarHBondContact O-N 2.97Å; K302-G304 PolarHBondContact O-N 3.42Å; K302-G304 VanDerWaalsContact O-N 3.12Å; K302-D335 IonicContact NZ-OD1 3.86Å; K302-D335 PolarHBondContact NZ-OD1 3.12Å; K302-D335 IonicContact NZ-OD2 2.68Å; K302-D335 PolarHBondContact NZ-OD2 3.46Å
303Q64Low69.2Low204 Ų20476.5 Ų76.595%0.95339%0.387SS*.SBendtrans-55.2121.9171.1-69.6-167.9300108.7E301E301-Q303 PolarHBondContact O-N 2.87Å
304G71.3Confident71.2Confident67 Ų6772.3 Ų72.369%0.69137%0.365SS*.SBendtrans167.5-175.9-175.600000114.1K302K302-G304 PolarHBondContact O-N 3.42Å; K302-G304 VanDerWaalsContact O-N 3.12Å
305K81.5Confident73.1Confident160 Ų16069.5 Ų69.570%0.69635%0.351SS*.  trans-68.9141173.2-69.6-179.5-179.2175.20109.7Y307K305-Y307 HydrophobicContact CB-CE2 3.92Å; K305-Y307 WeakPolarHBondContact O-CE2 3.31Å
306S83.6Confident74.6Confident69 Ų6973.4 Ų73.448%0.48338%0.381SS..EExtended strand (participates in β ladder)trans-100.8137.9174.1-175.70000110.3K327 M328S306-K327 WeakPolarHBondContact OG-CB 3.47Å; S306-M328 CarbonylContact C-O 3.57Å; S306-M328 WeakPolarHBondContact CA-O 3.42Å; S306-M328 PolarHBondContact OG-N 3.33Å; S306-M328 PolarHBondContact OG-O 3.27Å
307Y85.7Confident76.1Confident60 Ų6072.6 Ų72.624%0.23538%0.377CS..EExtended strand (participates in β ladder)trans-123143.5-179.7-56.8-88000109.7H280 K305 S309 M328 E330H280-Y307 AromaticContact CD2-CD2 3.85Å; H280-Y307 AromaticContact CD2-CG 3.73Å; H280-Y307 AromaticContact NE2-CD2 3.81Å; H280-Y307 AromaticContact NE2-CG 3.81Å; K305-Y307 HydrophobicContact CB-CE2 3.92Å; K305-Y307 WeakPolarHBondContact O-CE2 3.31Å; Y307-S309 PolarHBondContact O-N 3.14Å; Y307-S309 PolarHBondContact O-OG 3.37Å; Y307-M328 PolarHBondContact N-O 2.83Å; Y307-M328 PolarHBondContact O-N 2.81Å; Y307-E330 HydrophobicContact CD2-CB 4.25Å; Y307-E330 HydrophobicContact CE2-CB 3.93Å
308W87.6Confident77.3Confident110 Ų11075.6 Ų75.642%0.41740%0.401SS..EExtended strand (participates in β ladder)trans-60.9123.1165.3-69.8114.5000108.4T272 S279 H280 A326 K327T272-W308 HydrophobicContact CG2-CB 3.8Å; T272-W308 HydrophobicContact CG2-CD2 3.9Å; T272-W308 HydrophobicContact CG2-CE3 4.5Å; T272-W308 HydrophobicContact CG2-CG 3.57Å; S279-W308 WeakPolarHBondContact CA-O 3.11Å; S279-W308 WeakPolarHBondContact CB-O 3.34Å; S279-W308 WeakPolarHBondContact OG-CB 3.44Å; S279-W308 PolarHBondContact OG-O 2.84Å; H280-W308 PolarHBondContact N-O 2.78Å; W308-A326 CarbonylContact C-O 3.54Å; W308-A326 WeakPolarHBondContact CA-O 3.35Å; W308-K327 HydrophobicContact CD2-CG 3.91Å; W308-K327 HydrophobicContact CE3-CG 3.69Å; W308-K327 HydrophobicContact CH2-CD 4.33Å; W308-K327 HydrophobicContact CH2-CG 3.98Å; W308-K327 HydrophobicContact CZ2-CD 4.32Å; W308-K327 HydrophobicContact CZ2-CG 4.18Å; W308-K327 HydrophobicContact CZ3-CG 3.73Å
309S87.4Confident78.7Confident0 Ų079.8 Ų79.80%042%0.419CS..EExtended strand (participates in β ladder)trans-139.4159.3-170.8-54.40000110.2H280 Y307 C325 A326H280-S309 CarbonylContact O-C 3.56Å; H280-S309 WeakPolarHBondContact O-CA 2.99Å; H280-S309 WeakPolarHBondContact O-CB 3.35Å; Y307-S309 PolarHBondContact O-N 3.14Å; Y307-S309 PolarHBondContact O-OG 3.37Å; S309-C325 CarbonylContact O-C 3.53Å; S309-C325 WeakPolarHBondContact O-CA 3.43Å; S309-A326 PolarHBondContact N-O 2.81Å; S309-A326 PolarHBondContact O-N 2.84Å
310S87.8Confident79.8Confident2 Ų278.6 Ų78.61%0.01441%0.413CS..EExtended strand (participates in β ladder)trans-132.2150.2171.576.20000109.7H280 L281 F282 W312 V323 P324H280-S310 PolarHBondContact O-N 2.84Å; L281-S310 WeakPolarHBondContact CD2-OG 3.45Å; F282-S310 PolarHBondContact N-O 3.33Å; S310-W312 PolarHBondContact OG-NE1 3.32Å; S310-V323 CarbonylContact C-O 3.55Å; S310-V323 WeakPolarHBondContact CA-O 3.39Å; S310-V323 VanDerWaalsContact CB-O 3.27Å; S310-V323 WeakPolarHBondContact CB-O 3.29Å; S310-P324 VanDerWaalsContact CB-O 3.29Å; S310-P324 WeakPolarHBondContact CB-O 3.44Å
311V86.8Confident81.2Confident2 Ų273.8 Ų73.81%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-114.1129.4179.4-176.20000108.9F282 V322 V323 M328 L337F282-V311 HydrophobicContact CB-CG2 4.48Å; F282-V311 CarbonylContact O-C 3.5Å; F282-V311 WeakPolarHBondContact O-CA 3.2Å; V311-V322 HydrophobicContact CB-CB 4.47Å; V311-V322 HydrophobicContact CG1-CB 4.29Å; V311-V322 WeakPolarHBondContact O-CA 3.41Å; V311-V322 PolarHBondContact O-N 2.92Å; V311-V323 HydrophobicContact CB-CB 3.82Å; V311-V323 HydrophobicContact CB-CG2 4.01Å; V311-V323 HydrophobicContact CG2-CB 3.96Å; V311-V323 HydrophobicContact CG2-CG2 4.12Å; V311-V323 PolarHBondContact N-O 3.18Å; V311-V323 PolarHBondContact O-N 3.04Å; V311-M328 HydrophobicContact CG2-CE 4Å; V311-M328 HydrophobicContact CG2-SD 3.92Å; V311-L337 HydrophobicContact CG1-CD1 3.71Å; V311-L337 HydrophobicContact CG2-CD1 4.23Å
312W88.4Confident82.6Confident59 Ų5966.7 Ų66.722%0.22336%0.361CS..EExtended strand (participates in β ladder)trans-116152.2-179-59.982.9000110.1F282 F283 G284 S310 S318 D320 L321F282-W312 PolarHBondContact O-N 3.17Å; F283-W312 CarbonylContact C-O 3.59Å; F283-W312 WeakPolarHBondContact CA-O 3.41Å; F283-W312 HydrophobicContact CD1-CB 3.63Å; F283-W312 HydrophobicContact CD1-CG 4.32Å; F283-W312 HydrophobicContact CE1-CB 3.8Å; F283-W312 HydrophobicContact CE1-CG 4.03Å; F283-W312 HydrophobicContact CG-CB 4.38Å; G284-W312 PolarHBondContact N-O 2.83Å; S310-W312 PolarHBondContact OG-NE1 3.32Å; W312-S318 WeakPolarHBondContact CZ3-O 3.47Å; W312-D320 CarbonylContact C-O 3.58Å; W312-D320 VanDerWaalsContact CA-O 3.32Å; W312-D320 WeakPolarHBondContact CA-O 3.32Å; W312-L321 HydrophobicContact CD2-CB 4.49Å; W312-L321 HydrophobicContact CD2-CD1 3.63Å; W312-L321 HydrophobicContact CE3-CB 3.91Å; W312-L321 HydrophobicContact CE3-CD1 3.88Å; W312-L321 HydrophobicContact CE3-CG 4.49Å; W312-L321 HydrophobicContact CG-CD1 4.2Å; W312-L321 HydrophobicContact CH2-CB 4.34Å; W312-L321 HydrophobicContact CH2-CD1 3.94Å; W312-L321 HydrophobicContact CH2-CD2 4.33Å; W312-L321 HydrophobicContact CH2-CG 4.45Å; W312-L321 HydrophobicContact CZ2-CD1 3.7Å; W312-L321 HydrophobicContact CZ3-CB 3.82Å; W312-L321 HydrophobicContact CZ3-CD1 4.03Å; W312-L321 HydrophobicContact CZ3-CG 4.38Å
313G86.4Confident83.7Confident3 Ų362.6 Ų62.63%0.03135%0.345CS..  trans-79.8-178.5170.600000112.2G284 D320G284-G313 CarbonylContact O-C 3.57Å; G284-G313 WeakPolarHBondContact O-CA 3.33Å; G313-D320 WeakPolarHBondContact CA-OD2 3.5Å; G313-D320 PolarHBondContact N-O 3.43Å
314P86Confident84.5Confident19 Ų1957 Ų5712%0.12333%0.326CS..SBendtrans-89.7-4.4-173.436.3-35000113.8I261 G284 D286 F356I261-P314 HydrophobicContact CD1-CB 4.11Å; G284-P314 WeakPolarHBondContact O-CD 3.29Å; D286-P314 WeakPolarHBondContact O-CG 3.2Å; D286-P314 WeakPolarHBondContact OD1-CD 3.42Å; P314-F356 HydrophobicContact CB-CD1 4.35Å; P314-F356 HydrophobicContact CB-CE1 3.9Å; P314-F356 HydrophobicContact CB-CE2 4.15Å; P314-F356 HydrophobicContact CB-CZ 3.79Å; P314-F356 HydrophobicContact CG-CD1 4.22Å; P314-F356 HydrophobicContact CG-CD2 4.1Å; P314-F356 HydrophobicContact CG-CE1 4.24Å; P314-F356 HydrophobicContact CG-CE2 4.14Å; P314-F356 HydrophobicContact CG-CG 4.16Å; P314-F356 HydrophobicContact CG-CZ 4.21Å; P314-F356 WeakPolarHBondContact O-CE2 3.48Å; P314-F356 WeakPolarHBondContact O-CZ 3.34Å
315T84.7Confident85.1Confident23 Ų2356.3 Ų56.314%0.14131%0.31CS..SBendtrans-73.7161.7-174.671.60000112.4D317 D320 F353 N354 F356T315-D317 PolarHBondContact O-N 3.1Å; T315-D317 VanDerWaalsContact O-N 3.17Å; T315-D320 VanDerWaalsContact CB-OD2 3.24Å; T315-D320 WeakPolarHBondContact CB-OD2 3.28Å; T315-D320 VanDerWaalsContact CG2-OD2 3.29Å; T315-D320 WeakPolarHBondContact CG2-OD2 3.41Å; T315-D320 PolarHBondContact N-OD2 2.83Å; T315-D320 WeakPolarHBondContact OG1-CB 3.1Å; T315-D320 PolarHBondContact OG1-OD2 2.71Å; T315-F353 HydrophobicContact CG2-CD1 4.1Å; T315-N354 VanDerWaalsContact CB-OD1 3.28Å; T315-N354 WeakPolarHBondContact CB-OD1 3.49Å; T315-F356 HydrophobicContact CG2-CD2 4.1Å; T315-F356 HydrophobicContact CG2-CE2 4.19Å
316C87.4Confident85.2Confident126 Ų12649.9 Ų49.985%0.85129%0.287SS*.SBendtrans-76.88.7176.1-61.90000113.2N354C316-N354 PolarHBondContact N-OD1 2.71Å
317D84.9Confident85.3Confident51 Ų5153 Ų5327%0.27329%0.292SS..  trans-104.7130.6-172.3-170-33000110.8R289 T315 L319 D320R289-D317 IonicContact CZ-OD2 2.6Å; R289-D317 IonicContact NH1-OD2 3.99Å; R289-D317 IonicContact NH2-OD1 2.69Å; R289-D317 IonicContact NH2-OD2 3.83Å; R289-D317 PolarHBondContact NH2-OD2 3.2Å; T315-D317 PolarHBondContact O-N 3.1Å; T315-D317 VanDerWaalsContact O-N 3.17Å; D317-L319 PolarHBondContact O-N 3.38Å; D317-L319 WeakPolarHBondContact OD1-CB 3.24Å; D317-L319 WeakPolarHBondContact OD1-CG 3.2Å; D317-L319 PolarHBondContact OD1-N 2.9Å; D317-D320 WeakPolarHBondContact O-CB 3.17Å; D317-D320 PolarHBondContact O-N 2.69Å
318S85.1Confident85.1Confident100 Ų10050.2 Ų50.270%0.69928%0.281SS*.THydrogen-bonded Turntrans-70.4-5.7179.357.10000114.3W312 D320W312-S318 WeakPolarHBondContact CZ3-O 3.47Å; S318-D320 VanDerWaalsContact C-N 3.31Å
319L84.7Confident85Confident134 Ų13445.6 Ų45.670%0.70227%0.265SS*.THydrogen-bonded Turntrans-83.9-7169.7-61.8179.4000113D317 L321D317-L319 PolarHBondContact O-N 3.38Å; D317-L319 WeakPolarHBondContact OD1-CB 3.24Å; D317-L319 WeakPolarHBondContact OD1-CG 3.2Å; D317-L319 PolarHBondContact OD1-N 2.9Å; L319-L321 PolarHBondContact O-N 2.95Å
320D83.4Confident84.9Confident10 Ų1049.1 Ų49.15%0.05328%0.282CS..  trans-80.556.4-178.9-159.423.3000112.2W312 G313 T315 D317 S318W312-D320 CarbonylContact C-O 3.58Å; W312-D320 VanDerWaalsContact CA-O 3.32Å; W312-D320 WeakPolarHBondContact CA-O 3.32Å; G313-D320 WeakPolarHBondContact CA-OD2 3.5Å; G313-D320 PolarHBondContact N-O 3.43Å; T315-D320 VanDerWaalsContact CB-OD2 3.24Å; T315-D320 WeakPolarHBondContact CB-OD2 3.28Å; T315-D320 VanDerWaalsContact CG2-OD2 3.29Å; T315-D320 WeakPolarHBondContact CG2-OD2 3.41Å; T315-D320 PolarHBondContact N-OD2 2.83Å; T315-D320 WeakPolarHBondContact OG1-CB 3.1Å; T315-D320 PolarHBondContact OG1-OD2 2.71Å; D317-D320 WeakPolarHBondContact O-CB 3.17Å; D317-D320 PolarHBondContact O-N 2.69Å; S318-D320 VanDerWaalsContact C-N 3.31Å
321L83Confident84.7Confident69 Ų6949.3 Ų49.336%0.36128%0.283SS..EExtended strand (participates in β ladder)trans-104.4108.6179.518062.6000109.2W312 L319 P324W312-L321 HydrophobicContact CD2-CB 4.49Å; W312-L321 HydrophobicContact CD2-CD1 3.63Å; W312-L321 HydrophobicContact CE3-CB 3.91Å; W312-L321 HydrophobicContact CE3-CD1 3.88Å; W312-L321 HydrophobicContact CE3-CG 4.49Å; W312-L321 HydrophobicContact CG-CD1 4.2Å; W312-L321 HydrophobicContact CH2-CB 4.34Å; W312-L321 HydrophobicContact CH2-CD1 3.94Å; W312-L321 HydrophobicContact CH2-CD2 4.33Å; W312-L321 HydrophobicContact CH2-CG 4.45Å; W312-L321 HydrophobicContact CZ2-CD1 3.7Å; W312-L321 HydrophobicContact CZ3-CB 3.82Å; W312-L321 HydrophobicContact CZ3-CD1 4.03Å; W312-L321 HydrophobicContact CZ3-CG 4.38Å; L319-L321 PolarHBondContact O-N 2.95Å; L321-P324 HydrophobicContact CD2-CB 3.8Å; L321-P324 HydrophobicContact CG-CB 4.26Å
322V83Confident84.8Confident29 Ų2953.3 Ų53.318%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-82.3-51.1-176.2-177.30000110.9D286 I295 V311 F339D286-V322 WeakPolarHBondContact OD2-CG2 3.39Å; I295-V322 HydrophobicContact CD1-CG1 3.66Å; V311-V322 HydrophobicContact CB-CB 4.47Å; V311-V322 HydrophobicContact CG1-CB 4.29Å; V311-V322 WeakPolarHBondContact O-CA 3.41Å; V311-V322 PolarHBondContact O-N 2.92Å; V322-F339 HydrophobicContact CG1-CE1 4.27Å; V322-F339 HydrophobicContact CG1-CZ 4.12Å
323V84.3Confident84.8Confident17 Ų1756.4 Ų56.410%0.10332%0.318CS..EExtended strand (participates in β ladder)trans-122.7107.3177.3-1780000108.2S310 V311 C325 A326 F339S310-V323 CarbonylContact C-O 3.55Å; S310-V323 WeakPolarHBondContact CA-O 3.39Å; S310-V323 VanDerWaalsContact CB-O 3.27Å; S310-V323 WeakPolarHBondContact CB-O 3.29Å; V311-V323 HydrophobicContact CB-CB 3.82Å; V311-V323 HydrophobicContact CB-CG2 4.01Å; V311-V323 HydrophobicContact CG2-CB 3.96Å; V311-V323 HydrophobicContact CG2-CG2 4.12Å; V311-V323 PolarHBondContact N-O 3.18Å; V311-V323 PolarHBondContact O-N 3.04Å; V323-C325 PolarHBondContact O-N 3.38Å; V323-A326 HydrophobicContact CG1-CB 3.77Å; V323-F339 HydrophobicContact CG2-CE1 4.18Å
324P82.1Confident84.7Confident86 Ų8658.7 Ų58.756%0.55834%0.342SS*.EExtended strand (participates in β ladder)trans-68.6-36-173.424.6-33.4000113.5S310 L321S310-P324 VanDerWaalsContact CB-O 3.29Å; S310-P324 WeakPolarHBondContact CB-O 3.44Å; L321-P324 HydrophobicContact CD2-CB 3.8Å; L321-P324 HydrophobicContact CG-CB 4.26Å
325C84.1Confident84.8Confident54 Ų5459.4 Ų59.437%0.36534%0.344SS..EExtended strand (participates in β ladder)trans-160.9122-179.9-175.40000110I271 S309 V323I271-C325 HydrophobicContact CG2-CB 4.02Å; S309-C325 CarbonylContact O-C 3.53Å; S309-C325 WeakPolarHBondContact O-CA 3.43Å; V323-C325 PolarHBondContact O-N 3.38Å
326A83.6Confident84.7Confident24 Ų2462.8 Ų62.820%0.19836%0.361CS..EExtended strand (participates in β ladder)trans-145.8156.1172.500000110.3W308 S309 V323 M328W308-A326 CarbonylContact C-O 3.54Å; W308-A326 WeakPolarHBondContact CA-O 3.35Å; S309-A326 PolarHBondContact N-O 2.81Å; S309-A326 PolarHBondContact O-N 2.84Å; V323-A326 HydrophobicContact CG1-CB 3.77Å; A326-M328 HydrophobicContact CB-CG 3.96Å; A326-M328 HydrophobicContact CB-SD 4.2Å
327K84.5Confident84.6Confident135 Ų13556.8 Ų56.859%0.58732%0.32SS*.EExtended strand (participates in β ladder)trans-85.3119.4167.3-85.6-169.8-176.7177.60108.6S306 W308S306-K327 WeakPolarHBondContact OG-CB 3.47Å; W308-K327 HydrophobicContact CD2-CG 3.91Å; W308-K327 HydrophobicContact CE3-CG 3.69Å; W308-K327 HydrophobicContact CH2-CD 4.33Å; W308-K327 HydrophobicContact CH2-CG 3.98Å; W308-K327 HydrophobicContact CZ2-CD 4.32Å; W308-K327 HydrophobicContact CZ2-CG 4.18Å; W308-K327 HydrophobicContact CZ3-CG 3.73Å
328M82Confident84.6Confident2 Ų255 Ų551%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-135.8148.2-173.8-53.6-179.150.900110F282 L297 L299 S306 Y307 V311 A326 L331 L337F282-M328 HydrophobicContact CD2-CE 3.78Å; F282-M328 HydrophobicContact CD2-SD 4.2Å; F282-M328 HydrophobicContact CE2-CB 4.37Å; F282-M328 HydrophobicContact CE2-CE 3.91Å; F282-M328 HydrophobicContact CE2-SD 4.27Å; L297-M328 HydrophobicContact CD2-CE 3.87Å; L297-M328 HydrophobicContact CD2-SD 3.99Å; L299-M328 HydrophobicContact CD1-CB 3.83Å; L299-M328 HydrophobicContact CD1-CE 3.77Å; L299-M328 HydrophobicContact CD1-CG 3.65Å; L299-M328 HydrophobicContact CD1-SD 4.36Å; L299-M328 HydrophobicContact CD2-CE 3.82Å; L299-M328 HydrophobicContact CG-CE 4.42Å; S306-M328 CarbonylContact C-O 3.57Å; S306-M328 WeakPolarHBondContact CA-O 3.42Å; S306-M328 PolarHBondContact OG-N 3.33Å; S306-M328 PolarHBondContact OG-O 3.27Å; Y307-M328 PolarHBondContact N-O 2.83Å; Y307-M328 PolarHBondContact O-N 2.81Å; V311-M328 HydrophobicContact CG2-CE 4Å; V311-M328 HydrophobicContact CG2-SD 3.92Å; A326-M328 HydrophobicContact CB-CG 3.96Å; A326-M328 HydrophobicContact CB-SD 4.2Å; M328-L331 HydrophobicContact CE-CD1 3.72Å; M328-L337 HydrophobicContact CE-CD2 3.74Å
329S85.3Confident84.6Confident13 Ų1350.7 Ų50.79%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-61.5158.7165.7540000110.2L331S329-L331 PolarHBondContact O-N 2.78Å
330E84.7Confident84.8Confident74 Ų7448.2 Ų48.235%0.34627%0.265SS..  trans-61.8130.2168.3-170.2165.3-165.600109.4R263 H280 Y307R263-E330 IonicContact CZ-OE1 3.97Å; R263-E330 IonicContact NH1-OE1 3.25Å; R263-E330 PolarHBondContact NH1-OE1 2.82Å; H280-E330 IonicContact CE1-OE1 3.58Å; H280-E330 IonicContact NE2-OE1 3.98Å; Y307-E330 HydrophobicContact CD2-CB 4.25Å; Y307-E330 HydrophobicContact CE2-CB 3.93Å
331L84.6Confident85Confident6 Ų649.2 Ų49.23%0.03127%0.27CS..  trans-115.8149.8177.1-55.2172.9000109.1V260 R263 F282 M328 S329 D335 L337V260-L331 HydrophobicContact CG2-CB 4.41Å; V260-L331 HydrophobicContact CG2-CD1 4.19Å; R263-L331 WeakPolarHBondContact CD-O 3.5Å; F282-L331 HydrophobicContact CD1-CB 4Å; F282-L331 HydrophobicContact CD1-CD1 4.41Å; F282-L331 HydrophobicContact CD2-CD1 4.14Å; F282-L331 HydrophobicContact CE1-CB 3.53Å; F282-L331 HydrophobicContact CE1-CD1 4.37Å; F282-L331 HydrophobicContact CE1-CG 4.16Å; F282-L331 WeakPolarHBondContact CE1-O 3.41Å; F282-L331 HydrophobicContact CE2-CD1 4.05Å; F282-L331 HydrophobicContact CE2-CG 4.26Å; F282-L331 HydrophobicContact CG-CD1 4.31Å; F282-L331 HydrophobicContact CZ-CB 3.8Å; F282-L331 HydrophobicContact CZ-CD1 4.17Å; F282-L331 HydrophobicContact CZ-CG 3.93Å; M328-L331 HydrophobicContact CE-CD1 3.72Å; S329-L331 PolarHBondContact O-N 2.78Å; L331-D335 WeakPolarHBondContact CA-OD2 3.12Å; L331-D335 HydrophobicContact CB-CB 4.25Å; L331-D335 HydrophobicContact CD2-CB 4.38Å; L331-L337 HydrophobicContact CD1-CD2 3.47Å; L331-L337 VanDerWaalsContact CD1-CD2 3.47Å; L331-L337 HydrophobicContact CD1-CG 4.39Å
332E87.7Confident85.3Confident85 Ų8546.2 Ų46.240%0.39726%0.255SS..  trans-106.3161.6175-65.1-63.6164.600111.1R263 G334 D335R263-E332 IonicContact CZ-OE1 3.52Å; R263-E332 IonicContact CZ-OE2 3.19Å; R263-E332 IonicContact NE-OE1 3.78Å; R263-E332 IonicContact NE-OE2 2.76Å; R263-E332 PolarHBondContact NE-OE2 2.63Å; R263-E332 VanDerWaalsContact NH2-CD 3.27Å; R263-E332 IonicContact NH2-OE1 2.9Å; R263-E332 PolarHBondContact NH2-OE1 2.89Å; R263-E332 IonicContact NH2-OE2 2.85Å; R263-E332 PolarHBondContact NH2-OE2 2.88Å; E332-G334 PolarHBondContact O-N 2.68Å; E332-D335 PolarHBondContact N-OD2 3.29Å; E332-D335 VanDerWaalsContact O-CB 3.29Å; E332-D335 WeakPolarHBondContact O-CB 3.05Å; E332-D335 PolarHBondContact O-N 3.17Å
333E89Confident85.7Confident125 Ų12544.9 Ų44.958%0.58425%0.246SC*.THydrogen-bonded Turntrans-56.1134.1168.2-68.8177.2-164.600109.9V260V260-E333 WeakPolarHBondContact O-CA 3.47Å
334G85.8Confident86Confident51 Ų5144.2 Ų44.253%0.52624%0.243SC..THydrogen-bonded Turntrans91.9-15.8-173.100000114.9V260 E332V260-G334 PolarHBondContact O-N 3.06Å; E332-G334 PolarHBondContact O-N 2.68Å
335D86.9Confident86.3Confident33 Ų3343.9 Ų43.918%0.17623%0.231CC..PPolyproline II helixtrans-65.2155.4172.9-77.6-25.6000111.3T259 V260 K302 L331 E332T259-D335 WeakPolarHBondContact CA-O 3.35Å; V260-D335 HydrophobicContact CG2-CB 4.4Å; V260-D335 PolarHBondContact N-O 3.05Å; K302-D335 IonicContact NZ-OD1 3.86Å; K302-D335 PolarHBondContact NZ-OD1 3.12Å; K302-D335 IonicContact NZ-OD2 2.68Å; K302-D335 PolarHBondContact NZ-OD2 3.46Å; L331-D335 WeakPolarHBondContact CA-OD2 3.12Å; L331-D335 HydrophobicContact CB-CB 4.25Å; L331-D335 HydrophobicContact CD2-CB 4.38Å; E332-D335 PolarHBondContact N-OD2 3.29Å; E332-D335 VanDerWaalsContact O-CB 3.29Å; E332-D335 WeakPolarHBondContact O-CB 3.05Å; E332-D335 PolarHBondContact O-N 3.17Å
336L83.6Confident86.4Confident94 Ų9441.5 Ų41.549%0.49222%0.215SC..EExtended strand (participates in β ladder)trans-101.9132.7-178.8-64.6177.2000111.9C258C258-L336 CarbonylContact O-C 3.53Å; C258-L336 WeakPolarHBondContact O-CA 3.29Å
337L83.8Confident86.5Confident0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-98.8130.7163.4-63.8171.7000108.4Y257 C258 V260 L297 L299 V311 M328 L331 F339Y257-L337 WeakPolarHBondContact CA-O 3.41Å; C258-L337 HydrophobicContact CB-CB 4.34Å; C258-L337 PolarHBondContact N-O 2.79Å; C258-L337 PolarHBondContact O-N 3.35Å; V260-L337 HydrophobicContact CG2-CD1 4.1Å; V260-L337 HydrophobicContact CG2-CG 4Å; L297-L337 HydrophobicContact CD1-CB 4.17Å; L297-L337 HydrophobicContact CD1-CD2 4.1Å; L299-L337 HydrophobicContact CD2-CD2 3.47Å; L299-L337 VanDerWaalsContact CD2-CD2 3.47Å; V311-L337 HydrophobicContact CG1-CD1 3.71Å; V311-L337 HydrophobicContact CG2-CD1 4.23Å; M328-L337 HydrophobicContact CE-CD2 3.74Å; L331-L337 HydrophobicContact CD1-CD2 3.47Å; L331-L337 VanDerWaalsContact CD1-CD2 3.47Å; L331-L337 HydrophobicContact CD1-CG 4.39Å; L337-F339 HydrophobicContact CB-CE2 3.89Å; L337-F339 HydrophobicContact CB-CZ 4.33Å
338V85.6Confident86.6Confident14 Ų1436.5 Ų36.59%0.08520%0.195CC..EExtended strand (participates in β ladder)trans-112.9126.2178.3-169.50000109.7T255 L256 Y257 S298T255-V338 HydrophobicContact CG2-CG1 3.44Å; T255-V338 VanDerWaalsContact CG2-CG1 3.44Å; L256-V338 WeakPolarHBondContact O-CA 3.22Å; Y257-V338 HydrophobicContact CD1-CB 4.42Å; Y257-V338 HydrophobicContact CD1-CG1 4.11Å; Y257-V338 HydrophobicContact CD1-CG2 3.62Å; Y257-V338 HydrophobicContact CE1-CB 4.42Å; Y257-V338 HydrophobicContact CE1-CG1 3.81Å; Y257-V338 HydrophobicContact CE1-CG2 3.7Å; S298-V338 PolarHBondContact N-O 2.94Å; S298-V338 WeakPolarHBondContact O-CB 3.27Å
339F85.6Confident86.7Confident9 Ų939.9 Ų39.94%0.03922%0.223CC..EExtended strand (participates in β ladder)trans-116.2110.5177.3-60.3-79.4000108.8T255 L256 C258 I295 L297 V322 V323 L337 M342T255-F339 WeakPolarHBondContact CA-O 3.2Å; T255-F339 WeakPolarHBondContact CG2-O 3.48Å; L256-F339 HydrophobicContact CB-CB 4.18Å; L256-F339 HydrophobicContact CD2-CD2 4.27Å; L256-F339 HydrophobicContact CG-CD2 4.37Å; L256-F339 PolarHBondContact N-O 2.78Å; L256-F339 PolarHBondContact O-N 2.96Å; C258-F339 HydrophobicContact CB-CE2 4.18Å; I295-F339 HydrophobicContact CG2-CD1 3.13Å; I295-F339 HydrophobicContact CG2-CE1 3.39Å; I295-F339 HydrophobicContact CG2-CG 4.27Å; L297-F339 HydrophobicContact CB-CD1 4.3Å; L297-F339 HydrophobicContact CB-CE1 4.18Å; L297-F339 HydrophobicContact CD1-CD1 3.69Å; L297-F339 HydrophobicContact CD1-CE1 3.27Å; L297-F339 HydrophobicContact CD1-CE2 4.23Å; L297-F339 HydrophobicContact CD1-CG 4.4Å; L297-F339 HydrophobicContact CD1-CZ 3.58Å; L297-F339 HydrophobicContact CG-CE1 4.25Å; V322-F339 HydrophobicContact CG1-CE1 4.27Å; V322-F339 HydrophobicContact CG1-CZ 4.12Å; V323-F339 HydrophobicContact CG2-CE1 4.18Å; L337-F339 HydrophobicContact CB-CE2 3.89Å; L337-F339 HydrophobicContact CB-CZ 4.33Å; F339-M342 HydrophobicContact CB-CG 3.68Å; F339-M342 HydrophobicContact CB-SD 4.22Å; F339-M342 VanDerWaalsContact O-CG 3.3Å; F339-M342 WeakPolarHBondContact O-CG 3.47Å
340E88.1Confident86.7Confident82 Ų8239.5 Ų39.538%0.38322%0.221SC..EExtended strand (participates in β ladder)trans-83.6167.1177.9-63.6-177.117300110.9T255 I296 M342T255-E340 HydrophobicContact CG2-CG 4.2Å; I296-E340 PolarHBondContact O-N 2.87Å; E340-M342 WeakPolarHBondContact O-CG 3.19Å; E340-M342 PolarHBondContact O-N 3.47Å
341N88.4Confident86.5Confident31 Ų3138.6 Ų38.617%0.16622%0.222CC..SBendtrans60.130.9175.9-59.1-22.4000114.5H210 E251 R252 G343H210-N341 PolarHBondContact CD2-ND2 2.87Å; E251-N341 HydrophobicContact CG-CB 3.85Å; E251-N341 CarbonylContact O-C 3.54Å; E251-N341 WeakPolarHBondContact O-CA 3.14Å; R252-N341 WeakPolarHBondContact CG-OD1 3.4Å; N341-G343 VanDerWaalsContact C-N 3.32Å; N341-G343 PolarHBondContact O-N 2.9Å
342M88.9Confident86.6Confident7 Ų743.6 Ų43.63%0.03425%0.246CC..THydrogen-bonded Turntrans-93.223.6-172.2-73.1-64.1-69.100113.3E251 F254 L256 F290 I292 F339 E340 T346E251-M342 PolarHBondContact O-N 3.24Å; F254-M342 PolarHBondContact O-N 3.25Å; L256-M342 HydrophobicContact CB-CB 4.09Å; L256-M342 HydrophobicContact CB-CG 4Å; L256-M342 HydrophobicContact CD2-CE 3.84Å; F290-M342 HydrophobicContact CD1-CE 4.48Å; F290-M342 HydrophobicContact CD2-CE 3.85Å; F290-M342 HydrophobicContact CE2-CE 3.9Å; F290-M342 HydrophobicContact CG-CE 4.14Å; F290-M342 HydrophobicContact CZ-CE 4.24Å; I292-M342 HydrophobicContact CD1-CE 3.45Å; I292-M342 VanDerWaalsContact CD1-CE 3.45Å; I292-M342 HydrophobicContact CD1-SD 3.72Å; F339-M342 HydrophobicContact CB-CG 3.68Å; F339-M342 HydrophobicContact CB-SD 4.22Å; F339-M342 VanDerWaalsContact O-CG 3.3Å; F339-M342 WeakPolarHBondContact O-CG 3.47Å; E340-M342 WeakPolarHBondContact O-CG 3.19Å; E340-M342 PolarHBondContact O-N 3.47Å; M342-T346 HydrophobicContact CE-CG2 4.12Å; M342-T346 VanDerWaalsContact O-CB 3.26Å; M342-T346 WeakPolarHBondContact O-CB 3.27Å; M342-T346 WeakPolarHBondContact O-CG2 3.4Å; M342-T346 PolarHBondContact O-OG1 2.84Å; M342-T346 HydrophobicContact SD-CG2 4.43Å
343G91.2Very high86.4Confident0 Ų044.1 Ų44.10%025%0.247CC..THydrogen-bonded Turntrans-96.4-16.1-175.400000116N39 A250 E251 N341N39-G343 WeakPolarHBondContact CB-O 3.36Å; N39-G343 PolarHBondContact ND2-O 2.91Å; A250-G343 WeakPolarHBondContact CB-O 3.32Å; A250-G343 VanDerWaalsContact O-CA 3.25Å; A250-G343 WeakPolarHBondContact O-CA 3.33Å; E251-G343 PolarHBondContact O-N 3.25Å; N341-G343 VanDerWaalsContact C-N 3.32Å; N341-G343 PolarHBondContact O-N 2.9Å
344A91.2Very high86.3Confident3 Ų342 Ų423%0.02524%0.239CC..SBendtrans-104.7122.2-175.100000112R247 A250 E251 T346R247-A344 HydrophobicContact CB-CB 3.97Å; R247-A344 HydrophobicContact CG-CB 3.73Å; A250-A344 HydrophobicContact CB-CB 4.43Å; E251-A344 HydrophobicContact CB-CB 3.95Å; E251-A344 HydrophobicContact CG-CB 4.43Å; A344-T346 VanDerWaalsContact O-CG2 3.32Å; A344-T346 WeakPolarHBondContact O-CG2 3.5Å; A344-T346 PolarHBondContact O-N 3.02Å
345Y88.7Confident86.3Confident79 Ų7942.4 Ų42.431%0.3124%0.244SC..SBendtrans5928.1178-50.7-78.8000114.3C38 R247C38-Y345 HydrophobicContact CB-CD1 4.49Å; C38-Y345 HydrophobicContact CB-CE1 3.96Å; C38-Y345 HydrophobicContact CB-CE2 4.36Å; C38-Y345 WeakPolarHBondContact O-CA 3.45Å; C38-Y345 PolarHBondContact O-N 2.85Å; R247-Y345 HydrophobicContact CB-CE2 4.23Å
346T86.1Confident86.1Confident4 Ų443.4 Ų43.43%0.02525%0.247CC..SBendtrans-101.1-89-179.260.70000109.4F290 I292 M342 A344 A348 A349 S350F290-T346 HydrophobicContact CD1-CG2 4.37Å; F290-T346 VanDerWaalsContact CE1-CA 3.48Å; F290-T346 VanDerWaalsContact CE1-CB 3.48Å; F290-T346 HydrophobicContact CE1-CG2 4.4Å; I292-T346 HydrophobicContact CD1-CG2 3.3Å; I292-T346 HydrophobicContact CG1-CG2 4.26Å; M342-T346 HydrophobicContact CE-CG2 4.12Å; M342-T346 VanDerWaalsContact O-CB 3.26Å; M342-T346 WeakPolarHBondContact O-CB 3.27Å; M342-T346 WeakPolarHBondContact O-CG2 3.4Å; M342-T346 PolarHBondContact O-OG1 2.84Å; M342-T346 HydrophobicContact SD-CG2 4.43Å; A344-T346 VanDerWaalsContact O-CG2 3.32Å; A344-T346 WeakPolarHBondContact O-CG2 3.5Å; A344-T346 PolarHBondContact O-N 3.02Å; T346-A348 PolarHBondContact O-N 2.84Å; T346-A348 VanDerWaalsContact O-N 3.12Å; T346-A349 PolarHBondContact O-N 2.76Å; T346-S350 PolarHBondContact O-N 2.94Å
347L85.4Confident85.9Confident24 Ų2446.9 Ų46.913%0.12626%0.258CS..G310 helixtrans-54.4-35.7-178.8-66174.9000112F254 A349 S350 L359F254-L347 HydrophobicContact CD1-CD1 4.03Å; F254-L347 HydrophobicContact CE1-CD1 3.93Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.02Å; L347-S350 WeakPolarHBondContact O-CB 3.36Å; L347-S350 PolarHBondContact O-N 3.18Å; L347-S350 PolarHBondContact O-OG 3.21Å; L347-L359 HydrophobicContact CD2-CB 3.85Å; L347-L359 HydrophobicContact CD2-CD1 3.64Å; L347-L359 HydrophobicContact CD2-CG 4.26Å
348A87Confident85.5Confident30 Ų3053.2 Ų53.225%0.24828%0.282CS..G310 helixtrans-61.5-32.5179.200000113.5T346T346-A348 PolarHBondContact O-N 2.84Å; T346-A348 VanDerWaalsContact O-N 3.12Å
349A83.9Confident85Confident73 Ų7353.6 Ų53.660%0.60328%0.283SS*.G310 helixtrans-101.31.2-17900000113.5T346 L347T346-A349 PolarHBondContact O-N 2.76Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.02Å
350S83.7Confident84.3Confident5 Ų557.1 Ų57.14%0.03531%0.305CS..  trans-63.3147.2-178.761.80000113.6T346 L347 R358T346-S350 PolarHBondContact O-N 2.94Å; L347-S350 WeakPolarHBondContact O-CB 3.36Å; L347-S350 PolarHBondContact O-N 3.18Å; L347-S350 PolarHBondContact O-OG 3.21Å; S350-R358 PolarHBondContact O-NE 3.34Å; S350-R358 PolarHBondContact O-NH2 2.69Å; S350-R358 WeakPolarHBondContact OG-CD 3.14Å; S350-R358 PolarHBondContact OG-NE 3.25Å
351S82Confident83.9Confident55 Ų5556.6 Ų56.639%0.38530%0.3SS..  trans-125.2160.7171.973.80000110.7F353S351-F353 VanDerWaalsContact C-N 3.27Å; S351-F353 PolarHBondContact O-N 3.26Å
352E86.1Confident83.5Confident111 Ų11159.4 Ų59.452%0.51931%0.311SS..  trans-97.139.3174.2-58.5-169.6148.800111.3G355 F356 R358E352-G355 WeakPolarHBondContact O-CA 2.99Å; E352-G355 PolarHBondContact O-N 3.19Å; E352-F356 VanDerWaalsContact CA-O 3.23Å; E352-F356 WeakPolarHBondContact CA-O 3.38Å; E352-F356 WeakPolarHBondContact CB-O 3.4Å; E352-R358 HydrophobicContact CG-CG 3.86Å; E352-R358 PolarHBondContact OE1-N 2.87Å
353F84.1Confident83Confident96 Ų9661.9 Ų61.942%0.42133%0.326SS..G310 helixtrans-57.7142177.6-175.8-106.4000110.7T315 S351 G355 F356T315-F353 HydrophobicContact CG2-CD1 4.1Å; S351-F353 VanDerWaalsContact C-N 3.27Å; S351-F353 PolarHBondContact O-N 3.26Å; F353-G355 PolarHBondContact O-N 2.79Å; F353-G355 VanDerWaalsContact O-N 3.1Å; F353-F356 WeakPolarHBondContact O-CD2 3.2Å; F353-F356 PolarHBondContact O-N 2.69Å
354N86.1Confident82.1Confident80 Ų8067.2 Ų67.243%0.42835%0.352SS..G310 helixtrans55.613.5-167-63.4153.6000115.8T315 C316 F356T315-N354 VanDerWaalsContact CB-OD1 3.28Å; T315-N354 WeakPolarHBondContact CB-OD1 3.49Å; C316-N354 PolarHBondContact N-OD1 2.71Å; N354-F356 VanDerWaalsContact C-N 3.3Å; N354-F356 HydrophobicContact CB-CD2 3.82Å; N354-F356 HydrophobicContact CB-CE2 3.62Å
355G85.4Confident80.6Confident60 Ų6076.1 Ų76.162%0.61939%0.385SS*.G310 helixtrans808.9177.700000114.2E352 F353 K357E352-G355 WeakPolarHBondContact O-CA 2.99Å; E352-G355 PolarHBondContact O-N 3.19Å; F353-G355 PolarHBondContact O-N 2.79Å; F353-G355 VanDerWaalsContact O-N 3.1Å; G355-K357 PolarHBondContact O-N 3.36Å
356F82.3Confident79Confident55 Ų5574.5 Ų74.524%0.24139%0.385CS..  trans-68.8115.6171.2-64.4-69.1000109.3P314 T315 E352 F353 N354P314-F356 HydrophobicContact CB-CD1 4.35Å; P314-F356 HydrophobicContact CB-CE1 3.9Å; P314-F356 HydrophobicContact CB-CE2 4.15Å; P314-F356 HydrophobicContact CB-CZ 3.79Å; P314-F356 HydrophobicContact CG-CD1 4.22Å; P314-F356 HydrophobicContact CG-CD2 4.1Å; P314-F356 HydrophobicContact CG-CE1 4.24Å; P314-F356 HydrophobicContact CG-CE2 4.14Å; P314-F356 HydrophobicContact CG-CG 4.16Å; P314-F356 HydrophobicContact CG-CZ 4.21Å; P314-F356 WeakPolarHBondContact O-CE2 3.48Å; P314-F356 WeakPolarHBondContact O-CZ 3.34Å; T315-F356 HydrophobicContact CG2-CD2 4.1Å; T315-F356 HydrophobicContact CG2-CE2 4.19Å; E352-F356 VanDerWaalsContact CA-O 3.23Å; E352-F356 WeakPolarHBondContact CA-O 3.38Å; E352-F356 WeakPolarHBondContact CB-O 3.4Å; F353-F356 WeakPolarHBondContact O-CD2 3.2Å; F353-F356 PolarHBondContact O-N 2.69Å; N354-F356 VanDerWaalsContact C-N 3.3Å; N354-F356 HydrophobicContact CB-CD2 3.82Å; N354-F356 HydrophobicContact CB-CE2 3.62Å
357K81.2Confident77.2Confident166 Ų16681.5 Ų81.572%0.72242%0.421SS*.PPolyproline II helixtrans-62.4147.5179.5-66.8-176.4179.71760110.7G287 G355G287-K357 WeakPolarHBondContact CA-O 3.23Å; G355-K357 PolarHBondContact O-N 3.36Å
358R74.6Confident75.6Confident133 Ų13387 Ų8750%0.50244%0.441SS..PPolyproline II helixtrans-57.4151.4171-69.2-178.1173.8-179.9-4.1111.6S350 E352S350-R358 PolarHBondContact O-NE 3.34Å; S350-R358 PolarHBondContact O-NH2 2.69Å; S350-R358 WeakPolarHBondContact OG-CD 3.14Å; S350-R358 PolarHBondContact OG-NE 3.25Å; E352-R358 HydrophobicContact CG-CG 3.86Å; E352-R358 PolarHBondContact OE1-N 2.87Å
359L75.6Confident73.8Confident23 Ų2389.3 Ų89.312%0.1245%0.454CS..PPolyproline II helixtrans-56.1140.6-178.6-67166.4000112.5A7 C9 L256 F290 L347A7-L359 HydrophobicContact CB-CD2 3.33Å; C9-L359 HydrophobicContact CB-CB 4.46Å; L256-L359 HydrophobicContact CD1-CD1 3.55Å; L256-L359 HydrophobicContact CD1-CD2 3.76Å; L256-L359 HydrophobicContact CD1-CG 4.3Å; L256-L359 HydrophobicContact CD2-CD1 4.43Å; F290-L359 HydrophobicContact CE2-CD1 4.4Å; F290-L359 HydrophobicContact CZ-CD1 3.97Å; L347-L359 HydrophobicContact CD2-CB 3.85Å; L347-L359 HydrophobicContact CD2-CD1 3.64Å; L347-L359 HydrophobicContact CD2-CG 4.26Å
360V71Confident72.2Confident83 Ų8389.3 Ų89.350%0.50345%0.45SS..EExtended strand (participates in β ladder)trans-83.8120.6169.4-1760000108.5C9 F362C9-V360 PolarHBondContact N-O 2.9Å; V360-F362 HydrophobicContact CB-CE2 4.13Å; V360-F362 HydrophobicContact CG1-CD2 4.18Å; V360-F362 HydrophobicContact CG1-CE2 3.53Å; V360-F362 HydrophobicContact CG1-CZ 4.16Å
361R79.5Confident70.7Confident70 Ų7091.3 Ų91.326%0.26446%0.46SS..EExtended strand (participates in β ladder)trans-88.1131.5177-176.7-172.766.282.73.7111.3C9 A11 D41 F254 T363C9-R361 CarbonylContact O-C 3.57Å; C9-R361 VanDerWaalsContact O-CA 3.3Å; C9-R361 WeakPolarHBondContact O-CA 3.27Å; A11-R361 HydrophobicContact CB-CG 4.14Å; D41-R361 IonicContact OD1-CZ 3Å; D41-R361 IonicContact OD1-NE 3.89Å; D41-R361 PolarHBondContact OD1-NE 3.17Å; D41-R361 IonicContact OD1-NH2 2.9Å; D41-R361 PolarHBondContact OD1-NH2 3.39Å; D41-R361 WeakPolarHBondContact OD2-CD 3.4Å; D41-R361 IonicContact OD2-CZ 3.32Å; D41-R361 IonicContact OD2-NE 2.7Å; D41-R361 PolarHBondContact OD2-NE 3.35Å; D41-R361 IonicContact OD2-NH2 2.87Å; F254-R361 VanDerWaalsContact CE1-CD 3.43Å; F254-R361 HydrophobicContact CE1-CG 4.07Å; R361-T363 PolarHBondContact NH1-OG1 2.86Å
362F79Confident68.9Low91 Ų9195.4 Ų95.440%0.39948%0.476SS..EExtended strand (participates in β ladder)trans-109.2138.4168.8-71.1-103.4000109.1M1 L8 C9 A11 V360M1-F362 HydrophobicContact CE-CE2 4.13Å; M1-F362 HydrophobicContact CE-CZ 4.14Å; L8-F362 HydrophobicContact CD1-CD2 3.08Å; L8-F362 HydrophobicContact CD1-CE2 3.08Å; L8-F362 HydrophobicContact CD1-CG 3.93Å; L8-F362 HydrophobicContact CD1-CZ 3.92Å; L8-F362 HydrophobicContact CG-CD2 3.83Å; L8-F362 HydrophobicContact CG-CE2 4.25Å; C9-F362 PolarHBondContact O-N 3.03Å; A11-F362 PolarHBondContact N-O 3.38Å; V360-F362 HydrophobicContact CB-CE2 4.13Å; V360-F362 HydrophobicContact CG1-CD2 4.18Å; V360-F362 HydrophobicContact CG1-CE2 3.53Å; V360-F362 HydrophobicContact CG1-CZ 4.16Å
363T78Confident66.7Low58 Ų5896.9 Ų96.936%0.35649%0.486SS..EExtended strand (participates in β ladder)trans-102.5118.6178-38.10000108.5V13 M43 R361 R365V13-T363 HydrophobicContact CG2-CG2 3.65Å; M43-T363 HydrophobicContact CE-CG2 4.41Å; M43-T363 HydrophobicContact CG-CG2 4.1Å; M43-T363 HydrophobicContact SD-CG2 4.34Å; R361-T363 PolarHBondContact NH1-OG1 2.86Å; T363-R365 PolarHBondContact O-N 3.48Å
364M73.1Confident64.4Low112 Ų112101.7 Ų101.755%0.55252%0.515SS*.EExtended strand (participates in β ladder)trans-73118.8161.9-71.5-176.773.200107.5V10 A11 P366V10-M364 HydrophobicContact CG1-CG 3.56Å; V10-M364 HydrophobicContact CG1-SD 3.59Å; V10-M364 VanDerWaalsContact CG1-SD 3.59Å; A11-M364 PolarHBondContact O-N 2.8Å; M364-P366 WeakPolarHBondContact O-CD 3.42Å
365R60.6Low63.4Low190 Ų190102.8 Ų102.872%0.71752%0.52SS*.  trans-83.1115167.9-72.6176.2176.6-1544.2107T363T363-R365 PolarHBondContact O-N 3.48Å
366P55.2Low62.2Low45 Ų45105.1 Ų105.129%0.29251%0.514SS..  trans-60.1157.8162.1-12.727.9000108.5V13 M364 W368V13-P366 HydrophobicContact CB-CG 4.14Å; M364-P366 WeakPolarHBondContact O-CD 3.42Å; P366-W368 PolarHBondContact O-N 3.13Å
367L47.1Very low61.1Low152 Ų152107.8 Ų107.880%0.79653%0.53SS*.  trans-50.1113.9167.1-73.7155.8000108.1S369L367-S369 PolarHBondContact O-N 2.88Å; L367-S369 PolarHBondContact O-OG 3.06Å
368W52.6Low59.9Low140 Ų140104.4 Ų104.453%0.5352%0.518SS..G310 helixtrans-59.7-3.4-172.6-78.579.4000114.6P366 S370 I371P366-W368 PolarHBondContact O-N 3.13Å; W368-S370 PolarHBondContact O-N 2.9Å; W368-S370 VanDerWaalsContact O-N 3.13Å; W368-I371 HydrophobicContact CE3-CD1 4.09Å; W368-I371 HydrophobicContact CZ3-CD1 4.14Å; W368-I371 PolarHBondContact O-N 3.1Å
369S49.8Very low59Low77 Ų77102.6 Ų102.654%0.53852%0.519SS..G310 helixtrans-56-26.617844.10000113.7L367L367-S369 PolarHBondContact O-N 2.88Å; L367-S369 PolarHBondContact O-OG 3.06Å
370S49.3Very low57.9Low73 Ų73107.9 Ų107.951%0.5155%0.546SS..G310 helixtrans-83.6-18.3-176.9-40.60000114.8W368W368-S370 PolarHBondContact O-N 2.9Å; W368-S370 VanDerWaalsContact O-N 3.13Å
371I52.6Low56.9Low47 Ų47109.7 Ų109.724%0.24155%0.549CS..THydrogen-bonded Turntrans-87.1-14.7-177.7-68.6170.5000111.6L17 W368L17-I371 HydrophobicContact CD1-CD1 4.32Å; L17-I371 HydrophobicContact CD1-CG1 4.02Å; L17-I371 HydrophobicContact CD2-CG1 4.32Å; W368-I371 HydrophobicContact CE3-CD1 4.09Å; W368-I371 HydrophobicContact CZ3-CD1 4.14Å; W368-I371 PolarHBondContact O-N 3.1Å
372I43.5Very low55.2Low142 Ų142112.8 Ų112.873%0.72857%0.571SS**SBendtrans-91.8-2.5-178.7-60.9176.6000111.9
373I40.6Very low53.2Low141 Ų141114.6 Ų114.672%0.72359%0.585SS**  trans-108.7-0.4-174.3-57.6176.8000113
374L36.4Very low51Low198 Ų198119.7 Ų119.7100%1.03761%0.606SS**  trans-109.50168.4-65.4172.6000108.8

Retrieved 374 of 374 residues in 315.3 ms (Link to these results)

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