A0A5K4F0M9_SCHMA Loading...

Proteasome subunit alpha type

AlphaFold DB , UniProt , Accession A0A5K4F0M9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 263 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
1M53.6Low82.3Confident166 Ų16687 Ų8782%0.81841%0.414SS*.  0134.90-158.2171.3-157.400108.4Y6 P15M1-Y6 HydrophobicContact CE-CE2 3.97Å; M1-Y6 WeakPolarHBondContact CE-OH 3.24Å; M1-Y6 HydrophobicContact CG-CE2 4.31Å; M1-Y6 HydrophobicContact SD-CE2 3.94Å; M1-P15 HydrophobicContact CE-CG 4.46Å; M1-P15 HydrophobicContact SD-CG 3.7Å
2F69.6Low83.2Confident162 Ų16284.2 Ų84.271%0.71140%0.402SS*.  trans-77.3122.7-171.2-61.9-76.3000111.6N4 Q5F2-N4 PolarHBondContact O-N 3.37Å; F2-N4 VanDerWaalsContact O-N 3.13Å; F2-Q5 PolarHBondContact O-N 3.45Å
3R69.6Low83.9Confident115 Ų11589.9 Ų89.943%0.43442%0.418SS..G310 helixtrans-51.6-35.3179.3-168.1-176.6-172.2-179.12.1113.4Q5 Y6 E23 Y24R3-Q5 PolarHBondContact O-N 3.4Å; R3-Q5 VanDerWaalsContact O-N 3.11Å; R3-Y6 PolarHBondContact O-N 3.09Å; R3-Y6 VanDerWaalsContact O-N 3.13Å; R3-E23 IonicContact NH2-OE2 2.96Å; R3-E23 PolarHBondContact NH2-OE2 3.15Å; R3-Y24 VanDerWaalsContact CZ-CE1 3.47Å; R3-Y24 PolarHBondContact NE-OH 3.42Å
4N77.3Confident84.6Confident111 Ų11183.9 Ų83.959%0.59439%0.391SS*.G310 helixtrans-62.8-12.8-175.5-165.223.7000114.9F2 H8F2-N4 PolarHBondContact O-N 3.37Å; F2-N4 VanDerWaalsContact O-N 3.13Å; N4-H8 PolarHBondContact O-NE2 2.65Å
5Q85.5Confident85.2Confident116 Ų11683.3 Ų83.354%0.54240%0.397SS..G310 helixtrans-84.8-14.9176.4-70.4-177.8-5.200113.2F2 R3F2-Q5 PolarHBondContact O-N 3.45Å; R3-Q5 PolarHBondContact O-N 3.4Å; R3-Q5 VanDerWaalsContact O-N 3.11Å
6Y91Very high85.7Confident58 Ų5886.2 Ų86.223%0.22741%0.41CS..SBendtrans-12318.1-170.8-62.3-80.2000113.2M1 R3 I12 W13 P15 H20M1-Y6 HydrophobicContact CE-CE2 3.97Å; M1-Y6 WeakPolarHBondContact CE-OH 3.24Å; M1-Y6 HydrophobicContact CG-CE2 4.31Å; M1-Y6 HydrophobicContact SD-CE2 3.94Å; R3-Y6 PolarHBondContact O-N 3.09Å; R3-Y6 VanDerWaalsContact O-N 3.13Å; Y6-I12 HydrophobicContact CD1-CG2 4.12Å; Y6-W13 WeakPolarHBondContact CD1-O 3.4Å; Y6-P15 HydrophobicContact CD2-CG 4.46Å; Y6-P15 HydrophobicContact CE1-CG 4.19Å; Y6-P15 HydrophobicContact CE2-CG 3.84Å; Y6-H20 PolarHBondContact O-ND1 3.39Å
7D92.5Very high86.2Confident20 Ų2083.8 Ų83.811%0.10741%0.413CS..  trans-12212.4-17670.6-8.6000113.8D9 H20 Q21 Y24D7-D9 PolarHBondContact O-N 3.16Å; D7-H20 HydrophobicContact CB-CB 3.59Å; D7-Q21 PolarHBondContact O-NE2 3.29Å; D7-Y24 HydrophobicContact CB-CE2 3.79Å; D7-Y24 PolarHBondContact OD2-OH 3.24Å
8H89.9Confident86.6Confident134 Ų13485.8 Ų85.862%0.6242%0.415SS*.SBendtrans-70.1-27.8-178.7-64.7-55.1000114.5N4 I12N4-H8 PolarHBondContact O-NE2 2.65Å; H8-I12 HydrophobicContact CB-CD1 4.03Å
9D92.3Very high87Confident12 Ų1282.6 Ų82.66%0.06440%0.401CS..  trans-153.9163.2-176-174.466.7000111.9D7 S11 I12 Y123 G124D7-D9 PolarHBondContact O-N 3.16Å; D9-S11 VanDerWaalsContact C-N 3.27Å; D9-S11 PolarHBondContact O-N 3.06Å; D9-S11 VanDerWaalsContact OD2-CB 3.29Å; D9-S11 WeakPolarHBondContact OD2-CB 3.5Å; D9-S11 PolarHBondContact OD2-N 2.99Å; D9-S11 PolarHBondContact OD2-OG 2.83Å; D9-I12 HydrophobicContact CB-CD1 4.16Å; D9-I12 HydrophobicContact CB-CG1 4.34Å; D9-I12 PolarHBondContact O-N 3.36Å; D9-Y123 HydrophobicContact CB-CD2 4.17Å; D9-Y123 HydrophobicContact CB-CE2 4.21Å; D9-Y123 VanDerWaalsContact CG-CD2 3.46Å; D9-Y123 WeakPolarHBondContact OD2-CA 3.41Å; D9-Y123 VanDerWaalsContact OD2-CD2 3.26Å; D9-Y123 WeakPolarHBondContact OD2-CD2 3.45Å; D9-G124 PolarHBondContact OD1-N 3.31Å
10V93Very high87.4Confident2 Ų278.9 Ų78.91%0.01238%0.382CS..THydrogen-bonded Turntrans-69.8-21.2177.8-65.30000113.9I12 I19 Q21 R122 P127V10-I12 VanDerWaalsContact C-N 3.3Å; V10-I19 WeakPolarHBondContact O-CG2 3.29Å; V10-Q21 HydrophobicContact CG1-CB 3.71Å; V10-Q21 HydrophobicContact CG1-CG 4.32Å; V10-R122 WeakPolarHBondContact CG2-O 3.41Å; V10-P127 HydrophobicContact CG1-CG 3.63Å
11S91.2Very high87.7Confident61 Ų6177.4 Ų77.443%0.42738%0.375SS..THydrogen-bonded Turntrans-82.4-6.7177.7620000113.7D9D9-S11 VanDerWaalsContact C-N 3.27Å; D9-S11 PolarHBondContact O-N 3.06Å; D9-S11 VanDerWaalsContact OD2-CB 3.29Å; D9-S11 WeakPolarHBondContact OD2-CB 3.5Å; D9-S11 PolarHBondContact OD2-N 2.99Å; D9-S11 PolarHBondContact OD2-OG 2.83Å
12I92.7Very high89.7Confident53 Ų5370.8 Ų70.827%0.27234%0.342SS..PPolyproline II helixtrans-96.1121-178.6-59172.4000109.5Y6 H8 D9 V10Y6-I12 HydrophobicContact CD1-CG2 4.12Å; H8-I12 HydrophobicContact CB-CD1 4.03Å; D9-I12 HydrophobicContact CB-CD1 4.16Å; D9-I12 HydrophobicContact CB-CG1 4.34Å; D9-I12 PolarHBondContact O-N 3.36Å; V10-I12 VanDerWaalsContact C-N 3.3Å
13W92.8Very high91Very high159 Ų15964.9 Ų64.960%0.60232%0.317SS*.PPolyproline II helixtrans-93.1137.4172.4-66.278000110Y6 G17 I19Y6-W13 WeakPolarHBondContact CD1-O 3.4Å; W13-G17 VanDerWaalsContact CE3-C 3.43Å; W13-G17 VanDerWaalsContact CE3-O 3.32Å; W13-G17 WeakPolarHBondContact CZ3-O 2.93Å; W13-I19 HydrophobicContact CD2-CD1 4.42Å; W13-I19 HydrophobicContact CD2-CG1 3.96Å; W13-I19 HydrophobicContact CE3-CG1 3.97Å; W13-I19 HydrophobicContact CH2-CD1 3.9Å; W13-I19 HydrophobicContact CH2-CG1 4.15Å; W13-I19 HydrophobicContact CZ2-CD1 3.7Å; W13-I19 HydrophobicContact CZ2-CG1 4.12Å; W13-I19 HydrophobicContact CZ3-CD1 4.33Å; W13-I19 HydrophobicContact CZ3-CG1 4.07Å
14S93.1Very high92.2Very high6 Ų663 Ų634%0.04231%0.31CS..PPolyproline II helixtrans-70.2161.7166.760.30000111.3Q16 G17 R18S14-Q16 PolarHBondContact O-N 3.25Å; S14-G17 PolarHBondContact O-N 2.85Å; S14-R18 PolarHBondContact N-O 2.68Å; S14-R18 WeakPolarHBondContact OG-CA 3.49Å; S14-R18 WeakPolarHBondContact OG-CB 3.38Å; S14-R18 PolarHBondContact OG-N 3.22Å; S14-R18 PolarHBondContact OG-O 3.16Å
15P93.5Very high93.1Very high75 Ų7558.1 Ų58.149%0.48729%0.286SS..THydrogen-bonded Turntrans-57.3-19.6174-25.435000114.1M1 Y6 G17M1-P15 HydrophobicContact CE-CG 4.46Å; M1-P15 HydrophobicContact SD-CG 3.7Å; Y6-P15 HydrophobicContact CD2-CG 4.46Å; Y6-P15 HydrophobicContact CE1-CG 4.19Å; Y6-P15 HydrophobicContact CE2-CG 3.84Å; P15-G17 VanDerWaalsContact C-N 3.32Å
16Q93.6Very high93.7Very high129 Ų12955.9 Ų55.960%0.60328%0.276SS*.THydrogen-bonded Turntrans-87.54.8175.5-62.875.332.200113.3S14 R18S14-Q16 PolarHBondContact O-N 3.25Å; Q16-R18 HydrophobicContact CB-CG 4.32Å
17G93.6Very high93.9Very high45 Ų4557 Ų5746%0.46428%0.284SS..SBendtrans71.533-177.800000113.4W13 S14 P15W13-G17 VanDerWaalsContact CE3-C 3.43Å; W13-G17 VanDerWaalsContact CE3-O 3.32Å; W13-G17 WeakPolarHBondContact CZ3-O 2.93Å; S14-G17 PolarHBondContact O-N 2.85Å; P15-G17 VanDerWaalsContact C-N 3.32Å
18R93.5Very high94.1Very high120 Ų12057.4 Ų57.445%0.45329%0.29SS..  trans-116145.8179.4-57.7165.459.3-178-0.8112S14 Q16 E23S14-R18 PolarHBondContact N-O 2.68Å; S14-R18 WeakPolarHBondContact OG-CA 3.49Å; S14-R18 WeakPolarHBondContact OG-CB 3.38Å; S14-R18 PolarHBondContact OG-N 3.22Å; S14-R18 PolarHBondContact OG-O 3.16Å; Q16-R18 HydrophobicContact CB-CG 4.32Å; R18-E23 IonicContact CZ-OE1 2.67Å; R18-E23 IonicContact CZ-OE2 2.9Å; R18-E23 IonicContact NE-OE1 2.68Å; R18-E23 PolarHBondContact NE-OE1 2.76Å; R18-E23 IonicContact NE-OE2 3.68Å; R18-E23 IonicContact NH2-OE1 2.82Å; R18-E23 PolarHBondContact NH2-OE1 3.36Å; R18-E23 IonicContact NH2-OE2 3.16Å; R18-E23 PolarHBondContact NH2-OE2 3.44Å
19I94.2Very high94.5Very high26 Ų2651.2 Ų51.213%0.13326%0.261CS..  trans-103.499.9173.2-56173.1000108.8V10 W13 Q21 I22V10-I19 WeakPolarHBondContact O-CG2 3.29Å; W13-I19 HydrophobicContact CD2-CD1 4.42Å; W13-I19 HydrophobicContact CD2-CG1 3.96Å; W13-I19 HydrophobicContact CE3-CG1 3.97Å; W13-I19 HydrophobicContact CH2-CD1 3.9Å; W13-I19 HydrophobicContact CH2-CG1 4.15Å; W13-I19 HydrophobicContact CZ2-CD1 3.7Å; W13-I19 HydrophobicContact CZ2-CG1 4.12Å; W13-I19 HydrophobicContact CZ3-CD1 4.33Å; W13-I19 HydrophobicContact CZ3-CG1 4.07Å; I19-Q21 VanDerWaalsContact C-N 3.28Å; I19-Q21 HydrophobicContact CG2-CB 4.45Å; I19-Q21 PolarHBondContact O-N 3.26Å; I19-I22 HydrophobicContact CB-CD1 4.03Å; I19-I22 HydrophobicContact CB-CG1 4.26Å; I19-I22 HydrophobicContact CD1-CD1 3.89Å; I19-I22 HydrophobicContact CG2-CB 4.5Å; I19-I22 HydrophobicContact CG2-CD1 3.99Å; I19-I22 HydrophobicContact CG2-CG1 3.87Å; I19-I22 PolarHBondContact O-N 3.02Å
20H95.1Very high94.7Very high8 Ų855.9 Ų55.94%0.03728%0.281CS..Hα-helixtrans-62.3-32-174.3-63.3140.9000113.7Y6 D7 I22 E23 Y24Y6-H20 PolarHBondContact O-ND1 3.39Å; D7-H20 HydrophobicContact CB-CB 3.59Å; H20-I22 VanDerWaalsContact C-N 3.28Å; H20-I22 PolarHBondContact O-N 3.26Å; H20-E23 IonicContact CD2-OE2 3.64Å; H20-E23 WeakPolarHBondContact O-CB 3.48Å; H20-E23 PolarHBondContact O-N 3.32Å; H20-E23 VanDerWaalsContact O-N 3.11Å; H20-Y24 HydrophobicContact CB-CE2 4.23Å; H20-Y24 WeakPolarHBondContact O-CD2 3.05Å; H20-Y24 VanDerWaalsContact O-CG 3.28Å; H20-Y24 PolarHBondContact O-N 2.76Å
21Q95.2Very high94.8Very high48 Ų4862.4 Ų62.422%0.22431%0.311CS..Hα-helixtrans-62-34.2178.5-76.8-64.1-33.900113.2D7 V10 I19 A25 P127D7-Q21 PolarHBondContact O-NE2 3.29Å; V10-Q21 HydrophobicContact CG1-CB 3.71Å; V10-Q21 HydrophobicContact CG1-CG 4.32Å; I19-Q21 VanDerWaalsContact C-N 3.28Å; I19-Q21 HydrophobicContact CG2-CB 4.45Å; I19-Q21 PolarHBondContact O-N 3.26Å; Q21-A25 PolarHBondContact O-N 2.85Å; Q21-A25 VanDerWaalsContact O-N 3.16Å; Q21-P127 HydrophobicContact CB-CG 4.43Å
22I95.7Very high95Very high26 Ų2660.1 Ų60.113%0.13330%0.297CS..Hα-helixtrans-70.3-40.6174.9-62.5176.6000109.9I19 H20 Y24 A25 M26 T120 P127I19-I22 HydrophobicContact CB-CD1 4.03Å; I19-I22 HydrophobicContact CB-CG1 4.26Å; I19-I22 HydrophobicContact CD1-CD1 3.89Å; I19-I22 HydrophobicContact CG2-CB 4.5Å; I19-I22 HydrophobicContact CG2-CD1 3.99Å; I19-I22 HydrophobicContact CG2-CG1 3.87Å; I19-I22 PolarHBondContact O-N 3.02Å; H20-I22 VanDerWaalsContact C-N 3.28Å; H20-I22 PolarHBondContact O-N 3.26Å; I22-Y24 PolarHBondContact O-N 2.86Å; I22-A25 WeakPolarHBondContact O-CB 3.4Å; I22-A25 PolarHBondContact O-N 2.94Å; I22-M26 WeakPolarHBondContact O-CG 3.46Å; I22-M26 PolarHBondContact O-N 2.9Å; I22-T120 HydrophobicContact CD1-CG2 4.26Å; I22-T120 HydrophobicContact CG1-CG2 4.37Å; I22-P127 HydrophobicContact CG1-CG 4.09Å
23E95.5Very high95.1Very high38 Ų3858.2 Ų58.218%0.17829%0.289CS..Hα-helixtrans-62.8-42.8177.4-58.5177.2173.700111.7R3 R18 H20 A25 M26 E27R3-E23 IonicContact NH2-OE2 2.96Å; R3-E23 PolarHBondContact NH2-OE2 3.15Å; R18-E23 IonicContact CZ-OE1 2.67Å; R18-E23 IonicContact CZ-OE2 2.9Å; R18-E23 IonicContact NE-OE1 2.68Å; R18-E23 PolarHBondContact NE-OE1 2.76Å; R18-E23 IonicContact NE-OE2 3.68Å; R18-E23 IonicContact NH2-OE1 2.82Å; R18-E23 PolarHBondContact NH2-OE1 3.36Å; R18-E23 IonicContact NH2-OE2 3.16Å; R18-E23 PolarHBondContact NH2-OE2 3.44Å; H20-E23 IonicContact CD2-OE2 3.64Å; H20-E23 WeakPolarHBondContact O-CB 3.48Å; H20-E23 PolarHBondContact O-N 3.32Å; H20-E23 VanDerWaalsContact O-N 3.11Å; E23-A25 VanDerWaalsContact C-N 3.3Å; E23-A25 PolarHBondContact O-N 3.41Å; E23-M26 CarbonylContact O-C 3.58Å; E23-M26 WeakPolarHBondContact O-CA 3.35Å; E23-M26 WeakPolarHBondContact O-CB 3.38Å; E23-M26 PolarHBondContact O-N 3.26Å; E23-M26 VanDerWaalsContact O-N 3.1Å; E23-E27 WeakPolarHBondContact O-CG 3.36Å; E23-E27 PolarHBondContact O-N 3.3Å
24Y95.4Very high95.3Very high75 Ų7550.7 Ų50.729%0.29426%0.261SS..Hα-helixtrans-60.6-40174.5-61.8-25.6000112R3 D7 H20 I22 M26 E27 A28R3-Y24 VanDerWaalsContact CZ-CE1 3.47Å; R3-Y24 PolarHBondContact NE-OH 3.42Å; D7-Y24 HydrophobicContact CB-CE2 3.79Å; D7-Y24 PolarHBondContact OD2-OH 3.24Å; H20-Y24 HydrophobicContact CB-CE2 4.23Å; H20-Y24 WeakPolarHBondContact O-CD2 3.05Å; H20-Y24 VanDerWaalsContact O-CG 3.28Å; H20-Y24 PolarHBondContact O-N 2.76Å; I22-Y24 PolarHBondContact O-N 2.86Å; Y24-M26 VanDerWaalsContact C-N 3.33Å; Y24-M26 PolarHBondContact O-N 3.45Å; Y24-E27 PolarHBondContact O-N 2.88Å; Y24-A28 PolarHBondContact O-N 3.46Å; Y24-A28 VanDerWaalsContact O-N 3.09Å
25A96.8Very high95.6Very high10 Ų1050.4 Ų50.48%0.08326%0.259CS..Hα-helixtrans-64.6-36.6173.700000112.2Q21 I22 E23 A28 P127 P149Q21-A25 PolarHBondContact O-N 2.85Å; Q21-A25 VanDerWaalsContact O-N 3.16Å; I22-A25 WeakPolarHBondContact O-CB 3.4Å; I22-A25 PolarHBondContact O-N 2.94Å; E23-A25 VanDerWaalsContact C-N 3.3Å; E23-A25 PolarHBondContact O-N 3.41Å; A25-A28 WeakPolarHBondContact O-CB 3.23Å; A25-A28 PolarHBondContact O-N 3.33Å; A25-P127 HydrophobicContact CB-CB 3.89Å; A25-P149 HydrophobicContact CB-CB 3.75Å; A25-P149 HydrophobicContact CB-CG 4.38Å
26M96.3Very high95.8Very high68 Ų6846.9 Ų46.934%0.33524%0.235SC..Hα-helixtrans-68.3-36.2173.1-68.2-174.476.900112.8I22 E23 Y24 A28 V29 K30 P149I22-M26 WeakPolarHBondContact O-CG 3.46Å; I22-M26 PolarHBondContact O-N 2.9Å; E23-M26 CarbonylContact O-C 3.58Å; E23-M26 WeakPolarHBondContact O-CA 3.35Å; E23-M26 WeakPolarHBondContact O-CB 3.38Å; E23-M26 PolarHBondContact O-N 3.26Å; E23-M26 VanDerWaalsContact O-N 3.1Å; Y24-M26 VanDerWaalsContact C-N 3.33Å; Y24-M26 PolarHBondContact O-N 3.45Å; M26-A28 VanDerWaalsContact C-N 3.29Å; M26-A28 PolarHBondContact O-N 3.3Å; M26-V29 WeakPolarHBondContact O-CB 3.41Å; M26-V29 PolarHBondContact O-N 3.14Å; M26-K30 PolarHBondContact O-N 3.42Å; M26-P149 HydrophobicContact CG-CB 4.04Å; M26-P149 HydrophobicContact CG-CG 4.16Å
27E96.4Very high96.1Very high83 Ų8340.7 Ų40.739%0.38821%0.207SC..Hα-helixtrans-63.1-36.4173.1-70.4-53132.100111.7E23 Y24 V29 K30 Q31E23-E27 WeakPolarHBondContact O-CG 3.36Å; E23-E27 PolarHBondContact O-N 3.3Å; Y24-E27 PolarHBondContact O-N 2.88Å; E27-V29 PolarHBondContact O-N 3.3Å; E27-K30 WeakPolarHBondContact O-CB 3.44Å; E27-K30 PolarHBondContact O-N 2.9Å; E27-K30 WeakPolarHBondContact OE1-CE 3.24Å; E27-K30 IonicContact OE1-NZ 3.73Å; E27-K30 PolarHBondContact OE1-NZ 2.94Å; E27-K30 WeakPolarHBondContact OE2-CD 3.49Å; E27-K30 IonicContact OE2-NZ 3.27Å; E27-Q31 PolarHBondContact O-N 3.31Å
28A96.6Very high96.3Very high28 Ų2838.6 Ų38.623%0.23119%0.185CC..Hα-helixtrans-58.7-36.6174.400000112.2Y24 A25 M26 K30 Q31 G32 G76Y24-A28 PolarHBondContact O-N 3.46Å; Y24-A28 VanDerWaalsContact O-N 3.09Å; A25-A28 WeakPolarHBondContact O-CB 3.23Å; A25-A28 PolarHBondContact O-N 3.33Å; M26-A28 VanDerWaalsContact C-N 3.29Å; M26-A28 PolarHBondContact O-N 3.3Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.44Å; A28-Q31 PolarHBondContact O-N 3.34Å; A28-G32 PolarHBondContact O-N 3.48Å; A28-G76 WeakPolarHBondContact O-CA 3.36Å
29V97.8Very high96.6Very high4 Ų434.5 Ų34.52%0.02417%0.17CC..Hα-helixtrans-61.7-42.5175.1-174.70000110.8M26 E27 Q31 G32 S75 G131 P149 I161 G162M26-V29 WeakPolarHBondContact O-CB 3.41Å; M26-V29 PolarHBondContact O-N 3.14Å; E27-V29 PolarHBondContact O-N 3.3Å; V29-Q31 PolarHBondContact O-N 3.44Å; V29-G32 PolarHBondContact O-N 2.99Å; V29-G32 VanDerWaalsContact O-N 3.15Å; V29-S75 PolarHBondContact O-OG 2.98Å; V29-G131 VanDerWaalsContact CG2-N 3.29Å; V29-P149 HydrophobicContact CG2-CG 3.5Å; V29-I161 HydrophobicContact CG1-CB 4.4Å; V29-G162 WeakPolarHBondContact O-CA 3.34Å
30K96.5Very high96.8Very high109 Ų10933.9 Ų33.947%0.47417%0.167SC..Hα-helixtrans-64.9-24.7179.3-62.5177.9-173.6168.90112.9M26 E27 A28 G162 S163M26-K30 PolarHBondContact O-N 3.42Å; E27-K30 WeakPolarHBondContact O-CB 3.44Å; E27-K30 PolarHBondContact O-N 2.9Å; E27-K30 WeakPolarHBondContact OE1-CE 3.24Å; E27-K30 IonicContact OE1-NZ 3.73Å; E27-K30 PolarHBondContact OE1-NZ 2.94Å; E27-K30 WeakPolarHBondContact OE2-CD 3.49Å; E27-K30 IonicContact OE2-NZ 3.27Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.44Å; K30-G162 CarbonylContact O-C 3.58Å; K30-S163 WeakPolarHBondContact O-CA 3.46Å; K30-S163 PolarHBondContact O-N 3.44Å; K30-S163 VanDerWaalsContact O-N 3.12Å
31Q94.7Very high96.8Very high140 Ų14038.8 Ų38.865%0.65419%0.19SC*.Hα-helixtrans-83.1-21.1176.3-60.2-57.7-27.500113.5E27 A28 V29E27-Q31 PolarHBondContact O-N 3.31Å; A28-Q31 PolarHBondContact O-N 3.34Å; V29-Q31 PolarHBondContact O-N 3.44Å
32G95.4Very high96.9Very high13 Ų1339.7 Ų39.713%0.13420%0.196CC..SBendtrans-67157.5175.200000112.7A28 V29 S75 G162 S163A28-G32 PolarHBondContact O-N 3.48Å; V29-G32 PolarHBondContact O-N 2.99Å; V29-G32 VanDerWaalsContact O-N 3.15Å; G32-S75 VanDerWaalsContact C-OG 3.32Å; G32-S75 WeakPolarHBondContact CA-OG 3.49Å; G32-S75 PolarHBondContact O-OG 3.3Å; G32-G162 CarbonylContact O-C 3.52Å; G32-G162 WeakPolarHBondContact O-CA 3.32Å; G32-S163 VanDerWaalsContact O-CB 3.31Å; G32-S163 WeakPolarHBondContact O-CB 3.17Å; G32-S163 PolarHBondContact O-N 2.9Å
33S95.6Very high97.1Very high13 Ų1341.4 Ų41.49%0.09120%0.201CC..PPolyproline II helixtrans-61.4154.9177.1-22.90000112.4L49 R51 K62 S75S33-L49 WeakPolarHBondContact CB-O 3.36Å; S33-R51 VanDerWaalsContact OG-CD 3.22Å; S33-R51 WeakPolarHBondContact OG-CD 3.26Å; S33-R51 WeakPolarHBondContact OG-CG 3.45Å; S33-K62 VanDerWaalsContact C-NZ 3.32Å; S33-K62 VanDerWaalsContact CB-NZ 3.32Å; S33-K62 PolarHBondContact O-NZ 3.02Å; S33-K62 WeakPolarHBondContact OG-CE 3.29Å; S33-S75 PolarHBondContact O-OG 3.13Å
34A97.7Very high97.2Very high1 Ų139.6 Ų39.61%0.00819%0.193CC..PPolyproline II helixtrans-63.3145-17900000112.7L49 I161 L195 T198A34-L49 HydrophobicContact CB-CB 4.49Å; A34-L49 PolarHBondContact O-N 3.48Å; A34-I161 WeakPolarHBondContact CA-O 3.47Å; A34-L195 HydrophobicContact CB-CD1 3.94Å; A34-T198 HydrophobicContact CB-CG2 3.9Å; A34-T198 VanDerWaalsContact CB-OG1 3.29Å; A34-T198 WeakPolarHBondContact CB-OG1 3.44Å
35A98.5Very high97.4Very high0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-143.1145.3165.800000108.8V47 A48 A73 L133 A160 I161A35-V47 CarbonylContact C-O 3.53Å; A35-V47 WeakPolarHBondContact CA-O 3.34Å; A35-A48 HydrophobicContact CB-CB 4.21Å; A35-A73 HydrophobicContact CB-CB 3.92Å; A35-L133 HydrophobicContact CB-CD1 3.87Å; A35-A160 WeakPolarHBondContact O-CA 3.3Å; A35-I161 HydrophobicContact CB-CG1 4.37Å; A35-I161 PolarHBondContact N-O 2.98Å; A35-I161 PolarHBondContact O-N 2.72Å
36V98.8Very high97.5Very high0 Ų035.5 Ų35.50%018%0.175CC..EExtended strand (participates in β ladder)trans-129.6137.9-178.9-172.30000108.4L38 I46 V47 I159 A160 A168 L172 A194 L195V36-L38 HydrophobicContact CG1-CD2 4.29Å; V36-I46 CarbonylContact O-C 3.56Å; V36-I46 WeakPolarHBondContact O-CA 3.32Å; V36-V47 HydrophobicContact CB-CG2 3.76Å; V36-V47 HydrophobicContact CG2-CG2 4.37Å; V36-V47 PolarHBondContact N-O 2.92Å; V36-V47 PolarHBondContact O-N 2.95Å; V36-I159 WeakPolarHBondContact CA-O 3.49Å; V36-A160 HydrophobicContact CG1-CB 4.39Å; V36-A160 HydrophobicContact CG2-CB 3.93Å; V36-A168 HydrophobicContact CG2-CB 4.06Å; V36-L172 HydrophobicContact CG1-CD1 3.76Å; V36-L172 HydrophobicContact CG1-CD2 4.32Å; V36-L172 HydrophobicContact CG1-CG 4.44Å; V36-A194 HydrophobicContact CG1-CB 4.05Å; V36-A194 HydrophobicContact CG2-CB 4.33Å; V36-L195 HydrophobicContact CG2-CB 4.26Å; V36-L195 HydrophobicContact CG2-CD1 4.17Å
37A98.9Very high97.6Very high0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-133.4142.5172.300000110.2I45 I46 L133 V144 C158 I159A37-I45 VanDerWaalsContact CA-O 3.22Å; A37-I45 WeakPolarHBondContact CA-O 3.32Å; A37-I46 HydrophobicContact CB-CG1 4.26Å; A37-L133 HydrophobicContact CB-CB 4.16Å; A37-L133 HydrophobicContact CB-CD1 3.78Å; A37-L133 HydrophobicContact CB-CG 4.47Å; A37-V144 HydrophobicContact CB-CG1 3.54Å; A37-V144 HydrophobicContact CB-CG2 4.25Å; A37-C158 CarbonylContact O-C 3.55Å; A37-C158 WeakPolarHBondContact O-CA 3.5Å; A37-I159 HydrophobicContact CB-CG2 4.47Å; A37-I159 PolarHBondContact N-O 3.36Å; A37-I159 PolarHBondContact O-N 2.88Å
38L98.7Very high97.7Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-156156.2-178.262169000110.3V36 A44 I45 C158 L172 F179 L187 H190V36-L38 HydrophobicContact CG1-CD2 4.29Å; L38-A44 WeakPolarHBondContact O-CA 3.31Å; L38-I45 HydrophobicContact CD2-CD1 3.75Å; L38-I45 HydrophobicContact CD2-CG1 3.53Å; L38-I45 HydrophobicContact CG-CD1 4.19Å; L38-I45 HydrophobicContact CG-CG1 3.92Å; L38-I45 PolarHBondContact N-O 3.49Å; L38-I45 PolarHBondContact O-N 2.94Å; L38-C158 HydrophobicContact CB-CB 3.72Å; L38-L172 HydrophobicContact CD1-CD2 4.17Å; L38-F179 HydrophobicContact CD1-CD1 4.35Å; L38-F179 HydrophobicContact CD1-CE1 4.32Å; L38-F179 HydrophobicContact CD1-CZ 4.42Å; L38-L187 HydrophobicContact CB-CD1 4.45Å; L38-L187 HydrophobicContact CD1-CD1 3.65Å; L38-L187 HydrophobicContact CD1-CG 4.27Å; L38-L187 HydrophobicContact CG-CD1 3.8Å; L38-L187 HydrophobicContact CG-CG 4.2Å; L38-H190 HydrophobicContact CD1-CB 3.97Å
39K98.5Very high97.7Very high35 Ų3527.4 Ų27.415%0.15213%0.132CC..EExtended strand (participates in β ladder)trans-135.9146.2-177.460.3-177.1-176.2-165.90112.5Y43 A44 P142 V144 D155 C156 K157K39-Y43 VanDerWaalsContact CA-O 3.31Å; K39-Y43 WeakPolarHBondContact CA-O 3.11Å; K39-Y43 WeakPolarHBondContact CB-O 3.12Å; K39-A44 HydrophobicContact CB-CB 3.86Å; K39-P142 HydrophobicContact CB-CB 4.33Å; K39-P142 WeakPolarHBondContact CD-O 3.39Å; K39-V144 HydrophobicContact CB-CG2 3.95Å; K39-V144 HydrophobicContact CD-CB 4.34Å; K39-V144 HydrophobicContact CD-CG2 4.24Å; K39-V144 HydrophobicContact CG-CG2 4.16Å; K39-D155 IonicContact NZ-OD1 3.4Å; K39-D155 PolarHBondContact NZ-OD1 3.29Å; K39-C156 WeakPolarHBondContact CE-O 3.48Å; K39-C156 PolarHBondContact NZ-O 3.34Å; K39-K157 PolarHBondContact N-O 2.97Å; K39-K157 VanDerWaalsContact N-O 3.16Å
40N97.9Very high97.6Very high12 Ų1227.6 Ų27.66%0.06413%0.132CC..  trans-104.1-157.716372.91.5000109.7D42 Y43 P142 F179 S182 L187N40-D42 VanDerWaalsContact C-N 3.35Å; N40-D42 PolarHBondContact OD1-N 3.36Å; N40-Y43 PolarHBondContact N-O 2.85Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.45Å; N40-Y43 PolarHBondContact OD1-N 2.99Å; N40-Y43 PolarHBondContact OD1-O 3.26Å; N40-Y43 VanDerWaalsContact OD1-O 3.13Å; N40-P142 VanDerWaalsContact O-CG 3.29Å; N40-P142 WeakPolarHBondContact O-CG 3.42Å; N40-F179 WeakPolarHBondContact CA-O 3.11Å; N40-F179 WeakPolarHBondContact CB-O 3.31Å; N40-S182 PolarHBondContact ND2-O 3.47Å; N40-L187 HydrophobicContact CB-CD1 4.28Å; N40-L187 HydrophobicContact CB-CD2 4.14Å
41H96.8Very high97.5Very high112 Ų11226.8 Ų26.852%0.51913%0.126SC..SBendtrans-70.9-23.9178.1-79-55.9000115.2P142 K180H41-P142 WeakPolarHBondContact O-CD 3.38Å; H41-K180 PolarHBondContact CD2-O 3.27Å; H41-K180 PolarHBondContact N-O 2.68Å
42D97.4Very high97.3Very high67 Ų6721.6 Ų21.636%0.35811%0.107SC..SBendtrans-123.1-26.2-167.6-62.1-53.4000113.8N40 G216 K217N40-D42 VanDerWaalsContact C-N 3.35Å; N40-D42 PolarHBondContact OD1-N 3.36Å; D42-G216 WeakPolarHBondContact O-CA 3.33Å; D42-K217 PolarHBondContact O-N 3.26Å; D42-K217 IonicContact OD1-NZ 3.45Å; D42-K217 PolarHBondContact OD1-NZ 3.44Å
43Y98.4Very high97Very high61 Ų6126.7 Ų26.724%0.23914%0.138CC..EExtended strand (participates in β ladder)trans-130.8149.1-173.9-56.5-82.9000111.6K39 N40 L184 I214 V215 M219K39-Y43 VanDerWaalsContact CA-O 3.31Å; K39-Y43 WeakPolarHBondContact CA-O 3.11Å; K39-Y43 WeakPolarHBondContact CB-O 3.12Å; N40-Y43 PolarHBondContact N-O 2.85Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.45Å; N40-Y43 PolarHBondContact OD1-N 2.99Å; N40-Y43 PolarHBondContact OD1-O 3.26Å; N40-Y43 VanDerWaalsContact OD1-O 3.13Å; Y43-L184 HydrophobicContact CD1-CD1 4.24Å; Y43-L184 HydrophobicContact CD1-CD2 4.45Å; Y43-L184 HydrophobicContact CD2-CB 4.19Å; Y43-L184 HydrophobicContact CD2-CD1 4.27Å; Y43-L184 HydrophobicContact CE1-CD2 4.32Å; Y43-L184 HydrophobicContact CE2-CB 4.25Å; Y43-L184 HydrophobicContact CG-CD1 3.92Å; Y43-I214 HydrophobicContact CD1-CG2 4.18Å; Y43-V215 CarbonylContact C-O 3.58Å; Y43-V215 VanDerWaalsContact CA-O 3.26Å; Y43-V215 WeakPolarHBondContact CA-O 3.27Å; Y43-M219 HydrophobicContact CE1-CB 4.4Å
44A98.7Very high96.8Very high0 Ų029.1 Ų29.10%016%0.155CC..EExtended strand (participates in β ladder)trans-124.1144.2162.300000109.2L38 K39 T135 P142 V144 V215L38-A44 WeakPolarHBondContact O-CA 3.31Å; K39-A44 HydrophobicContact CB-CB 3.86Å; A44-T135 HydrophobicContact CB-CG2 3.31Å; A44-P142 HydrophobicContact CB-CB 3.89Å; A44-V144 HydrophobicContact CB-CG2 3.95Å; A44-V215 HydrophobicContact CB-CG1 4.17Å; A44-V215 PolarHBondContact N-O 2.8Å; A44-V215 WeakPolarHBondContact O-CG1 3.37Å; A44-V215 PolarHBondContact O-N 3.01Å
45I98.7Very high96.4Very high0 Ų038.8 Ų38.80%020%0.2CC..EExtended strand (participates in β ladder)trans-130.7155-178.269.5171.5000111.4A37 L38 L184 L187 I188 L212 A213 I214A37-I45 VanDerWaalsContact CA-O 3.22Å; A37-I45 WeakPolarHBondContact CA-O 3.32Å; L38-I45 HydrophobicContact CD2-CD1 3.75Å; L38-I45 HydrophobicContact CD2-CG1 3.53Å; L38-I45 HydrophobicContact CG-CD1 4.19Å; L38-I45 HydrophobicContact CG-CG1 3.92Å; L38-I45 PolarHBondContact N-O 3.49Å; L38-I45 PolarHBondContact O-N 2.94Å; I45-L184 HydrophobicContact CG2-CD1 4.16Å; I45-L187 HydrophobicContact CD1-CD2 4.43Å; I45-L187 HydrophobicContact CD1-CG 3.98Å; I45-L187 WeakPolarHBondContact CD1-O 3.45Å; I45-L187 HydrophobicContact CG1-CD2 4.27Å; I45-L187 HydrophobicContact CG1-CG 4.23Å; I45-L187 HydrophobicContact CG2-CD2 4.1Å; I45-I188 VanDerWaalsContact CD1-CA 3.5Å; I45-I188 HydrophobicContact CD1-CB 4.31Å; I45-I188 HydrophobicContact CD1-CG1 3.92Å; I45-I188 HydrophobicContact CG2-CG1 4.38Å; I45-L212 HydrophobicContact CB-CD1 4.36Å; I45-A213 CarbonylContact C-O 3.55Å; I45-A213 WeakPolarHBondContact CA-O 3.45Å; I45-A213 WeakPolarHBondContact CB-O 3.47Å; I45-I214 HydrophobicContact CG2-CB 4.31Å; I45-I214 HydrophobicContact CG2-CG1 4Å; I45-I214 HydrophobicContact CG2-CG2 4.11Å
46I98.7Very high96.1Very high0 Ų047 Ų470%024%0.243CC..EExtended strand (participates in β ladder)trans-122.6133.6167.1-56.9-178.8000108V36 A37 I63 A73 T135 L212 A213 F221V36-I46 CarbonylContact O-C 3.56Å; V36-I46 WeakPolarHBondContact O-CA 3.32Å; A37-I46 HydrophobicContact CB-CG1 4.26Å; I46-I63 HydrophobicContact CB-CD1 4.12Å; I46-I63 HydrophobicContact CG2-CD1 3.87Å; I46-I63 HydrophobicContact CG2-CG1 4.2Å; I46-A73 HydrophobicContact CD1-CB 4.22Å; I46-A73 HydrophobicContact CG2-CB 3.5Å; I46-A73 VanDerWaalsContact CG2-CB 3.5Å; I46-T135 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T135 VanDerWaalsContact CG1-CB 3.48Å; I46-T135 HydrophobicContact CG1-CG2 3.98Å; I46-T135 WeakPolarHBondContact CG1-OG1 3.35Å; I46-L212 CarbonylContact O-C 3.58Å; I46-L212 WeakPolarHBondContact O-CA 3.47Å; I46-A213 PolarHBondContact N-O 2.85Å; I46-A213 PolarHBondContact O-N 3.07Å; I46-F221 HydrophobicContact CD1-CE2 4.4Å; I46-F221 HydrophobicContact CD1-CZ 4.38Å
47V98.6Very high95.8Very high0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-119.6135.3162.4-64.20000109.9A35 V36 G191 L192 L195 S211 L212A35-V47 CarbonylContact C-O 3.53Å; A35-V47 WeakPolarHBondContact CA-O 3.34Å; V36-V47 HydrophobicContact CB-CG2 3.76Å; V36-V47 HydrophobicContact CG2-CG2 4.37Å; V36-V47 PolarHBondContact N-O 2.92Å; V36-V47 PolarHBondContact O-N 2.95Å; V47-G191 WeakPolarHBondContact CG2-O 3.42Å; V47-L192 HydrophobicContact CG1-CD2 4.04Å; V47-L192 HydrophobicContact CG1-CG 4.43Å; V47-L195 HydrophobicContact CB-CD2 4.02Å; V47-L195 HydrophobicContact CG2-CB 3.87Å; V47-L195 HydrophobicContact CG2-CD2 4.11Å; V47-L195 HydrophobicContact CG2-CG 4.46Å; V47-S211 CarbonylContact C-O 3.46Å; V47-S211 VanDerWaalsContact CA-O 3.31Å; V47-S211 WeakPolarHBondContact CA-O 3.47Å; V47-L212 HydrophobicContact CG1-CB 4.41Å; V47-L212 HydrophobicContact CG1-CD1 3.55Å
48A98.4Very high95.5Very high0 Ų054 Ų540%029%0.291CS..EExtended strand (participates in β ladder)trans-135141.5-174.300000112A35 K62 I63 S211A35-A48 HydrophobicContact CB-CB 4.21Å; A48-K62 HydrophobicContact CB-CB 3.91Å; A48-K62 HydrophobicContact CB-CD 4.31Å; A48-I63 HydrophobicContact CB-CD1 4.3Å; A48-I63 HydrophobicContact CB-CG1 4.01Å; A48-S211 PolarHBondContact N-O 3.09Å; A48-S211 PolarHBondContact O-N 2.9Å
49L97.5Very high95.2Very high9 Ų958 Ų585%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-87.6108.6174.1-179.166.6000110.2S33 A34 K62 L195 L199 L205 N209S33-L49 WeakPolarHBondContact CB-O 3.36Å; A34-L49 HydrophobicContact CB-CB 4.49Å; A34-L49 PolarHBondContact O-N 3.48Å; L49-K62 WeakPolarHBondContact O-CD 3.28Å; L49-L195 HydrophobicContact CB-CD1 4.1Å; L49-L199 HydrophobicContact CD1-CD2 3.69Å; L49-L199 HydrophobicContact CD2-CD2 3.55Å; L49-L199 HydrophobicContact CG-CD2 4.27Å; L49-L205 HydrophobicContact CD1-CD2 4.38Å; L49-N209 CarbonylContact C-O 3.54Å; L49-N209 WeakPolarHBondContact CA-O 3.39Å; L49-N209 HydrophobicContact CD1-CB 4.19Å
50K96.3Very high94.9Very high7 Ų760.1 Ų60.13%0.0332%0.318CS..  trans-71.2140.1167.6-56-169.4-83.4179.50109.1Y59 K208 N209 C210 E225 D226K50-Y59 HydrophobicContact CB-CD1 3.77Å; K50-Y59 HydrophobicContact CB-CG 4.32Å; K50-K208 WeakPolarHBondContact CE-O 3.48Å; K50-N209 PolarHBondContact N-O 3.35Å; K50-C210 VanDerWaalsContact CE-O 3.3Å; K50-C210 WeakPolarHBondContact CE-O 3.37Å; K50-E225 IonicContact NZ-OE2 3.59Å; K50-E225 PolarHBondContact NZ-OE2 3.12Å; K50-D226 IonicContact NZ-OD1 2.68Å; K50-D226 PolarHBondContact NZ-OD1 3.44Å; K50-D226 VanDerWaalsContact NZ-OD1 3.16Å
51R92.7Very high94.7Very high92 Ų9265.3 Ų65.335%0.34734%0.341SS..  trans-121.2143.3174.2-73.6-174.8-179.2167.9-2.6109.4S33 Q60 S163S33-R51 VanDerWaalsContact OG-CD 3.22Å; S33-R51 WeakPolarHBondContact OG-CD 3.26Å; S33-R51 WeakPolarHBondContact OG-CG 3.45Å; R51-Q60 PolarHBondContact O-N 3.29Å; R51-S163 VanDerWaalsContact NH2-CB 3.32Å; R51-S163 PolarHBondContact NH2-OG 3.23Å
52A91.9Very high94.6Very high31 Ų3160.4 Ų60.426%0.25632%0.319SS..  trans-114.4130.9166.900000108.2S54 Y59A52-S54 PolarHBondContact O-N 3.36Å; A52-Y59 HydrophobicContact CB-CD1 4.15Å; A52-Y59 HydrophobicContact CB-CD2 4.15Å; A52-Y59 HydrophobicContact CB-CE1 4.17Å; A52-Y59 HydrophobicContact CB-CE2 4.16Å; A52-Y59 HydrophobicContact CB-CG 4.16Å
53P89.1Confident94.6Very high121 Ų12157.5 Ų57.579%0.78630%0.303SS*.SBendtrans-60.3-29.2176.3-2633.3000114.3
54S91.4Very high94.6Very high63 Ų6355.7 Ų55.744%0.44130%0.297SS..SBendtrans-153.4167177.866.80000109.6A52 L56 S57A52-S54 PolarHBondContact O-N 3.36Å; S54-L56 PolarHBondContact O-N 2.97Å; S54-S57 WeakPolarHBondContact O-CB 3.26Å; S54-S57 PolarHBondContact O-N 3.19Å
55E88.5Confident94.6Very high204 Ų20459.3 Ų59.395%0.95331%0.314SS*.THydrogen-bonded Turntrans-62.2-24.1175.7-61.7-179171.400113.3S57E55-S57 VanDerWaalsContact C-N 3.26Å
56L92.5Very high94.6Very high173 Ų17359.8 Ų59.891%0.90632%0.317SS*.THydrogen-bonded Turntrans-84.2-1.6177-57.8178.5000112.8S54S54-L56 PolarHBondContact O-N 2.97Å
57S92.1Very high94.6Very high46 Ų4660.4 Ų60.432%0.32232%0.32SS..SBendtrans-106.2146.1-177.6-163.20000110.9S54 E55S54-S57 WeakPolarHBondContact O-CB 3.26Å; S54-S57 PolarHBondContact O-N 3.19Å; E55-S57 VanDerWaalsContact C-N 3.26Å
58S92.1Very high94.6Very high100 Ų10063.1 Ų63.170%0.69934%0.335SS*.PPolyproline II helixtrans-68.9151.117155.30000111Q60S58-Q60 PolarHBondContact O-N 2.87Å
59Y93.1Very high94.6Very high86 Ų8664 Ų6434%0.33734%0.339SS..PPolyproline II helixtrans-68.3131.5172.3-81.1-93.7000109.9K50 A52 E61 K208 N209K50-Y59 HydrophobicContact CB-CD1 3.77Å; K50-Y59 HydrophobicContact CB-CG 4.32Å; A52-Y59 HydrophobicContact CB-CD1 4.15Å; A52-Y59 HydrophobicContact CB-CD2 4.15Å; A52-Y59 HydrophobicContact CB-CE1 4.17Å; A52-Y59 HydrophobicContact CB-CE2 4.16Å; A52-Y59 HydrophobicContact CB-CG 4.16Å; Y59-E61 PolarHBondContact O-N 3.22Å; Y59-K208 WeakPolarHBondContact CD1-O 3.42Å; Y59-K208 HydrophobicContact CD2-CB 3.88Å; Y59-K208 HydrophobicContact CE2-CB 3.53Å; Y59-K208 HydrophobicContact CE2-CD 4.18Å; Y59-K208 HydrophobicContact CE2-CG 4.45Å; Y59-N209 HydrophobicContact CD1-CB 4.25Å; Y59-N209 HydrophobicContact CE1-CB 3.61Å
60Q92.2Very high94.6Very high78 Ų7863.6 Ų63.636%0.36434%0.337SS..PPolyproline II helixtrans-77.2118.4179.4-168.1-169.7-37.400110.8R51 S58 T78R51-Q60 PolarHBondContact O-N 3.29Å; S58-Q60 PolarHBondContact O-N 2.87Å; Q60-T78 PolarHBondContact NE2-OG1 3.45Å
61E93.6Very high94.7Very high121 Ų12163.3 Ų63.357%0.56534%0.335SS*.PPolyproline II helixtrans-56.8140.5170.6-66.3174.717800111.9Y59Y59-E61 PolarHBondContact O-N 3.22Å
62K95Very high95Very high9 Ų958.9 Ų58.94%0.03932%0.319CS..  trans-124-31-176.6-81.5-152.1157.2-140.50114.7S33 A48 L49 A73 I74S33-K62 VanDerWaalsContact C-NZ 3.32Å; S33-K62 VanDerWaalsContact CB-NZ 3.32Å; S33-K62 PolarHBondContact O-NZ 3.02Å; S33-K62 WeakPolarHBondContact OG-CE 3.29Å; A48-K62 HydrophobicContact CB-CB 3.91Å; A48-K62 HydrophobicContact CB-CD 4.31Å; L49-K62 WeakPolarHBondContact O-CD 3.28Å; K62-A73 WeakPolarHBondContact O-CA 3.48Å; K62-I74 PolarHBondContact NZ-O 2.89Å; K62-I74 PolarHBondContact O-N 2.98Å
63I98.4Very high95.3Very high6 Ų657.4 Ų57.43%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-89.7129.9178.4-53-173.6000107.7I46 A48 V72 A73 S211 A213 F221 I223I46-I63 HydrophobicContact CB-CD1 4.12Å; I46-I63 HydrophobicContact CG2-CD1 3.87Å; I46-I63 HydrophobicContact CG2-CG1 4.2Å; A48-I63 HydrophobicContact CB-CD1 4.3Å; A48-I63 HydrophobicContact CB-CG1 4.01Å; I63-V72 CarbonylContact C-O 3.6Å; I63-V72 VanDerWaalsContact CA-O 3.32Å; I63-V72 WeakPolarHBondContact CA-O 3.45Å; I63-A73 HydrophobicContact CG1-CB 4.41Å; I63-S211 VanDerWaalsContact CD1-OG 3.25Å; I63-S211 WeakPolarHBondContact CD1-OG 3.41Å; I63-A213 HydrophobicContact CD1-CB 3.8Å; I63-A213 HydrophobicContact CG2-CB 3.8Å; I63-F221 HydrophobicContact CG2-CE1 3.83Å; I63-F221 HydrophobicContact CG2-CZ 3.61Å; I63-I223 HydrophobicContact CB-CD1 4.33Å; I63-I223 HydrophobicContact CB-CG2 4.44Å; I63-I223 HydrophobicContact CG2-CD1 3.92Å; I63-I223 HydrophobicContact CG2-CG1 4.11Å
64I98.3Very high95.8Very high24 Ų2451.8 Ų51.812%0.12327%0.27CS..EExtended strand (participates in β ladder)trans-125.6115.5-179-56.8175.7000106.9I66 G71 V72 I74 R82I64-I66 HydrophobicContact CG2-CD1 4.25Å; I64-I66 PolarHBondContact O-N 3.4Å; I64-G71 WeakPolarHBondContact O-CA 3.12Å; I64-V72 HydrophobicContact CB-CG2 3.94Å; I64-V72 PolarHBondContact N-O 3.1Å; I64-V72 PolarHBondContact O-N 2.87Å; I64-I74 HydrophobicContact CD1-CD1 4.14Å; I64-R82 HydrophobicContact CD1-CG 4.26Å
65Q98.5Very high96.1Very high75 Ų7548.9 Ų48.935%0.3525%0.249SC..EExtended strand (participates in β ladder)trans-65.1130.6170.3-175.3179.7-6.300109.8D67 R89 F221 I223Q65-D67 WeakPolarHBondContact CG-O 3.2Å; Q65-R89 VanDerWaalsContact O-CZ 3.26Å; Q65-R89 PolarHBondContact O-NE 3.19Å; Q65-R89 PolarHBondContact O-NH2 3.12Å; Q65-F221 HydrophobicContact CB-CD1 4.03Å; Q65-F221 HydrophobicContact CB-CE1 4.31Å; Q65-F221 HydrophobicContact CG-CD1 3.91Å; Q65-I223 HydrophobicContact CB-CD1 4.29Å
66I98.6Very high96.5Very high11 Ų1140 Ų406%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-100.2-45.9177.8-62.5-51000110.2I64 V70 V72 M88 R89 L108I64-I66 HydrophobicContact CG2-CD1 4.25Å; I64-I66 PolarHBondContact O-N 3.4Å; I66-V70 WeakPolarHBondContact CA-O 3.21Å; I66-V70 HydrophobicContact CB-CG1 4.1Å; I66-V70 WeakPolarHBondContact CB-O 3.38Å; I66-V70 HydrophobicContact CG2-CG1 4.09Å; I66-V70 PolarHBondContact N-O 3.02Å; I66-V72 HydrophobicContact CD1-CG1 4.37Å; I66-V72 HydrophobicContact CD1-CG2 3.92Å; I66-V72 HydrophobicContact CG1-CG1 3.8Å; I66-V72 HydrophobicContact CG1-CG2 4.11Å; I66-M88 HydrophobicContact CD1-CB 4Å; I66-M88 HydrophobicContact CD1-SD 4.26Å; I66-M88 HydrophobicContact CG1-CB 4.2Å; I66-M88 HydrophobicContact CG1-CE 4.2Å; I66-M88 HydrophobicContact CG1-SD 4.28Å; I66-M88 HydrophobicContact CG2-CB 3.52Å; I66-R89 HydrophobicContact CD1-CG 4.38Å; I66-R89 HydrophobicContact CG2-CG 4.34Å; I66-R89 VanDerWaalsContact O-CG 3.3Å; I66-R89 WeakPolarHBondContact O-CG 3.48Å; I66-L108 HydrophobicContact CG2-CD2 4.45Å
67D98.2Very high96.6Very high13 Ų1335.7 Ų35.77%0.0719%0.19CC..EExtended strand (participates in β ladder)trans-152.7-179.9176-159.9-1.9000108.4Q65 H69 V70 C92 R96Q65-D67 WeakPolarHBondContact CG-O 3.2Å; D67-H69 PolarHBondContact O-N 3.36Å; D67-H69 VanDerWaalsContact O-N 3.15Å; D67-H69 IonicContact OD2-CE1 2.79Å; D67-H69 PolarHBondContact OD2-CE1 2.93Å; D67-H69 IonicContact OD2-ND1 2.63Å; D67-V70 HydrophobicContact CB-CG1 3.94Å; D67-V70 PolarHBondContact N-O 3.29Å; D67-V70 PolarHBondContact O-N 3.28Å; D67-C92 HydrophobicContact CB-CB 4.04Å; D67-C92 WeakPolarHBondContact OD2-CB 3.43Å; D67-R96 IonicContact OD1-CZ 3.54Å; D67-R96 VanDerWaalsContact OD1-CZ 3.27Å; D67-R96 IonicContact OD1-NH1 2.74Å; D67-R96 PolarHBondContact OD1-NH1 3.36Å; D67-R96 IonicContact OD1-NH2 2.73Å; D67-R96 PolarHBondContact OD1-NH2 2.96Å; D67-R96 IonicContact OD2-CZ 3.44Å; D67-R96 IonicContact OD2-NH1 2.98Å; D67-R96 IonicContact OD2-NH2 3.85Å; D67-R96 PolarHBondContact OD2-NH2 2.88Å
68D97.8Very high96.8Very high57 Ų5735 Ų3531%0.30518%0.184SC..THydrogen-bonded Turntrans-58.8-25.4179.1-78.20.2000113.5K220 F221D68-K220 HydrophobicContact CB-CD 4.04Å; D68-K220 HydrophobicContact CB-CG 4.28Å; D68-K220 CarbonylContact O-C 3.55Å; D68-K220 VanDerWaalsContact O-CA 3.22Å; D68-K220 WeakPolarHBondContact O-CA 3.43Å; D68-K220 WeakPolarHBondContact O-CB 3.38Å; D68-K220 WeakPolarHBondContact OD2-CE 3.48Å; D68-K220 IonicContact OD2-NZ 3.49Å; D68-K220 PolarHBondContact OD2-NZ 3.04Å; D68-F221 PolarHBondContact O-N 2.82Å
69H98.2Very high97Very high19 Ų1933.7 Ų33.79%0.08818%0.179CC..THydrogen-bonded Turntrans-113.61.3-174.171.8-65.6000113.8D67 L103 G136 C137D67-H69 PolarHBondContact O-N 3.36Å; D67-H69 VanDerWaalsContact O-N 3.15Å; D67-H69 IonicContact OD2-CE1 2.79Å; D67-H69 PolarHBondContact OD2-CE1 2.93Å; D67-H69 IonicContact OD2-ND1 2.63Å; H69-L103 PolarHBondContact NE2-O 2.89Å; H69-G136 CarbonylContact O-C 3.57Å; H69-G136 WeakPolarHBondContact O-CA 3.4Å; H69-C137 WeakPolarHBondContact CB-O 3.25Å; H69-C137 PolarHBondContact O-N 3.03Å
70V98.6Very high97.2Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-153.2141.1-176.357.10000112.5I66 D67 L108 V134 T135I66-V70 WeakPolarHBondContact CA-O 3.21Å; I66-V70 HydrophobicContact CB-CG1 4.1Å; I66-V70 WeakPolarHBondContact CB-O 3.38Å; I66-V70 HydrophobicContact CG2-CG1 4.09Å; I66-V70 PolarHBondContact N-O 3.02Å; D67-V70 HydrophobicContact CB-CG1 3.94Å; D67-V70 PolarHBondContact N-O 3.29Å; D67-V70 PolarHBondContact O-N 3.28Å; V70-L108 HydrophobicContact CG1-CD2 4.12Å; V70-L108 HydrophobicContact CG2-CD2 4.27Å; V70-V134 HydrophobicContact CG2-CG1 3.8Å; V70-T135 WeakPolarHBondContact CA-O 3.38Å
71G98.8Very high97.5Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans-145173.8170.600000111.8I64 T135 F221I64-G71 WeakPolarHBondContact O-CA 3.12Å; G71-T135 PolarHBondContact N-O 3.32Å; G71-T135 PolarHBondContact O-N 3.3Å; G71-F221 VanDerWaalsContact CA-CE2 3.45Å; G71-F221 VanDerWaalsContact CA-CZ 3.47Å; G71-F221 VanDerWaalsContact N-CD2 3.32Å
72V98.7Very high97.7Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-135.6143.7-174-57.80000112I63 I64 I66 I74 M88 M132 L133 V134I63-V72 CarbonylContact C-O 3.6Å; I63-V72 VanDerWaalsContact CA-O 3.32Å; I63-V72 WeakPolarHBondContact CA-O 3.45Å; I64-V72 HydrophobicContact CB-CG2 3.94Å; I64-V72 PolarHBondContact N-O 3.1Å; I64-V72 PolarHBondContact O-N 2.87Å; I66-V72 HydrophobicContact CD1-CG1 4.37Å; I66-V72 HydrophobicContact CD1-CG2 3.92Å; I66-V72 HydrophobicContact CG1-CG1 3.8Å; I66-V72 HydrophobicContact CG1-CG2 4.11Å; V72-I74 HydrophobicContact CG2-CG2 4.48Å; V72-M88 HydrophobicContact CG1-CE 3.6Å; V72-M88 HydrophobicContact CG1-SD 3.87Å; V72-M132 HydrophobicContact CB-CE 3.83Å; V72-M132 HydrophobicContact CG1-CE 3.91Å; V72-M132 HydrophobicContact CG2-CE 3.59Å; V72-L133 CarbonylContact C-O 3.5Å; V72-L133 WeakPolarHBondContact CA-O 3.3Å; V72-V134 HydrophobicContact CG1-CB 4.26Å; V72-V134 HydrophobicContact CG1-CG1 4.19Å; V72-V134 HydrophobicContact CG1-CG2 3.89Å
73A98.6Very high97.8Very high0 Ų029 Ų290%016%0.158CC..EExtended strand (participates in β ladder)trans-106.4139.7159.500000111.1A35 I46 K62 I63 M132 L133A35-A73 HydrophobicContact CB-CB 3.92Å; I46-A73 HydrophobicContact CD1-CB 4.22Å; I46-A73 HydrophobicContact CG2-CB 3.5Å; I46-A73 VanDerWaalsContact CG2-CB 3.5Å; K62-A73 WeakPolarHBondContact O-CA 3.48Å; I63-A73 HydrophobicContact CG1-CB 4.41Å; A73-M132 CarbonylContact O-C 3.56Å; A73-M132 WeakPolarHBondContact O-CA 3.49Å; A73-L133 HydrophobicContact CB-CB 4.38Å; A73-L133 PolarHBondContact N-O 2.8Å; A73-L133 PolarHBondContact O-N 2.89Å
74I97.9Very high97.8Very high3 Ų328.7 Ų28.72%0.01516%0.156CC..EExtended strand (participates in β ladder)trans-108.7142-177.163.6177.2000112.4K62 I64 V72 T78 V130 M132K62-I74 PolarHBondContact NZ-O 2.89Å; K62-I74 PolarHBondContact O-N 2.98Å; I64-I74 HydrophobicContact CD1-CD1 4.14Å; V72-I74 HydrophobicContact CG2-CG2 4.48Å; I74-T78 HydrophobicContact CD1-CG2 3.84Å; I74-V130 HydrophobicContact CB-CG2 4.01Å; I74-V130 HydrophobicContact CG2-CG2 4.38Å; I74-M132 HydrophobicContact CG2-CE 4.21Å; I74-M132 HydrophobicContact CG2-CG 4.29Å
75S97.7Very high97.8Very high1 Ų127.6 Ų27.61%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-138.1130.9168.9-158.90000111.3V29 G32 S33 V130 G131 G162V29-S75 PolarHBondContact O-OG 2.98Å; G32-S75 VanDerWaalsContact C-OG 3.32Å; G32-S75 WeakPolarHBondContact CA-OG 3.49Å; G32-S75 PolarHBondContact O-OG 3.3Å; S33-S75 PolarHBondContact O-OG 3.13Å; S75-V130 CarbonylContact O-C 3.46Å; S75-V130 WeakPolarHBondContact O-CA 3.47Å; S75-G131 PolarHBondContact N-O 3.11Å; S75-G131 PolarHBondContact O-N 3Å; S75-G162 VanDerWaalsContact OG-CA 3.27Å; S75-G162 WeakPolarHBondContact OG-CA 3.29Å
76G96.9Very high97.8Very high18 Ų1831.5 Ų31.519%0.18616%0.162CC..EExtended strand (participates in β ladder)trans111.6-143.9-171.200000112.3A28 T78 G129A28-G76 WeakPolarHBondContact O-CA 3.36Å; G76-T78 PolarHBondContact O-N 2.99Å; G76-T78 VanDerWaalsContact O-N 3.1Å; G76-G129 CarbonylContact C-O 3.59Å; G76-G129 WeakPolarHBondContact CA-O 3.4Å
77L96.4Very high97.8Very high82 Ų8231.6 Ų31.643%0.42916%0.164SC..  trans-67.7105.7-177.8-63.4-175.8000111.6A79 D80 G81 G129L77-A79 VanDerWaalsContact C-N 3.28Å; L77-A79 PolarHBondContact O-N 2.93Å; L77-D80 HydrophobicContact CB-CB 4.28Å; L77-D80 WeakPolarHBondContact O-CB 3.37Å; L77-D80 PolarHBondContact O-N 3.36Å; L77-D80 VanDerWaalsContact O-N 3.13Å; L77-G81 PolarHBondContact O-N 2.84Å; L77-G129 PolarHBondContact N-O 3.41Å
78T95.2Very high97.8Very high31 Ų3131 Ų3119%0.1916%0.16CC..Hα-helixtrans-57.2-37.3-176-52.70000113.7Q60 I74 G76 D80 G81 R82Q60-T78 PolarHBondContact NE2-OG1 3.45Å; I74-T78 HydrophobicContact CD1-CG2 3.84Å; G76-T78 PolarHBondContact O-N 2.99Å; G76-T78 VanDerWaalsContact O-N 3.1Å; T78-D80 VanDerWaalsContact C-N 3.32Å; T78-D80 PolarHBondContact O-N 3.47Å; T78-G81 PolarHBondContact O-N 2.82Å; T78-R82 HydrophobicContact CG2-CG 4.49Å; T78-R82 VanDerWaalsContact CG2-CZ 3.42Å; T78-R82 PolarHBondContact O-N 3.13Å
79A96.4Very high97.9Very high73 Ų7333.8 Ų33.860%0.60317%0.167SC*.Hα-helixtrans-62-40.7179.700000112.2L77 R82 L83L77-A79 VanDerWaalsContact C-N 3.28Å; L77-A79 PolarHBondContact O-N 2.93Å; A79-R82 PolarHBondContact O-N 3Å; A79-L83 PolarHBondContact O-N 3.31Å
80D97.4Very high97.9Very high10 Ų1040.6 Ų40.65%0.05319%0.192CC..Hα-helixtrans-64.9-45.8175.6-75.21.8000110.5L77 T78 R82 L83 L84 R126 F128 G129 V130L77-D80 HydrophobicContact CB-CB 4.28Å; L77-D80 WeakPolarHBondContact O-CB 3.37Å; L77-D80 PolarHBondContact O-N 3.36Å; L77-D80 VanDerWaalsContact O-N 3.13Å; T78-D80 VanDerWaalsContact C-N 3.32Å; T78-D80 PolarHBondContact O-N 3.47Å; D80-R82 VanDerWaalsContact C-N 3.34Å; D80-R82 PolarHBondContact O-N 3.25Å; D80-L83 PolarHBondContact O-N 2.91Å; D80-L83 VanDerWaalsContact O-N 3.16Å; D80-L84 WeakPolarHBondContact O-CG 3.38Å; D80-L84 PolarHBondContact O-N 3.18Å; D80-R126 IonicContact OD1-CZ 3.51Å; D80-R126 IonicContact OD1-NH1 3.33Å; D80-R126 PolarHBondContact OD1-NH1 3.01Å; D80-R126 IonicContact OD1-NH2 2.76Å; D80-R126 PolarHBondContact OD1-NH2 2.81Å; D80-R126 IonicContact OD2-CZ 3.6Å; D80-R126 IonicContact OD2-NH1 2.71Å; D80-R126 PolarHBondContact OD2-NH1 3.16Å; D80-R126 IonicContact OD2-NH2 3.59Å; D80-F128 HydrophobicContact CB-CD1 3.88Å; D80-F128 WeakPolarHBondContact OD2-CA 3.23Å; D80-G129 PolarHBondContact OD2-N 3.16Å; D80-V130 HydrophobicContact CB-CB 4.14Å; D80-V130 HydrophobicContact CB-CG1 3.82Å
81G97.5Very high97.9Very high0 Ų042.9 Ų42.90%020%0.202CC..Hα-helixtrans-57.1-43.8176.100000113L77 T78 L84 S85L77-G81 PolarHBondContact O-N 2.84Å; T78-G81 PolarHBondContact O-N 2.82Å; G81-L84 PolarHBondContact O-N 2.84Å; G81-S85 WeakPolarHBondContact O-CB 3.29Å; G81-S85 PolarHBondContact O-N 2.85Å; G81-S85 PolarHBondContact O-OG 2.89Å
82R97.7Very high97.8Very high117 Ų11743 Ų4344%0.44220%0.203SC..Hα-helixtrans-68.4-35.6176.6-72.1-177.3176.7123.73.8112.8I64 T78 A79 D80 R86I64-R82 HydrophobicContact CD1-CG 4.26Å; T78-R82 HydrophobicContact CG2-CG 4.49Å; T78-R82 VanDerWaalsContact CG2-CZ 3.42Å; T78-R82 PolarHBondContact O-N 3.13Å; A79-R82 PolarHBondContact O-N 3Å; D80-R82 VanDerWaalsContact C-N 3.34Å; D80-R82 PolarHBondContact O-N 3.25Å; R82-R86 WeakPolarHBondContact O-CG 3.45Å; R82-R86 PolarHBondContact O-N 3.13Å
83L98Very high97.8Very high69 Ų6945.5 Ų45.536%0.36122%0.224SC..Hα-helixtrans-66.5-42.8175.7-173.5124.3000111.8A79 D80 S87 F128A79-L83 PolarHBondContact O-N 3.31Å; D80-L83 PolarHBondContact O-N 2.91Å; D80-L83 VanDerWaalsContact O-N 3.16Å; L83-S87 PolarHBondContact O-N 2.79Å; L83-S87 VanDerWaalsContact O-N 3.15Å; L83-S87 PolarHBondContact O-OG 3.02Å; L83-F128 HydrophobicContact CD2-CE1 3.67Å; L83-F128 HydrophobicContact CD2-CZ 4.03Å
84L98.4Very high97.8Very high0 Ų049.5 Ų49.50%025%0.245CC..Hα-helixtrans-67-44.5175.2-66.5175000111.2D80 G81 R86 S87 M88 I112 K115 M116 F128 V130 M132D80-L84 WeakPolarHBondContact O-CG 3.38Å; D80-L84 PolarHBondContact O-N 3.18Å; G81-L84 PolarHBondContact O-N 2.84Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.49Å; L84-S87 CarbonylContact O-C 3.54Å; L84-S87 WeakPolarHBondContact O-CA 3.27Å; L84-S87 VanDerWaalsContact O-CB 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.5Å; L84-S87 PolarHBondContact O-N 3.22Å; L84-M88 WeakPolarHBondContact O-CG 3.35Å; L84-M88 PolarHBondContact O-N 3.26Å; L84-I112 HydrophobicContact CD2-CG2 4.22Å; L84-K115 HydrophobicContact CD2-CD 4.13Å; L84-M116 HydrophobicContact CD1-CE 4.13Å; L84-M116 HydrophobicContact CD1-CG 3.81Å; L84-M116 HydrophobicContact CD1-SD 3.57Å; L84-M116 VanDerWaalsContact CD1-SD 3.57Å; L84-M116 HydrophobicContact CD2-CG 3.75Å; L84-M116 HydrophobicContact CD2-SD 4.45Å; L84-M116 HydrophobicContact CG-CG 4.46Å; L84-F128 HydrophobicContact CD1-CB 4.39Å; L84-F128 HydrophobicContact CD1-CD1 4.05Å; L84-F128 HydrophobicContact CD1-CG 4.18Å; L84-F128 HydrophobicContact CD2-CD1 4.19Å; L84-F128 HydrophobicContact CD2-CE1 3.89Å; L84-F128 HydrophobicContact CD2-CE2 4.22Å; L84-F128 HydrophobicContact CD2-CG 4.5Å; L84-F128 HydrophobicContact CD2-CZ 3.9Å; L84-F128 HydrophobicContact CG-CD1 4.08Å; L84-F128 HydrophobicContact CG-CE1 4.1Å; L84-V130 HydrophobicContact CD1-CG1 3.7Å; L84-M132 HydrophobicContact CB-CE 4.33Å; L84-M132 HydrophobicContact CB-SD 3.74Å; L84-M132 HydrophobicContact CD1-SD 3.7Å; L84-M132 HydrophobicContact CG-SD 4.4Å
85S98.5Very high97.7Very high1 Ų149.9 Ų49.91%0.00725%0.248CC..Hα-helixtrans-59-40.5176.8-57.20000112.6G81 S87 M88 R89G81-S85 WeakPolarHBondContact O-CB 3.29Å; G81-S85 PolarHBondContact O-N 2.85Å; G81-S85 PolarHBondContact O-OG 2.89Å; S85-S87 VanDerWaalsContact C-N 3.31Å; S85-S87 PolarHBondContact O-N 3.13Å; S85-M88 WeakPolarHBondContact O-CB 3.46Å; S85-M88 PolarHBondContact O-N 3.44Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.76Å
86R98.5Very high97.6Very high157 Ų15754.1 Ų54.159%0.59226%0.264SS*.Hα-helixtrans-64.1-36.4172.6-76.8-175-63.7-1751.1112.7R82 L84 R90R82-R86 WeakPolarHBondContact O-CG 3.45Å; R82-R86 PolarHBondContact O-N 3.13Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.49Å; R86-R90 PolarHBondContact O-N 3.3Å
87S98.4Very high97.6Very high13 Ų1364.4 Ų64.49%0.09130%0.297CS..Hα-helixtrans-66.7-42.2174.8-55.30000110.4L83 L84 S85 R89 R90 E91 K115L83-S87 PolarHBondContact O-N 2.79Å; L83-S87 VanDerWaalsContact O-N 3.15Å; L83-S87 PolarHBondContact O-OG 3.02Å; L84-S87 CarbonylContact O-C 3.54Å; L84-S87 WeakPolarHBondContact O-CA 3.27Å; L84-S87 VanDerWaalsContact O-CB 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.5Å; L84-S87 PolarHBondContact O-N 3.22Å; S85-S87 VanDerWaalsContact C-N 3.31Å; S85-S87 PolarHBondContact O-N 3.13Å; S87-R89 PolarHBondContact O-N 3.23Å; S87-R90 WeakPolarHBondContact O-CB 3.47Å; S87-R90 PolarHBondContact O-N 3.09Å; S87-E91 WeakPolarHBondContact O-CG 3.35Å; S87-E91 PolarHBondContact O-N 3.31Å; S87-K115 VanDerWaalsContact OG-CE 3.23Å; S87-K115 WeakPolarHBondContact OG-CE 3.31Å
88M98.7Very high97.7Very high0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-59-46.9176-67.5175.48100112.4I66 V72 L84 S85 R90 E91 C92 L108 I112 M132 V134I66-M88 HydrophobicContact CD1-CB 4Å; I66-M88 HydrophobicContact CD1-SD 4.26Å; I66-M88 HydrophobicContact CG1-CB 4.2Å; I66-M88 HydrophobicContact CG1-CE 4.2Å; I66-M88 HydrophobicContact CG1-SD 4.28Å; I66-M88 HydrophobicContact CG2-CB 3.52Å; V72-M88 HydrophobicContact CG1-CE 3.6Å; V72-M88 HydrophobicContact CG1-SD 3.87Å; L84-M88 WeakPolarHBondContact O-CG 3.35Å; L84-M88 PolarHBondContact O-N 3.26Å; S85-M88 WeakPolarHBondContact O-CB 3.46Å; S85-M88 PolarHBondContact O-N 3.44Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 2.63Å; M88-E91 PolarHBondContact O-N 2.96Å; M88-C92 PolarHBondContact O-N 3.31Å; M88-C92 PolarHBondContact O-SG 3.3Å; M88-L108 HydrophobicContact CB-CD1 4.04Å; M88-L108 HydrophobicContact CE-CD1 4.45Å; M88-L108 HydrophobicContact CE-CD2 3.69Å; M88-L108 HydrophobicContact CE-CG 4.03Å; M88-L108 HydrophobicContact CG-CD1 4.11Å; M88-I112 HydrophobicContact CB-CD1 4.29Å; M88-I112 HydrophobicContact CG-CD1 3.41Å; M88-I112 VanDerWaalsContact CG-CD1 3.41Å; M88-I112 HydrophobicContact CG-CG1 3.51Å; M88-I112 HydrophobicContact CG-CG2 4.5Å; M88-I112 HydrophobicContact SD-CG1 4.43Å; M88-M132 HydrophobicContact SD-CE 3.69Å; M88-V134 HydrophobicContact CE-CG1 3.93Å; M88-V134 HydrophobicContact CE-CG2 4.07Å
89R98.7Very high97.7Very high115 Ų11569.1 Ų69.143%0.43432%0.32SS..Hα-helixtrans-56.2-42175.7-76.3173.1178.9168.5-3.1112.1Q65 I66 S85 S87 A93Q65-R89 VanDerWaalsContact O-CZ 3.26Å; Q65-R89 PolarHBondContact O-NE 3.19Å; Q65-R89 PolarHBondContact O-NH2 3.12Å; I66-R89 HydrophobicContact CD1-CG 4.38Å; I66-R89 HydrophobicContact CG2-CG 4.34Å; I66-R89 VanDerWaalsContact O-CG 3.3Å; I66-R89 WeakPolarHBondContact O-CG 3.48Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.76Å; S87-R89 PolarHBondContact O-N 3.23Å; R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.5Å
90R98.4Very high97.7Very high162 Ų16272.5 Ų72.561%0.61133%0.328SS*.Hα-helixtrans-63.3-49.4176.4-176.4-178.9-63.6153.5-1.2111.4R86 S87 M88 C92 A93 D94R86-R90 PolarHBondContact O-N 3.3Å; S87-R90 WeakPolarHBondContact O-CB 3.47Å; S87-R90 PolarHBondContact O-N 3.09Å; M88-R90 VanDerWaalsContact C-N 3.26Å; M88-R90 PolarHBondContact O-N 2.63Å; R90-C92 VanDerWaalsContact C-N 3.29Å; R90-C92 PolarHBondContact O-N 2.98Å; R90-A93 PolarHBondContact O-N 2.64Å; R90-D94 WeakPolarHBondContact CG-OD2 3.32Å; R90-D94 WeakPolarHBondContact O-CB 3.22Å; R90-D94 PolarHBondContact O-N 3.12Å
91E98.3Very high97.5Very high49 Ų4978.1 Ų78.123%0.22935%0.354CS..Hα-helixtrans-60.2-38.8179.5-61.6-62.9160.500112.4S87 M88 S95 L103 L108 K111S87-E91 WeakPolarHBondContact O-CG 3.35Å; S87-E91 PolarHBondContact O-N 3.31Å; M88-E91 PolarHBondContact O-N 2.96Å; E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.12Å; E91-S95 VanDerWaalsContact O-N 3.07Å; E91-L103 HydrophobicContact CB-CD2 3.94Å; E91-L108 HydrophobicContact CB-CD1 4.01Å; E91-K111 HydrophobicContact CB-CD 4.34Å; E91-K111 HydrophobicContact CG-CB 4.41Å; E91-K111 HydrophobicContact CG-CD 4.2Å; E91-K111 VanDerWaalsContact OE2-CD 3.27Å; E91-K111 WeakPolarHBondContact OE2-CD 3.18Å; E91-K111 WeakPolarHBondContact OE2-CE 3.34Å; E91-K111 IonicContact OE2-NZ 3.94Å; E91-K111 PolarHBondContact OE2-NZ 3.33Å
92C98.3Very high97.4Very high1 Ų181.4 Ų81.41%0.00738%0.375CS..Hα-helixtrans-65.5-47.9174.7-720000112.1D67 M88 R90 D94 S95 R96D67-C92 HydrophobicContact CB-CB 4.04Å; D67-C92 WeakPolarHBondContact OD2-CB 3.43Å; M88-C92 PolarHBondContact O-N 3.31Å; M88-C92 PolarHBondContact O-SG 3.3Å; R90-C92 VanDerWaalsContact C-N 3.29Å; R90-C92 PolarHBondContact O-N 2.98Å; C92-D94 PolarHBondContact O-N 3.05Å; C92-S95 PolarHBondContact O-N 3.46Å; C92-R96 PolarHBondContact O-N 2.8Å
93A98.1Very high97.4Very high53 Ų5375.9 Ų75.944%0.43835%0.354SS..Hα-helixtrans-62.1-42.617800000112.1R89 R90 S95 R96 W97R89-A93 WeakPolarHBondContact O-CB 3.46Å; R89-A93 PolarHBondContact O-N 3.5Å; R90-A93 PolarHBondContact O-N 2.64Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 3.45Å; A93-R96 PolarHBondContact O-N 2.87Å; A93-W97 WeakPolarHBondContact O-CB 3.35Å; A93-W97 PolarHBondContact O-N 3.3Å
94D97.8Very high97.4Very high85 Ų8574.6 Ų74.646%0.45535%0.35SS..Hα-helixtrans-63.2-40.2177.7-68.4-12.6000111.1R90 C92 W97 A98R90-D94 WeakPolarHBondContact CG-OD2 3.32Å; R90-D94 WeakPolarHBondContact O-CB 3.22Å; R90-D94 PolarHBondContact O-N 3.12Å; C92-D94 PolarHBondContact O-N 3.05Å; D94-W97 PolarHBondContact O-N 2.87Å; D94-A98 VanDerWaalsContact O-CB 3.29Å; D94-A98 WeakPolarHBondContact O-CB 3.46Å; D94-A98 PolarHBondContact O-N 3.22Å
95S97Very high97.4Very high10 Ų1074.6 Ų74.67%0.0735%0.35CS..Hα-helixtrans-65.3-45.4175.8-170.40000112E91 C92 A93 W97 A98 Y99E91-S95 WeakPolarHBondContact O-CB 3.44Å; E91-S95 PolarHBondContact O-N 3.12Å; E91-S95 VanDerWaalsContact O-N 3.07Å; C92-S95 PolarHBondContact O-N 3.46Å; A93-S95 VanDerWaalsContact C-N 3.33Å; A93-S95 PolarHBondContact O-N 3.45Å; S95-W97 VanDerWaalsContact C-N 3.32Å; S95-W97 PolarHBondContact O-N 3.29Å; S95-A98 PolarHBondContact O-N 3.47Å; S95-Y99 WeakPolarHBondContact O-CB 3.39Å; S95-Y99 WeakPolarHBondContact O-CD2 3.17Å; S95-Y99 PolarHBondContact O-N 2.63Å
96R95.8Very high97.3Very high91 Ų9177.1 Ų77.134%0.34337%0.368SS..Hα-helixtrans-62.5-41.4176.9-177.5178.2-71.8138.14111D67 C92 A93 D100D67-R96 IonicContact OD1-CZ 3.54Å; D67-R96 VanDerWaalsContact OD1-CZ 3.27Å; D67-R96 IonicContact OD1-NH1 2.74Å; D67-R96 PolarHBondContact OD1-NH1 3.36Å; D67-R96 IonicContact OD1-NH2 2.73Å; D67-R96 PolarHBondContact OD1-NH2 2.96Å; D67-R96 IonicContact OD2-CZ 3.44Å; D67-R96 IonicContact OD2-NH1 2.98Å; D67-R96 IonicContact OD2-NH2 3.85Å; D67-R96 PolarHBondContact OD2-NH2 2.88Å; C92-R96 PolarHBondContact O-N 2.8Å; A93-R96 PolarHBondContact O-N 2.87Å; R96-D100 WeakPolarHBondContact O-CA 3.35Å; R96-D100 PolarHBondContact O-N 2.82Å
97W96.6Very high97.2Very high234 Ų23475.1 Ų75.189%0.88636%0.36SS*.Hα-helixtrans-63.3-42.1175.7175-109.1000112.8A93 D94 S95A93-W97 WeakPolarHBondContact O-CB 3.35Å; A93-W97 PolarHBondContact O-N 3.3Å; D94-W97 PolarHBondContact O-N 2.87Å; S95-W97 VanDerWaalsContact C-N 3.32Å; S95-W97 PolarHBondContact O-N 3.29Å
98A97.7Very high97.2Very high62 Ų6274.5 Ų74.551%0.51236%0.356SS..Hα-helixtrans-80.4-32.1-174.900000114.1D94 S95D94-A98 VanDerWaalsContact O-CB 3.29Å; D94-A98 WeakPolarHBondContact O-CB 3.46Å; D94-A98 PolarHBondContact O-N 3.22Å; S95-A98 PolarHBondContact O-N 3.47Å
99Y96.5Very high97.1Very high149 Ų14974.8 Ų74.858%0.58436%0.357SS*.Hα-helixtrans-128-5-168.7-54.6-67.3000114.4S95 E101S95-Y99 WeakPolarHBondContact O-CB 3.39Å; S95-Y99 WeakPolarHBondContact O-CD2 3.17Å; S95-Y99 PolarHBondContact O-N 2.63Å; Y99-E101 PolarHBondContact O-N 2.85Å; Y99-E101 VanDerWaalsContact O-N 3.16Å
100D95.2Very high97.1Very high144 Ų14473.2 Ų73.277%0.7736%0.364SS*.SBendtrans56.124.2-173.5-155.432.7000114.1R96R96-D100 WeakPolarHBondContact O-CA 3.35Å; R96-D100 PolarHBondContact O-N 2.82Å
101E94Very high97Very high129 Ų12969.7 Ų69.760%0.60335%0.353SS*.SBendtrans-129.1144.5-178.6-72.7-175.6173.400111.7Y99 L103Y99-E101 PolarHBondContact O-N 2.85Å; Y99-E101 VanDerWaalsContact O-N 3.16Å; E101-L103 PolarHBondContact O-N 2.81Å
102P95.3Very high97Very high68 Ų6867.4 Ų67.444%0.44234%0.343SS..PPolyproline II helixtrans-58.6134.2170-20.231.6000111.5P104P102-P104 VanDerWaalsContact O-CD 3.29Å; P102-P104 WeakPolarHBondContact O-CD 3.11Å
103L97.7Very high97Very high1 Ų168 Ų681%0.00535%0.348CS..PPolyproline II helixtrans-63.6121.6179.2-178.762.1000110.7H69 E91 E101 I105 R107 L108H69-L103 PolarHBondContact NE2-O 2.89Å; E91-L103 HydrophobicContact CB-CD2 3.94Å; E101-L103 PolarHBondContact O-N 2.81Å; L103-I105 PolarHBondContact O-N 2.95Å; L103-R107 HydrophobicContact CD1-CB 3.88Å; L103-L108 HydrophobicContact CD2-CB 3.72Å; L103-L108 HydrophobicContact CD2-CD1 3.88Å; L103-L108 HydrophobicContact CD2-CG 4.35Å; L103-L108 HydrophobicContact CG-CB 4.11Å
104P97.4Very high96.9Very high42 Ų4270.9 Ų70.927%0.27336%0.355SS..PPolyproline II helixtrans-56.1139.8175.4-27.936.2000112P102 S106 R107 L108P102-P104 VanDerWaalsContact O-CD 3.29Å; P102-P104 WeakPolarHBondContact O-CD 3.11Å; P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 2.83Å; P104-R107 HydrophobicContact CB-CG 4.44Å; P104-R107 WeakPolarHBondContact O-CB 3.45Å; P104-R107 PolarHBondContact O-N 2.97Å; P104-L108 PolarHBondContact O-N 2.92Å
105I98Very high96.9Very high0 Ų071.1 Ų71.10%035%0.352CS..Hα-helixtrans-65.4-35.4-167.8-63.5172.3000111.1L103 R107 L108 L109 V134 D138 H143 Y145L103-I105 PolarHBondContact O-N 2.95Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.79Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 2.96Å; I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CG 4.47Å; I105-L109 WeakPolarHBondContact O-CB 3.42Å; I105-L109 WeakPolarHBondContact O-CG 3.22Å; I105-L109 PolarHBondContact O-N 2.87Å; I105-V134 HydrophobicContact CG2-CG1 4.28Å; I105-D138 HydrophobicContact CD1-CB 4.48Å; I105-D138 HydrophobicContact CG1-CB 4.41Å; I105-D138 PolarHBondContact N-OD2 3.19Å; I105-H143 HydrophobicContact CD1-CB 4Å; I105-H143 HydrophobicContact CG2-CB 4.48Å; I105-Y145 HydrophobicContact CB-CE2 4.37Å; I105-Y145 HydrophobicContact CG2-CD2 3.73Å; I105-Y145 HydrophobicContact CG2-CE2 3.6Å
106S96.5Very high96.9Very high54 Ų5470.7 Ų70.738%0.37835%0.349SS..Hα-helixtrans-61.8-37.317559.80000113.2P104 S110P104-S106 VanDerWaalsContact C-N 3.28Å; P104-S106 PolarHBondContact O-N 2.83Å; S106-S110 PolarHBondContact O-N 2.73Å; S106-S110 PolarHBondContact O-OG 2.82Å
107R97.3Very high96.9Very high116 Ų11669 Ų6944%0.43835%0.345SS..Hα-helixtrans-73-41.1176.3-71.2178.464-165.9-0.7111.2L103 P104 I105 L109 S110 K111L103-R107 HydrophobicContact CD1-CB 3.88Å; P104-R107 HydrophobicContact CB-CG 4.44Å; P104-R107 WeakPolarHBondContact O-CB 3.45Å; P104-R107 PolarHBondContact O-N 2.97Å; I105-R107 VanDerWaalsContact C-N 3.33Å; I105-R107 PolarHBondContact O-N 2.79Å; R107-L109 VanDerWaalsContact C-N 3.33Å; R107-S110 PolarHBondContact O-N 2.9Å; R107-K111 PolarHBondContact O-N 2.91Å
108L98.2Very high96.9Very high0 Ų059.8 Ų59.80%031%0.314CS..Hα-helixtrans-56.8-49.4172.1176.859.2000110.4I66 V70 M88 E91 L103 P104 I105 S110 K111 I112I66-L108 HydrophobicContact CG2-CD2 4.45Å; V70-L108 HydrophobicContact CG1-CD2 4.12Å; V70-L108 HydrophobicContact CG2-CD2 4.27Å; M88-L108 HydrophobicContact CB-CD1 4.04Å; M88-L108 HydrophobicContact CE-CD1 4.45Å; M88-L108 HydrophobicContact CE-CD2 3.69Å; M88-L108 HydrophobicContact CE-CG 4.03Å; M88-L108 HydrophobicContact CG-CD1 4.11Å; E91-L108 HydrophobicContact CB-CD1 4.01Å; L103-L108 HydrophobicContact CD2-CB 3.72Å; L103-L108 HydrophobicContact CD2-CD1 3.88Å; L103-L108 HydrophobicContact CD2-CG 4.35Å; L103-L108 HydrophobicContact CG-CB 4.11Å; P104-L108 PolarHBondContact O-N 2.92Å; I105-L108 WeakPolarHBondContact O-CB 3.38Å; I105-L108 PolarHBondContact O-N 2.96Å; L108-S110 PolarHBondContact O-N 2.88Å; L108-K111 PolarHBondContact O-N 2.81Å; L108-I112 HydrophobicContact CD1-CD1 4.48Å; L108-I112 HydrophobicContact CD1-CG1 4.09Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 2.99Å; L108-I112 PolarHBondContact O-N 3.44Å; L108-I112 VanDerWaalsContact O-N 3.08Å
109L97.5Very high96.8Very high5 Ų557.5 Ų57.53%0.02629%0.294CS..Hα-helixtrans-60.5-43.9178.5-76.9167.8000112.9I105 R107 K111 I112 A113 V134 Y145 L147I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CG 4.47Å; I105-L109 WeakPolarHBondContact O-CB 3.42Å; I105-L109 WeakPolarHBondContact O-CG 3.22Å; I105-L109 PolarHBondContact O-N 2.87Å; R107-L109 VanDerWaalsContact C-N 3.33Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 2.75Å; L109-I112 PolarHBondContact O-N 2.98Å; L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.74Å; L109-V134 HydrophobicContact CD2-CB 4.13Å; L109-V134 HydrophobicContact CD2-CG1 4.32Å; L109-V134 HydrophobicContact CD2-CG2 3.81Å; L109-Y145 HydrophobicContact CD1-CD1 3.32Å; L109-Y145 HydrophobicContact CD1-CD2 3.28Å; L109-Y145 HydrophobicContact CD1-CE1 3.69Å; L109-Y145 HydrophobicContact CD1-CE2 3.63Å; L109-Y145 HydrophobicContact CD1-CG 3.1Å; L109-Y145 HydrophobicContact CG-CG 4.46Å; L109-L147 HydrophobicContact CD2-CB 4.49Å; L109-L147 HydrophobicContact CD2-CD2 4.45Å
110S97Very high96.8Very high82 Ų8250.9 Ų50.957%0.57327%0.269SS*.Hα-helixtrans-56-44.2176.6-63.60000112.2S106 R107 L108 L114S106-S110 PolarHBondContact O-N 2.73Å; S106-S110 PolarHBondContact O-OG 2.82Å; R107-S110 PolarHBondContact O-N 2.9Å; L108-S110 PolarHBondContact O-N 2.88Å; S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 PolarHBondContact O-N 3.26Å; S110-L114 VanDerWaalsContact O-N 3.09Å
111K97.6Very high96.6Very high89 Ų8949.9 Ų49.939%0.38726%0.26SS..Hα-helixtrans-64.6-43.8178.4-75.5161.7162-76.60112.2E91 R107 L108 L109 K115E91-K111 HydrophobicContact CB-CD 4.34Å; E91-K111 HydrophobicContact CG-CB 4.41Å; E91-K111 HydrophobicContact CG-CD 4.2Å; E91-K111 VanDerWaalsContact OE2-CD 3.27Å; E91-K111 WeakPolarHBondContact OE2-CD 3.18Å; E91-K111 WeakPolarHBondContact OE2-CE 3.34Å; E91-K111 IonicContact OE2-NZ 3.94Å; E91-K111 PolarHBondContact OE2-NZ 3.33Å; R107-K111 PolarHBondContact O-N 2.91Å; L108-K111 PolarHBondContact O-N 2.81Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 2.75Å; K111-K115 PolarHBondContact O-N 3.42Å; K111-K115 VanDerWaalsContact O-N 3.15Å
112I98.1Very high96.6Very high1 Ų151 Ų511%0.00526%0.259CS..Hα-helixtrans-75.9-39.9-177.9-56.1-62.2000111.9L84 M88 L108 L109 L114 K115 M116 L147L84-I112 HydrophobicContact CD2-CG2 4.22Å; M88-I112 HydrophobicContact CB-CD1 4.29Å; M88-I112 HydrophobicContact CG-CD1 3.41Å; M88-I112 VanDerWaalsContact CG-CD1 3.41Å; M88-I112 HydrophobicContact CG-CG1 3.51Å; M88-I112 HydrophobicContact CG-CG2 4.5Å; M88-I112 HydrophobicContact SD-CG1 4.43Å; L108-I112 HydrophobicContact CD1-CD1 4.48Å; L108-I112 HydrophobicContact CD1-CG1 4.09Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 2.99Å; L108-I112 PolarHBondContact O-N 3.44Å; L108-I112 VanDerWaalsContact O-N 3.08Å; L109-I112 PolarHBondContact O-N 2.98Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.32Å; I112-K115 WeakPolarHBondContact O-CB 3.47Å; I112-K115 PolarHBondContact O-N 3.48Å; I112-K115 VanDerWaalsContact O-N 3.14Å; I112-M116 HydrophobicContact CG2-CG 4.44Å; I112-M116 HydrophobicContact CG2-SD 4.27Å; I112-M116 WeakPolarHBondContact O-CG 3.29Å; I112-M116 PolarHBondContact O-N 3.03Å; I112-L147 HydrophobicContact CB-CD2 4.27Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å
113A97.2Very high96.5Very high14 Ų1456.6 Ų56.612%0.11627%0.272CS..Hα-helixtrans-56.9-48.1173.400000110.1L109 K115 M116 Q117 L147 S151L109-A113 WeakPolarHBondContact O-CB 3.43Å; L109-A113 PolarHBondContact O-N 2.74Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.12Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 WeakPolarHBondContact O-CA 3.48Å; A113-M116 PolarHBondContact O-N 2.88Å; A113-Q117 WeakPolarHBondContact O-CB 3.37Å; A113-Q117 PolarHBondContact O-N 2.83Å; A113-L147 HydrophobicContact CB-CD1 4.09Å; A113-S151 PolarHBondContact O-OG 2.86Å
114L96.5Very high96.2Very high113 Ų11359.3 Ų59.359%0.59230%0.301SS*.Hα-helixtrans-57.8-43.2175.4-175.763.9000112.1S110 I112 M116 Q117 V118S110-L114 WeakPolarHBondContact O-CB 3.38Å; S110-L114 PolarHBondContact O-N 3.26Å; S110-L114 VanDerWaalsContact O-N 3.09Å; I112-L114 VanDerWaalsContact C-N 3.32Å; I112-L114 PolarHBondContact O-N 3.32Å; L114-M116 VanDerWaalsContact C-N 3.32Å; L114-M116 PolarHBondContact O-N 3.03Å; L114-Q117 WeakPolarHBondContact O-CB 3.5Å; L114-Q117 PolarHBondContact O-N 3.46Å; L114-V118 PolarHBondContact O-N 2.95Å
115K97Very high96Very high90 Ų9064.5 Ų64.539%0.39132%0.315SS..Hα-helixtrans-60.8-40.8174.5-172.1-173.6-177.376.40112.2L84 S87 K111 I112 A113 Q117 P119L84-K115 HydrophobicContact CD2-CD 4.13Å; S87-K115 VanDerWaalsContact OG-CE 3.23Å; S87-K115 WeakPolarHBondContact OG-CE 3.31Å; K111-K115 PolarHBondContact O-N 3.42Å; K111-K115 VanDerWaalsContact O-N 3.15Å; I112-K115 WeakPolarHBondContact O-CB 3.47Å; I112-K115 PolarHBondContact O-N 3.48Å; I112-K115 VanDerWaalsContact O-N 3.14Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3.12Å; K115-Q117 VanDerWaalsContact C-N 3.34Å; K115-P119 VanDerWaalsContact O-CD 3.29Å; K115-P119 WeakPolarHBondContact O-CD 3.2Å
116M97.6Very high95.9Very high0 Ų071 Ų710%034%0.339CS..Hα-helixtrans-72-27.4178-72.6-179.367.600113.4L84 I112 A113 L114 P119 F128 L147 C148L84-M116 HydrophobicContact CD1-CE 4.13Å; L84-M116 HydrophobicContact CD1-CG 3.81Å; L84-M116 HydrophobicContact CD1-SD 3.57Å; L84-M116 VanDerWaalsContact CD1-SD 3.57Å; L84-M116 HydrophobicContact CD2-CG 3.75Å; L84-M116 HydrophobicContact CD2-SD 4.45Å; L84-M116 HydrophobicContact CG-CG 4.46Å; I112-M116 HydrophobicContact CG2-CG 4.44Å; I112-M116 HydrophobicContact CG2-SD 4.27Å; I112-M116 WeakPolarHBondContact O-CG 3.29Å; I112-M116 PolarHBondContact O-N 3.03Å; A113-M116 CarbonylContact O-C 3.53Å; A113-M116 WeakPolarHBondContact O-CA 3.48Å; A113-M116 PolarHBondContact O-N 2.88Å; L114-M116 VanDerWaalsContact C-N 3.32Å; L114-M116 PolarHBondContact O-N 3.03Å; M116-P119 WeakPolarHBondContact O-CD 3.49Å; M116-F128 HydrophobicContact CB-CD2 4.03Å; M116-F128 HydrophobicContact CB-CE2 4.48Å; M116-F128 HydrophobicContact CE-CB 4.09Å; M116-F128 HydrophobicContact CG-CD2 3.8Å; M116-F128 HydrophobicContact CG-CE2 4.23Å; M116-F128 HydrophobicContact CG-CG 4.3Å; M116-L147 HydrophobicContact CE-CG 4.23Å; M116-L147 HydrophobicContact SD-CD1 4.12Å; M116-L147 HydrophobicContact SD-CD2 3.34Å; M116-L147 WeakPolarHBondContact SD-CD2 3.35Å; M116-L147 HydrophobicContact SD-CG 3.54Å; M116-L147 VanDerWaalsContact SD-CG 3.54Å; M116-C148 VanDerWaalsContact CE-O 3.27Å; M116-C148 WeakPolarHBondContact CE-O 3.39Å
117Q96.8Very high95.9Very high57 Ų5768.6 Ų68.627%0.26632%0.323SS..Hα-helixtrans-71.8-39.4-179.6-166.6-107.842.800111.7A113 L114 K115 T120 Q121 S151A113-Q117 WeakPolarHBondContact O-CB 3.37Å; A113-Q117 PolarHBondContact O-N 2.83Å; L114-Q117 WeakPolarHBondContact O-CB 3.5Å; L114-Q117 PolarHBondContact O-N 3.46Å; K115-Q117 VanDerWaalsContact C-N 3.34Å; Q117-T120 WeakPolarHBondContact O-CA 3.46Å; Q117-T120 WeakPolarHBondContact O-CB 3.39Å; Q117-T120 PolarHBondContact O-N 3.03Å; Q117-T120 PolarHBondContact O-OG1 3.37Å; Q117-Q121 VanDerWaalsContact CD-CD 3.49Å; Q117-S151 VanDerWaalsContact CB-OG 3.29Å; Q117-S151 WeakPolarHBondContact CB-OG 3.28Å
118V96Very high95.9Very high40 Ų4064.1 Ų64.124%0.24231%0.307CS..G310 helixtrans-53.4-46-174.1166.80000113.4L114 T120 Q121 R122L114-V118 PolarHBondContact O-N 2.95Å; V118-T120 PolarHBondContact O-N 3.43Å; V118-Q121 PolarHBondContact O-N 3.18Å; V118-R122 HydrophobicContact CG1-CG 4.43Å; V118-R122 PolarHBondContact O-N 3.29Å
119P95.8Very high95.9Very high13 Ų1364.2 Ų64.28%0.08431%0.308CS..G310 helixtrans-68.6-9.4175.8-22.435.4000115.5K115 M116 Q121 R125 R126 F128K115-P119 VanDerWaalsContact O-CD 3.29Å; K115-P119 WeakPolarHBondContact O-CD 3.2Å; M116-P119 WeakPolarHBondContact O-CD 3.49Å; P119-Q121 VanDerWaalsContact C-N 3.34Å; P119-R125 HydrophobicContact CB-CB 4.03Å; P119-R126 WeakPolarHBondContact CB-O 3.45Å; P119-F128 HydrophobicContact CG-CD2 4.18Å; P119-F128 HydrophobicContact CG-CE2 3.69Å; P119-F128 HydrophobicContact CG-CZ 4.49Å
120T95.4Very high95.9Very high10 Ų1064 Ų646%0.06131%0.306CS..G310 helixtrans-85.4-8.1175.472.50000113.1I22 Q117 V118 P127I22-T120 HydrophobicContact CD1-CG2 4.26Å; I22-T120 HydrophobicContact CG1-CG2 4.37Å; Q117-T120 WeakPolarHBondContact O-CA 3.46Å; Q117-T120 WeakPolarHBondContact O-CB 3.39Å; Q117-T120 PolarHBondContact O-N 3.03Å; Q117-T120 PolarHBondContact O-OG1 3.37Å; V118-T120 PolarHBondContact O-N 3.43Å; T120-P127 HydrophobicContact CG2-CB 4.23Å; T120-P127 HydrophobicContact CG2-CG 4.41Å
121Q92.7Very high96Very high124 Ų12460.1 Ų60.158%0.57928%0.279SS*.THydrogen-bonded Turntrans-127.5-2.7-173-63.41809.300113.8Q117 V118 P119Q117-Q121 VanDerWaalsContact CD-CD 3.49Å; V118-Q121 PolarHBondContact O-N 3.18Å; P119-Q121 VanDerWaalsContact C-N 3.34Å
122R93.4Very high96Very high153 Ų15355.9 Ų55.958%0.57726%0.261SS*.SBendtrans-114.8124.3-177.4-67-172.6-176.6-179.84.8110.4V10 V118 R125V10-R122 WeakPolarHBondContact CG2-O 3.41Å; V118-R122 HydrophobicContact CG1-CG 4.43Å; V118-R122 PolarHBondContact O-N 3.29Å; R122-R125 HydrophobicContact CB-CG 4.04Å; R122-R125 WeakPolarHBondContact O-CB 3.34Å; R122-R125 PolarHBondContact O-N 3.48Å
123Y93Very high96Very high184 Ų18455.8 Ų55.872%0.72226%0.26SS*.THydrogen-bonded Turntrans-51.7140.5175179.5-95.5000112.2D9 R125D9-Y123 HydrophobicContact CB-CD2 4.17Å; D9-Y123 HydrophobicContact CB-CE2 4.21Å; D9-Y123 VanDerWaalsContact CG-CD2 3.46Å; D9-Y123 WeakPolarHBondContact OD2-CA 3.41Å; D9-Y123 VanDerWaalsContact OD2-CD2 3.26Å; D9-Y123 WeakPolarHBondContact OD2-CD2 3.45Å; Y123-R125 VanDerWaalsContact C-N 3.25Å; Y123-R125 PolarHBondContact O-N 2.9Å
124G91.8Very high96.1Very high59 Ų5955.1 Ų55.161%0.60826%0.255SS*.THydrogen-bonded Turntrans73.816177.300000113.8D9D9-G124 PolarHBondContact OD1-N 3.31Å
125R93.5Very high96.2Very high150 Ų15049.8 Ų49.857%0.56623%0.227SC*.  trans-118.3147.4172.2-53.8-67.8-91.8-143.4-6.9108.7P119 R122 Y123P119-R125 HydrophobicContact CB-CB 4.03Å; R122-R125 HydrophobicContact CB-CG 4.04Å; R122-R125 WeakPolarHBondContact O-CB 3.34Å; R122-R125 PolarHBondContact O-N 3.48Å; Y123-R125 VanDerWaalsContact C-N 3.25Å; Y123-R125 PolarHBondContact O-N 2.9Å
126R94.8Very high96.3Very high136 Ų13645.5 Ų45.551%0.51321%0.208SC..PPolyproline II helixtrans-99.8145.2171.263.3169.4-174.675.3-2.3110.6D80 P119D80-R126 IonicContact OD1-CZ 3.51Å; D80-R126 IonicContact OD1-NH1 3.33Å; D80-R126 PolarHBondContact OD1-NH1 3.01Å; D80-R126 IonicContact OD1-NH2 2.76Å; D80-R126 PolarHBondContact OD1-NH2 2.81Å; D80-R126 IonicContact OD2-CZ 3.6Å; D80-R126 IonicContact OD2-NH1 2.71Å; D80-R126 PolarHBondContact OD2-NH1 3.16Å; D80-R126 IonicContact OD2-NH2 3.59Å; P119-R126 WeakPolarHBondContact CB-O 3.45Å
127P97.2Very high96.3Very high5 Ų546 Ų463%0.03221%0.212CC..PPolyproline II helixtrans-58.2158.9167.5-21.835.1000111.2V10 Q21 I22 A25 T120 G129V10-P127 HydrophobicContact CG1-CG 3.63Å; Q21-P127 HydrophobicContact CB-CG 4.43Å; I22-P127 HydrophobicContact CG1-CG 4.09Å; A25-P127 HydrophobicContact CB-CB 3.89Å; T120-P127 HydrophobicContact CG2-CB 4.23Å; T120-P127 HydrophobicContact CG2-CG 4.41Å; P127-G129 PolarHBondContact O-N 2.9Å
128F97.9Very high96.3Very high22 Ų2244.6 Ų44.610%0.09621%0.206CC..PPolyproline II helixtrans-70.7120.2171.3-72.7-83.8000109.5D80 L83 L84 M116 P119 V130 P149D80-F128 HydrophobicContact CB-CD1 3.88Å; D80-F128 WeakPolarHBondContact OD2-CA 3.23Å; L83-F128 HydrophobicContact CD2-CE1 3.67Å; L83-F128 HydrophobicContact CD2-CZ 4.03Å; L84-F128 HydrophobicContact CD1-CB 4.39Å; L84-F128 HydrophobicContact CD1-CD1 4.05Å; L84-F128 HydrophobicContact CD1-CG 4.18Å; L84-F128 HydrophobicContact CD2-CD1 4.19Å; L84-F128 HydrophobicContact CD2-CE1 3.89Å; L84-F128 HydrophobicContact CD2-CE2 4.22Å; L84-F128 HydrophobicContact CD2-CG 4.5Å; L84-F128 HydrophobicContact CD2-CZ 3.9Å; L84-F128 HydrophobicContact CG-CD1 4.08Å; L84-F128 HydrophobicContact CG-CE1 4.1Å; M116-F128 HydrophobicContact CB-CD2 4.03Å; M116-F128 HydrophobicContact CB-CE2 4.48Å; M116-F128 HydrophobicContact CE-CB 4.09Å; M116-F128 HydrophobicContact CG-CD2 3.8Å; M116-F128 HydrophobicContact CG-CE2 4.23Å; M116-F128 HydrophobicContact CG-CG 4.3Å; P119-F128 HydrophobicContact CG-CD2 4.18Å; P119-F128 HydrophobicContact CG-CE2 3.69Å; P119-F128 HydrophobicContact CG-CZ 4.49Å; F128-V130 HydrophobicContact CB-CG1 4.31Å; F128-V130 PolarHBondContact O-N 3.08Å; F128-P149 VanDerWaalsContact O-CB 3.23Å; F128-P149 WeakPolarHBondContact O-CB 3.46Å
129G97.5Very high96.2Very high2 Ų248 Ų482%0.02124%0.238CC..  trans-82.837.5-178.100000113.4G76 L77 D80 P127G76-G129 CarbonylContact C-O 3.59Å; G76-G129 WeakPolarHBondContact CA-O 3.4Å; L77-G129 PolarHBondContact N-O 3.41Å; D80-G129 PolarHBondContact OD2-N 3.16Å; P127-G129 PolarHBondContact O-N 2.9Å
130V98Very high96.2Very high0 Ų054.6 Ų54.60%027%0.272CS..EExtended strand (participates in β ladder)trans-136.2137.4-173.768.90000111.3I74 S75 D80 L84 F128 M132I74-V130 HydrophobicContact CB-CG2 4.01Å; I74-V130 HydrophobicContact CG2-CG2 4.38Å; S75-V130 CarbonylContact O-C 3.46Å; S75-V130 WeakPolarHBondContact O-CA 3.47Å; D80-V130 HydrophobicContact CB-CB 4.14Å; D80-V130 HydrophobicContact CB-CG1 3.82Å; L84-V130 HydrophobicContact CD1-CG1 3.7Å; F128-V130 HydrophobicContact CB-CG1 4.31Å; F128-V130 PolarHBondContact O-N 3.08Å; V130-M132 HydrophobicContact CG1-CG 4.45Å; V130-M132 HydrophobicContact CG2-CG 4.32Å
131G98Very high96.3Very high0 Ų054.3 Ų54.30%027%0.272CS..EExtended strand (participates in β ladder)trans-101.3138.3164.600000109.3V29 S75 L147V29-G131 VanDerWaalsContact CG2-N 3.29Å; S75-G131 PolarHBondContact N-O 3.11Å; S75-G131 PolarHBondContact O-N 3Å; G131-L147 WeakPolarHBondContact CA-O 3.42Å
132M98.5Very high96.5Very high0 Ų049.1 Ų49.10%025%0.249CC..EExtended strand (participates in β ladder)trans-122.2128.6-179.1-56.1-177.368.500109.9V72 A73 I74 L84 M88 V130 V134 L147V72-M132 HydrophobicContact CB-CE 3.83Å; V72-M132 HydrophobicContact CG1-CE 3.91Å; V72-M132 HydrophobicContact CG2-CE 3.59Å; A73-M132 CarbonylContact O-C 3.56Å; A73-M132 WeakPolarHBondContact O-CA 3.49Å; I74-M132 HydrophobicContact CG2-CE 4.21Å; I74-M132 HydrophobicContact CG2-CG 4.29Å; L84-M132 HydrophobicContact CB-CE 4.33Å; L84-M132 HydrophobicContact CB-SD 3.74Å; L84-M132 HydrophobicContact CD1-SD 3.7Å; L84-M132 HydrophobicContact CG-SD 4.4Å; M88-M132 HydrophobicContact SD-CE 3.69Å; V130-M132 HydrophobicContact CG1-CG 4.45Å; V130-M132 HydrophobicContact CG2-CG 4.32Å; M132-V134 HydrophobicContact CB-CG2 4.31Å; M132-L147 HydrophobicContact CB-CB 4.35Å; M132-L147 PolarHBondContact N-O 3.47Å; M132-L147 PolarHBondContact O-N 3.19Å
133L98.7Very high96.8Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-90.2103.7164.8-59.9-171.7000107.6A35 A37 V72 A73 Y145 Y146 I159 I161A35-L133 HydrophobicContact CB-CD1 3.87Å; A37-L133 HydrophobicContact CB-CB 4.16Å; A37-L133 HydrophobicContact CB-CD1 3.78Å; A37-L133 HydrophobicContact CB-CG 4.47Å; V72-L133 CarbonylContact C-O 3.5Å; V72-L133 WeakPolarHBondContact CA-O 3.3Å; A73-L133 HydrophobicContact CB-CB 4.38Å; A73-L133 PolarHBondContact N-O 2.8Å; A73-L133 PolarHBondContact O-N 2.89Å; L133-Y145 CarbonylContact C-O 3.53Å; L133-Y145 WeakPolarHBondContact CA-O 3.27Å; L133-Y146 HydrophobicContact CD2-CD2 4.13Å; L133-I159 HydrophobicContact CD2-CG2 3.54Å; L133-I161 HydrophobicContact CD1-CD1 4.48Å; L133-I161 HydrophobicContact CD1-CG1 4.07Å; L133-I161 HydrophobicContact CD2-CD1 3.84Å; L133-I161 HydrophobicContact CD2-CG1 3.91Å; L133-I161 HydrophobicContact CD2-CG2 3.88Å; L133-I161 HydrophobicContact CG-CD1 3.71Å; L133-I161 HydrophobicContact CG-CG1 3.81Å
134V98.7Very high97.1Very high0 Ų033.9 Ų33.90%019%0.19CC..EExtended strand (participates in β ladder)trans-91.6116.2178.5-174.60000108.2V70 V72 M88 I105 L109 M132 Y145V70-V134 HydrophobicContact CG2-CG1 3.8Å; V72-V134 HydrophobicContact CG1-CB 4.26Å; V72-V134 HydrophobicContact CG1-CG1 4.19Å; V72-V134 HydrophobicContact CG1-CG2 3.89Å; M88-V134 HydrophobicContact CE-CG1 3.93Å; M88-V134 HydrophobicContact CE-CG2 4.07Å; I105-V134 HydrophobicContact CG2-CG1 4.28Å; L109-V134 HydrophobicContact CD2-CB 4.13Å; L109-V134 HydrophobicContact CD2-CG1 4.32Å; L109-V134 HydrophobicContact CD2-CG2 3.81Å; M132-V134 HydrophobicContact CB-CG2 4.31Å; V134-Y145 PolarHBondContact N-O 2.61Å; V134-Y145 PolarHBondContact O-N 2.75Å
135T98.7Very high97.4Very high0 Ų032.4 Ų32.40%017%0.167CC..EExtended strand (participates in β ladder)trans-128.1128.9-175.1-54.40000109.5A44 I46 V70 G71 H143 V144 V215A44-T135 HydrophobicContact CB-CG2 3.31Å; I46-T135 WeakPolarHBondContact CD1-OG1 3.45Å; I46-T135 VanDerWaalsContact CG1-CB 3.48Å; I46-T135 HydrophobicContact CG1-CG2 3.98Å; I46-T135 WeakPolarHBondContact CG1-OG1 3.35Å; V70-T135 WeakPolarHBondContact CA-O 3.38Å; G71-T135 PolarHBondContact N-O 3.32Å; G71-T135 PolarHBondContact O-N 3.3Å; T135-H143 WeakPolarHBondContact CA-O 3.29Å; T135-V144 HydrophobicContact CG2-CG2 4.09Å; T135-V215 HydrophobicContact CG2-CG1 4.08Å
136G98.4Very high97.6Very high0 Ų026.7 Ų26.70%015%0.145CC..EExtended strand (participates in β ladder)trans-165.2173.8-176.100000111.8H69 H143H69-G136 CarbonylContact O-C 3.57Å; H69-G136 WeakPolarHBondContact O-CA 3.4Å; G136-H143 PolarHBondContact N-O 2.98Å; G136-H143 VanDerWaalsContact N-O 3.13Å; G136-H143 PolarHBondContact O-N 2.95Å
137C98.2Very high97.8Very high11 Ų1120.2 Ų20.27%0.07412%0.121CC..EExtended strand (participates in β ladder)trans-126.2131.5171.5-168.90000108.6H69 G141 V215H69-C137 WeakPolarHBondContact CB-O 3.25Å; H69-C137 PolarHBondContact O-N 3.03Å; C137-G141 WeakPolarHBondContact CA-O 3.33Å; C137-V215 HydrophobicContact CB-CG2 3.89Å
138D96.6Very high97.7Very high27 Ų2720 Ų2014%0.14412%0.119CC..EExtended strand (participates in β ladder)trans-127-168.2171.265.725.7000110.4I105 L140 G141 H143I105-D138 HydrophobicContact CD1-CB 4.48Å; I105-D138 HydrophobicContact CG1-CB 4.41Å; I105-D138 PolarHBondContact N-OD2 3.19Å; D138-L140 PolarHBondContact O-N 3.09Å; D138-L140 VanDerWaalsContact O-N 3.07Å; D138-L140 WeakPolarHBondContact OD1-CB 3.25Å; D138-L140 PolarHBondContact OD1-N 3.16Å; D138-G141 PolarHBondContact N-O 3.2Å; D138-G141 WeakPolarHBondContact O-CA 3.24Å; D138-G141 PolarHBondContact O-N 3.07Å; D138-H143 IonicContact OD1-CD2 2.76Å; D138-H143 PolarHBondContact OD1-CD2 2.86Å; D138-H143 IonicContact OD1-CE1 3.09Å; D138-H143 IonicContact OD1-NE2 3.95Å; D138-H143 PolarHBondContact OD1-NE2 3.05Å; D138-H143 IonicContact OD2-CD2 3.42Å; D138-H143 IonicContact OD2-NE2 2.85Å; D138-H143 PolarHBondContact OD2-NE2 3.02Å
139A94.4Very high97.7Very high112 Ų11219 Ų1993%0.92612%0.115SC*.THydrogen-bonded Turntrans-58.3-21.4-17900000113.8G141A139-G141 VanDerWaalsContact C-N 3.34Å
140L95.4Very high97.5Very high151 Ų15120.2 Ų20.279%0.79112%0.123SC*.THydrogen-bonded Turntrans-88.1-3175.6-59.5177.1000113D138D138-L140 PolarHBondContact O-N 3.09Å; D138-L140 VanDerWaalsContact O-N 3.07Å; D138-L140 WeakPolarHBondContact OD1-CB 3.25Å; D138-L140 PolarHBondContact OD1-N 3.16Å
141G96.8Very high97.4Very high5 Ų521 Ų215%0.05213%0.128CC..EExtended strand (participates in β ladder)trans105.9-160.7178.900000113.6C137 D138 A139 H143C137-G141 WeakPolarHBondContact CA-O 3.33Å; D138-G141 PolarHBondContact N-O 3.2Å; D138-G141 WeakPolarHBondContact O-CA 3.24Å; D138-G141 PolarHBondContact O-N 3.07Å; A139-G141 VanDerWaalsContact C-N 3.34Å; G141-H143 PolarHBondContact O-CD2 3.03Å; G141-H143 PolarHBondContact O-NE2 2.64Å
142P98.1Very high97.2Very high15 Ų1524.8 Ų24.810%0.09715%0.149CC..EExtended strand (participates in β ladder)trans-73.6142.3-177.928.6-34.6000112.5K39 N40 H41 A44K39-P142 HydrophobicContact CB-CB 4.33Å; K39-P142 WeakPolarHBondContact CD-O 3.39Å; N40-P142 VanDerWaalsContact O-CG 3.29Å; N40-P142 WeakPolarHBondContact O-CG 3.42Å; H41-P142 WeakPolarHBondContact O-CD 3.38Å; A44-P142 HydrophobicContact CB-CB 3.89Å
143H98.4Very high97.1Very high16 Ų1627 Ų277%0.07417%0.167CC..EExtended strand (participates in β ladder)trans-133.6142-178-64.2-80.3000112I105 T135 G136 D138 G141 Y145I105-H143 HydrophobicContact CD1-CB 4Å; I105-H143 HydrophobicContact CG2-CB 4.48Å; T135-H143 WeakPolarHBondContact CA-O 3.29Å; G136-H143 PolarHBondContact N-O 2.98Å; G136-H143 VanDerWaalsContact N-O 3.13Å; G136-H143 PolarHBondContact O-N 2.95Å; D138-H143 IonicContact OD1-CD2 2.76Å; D138-H143 PolarHBondContact OD1-CD2 2.86Å; D138-H143 IonicContact OD1-CE1 3.09Å; D138-H143 IonicContact OD1-NE2 3.95Å; D138-H143 PolarHBondContact OD1-NE2 3.05Å; D138-H143 IonicContact OD2-CD2 3.42Å; D138-H143 IonicContact OD2-NE2 2.85Å; D138-H143 PolarHBondContact OD2-NE2 3.02Å; G141-H143 PolarHBondContact O-CD2 3.03Å; G141-H143 PolarHBondContact O-NE2 2.64Å; H143-Y145 HydrophobicContact CB-CD2 3.89Å; H143-Y145 HydrophobicContact CB-CE2 3.49Å; H143-Y145 VanDerWaalsContact CB-CE2 3.49Å; H143-Y145 AromaticContact CG-CE2 3.81Å; H143-Y145 AromaticContact ND1-CE2 3.8Å
144V98.6Very high97Very high0 Ų032.1 Ų32.10%019%0.187CC..EExtended strand (participates in β ladder)trans-132.5117.7172170.90000106.7A37 K39 A44 T135 C156 I159A37-V144 HydrophobicContact CB-CG1 3.54Å; A37-V144 HydrophobicContact CB-CG2 4.25Å; K39-V144 HydrophobicContact CB-CG2 3.95Å; K39-V144 HydrophobicContact CD-CB 4.34Å; K39-V144 HydrophobicContact CD-CG2 4.24Å; K39-V144 HydrophobicContact CG-CG2 4.16Å; A44-V144 HydrophobicContact CB-CG2 3.95Å; T135-V144 HydrophobicContact CG2-CG2 4.09Å; V144-C156 HydrophobicContact CG1-CB 4.19Å; V144-C156 PolarHBondContact O-N 3.15Å; V144-I159 HydrophobicContact CG1-CG2 3.87Å
145Y98.6Very high97Very high29 Ų2936.8 Ų36.811%0.11421%0.212CC..EExtended strand (participates in β ladder)trans-122.3141.6178.1-67.9-92.4000111.2I105 L109 L133 V134 H143 Y154 D155I105-Y145 HydrophobicContact CB-CE2 4.37Å; I105-Y145 HydrophobicContact CG2-CD2 3.73Å; I105-Y145 HydrophobicContact CG2-CE2 3.6Å; L109-Y145 HydrophobicContact CD1-CD1 3.32Å; L109-Y145 HydrophobicContact CD1-CD2 3.28Å; L109-Y145 HydrophobicContact CD1-CE1 3.69Å; L109-Y145 HydrophobicContact CD1-CE2 3.63Å; L109-Y145 HydrophobicContact CD1-CG 3.1Å; L109-Y145 HydrophobicContact CG-CG 4.46Å; L133-Y145 CarbonylContact C-O 3.53Å; L133-Y145 WeakPolarHBondContact CA-O 3.27Å; V134-Y145 PolarHBondContact N-O 2.61Å; V134-Y145 PolarHBondContact O-N 2.75Å; H143-Y145 HydrophobicContact CB-CD2 3.89Å; H143-Y145 HydrophobicContact CB-CE2 3.49Å; H143-Y145 VanDerWaalsContact CB-CE2 3.49Å; H143-Y145 AromaticContact CG-CE2 3.81Å; H143-Y145 AromaticContact ND1-CE2 3.8Å; Y145-Y154 CarbonylContact C-O 3.58Å; Y145-Y154 WeakPolarHBondContact CA-O 3.39Å; Y145-D155 HydrophobicContact CD1-CB 3.88Å; Y145-D155 HydrophobicContact CE1-CB 3.54Å
146Y98.4Very high96.9Very high30 Ų3037.7 Ų37.712%0.11822%0.219CC..EExtended strand (participates in β ladder)trans-102.8116.5166.7172.2-136.7000110L133 C148 A153 Y154 I159 I161L133-Y146 HydrophobicContact CD2-CD2 4.13Å; Y146-C148 HydrophobicContact CD1-CB 4.4Å; Y146-C148 HydrophobicContact CE1-CB 3.63Å; Y146-C148 HydrophobicContact CE2-CB 3.92Å; Y146-C148 VanDerWaalsContact OH-CB 3.28Å; Y146-C148 WeakPolarHBondContact OH-CB 3.2Å; Y146-A153 CarbonylContact O-C 3.54Å; Y146-A153 WeakPolarHBondContact O-CA 3.4Å; Y146-Y154 AromaticContact CD1-CD2 3.64Å; Y146-Y154 HydrophobicContact CD1-CD2 3.64Å; Y146-Y154 HydrophobicContact CD1-CE2 4.09Å; Y146-Y154 HydrophobicContact CE1-CD2 4.32Å; Y146-Y154 HydrophobicContact CE1-CE2 4.33Å; Y146-Y154 HydrophobicContact CG-CD2 4.35Å; Y146-Y154 PolarHBondContact N-O 3.43Å; Y146-Y154 PolarHBondContact O-N 3.06Å; Y146-I159 HydrophobicContact CG-CG1 4.46Å; Y146-I161 HydrophobicContact CD2-CG2 3.78Å; Y146-I161 HydrophobicContact CE2-CD1 4.38Å; Y146-I161 HydrophobicContact CE2-CG2 3.61Å; Y146-I161 HydrophobicContact CG-CG2 4.32Å
147L97.8Very high96.9Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-102.3118.6171.4-175.563.1000109.4L109 I112 A113 M116 G131 M132 A153L109-L147 HydrophobicContact CD2-CB 4.49Å; L109-L147 HydrophobicContact CD2-CD2 4.45Å; I112-L147 HydrophobicContact CB-CD2 4.27Å; I112-L147 HydrophobicContact CG2-CD2 3.63Å; A113-L147 HydrophobicContact CB-CD1 4.09Å; M116-L147 HydrophobicContact CE-CG 4.23Å; M116-L147 HydrophobicContact SD-CD1 4.12Å; M116-L147 HydrophobicContact SD-CD2 3.34Å; M116-L147 WeakPolarHBondContact SD-CD2 3.35Å; M116-L147 HydrophobicContact SD-CG 3.54Å; M116-L147 VanDerWaalsContact SD-CG 3.54Å; G131-L147 WeakPolarHBondContact CA-O 3.42Å; M132-L147 HydrophobicContact CB-CB 4.35Å; M132-L147 PolarHBondContact N-O 3.47Å; M132-L147 PolarHBondContact O-N 3.19Å; L147-A153 HydrophobicContact CD1-CB 4.03Å
148C96.2Very high96.9Very high0 Ų043.6 Ų43.60%025%0.245CC..  trans-107.4162.8-173.771.60000113M116 Y146 S150 S151 N152M116-C148 VanDerWaalsContact CE-O 3.27Å; M116-C148 WeakPolarHBondContact CE-O 3.39Å; Y146-C148 HydrophobicContact CD1-CB 4.4Å; Y146-C148 HydrophobicContact CE1-CB 3.63Å; Y146-C148 HydrophobicContact CE2-CB 3.92Å; Y146-C148 VanDerWaalsContact OH-CB 3.28Å; Y146-C148 WeakPolarHBondContact OH-CB 3.2Å; C148-S150 PolarHBondContact O-N 3.39Å; C148-S150 VanDerWaalsContact O-N 3.07Å; C148-S150 PolarHBondContact SG-OG 2.96Å; C148-S151 PolarHBondContact O-N 2.92Å; C148-N152 PolarHBondContact N-O 2.9Å; C148-N152 PolarHBondContact SG-O 2.7Å
149P97Very high97Very high0 Ų043.5 Ų43.50%025%0.245CC..THydrogen-bonded Turntrans-53.4-26.2177.5-3439.8000116.1A25 M26 V29 F128 S151A25-P149 HydrophobicContact CB-CB 3.75Å; A25-P149 HydrophobicContact CB-CG 4.38Å; M26-P149 HydrophobicContact CG-CB 4.04Å; M26-P149 HydrophobicContact CG-CG 4.16Å; V29-P149 HydrophobicContact CG2-CG 3.5Å; F128-P149 VanDerWaalsContact O-CB 3.23Å; F128-P149 WeakPolarHBondContact O-CB 3.46Å; P149-S151 PolarHBondContact O-N 2.98Å
150S94.8Very high97.2Very high28 Ų2838.2 Ų38.220%0.19620%0.201CC..THydrogen-bonded Turntrans-787.7176.176.40000113.5C148 N152C148-S150 PolarHBondContact O-N 3.39Å; C148-S150 VanDerWaalsContact O-N 3.07Å; C148-S150 PolarHBondContact SG-OG 2.96Å; S150-N152 PolarHBondContact O-N 2.79Å
151S94.7Very high97.4Very high16 Ų1631.2 Ų31.211%0.11216%0.164CC..SBendtrans69.11.8-176.5-178.10000115.4A113 Q117 C148 P149A113-S151 PolarHBondContact O-OG 2.86Å; Q117-S151 VanDerWaalsContact CB-OG 3.29Å; Q117-S151 WeakPolarHBondContact CB-OG 3.28Å; C148-S151 PolarHBondContact O-N 2.92Å; P149-S151 PolarHBondContact O-N 2.98Å
152N94.8Very high97.4Very high80 Ų8031.1 Ų31.143%0.42816%0.164SC..  trans-72.2135.8171.4-62.8-14.6000110.3C148 S150 Y154C148-N152 PolarHBondContact N-O 2.9Å; C148-N152 PolarHBondContact SG-O 2.7Å; S150-N152 PolarHBondContact O-N 2.79Å; N152-Y154 HydrophobicContact CB-CE1 4.32Å; N152-Y154 HydrophobicContact CB-CE2 3.72Å; N152-Y154 WeakPolarHBondContact CB-OH 3.39Å; N152-Y154 PolarHBondContact ND2-OH 3.39Å; N152-Y154 VanDerWaalsContact ND2-OH 3.12Å
153A95.8Very high97.3Very high47 Ų4731.5 Ų31.539%0.38817%0.167SC..EExtended strand (participates in β ladder)trans-110.4127.3169.600000109.1Y146 L147Y146-A153 CarbonylContact O-C 3.54Å; Y146-A153 WeakPolarHBondContact O-CA 3.4Å; L147-A153 HydrophobicContact CD1-CB 4.03Å
154Y97.3Very high97.2Very high107 Ų10736.5 Ų36.542%0.4219%0.185SC..EExtended strand (participates in β ladder)trans-112.8126.1179.2-54.2-84.4000109.4Y145 Y146 N152Y145-Y154 CarbonylContact C-O 3.58Å; Y145-Y154 WeakPolarHBondContact CA-O 3.39Å; Y146-Y154 AromaticContact CD1-CD2 3.64Å; Y146-Y154 HydrophobicContact CD1-CD2 3.64Å; Y146-Y154 HydrophobicContact CD1-CE2 4.09Å; Y146-Y154 HydrophobicContact CE1-CD2 4.32Å; Y146-Y154 HydrophobicContact CE1-CE2 4.33Å; Y146-Y154 HydrophobicContact CG-CD2 4.35Å; Y146-Y154 PolarHBondContact N-O 3.43Å; Y146-Y154 PolarHBondContact O-N 3.06Å; N152-Y154 HydrophobicContact CB-CE1 4.32Å; N152-Y154 HydrophobicContact CB-CE2 3.72Å; N152-Y154 WeakPolarHBondContact CB-OH 3.39Å; N152-Y154 PolarHBondContact ND2-OH 3.39Å; N152-Y154 VanDerWaalsContact ND2-OH 3.12Å
155D97.5Very high97.1Very high99 Ų9937 Ų3753%0.52919%0.188SC..EExtended strand (participates in β ladder)trans-77.5123.1166.4-174.3-0.4000108.9K39 Y145K39-D155 IonicContact NZ-OD1 3.4Å; K39-D155 PolarHBondContact NZ-OD1 3.29Å; Y145-D155 HydrophobicContact CD1-CB 3.88Å; Y145-D155 HydrophobicContact CE1-CB 3.54Å
156C98.1Very high97.1Very high19 Ų1940.7 Ų40.713%0.12821%0.206CC..  trans-122.6143-171.6-62.40000110.3K39 V144 I159K39-C156 WeakPolarHBondContact CE-O 3.48Å; K39-C156 PolarHBondContact NZ-O 3.34Å; V144-C156 HydrophobicContact CG1-CB 4.19Å; V144-C156 PolarHBondContact O-N 3.15Å; C156-I159 HydrophobicContact CB-CB 4.04Å; C156-I159 HydrophobicContact CB-CG2 4.14Å
157K98.1Very high97Very high111 Ų11141.3 Ų41.348%0.48322%0.215SC..SBendtrans-71.1-38.4162.2-65.2174-176.8171.90110.8K39 L176K39-K157 PolarHBondContact N-O 2.97Å; K39-K157 VanDerWaalsContact N-O 3.16Å; K157-L176 HydrophobicContact CB-CD1 3.8Å; K157-L176 HydrophobicContact CD-CD1 3.86Å; K157-L176 HydrophobicContact CD-CD2 4.39Å; K157-L176 HydrophobicContact CD-CG 4.34Å
158C98.5Very high97.1Very high23 Ų2341.3 Ų41.316%0.15522%0.215CC..EExtended strand (participates in β ladder)trans-158152.5175.459.30000108.8A37 L38 L172 F179A37-C158 CarbonylContact O-C 3.55Å; A37-C158 WeakPolarHBondContact O-CA 3.5Å; L38-C158 HydrophobicContact CB-CB 3.72Å; C158-L172 HydrophobicContact CB-CB 4.43Å; C158-L172 HydrophobicContact CB-CD1 3.98Å; C158-L172 HydrophobicContact CB-CD2 4.1Å; C158-L172 HydrophobicContact CB-CG 4.41Å; C158-F179 HydrophobicContact CB-CD2 4.28Å; C158-F179 HydrophobicContact CB-CE2 3.97Å
159I98.5Very high97.2Very high26 Ų2644.6 Ų44.613%0.13323%0.228CC..EExtended strand (participates in β ladder)trans-158.6149.4177.1-171.260.4000110.4V36 A37 L133 V144 Y146 C156 I161V36-I159 WeakPolarHBondContact CA-O 3.49Å; A37-I159 HydrophobicContact CB-CG2 4.47Å; A37-I159 PolarHBondContact N-O 3.36Å; A37-I159 PolarHBondContact O-N 2.88Å; L133-I159 HydrophobicContact CD2-CG2 3.54Å; V144-I159 HydrophobicContact CG1-CG2 3.87Å; Y146-I159 HydrophobicContact CG-CG1 4.46Å; C156-I159 HydrophobicContact CB-CB 4.04Å; C156-I159 HydrophobicContact CB-CG2 4.14Å; I159-I161 HydrophobicContact CG1-CG2 4.45Å
160A98.6Very high97.2Very high1 Ų146.8 Ų46.81%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-126.6142.5169.600000110.7A35 V36 A168 R169 L172A35-A160 WeakPolarHBondContact O-CA 3.3Å; V36-A160 HydrophobicContact CG1-CB 4.39Å; V36-A160 HydrophobicContact CG2-CB 3.93Å; A160-A168 HydrophobicContact CB-CB 3.55Å; A160-R169 HydrophobicContact CB-CG 4.07Å; A160-R169 VanDerWaalsContact O-CZ 3.3Å; A160-R169 PolarHBondContact O-NE 3.08Å; A160-R169 PolarHBondContact O-NH2 2.89Å; A160-L172 HydrophobicContact CB-CD1 4.41Å
161I98.3Very high97.4Very high3 Ų347.3 Ų47.32%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-134.7164.5177.365.4169.3000110.7V29 A34 A35 L133 Y146 I159 S165V29-I161 HydrophobicContact CG1-CB 4.4Å; A34-I161 WeakPolarHBondContact CA-O 3.47Å; A35-I161 HydrophobicContact CB-CG1 4.37Å; A35-I161 PolarHBondContact N-O 2.98Å; A35-I161 PolarHBondContact O-N 2.72Å; L133-I161 HydrophobicContact CD1-CD1 4.48Å; L133-I161 HydrophobicContact CD1-CG1 4.07Å; L133-I161 HydrophobicContact CD2-CD1 3.84Å; L133-I161 HydrophobicContact CD2-CG1 3.91Å; L133-I161 HydrophobicContact CD2-CG2 3.88Å; L133-I161 HydrophobicContact CG-CD1 3.71Å; L133-I161 HydrophobicContact CG-CG1 3.81Å; Y146-I161 HydrophobicContact CD2-CG2 3.78Å; Y146-I161 HydrophobicContact CE2-CD1 4.38Å; Y146-I161 HydrophobicContact CE2-CG2 3.61Å; Y146-I161 HydrophobicContact CG-CG2 4.32Å; I159-I161 HydrophobicContact CG1-CG2 4.45Å; I161-S165 VanDerWaalsContact C-CB 3.45Å
162G97.5Very high97.6Very high4 Ų446.7 Ų46.74%0.04123%0.234CC..SBendtrans94.9-170.2-178.100000114.2V29 K30 G32 S75 R164 S165V29-G162 WeakPolarHBondContact O-CA 3.34Å; K30-G162 CarbonylContact O-C 3.58Å; G32-G162 CarbonylContact O-C 3.52Å; G32-G162 WeakPolarHBondContact O-CA 3.32Å; S75-G162 VanDerWaalsContact OG-CA 3.27Å; S75-G162 WeakPolarHBondContact OG-CA 3.29Å; G162-R164 PolarHBondContact O-N 3.06Å; G162-S165 VanDerWaalsContact O-CB 3.24Å; G162-S165 WeakPolarHBondContact O-CB 3.39Å; G162-S165 PolarHBondContact O-N 3.48Å; G162-S165 PolarHBondContact O-OG 3.19Å
163S96.4Very high97.7Very high22 Ų2249 Ų4915%0.15424%0.242CC..THydrogen-bonded Turntrans-59.3129.8-178.6-1740000110.6K30 G32 R51 S165K30-S163 WeakPolarHBondContact O-CA 3.46Å; K30-S163 PolarHBondContact O-N 3.44Å; K30-S163 VanDerWaalsContact O-N 3.12Å; G32-S163 VanDerWaalsContact O-CB 3.31Å; G32-S163 WeakPolarHBondContact O-CB 3.17Å; G32-S163 PolarHBondContact O-N 2.9Å; R51-S163 VanDerWaalsContact NH2-CB 3.32Å; R51-S163 PolarHBondContact NH2-OG 3.23Å; S163-S165 PolarHBondContact O-N 2.99Å
164R95.4Very high97.8Very high121 Ų12155.5 Ų55.546%0.45726%0.257SS..THydrogen-bonded Turntrans5521.3-177.8-49.9-173.7-144.3116.2-2114.5G162 Q166 S167 T198G162-R164 PolarHBondContact O-N 3.06Å; R164-Q166 PolarHBondContact O-N 3.24Å; R164-S167 PolarHBondContact O-N 2.97Å; R164-S167 PolarHBondContact O-OG 2.66Å; R164-T198 WeakPolarHBondContact CD-O 3.39Å; R164-T198 PolarHBondContact NH1-O 3.07Å
165S97.1Very high97.8Very high10 Ų1052.7 Ų52.77%0.0725%0.248CC..Hα-helixtrans-61.4-16.1179.151.40000114.7I161 G162 S163 S167 A168 R169I161-S165 VanDerWaalsContact C-CB 3.45Å; G162-S165 VanDerWaalsContact O-CB 3.24Å; G162-S165 WeakPolarHBondContact O-CB 3.39Å; G162-S165 PolarHBondContact O-N 3.48Å; G162-S165 PolarHBondContact O-OG 3.19Å; S163-S165 PolarHBondContact O-N 2.99Å; S165-S167 VanDerWaalsContact C-N 3.35Å; S165-S167 PolarHBondContact O-N 2.99Å; S165-A168 WeakPolarHBondContact O-CB 3.27Å; S165-A168 PolarHBondContact O-N 3.09Å; S165-R169 WeakPolarHBondContact O-CG 3.36Å; S165-R169 PolarHBondContact O-N 3.33Å; S165-R169 PolarHBondContact OG-NH2 3.33Å
166Q97.8Very high97.8Very high107 Ų10750.2 Ų50.250%0.523%0.234SC..Hα-helixtrans-64.1-35.9177.7-172.358.824.600113.1R164 R169 T170R164-Q166 PolarHBondContact O-N 3.24Å; Q166-R169 PolarHBondContact O-N 3.22Å; Q166-R169 VanDerWaalsContact OE1-NH1 3.13Å; Q166-T170 PolarHBondContact O-N 3.34Å; Q166-T170 PolarHBondContact O-OG1 2.67Å
167S97.5Very high97.8Very high43 Ų4356.5 Ų56.530%0.30127%0.267SS..Hα-helixtrans-66-42.1175.1520000111.1R164 S165 R169 T170 Y171 S197R164-S167 PolarHBondContact O-N 2.97Å; R164-S167 PolarHBondContact O-OG 2.66Å; S165-S167 VanDerWaalsContact C-N 3.35Å; S165-S167 PolarHBondContact O-N 2.99Å; S167-R169 PolarHBondContact O-N 3.3Å; S167-T170 WeakPolarHBondContact O-CB 3.44Å; S167-T170 PolarHBondContact O-N 3.49Å; S167-Y171 PolarHBondContact O-N 3.07Å; S167-S197 VanDerWaalsContact C-OG 3.26Å; S167-S197 VanDerWaalsContact CB-O 3.29Å; S167-S197 WeakPolarHBondContact CB-O 3.42Å; S167-S197 VanDerWaalsContact OG-C 3.26Å; S167-S197 PolarHBondContact OG-O 2.6Å
168A98.2Very high97.7Very high0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-59.8-44.2173.400000112V36 A160 S165 T170 Y171 L172 A194 S197 T198V36-A168 HydrophobicContact CG2-CB 4.06Å; A160-A168 HydrophobicContact CB-CB 3.55Å; S165-A168 WeakPolarHBondContact O-CB 3.27Å; S165-A168 PolarHBondContact O-N 3.09Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 3.23Å; A168-Y171 PolarHBondContact O-N 3.34Å; A168-L172 WeakPolarHBondContact O-CB 3.43Å; A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.46Å; A168-L172 PolarHBondContact O-N 2.92Å; A168-A194 HydrophobicContact CB-CB 4.2Å; A168-A194 VanDerWaalsContact CB-O 3.27Å; A168-A194 WeakPolarHBondContact CB-O 3.4Å; A168-S197 VanDerWaalsContact CA-OG 3.31Å; A168-S197 WeakPolarHBondContact CA-OG 3.36Å; A168-S197 PolarHBondContact N-OG 3.45Å; A168-S197 VanDerWaalsContact N-OG 3.12Å; A168-T198 HydrophobicContact CB-CG2 3.58Å
169R98.4Very high97.7Very high70 Ų7054.9 Ų54.926%0.26426%0.258SS..Hα-helixtrans-60.8-43.8175.8-69.5-175.9-158.9128.83.4111.9A160 S165 Q166 S167 Y171 L172 E173A160-R169 HydrophobicContact CB-CG 4.07Å; A160-R169 VanDerWaalsContact O-CZ 3.3Å; A160-R169 PolarHBondContact O-NE 3.08Å; A160-R169 PolarHBondContact O-NH2 2.89Å; S165-R169 WeakPolarHBondContact O-CG 3.36Å; S165-R169 PolarHBondContact O-N 3.33Å; S165-R169 PolarHBondContact OG-NH2 3.33Å; Q166-R169 PolarHBondContact O-N 3.22Å; Q166-R169 VanDerWaalsContact OE1-NH1 3.13Å; S167-R169 PolarHBondContact O-N 3.3Å; R169-Y171 VanDerWaalsContact C-N 3.29Å; R169-Y171 PolarHBondContact O-N 3.47Å; R169-L172 PolarHBondContact O-N 2.77Å; R169-L172 VanDerWaalsContact O-N 3.13Å; R169-E173 WeakPolarHBondContact O-CB 3.42Å; R169-E173 VanDerWaalsContact O-CG 3.28Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 3.23Å
170T98.3Very high97.5Very high46 Ų4659 Ų5928%0.28228%0.275SS..Hα-helixtrans-59.4-42178.1-53.10000111.3Q166 S167 A168 R174Q166-T170 PolarHBondContact O-N 3.34Å; Q166-T170 PolarHBondContact O-OG1 2.67Å; S167-T170 WeakPolarHBondContact O-CB 3.44Å; S167-T170 PolarHBondContact O-N 3.49Å; A168-T170 VanDerWaalsContact C-N 3.34Å; A168-T170 PolarHBondContact O-N 3.23Å; T170-R174 WeakPolarHBondContact O-CG 3.2Å; T170-R174 PolarHBondContact O-N 3Å
171Y98.3Very high97.3Very high39 Ų3962.4 Ų62.415%0.15331%0.311CS..Hα-helixtrans-62.8-48.3173.7175.7-87.2000111.8S167 A168 R169 E173 R174 H175 H190 K193 A194S167-Y171 PolarHBondContact O-N 3.07Å; A168-Y171 PolarHBondContact O-N 3.34Å; R169-Y171 VanDerWaalsContact C-N 3.29Å; R169-Y171 PolarHBondContact O-N 3.47Å; Y171-E173 VanDerWaalsContact C-N 3.35Å; Y171-E173 PolarHBondContact O-N 2.95Å; Y171-R174 PolarHBondContact O-N 3.46Å; Y171-H175 AromaticContact CD2-CE1 3.73Å; Y171-H175 AromaticContact CD2-ND1 3.86Å; Y171-H175 AromaticContact CE1-ND1 3.96Å; Y171-H175 AromaticContact CE2-CE1 3.38Å; Y171-H175 WeakPolarHBondContact CE2-CE1 3.22Å; Y171-H175 AromaticContact CE2-ND1 3.65Å; Y171-H175 AromaticContact CZ-CE1 3.8Å; Y171-H175 AromaticContact CZ-ND1 3.7Å; Y171-H175 PolarHBondContact O-N 2.84Å; Y171-H175 PolarHBondContact O-ND1 2.74Å; Y171-H190 HydrophobicContact CE1-CB 4.18Å; Y171-H190 AromaticContact CE1-ND1 3.72Å; Y171-H190 WeakPolarHBondContact CE1-O 3.29Å; Y171-H190 AromaticContact CZ-ND1 3.67Å; Y171-H190 PolarHBondContact OH-ND1 2.88Å; Y171-K193 HydrophobicContact CE1-CB 3.92Å; Y171-K193 HydrophobicContact CE2-CB 3.79Å; Y171-K193 HydrophobicContact CE2-CD 4.28Å; Y171-K193 VanDerWaalsContact CZ-CB 3.44Å; Y171-K193 WeakPolarHBondContact OH-CB 3.38Å; Y171-K193 WeakPolarHBondContact OH-CD 3.33Å; Y171-A194 HydrophobicContact CD1-CB 3.68Å; Y171-A194 HydrophobicContact CE1-CB 4.28Å; Y171-A194 HydrophobicContact CG-CB 4.43Å
172L98.5Very high97.2Very high2 Ų263.1 Ų63.11%0.0132%0.316CS..Hα-helixtrans-62.3-41.2-178.3-72.3173.6000112.4V36 L38 C158 A160 A168 R169 R174 H175 L176 F179 A194V36-L172 HydrophobicContact CG1-CD1 3.76Å; V36-L172 HydrophobicContact CG1-CD2 4.32Å; V36-L172 HydrophobicContact CG1-CG 4.44Å; L38-L172 HydrophobicContact CD1-CD2 4.17Å; C158-L172 HydrophobicContact CB-CB 4.43Å; C158-L172 HydrophobicContact CB-CD1 3.98Å; C158-L172 HydrophobicContact CB-CD2 4.1Å; C158-L172 HydrophobicContact CB-CG 4.41Å; A160-L172 HydrophobicContact CB-CD1 4.41Å; A168-L172 WeakPolarHBondContact O-CB 3.43Å; A168-L172 VanDerWaalsContact O-CG 3.26Å; A168-L172 WeakPolarHBondContact O-CG 3.46Å; A168-L172 PolarHBondContact O-N 2.92Å; R169-L172 PolarHBondContact O-N 2.77Å; R169-L172 VanDerWaalsContact O-N 3.13Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 3.33Å; L172-H175 CarbonylContact O-C 3.52Å; L172-H175 PolarHBondContact O-N 2.69Å; L172-L176 WeakPolarHBondContact O-CA 3.36Å; L172-L176 PolarHBondContact O-N 3.16Å; L172-F179 HydrophobicContact CD2-CE2 3.97Å; L172-F179 HydrophobicContact CD2-CZ 3.76Å; L172-A194 HydrophobicContact CD2-CB 3.96Å; L172-A194 HydrophobicContact CG-CB 4Å
173E97.9Very high97.2Very high128 Ų12865.5 Ų65.560%0.59833%0.332SS*.Hα-helixtrans-61.8-39.5178.5-76167.2-174.900111.6R169 Y171 H175R169-E173 WeakPolarHBondContact O-CB 3.42Å; R169-E173 VanDerWaalsContact O-CG 3.28Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 3.23Å; Y171-E173 VanDerWaalsContact C-N 3.35Å; Y171-E173 PolarHBondContact O-N 2.95Å; E173-H175 PolarHBondContact O-N 3.09Å
174R98.2Very high97.2Very high184 Ų18466.1 Ų66.169%0.69433%0.333SS*.Hα-helixtrans-65.8-35.6178-71.6173.8-175.8177.91113.1T170 Y171 L172T170-R174 WeakPolarHBondContact O-CG 3.2Å; T170-R174 PolarHBondContact O-N 3Å; Y171-R174 PolarHBondContact O-N 3.46Å; L172-R174 VanDerWaalsContact C-N 3.31Å; L172-R174 PolarHBondContact O-N 3.33Å
175H97.7Very high97.3Very high48 Ų4864 Ų6422%0.22233%0.331CS..THydrogen-bonded Turntrans-104.712.3-175.6-55.885.3000112.9Y171 L172 E173 N177 E178 F179 H190Y171-H175 AromaticContact CD2-CE1 3.73Å; Y171-H175 AromaticContact CD2-ND1 3.86Å; Y171-H175 AromaticContact CE1-ND1 3.96Å; Y171-H175 AromaticContact CE2-CE1 3.38Å; Y171-H175 WeakPolarHBondContact CE2-CE1 3.22Å; Y171-H175 AromaticContact CE2-ND1 3.65Å; Y171-H175 AromaticContact CZ-CE1 3.8Å; Y171-H175 AromaticContact CZ-ND1 3.7Å; Y171-H175 PolarHBondContact O-N 2.84Å; Y171-H175 PolarHBondContact O-ND1 2.74Å; L172-H175 CarbonylContact O-C 3.52Å; L172-H175 PolarHBondContact O-N 2.69Å; E173-H175 PolarHBondContact O-N 3.09Å; H175-N177 PolarHBondContact O-N 2.82Å; H175-E178 IonicContact CD2-OE1 3.7Å; H175-E178 PolarHBondContact CD2-OE1 2.74Å; H175-E178 IonicContact CD2-OE2 2.75Å; H175-E178 PolarHBondContact CD2-OE2 3.47Å; H175-E178 WeakPolarHBondContact O-CB 3.22Å; H175-E178 PolarHBondContact O-N 3.31Å; H175-F179 HydrophobicContact CB-CE1 3.77Å; H175-F179 HydrophobicContact CB-CZ 3.91Å; H175-F179 WeakPolarHBondContact O-CD1 3.15Å; H175-F179 VanDerWaalsContact O-CE1 3.24Å; H175-F179 WeakPolarHBondContact O-CE1 3.13Å; H175-F179 WeakPolarHBondContact O-CZ 3.43Å; H175-H190 AromaticContact CD2-CE1 3.79Å; H175-H190 AromaticContact CG-CE1 3.89Å; H175-H190 AromaticContact CG-ND1 3.94Å
176L97.3Very high97.3Very high48 Ų4867.5 Ų67.525%0.25135%0.349SS..THydrogen-bonded Turntrans-54.9-34.6-171.4-179.362.6000113.9K157 L172 E178 F179K157-L176 HydrophobicContact CB-CD1 3.8Å; K157-L176 HydrophobicContact CD-CD1 3.86Å; K157-L176 HydrophobicContact CD-CD2 4.39Å; K157-L176 HydrophobicContact CD-CG 4.34Å; L172-L176 WeakPolarHBondContact O-CA 3.36Å; L172-L176 PolarHBondContact O-N 3.16Å; L176-E178 VanDerWaalsContact C-N 3.31Å; L176-F179 HydrophobicContact CD1-CD2 4.17Å; L176-F179 HydrophobicContact CD1-CE2 4.23Å
177N97.3Very high97.3Very high151 Ų15162.4 Ų62.481%0.80733%0.325SS*.THydrogen-bonded Turntrans-77.2-18.6-176.5-64.9-35.5000112.9H175H175-N177 PolarHBondContact O-N 2.82Å
178E97Very high97.3Very high96 Ų9660.3 Ų60.345%0.44931%0.311SS..THydrogen-bonded Turntrans-79.5-29.5-178.2-63.8165.3-147.800111.3H175 L176 K180 S182 H190H175-E178 IonicContact CD2-OE1 3.7Å; H175-E178 PolarHBondContact CD2-OE1 2.74Å; H175-E178 IonicContact CD2-OE2 2.75Å; H175-E178 PolarHBondContact CD2-OE2 3.47Å; H175-E178 WeakPolarHBondContact O-CB 3.22Å; H175-E178 PolarHBondContact O-N 3.31Å; L176-E178 VanDerWaalsContact C-N 3.31Å; E178-K180 PolarHBondContact O-N 3.26Å; E178-S182 WeakPolarHBondContact O-CB 3.36Å; E178-S182 PolarHBondContact O-N 3.12Å; E178-H190 IonicContact OE2-CE1 2.81Å; E178-H190 PolarHBondContact OE2-CE1 2.73Å; E178-H190 IonicContact OE2-NE2 3.11Å; E178-H190 PolarHBondContact OE2-NE2 2.94Å
179F96.7Very high97.3Very high3 Ų360.7 Ų60.71%0.01331%0.313CS..THydrogen-bonded Turntrans-63.2-43.1-170.3-53.7-26.1000113.6L38 N40 C158 L172 H175 L176 G181 S182 L187 H190L38-F179 HydrophobicContact CD1-CD1 4.35Å; L38-F179 HydrophobicContact CD1-CE1 4.32Å; L38-F179 HydrophobicContact CD1-CZ 4.42Å; N40-F179 WeakPolarHBondContact CA-O 3.11Å; N40-F179 WeakPolarHBondContact CB-O 3.31Å; C158-F179 HydrophobicContact CB-CD2 4.28Å; C158-F179 HydrophobicContact CB-CE2 3.97Å; L172-F179 HydrophobicContact CD2-CE2 3.97Å; L172-F179 HydrophobicContact CD2-CZ 3.76Å; H175-F179 HydrophobicContact CB-CE1 3.77Å; H175-F179 HydrophobicContact CB-CZ 3.91Å; H175-F179 WeakPolarHBondContact O-CD1 3.15Å; H175-F179 VanDerWaalsContact O-CE1 3.24Å; H175-F179 WeakPolarHBondContact O-CE1 3.13Å; H175-F179 WeakPolarHBondContact O-CZ 3.43Å; L176-F179 HydrophobicContact CD1-CD2 4.17Å; L176-F179 HydrophobicContact CD1-CE2 4.23Å; F179-G181 VanDerWaalsContact C-N 3.33Å; F179-G181 PolarHBondContact O-N 3.22Å; F179-S182 WeakPolarHBondContact O-CB 3.35Å; F179-S182 PolarHBondContact O-N 3.26Å; F179-S182 VanDerWaalsContact O-N 3.16Å; F179-S182 PolarHBondContact O-OG 2.91Å; F179-L187 HydrophobicContact CB-CD1 4.19Å; F179-H190 HydrophobicContact CD1-CB 4.28Å; F179-H190 HydrophobicContact CE1-CB 3.72Å; F179-H190 AromaticContact CE1-CD2 3.97Å; F179-H190 AromaticContact CE1-CG 3.53Å; F179-H190 AromaticContact CE1-ND1 3.66Å
180K94.6Very high97.3Very high113 Ų11358.4 Ų58.449%0.49131%0.305SS..THydrogen-bonded Turntrans-55.3-46.3-171.6-78.3-171.5175-173.70113H41 E178H41-K180 PolarHBondContact CD2-O 3.27Å; H41-K180 PolarHBondContact N-O 2.68Å; E178-K180 PolarHBondContact O-N 3.26Å
181G94.7Very high97.3Very high73 Ų7356.2 Ų56.275%0.75329%0.292SS*.THydrogen-bonded Turntrans-97.74.8-178.500000114.8F179F179-G181 VanDerWaalsContact C-N 3.33Å; F179-G181 PolarHBondContact O-N 3.22Å
182S96.5Very high97.3Very high17 Ų1754.3 Ų54.312%0.11929%0.285CS..  trans-70.5151.8-178.465.20000112.3N40 E178 F179N40-S182 PolarHBondContact ND2-O 3.47Å; E178-S182 WeakPolarHBondContact O-CB 3.36Å; E178-S182 PolarHBondContact O-N 3.12Å; F179-S182 WeakPolarHBondContact O-CB 3.35Å; F179-S182 PolarHBondContact O-N 3.26Å; F179-S182 VanDerWaalsContact O-N 3.16Å; F179-S182 PolarHBondContact O-OG 2.91Å
183S96.9Very high97.2Very high54 Ų5456.6 Ų56.638%0.37829%0.294SS..  trans-67.5167.1168.4720000111D185 D186 L187S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 PolarHBondContact O-N 3.2Å; S183-D186 WeakPolarHBondContact CB-OD2 3.32Å; S183-D186 PolarHBondContact N-OD2 2.85Å; S183-D186 PolarHBondContact O-N 2.74Å; S183-D186 PolarHBondContact OG-N 3.05Å; S183-D186 VanDerWaalsContact OG-N 3.16Å; S183-D186 PolarHBondContact OG-OD2 3.48Å; S183-L187 WeakPolarHBondContact O-CB 3.44Å; S183-L187 PolarHBondContact O-N 3.1Å
184L97.1Very high97.2Very high35 Ų3550.5 Ų50.518%0.18327%0.266CS..Hα-helixtrans-58.9-43174.8175.758.5000111.3Y43 I45 L187 I188 I214Y43-L184 HydrophobicContact CD1-CD1 4.24Å; Y43-L184 HydrophobicContact CD1-CD2 4.45Å; Y43-L184 HydrophobicContact CD2-CB 4.19Å; Y43-L184 HydrophobicContact CD2-CD1 4.27Å; Y43-L184 HydrophobicContact CE1-CD2 4.32Å; Y43-L184 HydrophobicContact CE2-CB 4.25Å; Y43-L184 HydrophobicContact CG-CD1 3.92Å; I45-L184 HydrophobicContact CG2-CD1 4.16Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.93Å; L184-I188 HydrophobicContact CD1-CD1 3.88Å; L184-I188 HydrophobicContact CD1-CG1 4.19Å; L184-I188 HydrophobicContact CG-CD1 3.84Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.23Å; L184-I188 WeakPolarHBondContact O-CG1 3.27Å; L184-I188 PolarHBondContact O-N 3.42Å; L184-I214 HydrophobicContact CD1-CD1 4.34Å; L184-I214 HydrophobicContact CD1-CG2 3.76Å; L184-I214 HydrophobicContact CD2-CD1 4.42Å; L184-I214 HydrophobicContact CD2-CG2 4.31Å
185D97.1Very high97.2Very high78 Ų7841.7 Ų41.742%0.41723%0.233SC..Hα-helixtrans-63.3-46-180-74.5-4.2000111.5S183 L187 I188 C189 L235S183-D185 VanDerWaalsContact C-N 3.28Å; S183-D185 PolarHBondContact O-N 3.2Å; D185-L187 VanDerWaalsContact C-N 3.35Å; D185-L187 PolarHBondContact O-N 3.28Å; D185-I188 PolarHBondContact O-N 3.18Å; D185-C189 PolarHBondContact O-N 2.91Å; D185-C189 PolarHBondContact O-SG 2.81Å; D185-C189 VanDerWaalsContact O-SG 3.41Å; D185-L235 HydrophobicContact CB-CD2 3.78Å
186D97.1Very high97.2Very high82 Ų8241.4 Ų41.444%0.43923%0.233SC..Hα-helixtrans-60.8-44.3175.1-65-41.3000111.5S183 I188 C189 H190S183-D186 WeakPolarHBondContact CB-OD2 3.32Å; S183-D186 PolarHBondContact N-OD2 2.85Å; S183-D186 PolarHBondContact O-N 2.74Å; S183-D186 PolarHBondContact OG-N 3.05Å; S183-D186 VanDerWaalsContact OG-N 3.16Å; S183-D186 PolarHBondContact OG-OD2 3.48Å; D186-I188 VanDerWaalsContact C-N 3.31Å; D186-I188 PolarHBondContact O-N 2.95Å; D186-C189 WeakPolarHBondContact O-CB 3.36Å; D186-C189 PolarHBondContact O-N 2.71Å; D186-H190 PolarHBondContact O-CD2 2.87Å; D186-H190 PolarHBondContact O-N 3.28Å
187L98Very high97.2Very high0 Ų041.2 Ų41.20%024%0.235CC..Hα-helixtrans-59.2-44.1177.9-17270.5000110.8L38 N40 I45 F179 S183 L184 D185 H190 G191L38-L187 HydrophobicContact CB-CD1 4.45Å; L38-L187 HydrophobicContact CD1-CD1 3.65Å; L38-L187 HydrophobicContact CD1-CG 4.27Å; L38-L187 HydrophobicContact CG-CD1 3.8Å; L38-L187 HydrophobicContact CG-CG 4.2Å; N40-L187 HydrophobicContact CB-CD1 4.28Å; N40-L187 HydrophobicContact CB-CD2 4.14Å; I45-L187 HydrophobicContact CD1-CD2 4.43Å; I45-L187 HydrophobicContact CD1-CG 3.98Å; I45-L187 WeakPolarHBondContact CD1-O 3.45Å; I45-L187 HydrophobicContact CG1-CD2 4.27Å; I45-L187 HydrophobicContact CG1-CG 4.23Å; I45-L187 HydrophobicContact CG2-CD2 4.1Å; F179-L187 HydrophobicContact CB-CD1 4.19Å; S183-L187 WeakPolarHBondContact O-CB 3.44Å; S183-L187 PolarHBondContact O-N 3.1Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.93Å; D185-L187 VanDerWaalsContact C-N 3.35Å; D185-L187 PolarHBondContact O-N 3.28Å; L187-H190 PolarHBondContact O-N 3.28Å; L187-G191 PolarHBondContact O-N 2.81Å
188I98.2Very high97.1Very high0 Ų034.1 Ų34.10%020%0.197CC..Hα-helixtrans-62.7-45.4175.5-67164000110.7I45 L184 D185 D186 H190 G191 L192 L212 I214 Y232I45-I188 VanDerWaalsContact CD1-CA 3.5Å; I45-I188 HydrophobicContact CD1-CB 4.31Å; I45-I188 HydrophobicContact CD1-CG1 3.92Å; I45-I188 HydrophobicContact CG2-CG1 4.38Å; L184-I188 HydrophobicContact CD1-CD1 3.88Å; L184-I188 HydrophobicContact CD1-CG1 4.19Å; L184-I188 HydrophobicContact CG-CD1 3.84Å; L184-I188 WeakPolarHBondContact O-CD1 3.41Å; L184-I188 VanDerWaalsContact O-CG1 3.23Å; L184-I188 WeakPolarHBondContact O-CG1 3.27Å; L184-I188 PolarHBondContact O-N 3.42Å; D185-I188 PolarHBondContact O-N 3.18Å; D186-I188 VanDerWaalsContact C-N 3.31Å; D186-I188 PolarHBondContact O-N 2.95Å; I188-H190 VanDerWaalsContact C-N 3.35Å; I188-H190 PolarHBondContact O-N 2.98Å; I188-G191 WeakPolarHBondContact O-CA 3.43Å; I188-G191 PolarHBondContact O-N 2.75Å; I188-G191 VanDerWaalsContact O-N 3.1Å; I188-L192 HydrophobicContact CG2-CD1 3.89Å; I188-L192 HydrophobicContact CG2-CG 4.29Å; I188-L192 WeakPolarHBondContact O-CG 3.45Å; I188-L192 PolarHBondContact O-N 2.68Å; I188-L212 HydrophobicContact CD1-CD2 4.23Å; I188-L212 HydrophobicContact CG1-CD1 4.3Å; I188-L212 HydrophobicContact CG1-CD2 4.41Å; I188-L212 HydrophobicContact CG2-CD1 4.37Å; I188-L212 HydrophobicContact CG2-CD2 3.98Å; I188-I214 HydrophobicContact CD1-CD1 3.63Å; I188-I214 HydrophobicContact CD1-CG1 4.41Å; I188-I214 HydrophobicContact CG1-CD1 4.47Å; I188-Y232 HydrophobicContact CD1-CD1 3.63Å; I188-Y232 HydrophobicContact CD1-CE1 3.45Å; I188-Y232 VanDerWaalsContact CD1-CE1 3.45Å; I188-Y232 HydrophobicContact CG2-CD1 3.96Å; I188-Y232 HydrophobicContact CG2-CG 4.22Å
189C97.7Very high97Very high8 Ų830.3 Ų30.35%0.05418%0.18CC..Hα-helixtrans-59.3-42.1176.1-740000112.5D185 D186 G191 L192 K193 L235D185-C189 PolarHBondContact O-N 2.91Å; D185-C189 PolarHBondContact O-SG 2.81Å; D185-C189 VanDerWaalsContact O-SG 3.41Å; D186-C189 WeakPolarHBondContact O-CB 3.36Å; D186-C189 PolarHBondContact O-N 2.71Å; C189-G191 VanDerWaalsContact C-N 3.35Å; C189-L192 PolarHBondContact O-N 3.46Å; C189-K193 WeakPolarHBondContact O-CB 3.5Å; C189-K193 VanDerWaalsContact O-CG 3.27Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.25Å; C189-L235 VanDerWaalsContact SG-CD2 3.54Å
190H98Very high96.8Very high21 Ų2132.2 Ų32.210%0.09719%0.193CC..Hα-helixtrans-63.1-40.8173.4-77.2-75.9000112.3L38 Y171 H175 E178 F179 D186 L187 I188 A194L38-H190 HydrophobicContact CD1-CB 3.97Å; Y171-H190 HydrophobicContact CE1-CB 4.18Å; Y171-H190 AromaticContact CE1-ND1 3.72Å; Y171-H190 WeakPolarHBondContact CE1-O 3.29Å; Y171-H190 AromaticContact CZ-ND1 3.67Å; Y171-H190 PolarHBondContact OH-ND1 2.88Å; H175-H190 AromaticContact CD2-CE1 3.79Å; H175-H190 AromaticContact CG-CE1 3.89Å; H175-H190 AromaticContact CG-ND1 3.94Å; E178-H190 IonicContact OE2-CE1 2.81Å; E178-H190 PolarHBondContact OE2-CE1 2.73Å; E178-H190 IonicContact OE2-NE2 3.11Å; E178-H190 PolarHBondContact OE2-NE2 2.94Å; F179-H190 HydrophobicContact CD1-CB 4.28Å; F179-H190 HydrophobicContact CE1-CB 3.72Å; F179-H190 AromaticContact CE1-CD2 3.97Å; F179-H190 AromaticContact CE1-CG 3.53Å; F179-H190 AromaticContact CE1-ND1 3.66Å; D186-H190 PolarHBondContact O-CD2 2.87Å; D186-H190 PolarHBondContact O-N 3.28Å; L187-H190 PolarHBondContact O-N 3.28Å; I188-H190 VanDerWaalsContact C-N 3.35Å; I188-H190 PolarHBondContact O-N 2.98Å; H190-A194 VanDerWaalsContact O-CB 3.32Å; H190-A194 WeakPolarHBondContact O-CB 3.45Å; H190-A194 PolarHBondContact O-N 3.07Å
191G98.3Very high96.5Very high0 Ų034.7 Ų34.70%021%0.211CC..Hα-helixtrans-57.4-51.7173.700000111.9V47 L187 I188 C189 A194 L195V47-G191 WeakPolarHBondContact CG2-O 3.42Å; L187-G191 PolarHBondContact O-N 2.81Å; I188-G191 WeakPolarHBondContact O-CA 3.43Å; I188-G191 PolarHBondContact O-N 2.75Å; I188-G191 VanDerWaalsContact O-N 3.1Å; C189-G191 VanDerWaalsContact C-N 3.35Å; G191-A194 WeakPolarHBondContact O-CB 3.32Å; G191-A194 PolarHBondContact O-N 2.84Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 2.95Å
192L98.1Very high96.2Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-65.5-40.8-179.3-68.2173.5000112.2V47 I188 C189 A194 L195 N196 L205 Y232 L233 F236V47-L192 HydrophobicContact CG1-CD2 4.04Å; V47-L192 HydrophobicContact CG1-CG 4.43Å; I188-L192 HydrophobicContact CG2-CD1 3.89Å; I188-L192 HydrophobicContact CG2-CG 4.29Å; I188-L192 WeakPolarHBondContact O-CG 3.45Å; I188-L192 PolarHBondContact O-N 2.68Å; C189-L192 PolarHBondContact O-N 3.46Å; L192-A194 PolarHBondContact O-N 2.96Å; L192-L195 PolarHBondContact O-N 3.48Å; L192-N196 VanDerWaalsContact O-CB 3.23Å; L192-N196 WeakPolarHBondContact O-CB 3.23Å; L192-N196 PolarHBondContact O-N 3.03Å; L192-L205 HydrophobicContact CB-CD1 4.4Å; L192-L205 HydrophobicContact CD2-CD1 4.1Å; L192-Y232 WeakPolarHBondContact CD1-O 3.45Å; L192-L233 HydrophobicContact CD1-CD2 4.44Å; L192-L233 HydrophobicContact CD2-CD2 4.27Å; L192-F236 HydrophobicContact CB-CB 4.17Å; L192-F236 HydrophobicContact CB-CD2 3.62Å; L192-F236 HydrophobicContact CB-CE2 4.1Å; L192-F236 HydrophobicContact CB-CG 3.88Å; L192-F236 HydrophobicContact CD1-CB 3.63Å; L192-F236 HydrophobicContact CD1-CG 4.15Å
193K97.6Very high95.9Very high49 Ų4941.4 Ų41.421%0.21323%0.225CC..Hα-helixtrans-60.9-43.9172.8-73.9172.4177.9178.90111.8Y171 C189 N196 S197 F236Y171-K193 HydrophobicContact CE1-CB 3.92Å; Y171-K193 HydrophobicContact CE2-CB 3.79Å; Y171-K193 HydrophobicContact CE2-CD 4.28Å; Y171-K193 VanDerWaalsContact CZ-CB 3.44Å; Y171-K193 WeakPolarHBondContact OH-CB 3.38Å; Y171-K193 WeakPolarHBondContact OH-CD 3.33Å; C189-K193 WeakPolarHBondContact O-CB 3.5Å; C189-K193 VanDerWaalsContact O-CG 3.27Å; C189-K193 WeakPolarHBondContact O-CG 3.45Å; C189-K193 PolarHBondContact O-N 3.25Å; K193-N196 PolarHBondContact O-N 2.91Å; K193-S197 PolarHBondContact O-N 3.48Å; K193-S197 VanDerWaalsContact O-N 3.12Å; K193-F236 HydrophobicContact CB-CE2 4.29Å; K193-F236 HydrophobicContact CG-CD2 3.89Å; K193-F236 HydrophobicContact CG-CE2 3.62Å
194A98.1Very high95.7Very high0 Ų042.4 Ų42.40%023%0.232CC..Hα-helixtrans-61.8-47.1174.800000111.3V36 A168 Y171 L172 H190 G191 L192 S197V36-A194 HydrophobicContact CG1-CB 4.05Å; V36-A194 HydrophobicContact CG2-CB 4.33Å; A168-A194 HydrophobicContact CB-CB 4.2Å; A168-A194 VanDerWaalsContact CB-O 3.27Å; A168-A194 WeakPolarHBondContact CB-O 3.4Å; Y171-A194 HydrophobicContact CD1-CB 3.68Å; Y171-A194 HydrophobicContact CE1-CB 4.28Å; Y171-A194 HydrophobicContact CG-CB 4.43Å; L172-A194 HydrophobicContact CD2-CB 3.96Å; L172-A194 HydrophobicContact CG-CB 4Å; H190-A194 VanDerWaalsContact O-CB 3.32Å; H190-A194 WeakPolarHBondContact O-CB 3.45Å; H190-A194 PolarHBondContact O-N 3.07Å; G191-A194 WeakPolarHBondContact O-CB 3.32Å; G191-A194 PolarHBondContact O-N 2.84Å; L192-A194 PolarHBondContact O-N 2.96Å; A194-S197 PolarHBondContact O-N 3.02Å; A194-S197 PolarHBondContact O-OG 2.81Å
195L98Very high95.7Very high0 Ų041 Ų410%023%0.225CC..Hα-helixtrans-63.5-42.9178.7-173.666.4000112A34 V36 V47 L49 G191 L192 S197 T198 L205A34-L195 HydrophobicContact CB-CD1 3.94Å; V36-L195 HydrophobicContact CG2-CB 4.26Å; V36-L195 HydrophobicContact CG2-CD1 4.17Å; V47-L195 HydrophobicContact CB-CD2 4.02Å; V47-L195 HydrophobicContact CG2-CB 3.87Å; V47-L195 HydrophobicContact CG2-CD2 4.11Å; V47-L195 HydrophobicContact CG2-CG 4.46Å; L49-L195 HydrophobicContact CB-CD1 4.1Å; G191-L195 WeakPolarHBondContact O-CB 3.45Å; G191-L195 PolarHBondContact O-N 2.95Å; L192-L195 PolarHBondContact O-N 3.48Å; L195-S197 VanDerWaalsContact C-N 3.25Å; L195-S197 PolarHBondContact O-N 3Å; L195-T198 WeakPolarHBondContact O-CB 3.31Å; L195-T198 PolarHBondContact O-N 3.26Å; L195-T198 PolarHBondContact O-OG1 3.03Å; L195-L205 HydrophobicContact CB-CD1 4.49Å; L195-L205 HydrophobicContact CD2-CD1 4.39Å; L195-L205 HydrophobicContact CD2-CD2 3.81Å; L195-L205 HydrophobicContact CG-CD2 4.14Å
196N97Very high95.6Very high42 Ų4240 Ų4023%0.22522%0.22CC..Hα-helixtrans-59.9-37178.2-169.770.7000111.6L192 K193 T198 L199 L205 F236L192-N196 VanDerWaalsContact O-CB 3.23Å; L192-N196 WeakPolarHBondContact O-CB 3.23Å; L192-N196 PolarHBondContact O-N 3.03Å; K193-N196 PolarHBondContact O-N 2.91Å; N196-T198 PolarHBondContact O-N 3.19Å; N196-L199 WeakPolarHBondContact O-CB 3.27Å; N196-L199 PolarHBondContact O-N 3.23Å; N196-L205 HydrophobicContact CB-CD1 3.93Å; N196-L205 HydrophobicContact CB-CG 4.4Å; N196-F236 HydrophobicContact CB-CE2 4.37Å; N196-F236 HydrophobicContact CB-CZ 3.82Å
197S96.5Very high95.5Very high44 Ų4438.5 Ų38.531%0.30821%0.211SC..THydrogen-bonded Turntrans-62.3-14.717580.30000114.1S167 A168 K193 A194 L195S167-S197 VanDerWaalsContact C-OG 3.26Å; S167-S197 VanDerWaalsContact CB-O 3.29Å; S167-S197 WeakPolarHBondContact CB-O 3.42Å; S167-S197 VanDerWaalsContact OG-C 3.26Å; S167-S197 PolarHBondContact OG-O 2.6Å; A168-S197 VanDerWaalsContact CA-OG 3.31Å; A168-S197 WeakPolarHBondContact CA-OG 3.36Å; A168-S197 PolarHBondContact N-OG 3.45Å; A168-S197 VanDerWaalsContact N-OG 3.12Å; K193-S197 PolarHBondContact O-N 3.48Å; K193-S197 VanDerWaalsContact O-N 3.12Å; A194-S197 PolarHBondContact O-N 3.02Å; A194-S197 PolarHBondContact O-OG 2.81Å; L195-S197 VanDerWaalsContact C-N 3.25Å; L195-S197 PolarHBondContact O-N 3Å
198T96.4Very high95.3Very high1 Ų144.8 Ų44.81%0.00624%0.239CC..THydrogen-bonded Turntrans-86.8-10.5175.175.90000113.3A34 R164 A168 L195 N196A34-T198 HydrophobicContact CB-CG2 3.9Å; A34-T198 VanDerWaalsContact CB-OG1 3.29Å; A34-T198 WeakPolarHBondContact CB-OG1 3.44Å; R164-T198 WeakPolarHBondContact CD-O 3.39Å; R164-T198 PolarHBondContact NH1-O 3.07Å; A168-T198 HydrophobicContact CB-CG2 3.58Å; L195-T198 WeakPolarHBondContact O-CB 3.31Å; L195-T198 PolarHBondContact O-N 3.26Å; L195-T198 PolarHBondContact O-OG1 3.03Å; N196-T198 PolarHBondContact O-N 3.19Å
199L95Very high95.2Very high17 Ų1745.1 Ų45.19%0.08924%0.241CC..SBendtrans-82.5155.2-179.6-68.3173.5000111.8L49 N196 V203 L205L49-L199 HydrophobicContact CD1-CD2 3.69Å; L49-L199 HydrophobicContact CD2-CD2 3.55Å; L49-L199 HydrophobicContact CG-CD2 4.27Å; N196-L199 WeakPolarHBondContact O-CB 3.27Å; N196-L199 PolarHBondContact O-N 3.23Å; L199-V203 WeakPolarHBondContact CB-O 3.41Å; L199-V203 WeakPolarHBondContact CD1-O 3.34Å; L199-V203 HydrophobicContact CD2-CG1 4.18Å; L199-L205 HydrophobicContact CD1-CD2 3.74Å; L199-L205 HydrophobicContact CD1-CG 3.81Å
200P91.2Very high95.2Very high43 Ų4344.8 Ų44.828%0.27924%0.238SC..  trans-64.5156.8162.5-9.428.2000109.9E202 V203P200-E202 WeakPolarHBondContact CB-OE2 3.36Å; P200-E202 PolarHBondContact O-N 3.34Å; P200-E202 VanDerWaalsContact O-N 3.11Å; P200-V203 HydrophobicContact CB-CG2 4.48Å; P200-V203 HydrophobicContact CG-CG2 4.12Å; P200-V203 PolarHBondContact O-N 2.85Å; P200-V203 VanDerWaalsContact O-N 3.08Å
201N88.3Confident95.2Very high164 Ų16443.8 Ų43.888%0.87723%0.233SC*.THydrogen-bonded Turntrans-60.9-25-177.3-67.7-15.6000113.3V203N201-V203 VanDerWaalsContact C-N 3.33Å
202E88.4Confident95.2Very high165 Ų16543.8 Ų43.877%0.77123%0.233SC*.THydrogen-bonded Turntrans-84.4-5.7-178.4-51.777-163.800113.4P200P200-E202 WeakPolarHBondContact CB-OE2 3.36Å; P200-E202 PolarHBondContact O-N 3.34Å; P200-E202 VanDerWaalsContact O-N 3.11Å
203V91.4Very high95.3Very high66 Ų6643.8 Ų43.840%0.423%0.233SC..  trans-120.4121.6-175.8-172.50000110L199 P200 N201L199-V203 WeakPolarHBondContact CB-O 3.41Å; L199-V203 WeakPolarHBondContact CD1-O 3.34Å; L199-V203 HydrophobicContact CD2-CG1 4.18Å; P200-V203 HydrophobicContact CB-CG2 4.48Å; P200-V203 HydrophobicContact CG-CG2 4.12Å; P200-V203 PolarHBondContact O-N 2.85Å; P200-V203 VanDerWaalsContact O-N 3.08Å; N201-V203 VanDerWaalsContact C-N 3.33Å
204S92.9Very high95.3Very high75 Ų7541.4 Ų41.452%0.52422%0.223SC..  trans-96.7159.3170.357.60000111.9N209S204-N209 PolarHBondContact O-ND2 3.44Å
205L95.8Very high95.3Very high5 Ų541.5 Ų41.53%0.02622%0.224CC..  trans-65.7140.4165.8-66.6172.9000109.8L49 L192 L195 N196 L199 N209 C210 L233 F236L49-L205 HydrophobicContact CD1-CD2 4.38Å; L192-L205 HydrophobicContact CB-CD1 4.4Å; L192-L205 HydrophobicContact CD2-CD1 4.1Å; L195-L205 HydrophobicContact CB-CD1 4.49Å; L195-L205 HydrophobicContact CD2-CD1 4.39Å; L195-L205 HydrophobicContact CD2-CD2 3.81Å; L195-L205 HydrophobicContact CG-CD2 4.14Å; N196-L205 HydrophobicContact CB-CD1 3.93Å; N196-L205 HydrophobicContact CB-CG 4.4Å; L199-L205 HydrophobicContact CD1-CD2 3.74Å; L199-L205 HydrophobicContact CD1-CG 3.81Å; L205-N209 WeakPolarHBondContact CA-OD1 3.43Å; L205-C210 HydrophobicContact CD2-CB 4.21Å; L205-L233 HydrophobicContact CB-CD2 4.01Å; L205-F236 HydrophobicContact CD1-CE1 4.41Å; L205-F236 HydrophobicContact CD1-CZ 4.44Å
206N95.1Very high95.3Very high58 Ų5841.8 Ų41.831%0.3123%0.226SC..  trans-149.2171.9176.26359.7000110.4K208 N209 C210 L233N206-K208 PolarHBondContact O-N 2.99Å; N206-K208 VanDerWaalsContact O-N 3.09Å; N206-K208 WeakPolarHBondContact OD1-CA 3.18Å; N206-K208 WeakPolarHBondContact OD1-CB 3.42Å; N206-K208 PolarHBondContact OD1-N 3.48Å; N206-N209 PolarHBondContact N-OD1 3.14Å; N206-N209 PolarHBondContact ND2-ND2 2.86Å; N206-N209 PolarHBondContact O-N 3.15Å; N206-N209 PolarHBondContact O-OD1 3.3Å; N206-N209 VanDerWaalsContact O-OD1 3.09Å; N206-N209 PolarHBondContact OD1-N 3.32Å; N206-C210 WeakPolarHBondContact O-CB 3.48Å; N206-C210 PolarHBondContact O-N 3.15Å; N206-L233 VanDerWaalsContact C-CD1 3.4Å
207I95.8Very high95.1Very high51 Ų5145.5 Ų45.526%0.26224%0.241SC..THydrogen-bonded Turntrans-47.1-38.5178.7-71.7173.9000113.1D226 D230 L233I207-D226 HydrophobicContact CG2-CB 4.43Å; I207-D226 WeakPolarHBondContact CG2-O 3.34Å; I207-D230 HydrophobicContact CD1-CB 4Å; I207-D230 HydrophobicContact CG1-CB 4.12Å; I207-L233 HydrophobicContact CG1-CD1 4.26Å
208K94.6Very high94.8Very high132 Ų13250.9 Ų50.957%0.57427%0.266SS*.THydrogen-bonded Turntrans-85.5-32.9-174.6-57.9-176.9178.1179.50113.4K50 Y59 N206K50-K208 WeakPolarHBondContact CE-O 3.48Å; Y59-K208 WeakPolarHBondContact CD1-O 3.42Å; Y59-K208 HydrophobicContact CD2-CB 3.88Å; Y59-K208 HydrophobicContact CE2-CB 3.53Å; Y59-K208 HydrophobicContact CE2-CD 4.18Å; Y59-K208 HydrophobicContact CE2-CG 4.45Å; N206-K208 PolarHBondContact O-N 2.99Å; N206-K208 VanDerWaalsContact O-N 3.09Å; N206-K208 WeakPolarHBondContact OD1-CA 3.18Å; N206-K208 WeakPolarHBondContact OD1-CB 3.42Å; N206-K208 PolarHBondContact OD1-N 3.48Å
209N95.5Very high94.8Very high7 Ų753.1 Ų53.14%0.03728%0.277CS..THydrogen-bonded Turntrans-98.9-10.4-173.576.87.1000113.9L49 K50 Y59 S204 L205 N206L49-N209 CarbonylContact C-O 3.54Å; L49-N209 WeakPolarHBondContact CA-O 3.39Å; L49-N209 HydrophobicContact CD1-CB 4.19Å; K50-N209 PolarHBondContact N-O 3.35Å; Y59-N209 HydrophobicContact CD1-CB 4.25Å; Y59-N209 HydrophobicContact CE1-CB 3.61Å; S204-N209 PolarHBondContact O-ND2 3.44Å; L205-N209 WeakPolarHBondContact CA-OD1 3.43Å; N206-N209 PolarHBondContact N-OD1 3.14Å; N206-N209 PolarHBondContact ND2-ND2 2.86Å; N206-N209 PolarHBondContact O-N 3.15Å; N206-N209 PolarHBondContact O-OD1 3.3Å; N206-N209 VanDerWaalsContact O-OD1 3.09Å; N206-N209 PolarHBondContact OD1-N 3.32Å
210C97.6Very high94.9Very high0 Ų058.6 Ų58.60%030%0.3CS..EExtended strand (participates in β ladder)trans-108.4143.7-178.3-1650000111.1K50 L205 N206 I229 L233K50-C210 VanDerWaalsContact CE-O 3.3Å; K50-C210 WeakPolarHBondContact CE-O 3.37Å; L205-C210 HydrophobicContact CD2-CB 4.21Å; N206-C210 WeakPolarHBondContact O-CB 3.48Å; N206-C210 PolarHBondContact O-N 3.15Å; C210-I229 HydrophobicContact CB-CD1 3.82Å; C210-I229 VanDerWaalsContact SG-CD1 3.51Å; C210-L233 HydrophobicContact CB-CD2 4.32Å
211S98Very high95.3Very high0 Ų056.7 Ų56.70%029%0.288CS..EExtended strand (participates in β ladder)trans-136.1134.1173.21740000107.7V47 A48 I63 E225V47-S211 CarbonylContact C-O 3.46Å; V47-S211 VanDerWaalsContact CA-O 3.31Å; V47-S211 WeakPolarHBondContact CA-O 3.47Å; A48-S211 PolarHBondContact N-O 3.09Å; A48-S211 PolarHBondContact O-N 2.9Å; I63-S211 VanDerWaalsContact CD1-OG 3.25Å; I63-S211 WeakPolarHBondContact CD1-OG 3.41Å; S211-E225 VanDerWaalsContact CB-OE1 3.25Å; S211-E225 WeakPolarHBondContact CB-OE1 3.49Å; S211-E225 WeakPolarHBondContact OG-CG 3.36Å; S211-E225 PolarHBondContact OG-OE1 3.46Å
212L98.6Very high95.8Very high0 Ų051.4 Ų51.40%026%0.261CS..EExtended strand (participates in β ladder)trans-121.7141.8178.9167.267.4000108.1I45 I46 V47 I188 I214 I223 F224 I229 Y232I45-L212 HydrophobicContact CB-CD1 4.36Å; I46-L212 CarbonylContact O-C 3.58Å; I46-L212 WeakPolarHBondContact O-CA 3.47Å; V47-L212 HydrophobicContact CG1-CB 4.41Å; V47-L212 HydrophobicContact CG1-CD1 3.55Å; I188-L212 HydrophobicContact CD1-CD2 4.23Å; I188-L212 HydrophobicContact CG1-CD1 4.3Å; I188-L212 HydrophobicContact CG1-CD2 4.41Å; I188-L212 HydrophobicContact CG2-CD1 4.37Å; I188-L212 HydrophobicContact CG2-CD2 3.98Å; L212-I214 HydrophobicContact CD1-CG1 4.13Å; L212-I214 HydrophobicContact CD2-CD1 4.13Å; L212-I214 HydrophobicContact CD2-CG1 4.32Å; L212-I214 HydrophobicContact CG-CD1 4.45Å; L212-I214 HydrophobicContact CG-CG1 4.11Å; L212-I223 CarbonylContact O-C 3.41Å; L212-I223 WeakPolarHBondContact O-CA 3.45Å; L212-F224 HydrophobicContact CB-CB 4.29Å; L212-F224 HydrophobicContact CD2-CD2 4.38Å; L212-F224 HydrophobicContact CG-CD2 4.33Å; L212-F224 PolarHBondContact N-O 3.21Å; L212-F224 PolarHBondContact O-N 3.37Å; L212-I229 HydrophobicContact CB-CD1 3.71Å; L212-I229 HydrophobicContact CB-CG1 4Å; L212-Y232 HydrophobicContact CD2-CD1 4.26Å; L212-Y232 HydrophobicContact CD2-CD2 3.58Å; L212-Y232 HydrophobicContact CD2-CE2 3.9Å; L212-Y232 HydrophobicContact CD2-CG 3.75Å
213A98.7Very high96.3Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-135.9143.416500000111.1I45 I46 I63 F221 T222 I223I45-A213 CarbonylContact C-O 3.55Å; I45-A213 WeakPolarHBondContact CA-O 3.45Å; I45-A213 WeakPolarHBondContact CB-O 3.47Å; I46-A213 PolarHBondContact N-O 2.85Å; I46-A213 PolarHBondContact O-N 3.07Å; I63-A213 HydrophobicContact CD1-CB 3.8Å; I63-A213 HydrophobicContact CG2-CB 3.8Å; A213-F221 HydrophobicContact CB-CE1 3.77Å; A213-F221 HydrophobicContact CB-CE2 3.97Å; A213-F221 HydrophobicContact CB-CZ 3.34Å; A213-T222 CarbonylContact C-O 3.58Å; A213-T222 WeakPolarHBondContact CA-O 3.41Å; A213-T222 WeakPolarHBondContact CB-O 3.39Å; A213-I223 HydrophobicContact CB-CG1 4.17Å
214I98.6Very high96.6Very high0 Ų044.5 Ų44.50%023%0.225CC..EExtended strand (participates in β ladder)trans-128.1140-175-52.6172000108.4Y43 I45 L184 I188 L212 M219 F221 T222 F224Y43-I214 HydrophobicContact CD1-CG2 4.18Å; I45-I214 HydrophobicContact CG2-CB 4.31Å; I45-I214 HydrophobicContact CG2-CG1 4Å; I45-I214 HydrophobicContact CG2-CG2 4.11Å; L184-I214 HydrophobicContact CD1-CD1 4.34Å; L184-I214 HydrophobicContact CD1-CG2 3.76Å; L184-I214 HydrophobicContact CD2-CD1 4.42Å; L184-I214 HydrophobicContact CD2-CG2 4.31Å; I188-I214 HydrophobicContact CD1-CD1 3.63Å; I188-I214 HydrophobicContact CD1-CG1 4.41Å; I188-I214 HydrophobicContact CG1-CD1 4.47Å; L212-I214 HydrophobicContact CD1-CG1 4.13Å; L212-I214 HydrophobicContact CD2-CD1 4.13Å; L212-I214 HydrophobicContact CD2-CG1 4.32Å; L212-I214 HydrophobicContact CG-CD1 4.45Å; L212-I214 HydrophobicContact CG-CG1 4.11Å; I214-M219 HydrophobicContact CB-CE 3.93Å; I214-M219 HydrophobicContact CB-SD 4.13Å; I214-M219 HydrophobicContact CD1-CE 4.44Å; I214-M219 HydrophobicContact CG2-CE 4.08Å; I214-M219 HydrophobicContact CG2-SD 3.6Å; I214-F221 WeakPolarHBondContact O-CA 3.43Å; I214-T222 PolarHBondContact N-O 3.1Å; I214-T222 PolarHBondContact O-N 3.35Å; I214-F224 HydrophobicContact CB-CE2 4.23Å; I214-F224 HydrophobicContact CD1-CD2 4.12Å; I214-F224 HydrophobicContact CD1-CE2 3.61Å; I214-F224 HydrophobicContact CD1-CZ 4.29Å; I214-F224 HydrophobicContact CG1-CD2 4.27Å; I214-F224 HydrophobicContact CG1-CE2 3.93Å
215V98.7Very high96.7Very high1 Ų142.3 Ų42.31%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-145143.5171.261.90000109.2Y43 A44 T135 C137 F221Y43-V215 CarbonylContact C-O 3.58Å; Y43-V215 VanDerWaalsContact CA-O 3.26Å; Y43-V215 WeakPolarHBondContact CA-O 3.27Å; A44-V215 HydrophobicContact CB-CG1 4.17Å; A44-V215 PolarHBondContact N-O 2.8Å; A44-V215 WeakPolarHBondContact O-CG1 3.37Å; A44-V215 PolarHBondContact O-N 3.01Å; T135-V215 HydrophobicContact CG2-CG1 4.08Å; C137-V215 HydrophobicContact CB-CG2 3.89Å; V215-F221 HydrophobicContact CB-CB 4.26Å; V215-F221 HydrophobicContact CB-CD2 3.88Å; V215-F221 HydrophobicContact CG1-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CB 4.23Å; V215-F221 HydrophobicContact CG2-CD2 4.48Å
216G97.6Very high96.6Very high6 Ų646 Ų466%0.06223%0.227CC..EExtended strand (participates in β ladder)trans-159.2-175.3178.100000111.7D42 D218 M219D42-G216 WeakPolarHBondContact O-CA 3.33Å; G216-D218 VanDerWaalsContact C-N 3.3Å; G216-D218 PolarHBondContact O-N 3.42Å; G216-M219 PolarHBondContact N-O 3.16Å; G216-M219 PolarHBondContact O-N 2.94Å
217K91.9Very high96.6Very high121 Ų12149.4 Ų49.453%0.52624%0.244SC..THydrogen-bonded Turntrans-57.4-42.8-177.6-67.5173.8-173.6152.40112.9D42D42-K217 PolarHBondContact O-N 3.26Å; D42-K217 IonicContact OD1-NZ 3.45Å; D42-K217 PolarHBondContact OD1-NZ 3.44Å
218D91Very high96.6Very high157 Ų15752 Ų5284%0.8426%0.259SS*.THydrogen-bonded Turntrans-105.212.3-178.4-56.4-51.1000112.8G216G216-D218 VanDerWaalsContact C-N 3.3Å; G216-D218 PolarHBondContact O-N 3.42Å
219M96.3Very high96.7Very high48 Ų4845.8 Ų45.824%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-137.2115.9-173.2-173.5172.5-177.900111.2Y43 I214 G216 F224Y43-M219 HydrophobicContact CE1-CB 4.4Å; I214-M219 HydrophobicContact CB-CE 3.93Å; I214-M219 HydrophobicContact CB-SD 4.13Å; I214-M219 HydrophobicContact CD1-CE 4.44Å; I214-M219 HydrophobicContact CG2-CE 4.08Å; I214-M219 HydrophobicContact CG2-SD 3.6Å; G216-M219 PolarHBondContact N-O 3.16Å; G216-M219 PolarHBondContact O-N 2.94Å; M219-F224 HydrophobicContact CE-CE2 3.88Å; M219-F224 HydrophobicContact CE-CZ 3.76Å
220K97.9Very high96.8Very high131 Ų13147.5 Ų47.557%0.5724%0.241SC*.EExtended strand (participates in β ladder)trans-60.7151.4170.4-63.8-172.3178.3-163.10110.4D68 T222D68-K220 HydrophobicContact CB-CD 4.04Å; D68-K220 HydrophobicContact CB-CG 4.28Å; D68-K220 CarbonylContact O-C 3.55Å; D68-K220 VanDerWaalsContact O-CA 3.22Å; D68-K220 WeakPolarHBondContact O-CA 3.43Å; D68-K220 WeakPolarHBondContact O-CB 3.38Å; D68-K220 WeakPolarHBondContact OD2-CE 3.48Å; D68-K220 IonicContact OD2-NZ 3.49Å; D68-K220 PolarHBondContact OD2-NZ 3.04Å; K220-T222 PolarHBondContact O-N 2.71Å; K220-T222 PolarHBondContact O-OG1 3.2Å
221F98.7Very high96.7Very high4 Ų451.3 Ų51.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-55.3107.1175-170.1-85000109.7I46 I63 Q65 D68 G71 A213 I214 V215 I223I46-F221 HydrophobicContact CD1-CE2 4.4Å; I46-F221 HydrophobicContact CD1-CZ 4.38Å; I63-F221 HydrophobicContact CG2-CE1 3.83Å; I63-F221 HydrophobicContact CG2-CZ 3.61Å; Q65-F221 HydrophobicContact CB-CD1 4.03Å; Q65-F221 HydrophobicContact CB-CE1 4.31Å; Q65-F221 HydrophobicContact CG-CD1 3.91Å; D68-F221 PolarHBondContact O-N 2.82Å; G71-F221 VanDerWaalsContact CA-CE2 3.45Å; G71-F221 VanDerWaalsContact CA-CZ 3.47Å; G71-F221 VanDerWaalsContact N-CD2 3.32Å; A213-F221 HydrophobicContact CB-CE1 3.77Å; A213-F221 HydrophobicContact CB-CE2 3.97Å; A213-F221 HydrophobicContact CB-CZ 3.34Å; I214-F221 WeakPolarHBondContact O-CA 3.43Å; V215-F221 HydrophobicContact CB-CB 4.26Å; V215-F221 HydrophobicContact CB-CD2 3.88Å; V215-F221 HydrophobicContact CG1-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CB 4.23Å; V215-F221 HydrophobicContact CG2-CD2 4.48Å; F221-I223 HydrophobicContact CD1-CG1 4.2Å; F221-I223 HydrophobicContact CE1-CD1 4.06Å; F221-I223 HydrophobicContact CE1-CG1 3.65Å
222T98.6Very high96.7Very high53 Ų5353.2 Ų53.233%0.32527%0.274SS..EExtended strand (participates in β ladder)trans-120.9132.8-174.7-54.10000108.7A213 I214 K220 F224A213-T222 CarbonylContact C-O 3.58Å; A213-T222 WeakPolarHBondContact CA-O 3.41Å; A213-T222 WeakPolarHBondContact CB-O 3.39Å; I214-T222 PolarHBondContact N-O 3.1Å; I214-T222 PolarHBondContact O-N 3.35Å; K220-T222 PolarHBondContact O-N 2.71Å; K220-T222 PolarHBondContact O-OG1 3.2Å; T222-F224 HydrophobicContact CG2-CE1 4.39Å; T222-F224 HydrophobicContact CG2-CE2 3.85Å; T222-F224 HydrophobicContact CG2-CZ 3.78Å
223I98.4Very high96.5Very high51 Ų5153.5 Ų53.526%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-103.5130.5179.7-51178000108I63 Q65 L212 A213 F221 E225I63-I223 HydrophobicContact CB-CD1 4.33Å; I63-I223 HydrophobicContact CB-CG2 4.44Å; I63-I223 HydrophobicContact CG2-CD1 3.92Å; I63-I223 HydrophobicContact CG2-CG1 4.11Å; Q65-I223 HydrophobicContact CB-CD1 4.29Å; L212-I223 CarbonylContact O-C 3.41Å; L212-I223 WeakPolarHBondContact O-CA 3.45Å; A213-I223 HydrophobicContact CB-CG1 4.17Å; F221-I223 HydrophobicContact CD1-CG1 4.2Å; F221-I223 HydrophobicContact CE1-CD1 4.06Å; F221-I223 HydrophobicContact CE1-CG1 3.65Å; I223-E225 HydrophobicContact CG2-CG 3.78Å
224F98Very high96.4Very high34 Ų3459.1 Ų59.115%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-112112.5175.5-58.5-93.2000108L212 I214 M219 T222 D228 Y232L212-F224 HydrophobicContact CB-CB 4.29Å; L212-F224 HydrophobicContact CD2-CD2 4.38Å; L212-F224 HydrophobicContact CG-CD2 4.33Å; L212-F224 PolarHBondContact N-O 3.21Å; L212-F224 PolarHBondContact O-N 3.37Å; I214-F224 HydrophobicContact CB-CE2 4.23Å; I214-F224 HydrophobicContact CD1-CD2 4.12Å; I214-F224 HydrophobicContact CD1-CE2 3.61Å; I214-F224 HydrophobicContact CD1-CZ 4.29Å; I214-F224 HydrophobicContact CG1-CD2 4.27Å; I214-F224 HydrophobicContact CG1-CE2 3.93Å; M219-F224 HydrophobicContact CE-CE2 3.88Å; M219-F224 HydrophobicContact CE-CZ 3.76Å; T222-F224 HydrophobicContact CG2-CE1 4.39Å; T222-F224 HydrophobicContact CG2-CE2 3.85Å; T222-F224 HydrophobicContact CG2-CZ 3.78Å; F224-D228 HydrophobicContact CB-CB 4.38Å; F224-D228 HydrophobicContact CD1-CB 4.24Å; F224-Y232 AromaticContact CD1-CE2 3.93Å; F224-Y232 HydrophobicContact CD1-CE2 3.93Å; F224-Y232 HydrophobicContact CE1-CE2 4.22Å; F224-Y232 HydrophobicContact CG-CE2 4.11Å
225E95.2Very high96.1Very high30 Ų3062 Ų6214%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-135.8163.1177.4-63-159.117400110.2K50 S211 I223 D227 D228K50-E225 IonicContact NZ-OE2 3.59Å; K50-E225 PolarHBondContact NZ-OE2 3.12Å; S211-E225 VanDerWaalsContact CB-OE1 3.25Å; S211-E225 WeakPolarHBondContact CB-OE1 3.49Å; S211-E225 WeakPolarHBondContact OG-CG 3.36Å; S211-E225 PolarHBondContact OG-OE1 3.46Å; I223-E225 HydrophobicContact CG2-CG 3.78Å; E225-D227 PolarHBondContact O-N 3.47Å; E225-D228 PolarHBondContact O-N 3.16Å
226D93.4Very high95.8Very high83 Ų8362.4 Ų62.444%0.44432%0.316SS..G310 helixtrans52.1-132.6179-53.8-29000109K50 I207 D228 I229K50-D226 IonicContact NZ-OD1 2.68Å; K50-D226 PolarHBondContact NZ-OD1 3.44Å; K50-D226 VanDerWaalsContact NZ-OD1 3.16Å; I207-D226 HydrophobicContact CG2-CB 4.43Å; I207-D226 WeakPolarHBondContact CG2-O 3.34Å; D226-D228 PolarHBondContact O-N 3.13Å; D226-D228 VanDerWaalsContact O-N 3.07Å; D226-I229 VanDerWaalsContact O-CG2 3.27Å; D226-I229 WeakPolarHBondContact O-CG2 3.23Å; D226-I229 PolarHBondContact O-N 3.38Å; D226-I229 VanDerWaalsContact O-N 3.16Å
227D95.4Very high95.5Very high128 Ų12867 Ų6768%0.68434%0.336SS*.G310 helixtrans-60.5-25.8-171.8-61.8-33.9000113.3E225 I229 D230E225-D227 PolarHBondContact O-N 3.47Å; D227-I229 VanDerWaalsContact C-N 3.26Å; D227-I229 PolarHBondContact O-N 2.95Å; D227-D230 WeakPolarHBondContact O-CB 3.48Å; D227-D230 PolarHBondContact O-N 3.01Å
228D96.1Very high95.4Very high107 Ų10764 Ų6457%0.57233%0.333SS*.G310 helixtrans-70.9-18.8-177.8-65.8-32000113.5F224 E225 D226F224-D228 HydrophobicContact CB-CB 4.38Å; F224-D228 HydrophobicContact CD1-CB 4.24Å; E225-D228 PolarHBondContact O-N 3.16Å; D226-D228 PolarHBondContact O-N 3.13Å; D226-D228 VanDerWaalsContact O-N 3.07Å
229I96.6Very high95.1Very high0 Ų058.8 Ų58.80%031%0.307CS..G310 helixtrans-88.8-15.7178.6-153.9175.6000113.2C210 L212 D226 D227 P231 Y232 L233C210-I229 HydrophobicContact CB-CD1 3.82Å; C210-I229 VanDerWaalsContact SG-CD1 3.51Å; L212-I229 HydrophobicContact CB-CD1 3.71Å; L212-I229 HydrophobicContact CB-CG1 4Å; D226-I229 VanDerWaalsContact O-CG2 3.27Å; D226-I229 WeakPolarHBondContact O-CG2 3.23Å; D226-I229 PolarHBondContact O-N 3.38Å; D226-I229 VanDerWaalsContact O-N 3.16Å; D227-I229 VanDerWaalsContact C-N 3.26Å; D227-I229 PolarHBondContact O-N 2.95Å; I229-P231 VanDerWaalsContact C-CD 3.44Å; I229-Y232 PolarHBondContact O-N 3.33Å; I229-Y232 VanDerWaalsContact O-N 3.09Å; I229-L233 HydrophobicContact CG1-CG 4.5Å; I229-L233 HydrophobicContact CG2-CD1 3.77Å; I229-L233 HydrophobicContact CG2-CG 4.22Å; I229-L233 PolarHBondContact O-N 3.44Å; I229-L233 VanDerWaalsContact O-N 3.12Å
230D96.8Very high94.2Very high43 Ų4360.7 Ų60.723%0.2332%0.316CS..Hα-helixtrans-54.7-41.6-173.8-176.656.4000114.1I207 D227 Y232 L233 K234I207-D230 HydrophobicContact CD1-CB 4Å; I207-D230 HydrophobicContact CG1-CB 4.12Å; D227-D230 WeakPolarHBondContact O-CB 3.48Å; D227-D230 PolarHBondContact O-N 3.01Å; D230-Y232 VanDerWaalsContact C-N 3.3Å; D230-Y232 PolarHBondContact O-N 3.03Å; D230-L233 PolarHBondContact O-N 2.92Å; D230-K234 WeakPolarHBondContact O-CG 3.29Å; D230-K234 PolarHBondContact O-N 3.11Å; D230-K234 WeakPolarHBondContact OD1-CE 3.16Å; D230-K234 IonicContact OD1-NZ 3.44Å; D230-K234 WeakPolarHBondContact OD2-CE 3.42Å; D230-K234 IonicContact OD2-NZ 3.73Å; D230-K234 PolarHBondContact OD2-NZ 3.34Å
231P96.5Very high92.6Very high80 Ų8060.4 Ų60.452%0.51932%0.324SS..Hα-helixtrans-58.9-39.6177-24.635.3000113.2I229 L235I229-P231 VanDerWaalsContact C-CD 3.44Å; P231-L235 WeakPolarHBondContact O-CB 3.41Å; P231-L235 PolarHBondContact O-N 3.2Å
232Y96.8Very high90.5Very high41 Ų4166.6 Ų66.616%0.16136%0.358CS..Hα-helixtrans-74.8-33.1-179.9-58.6-72000112.2I188 L192 L212 F224 I229 D230 F236I188-Y232 HydrophobicContact CD1-CD1 3.63Å; I188-Y232 HydrophobicContact CD1-CE1 3.45Å; I188-Y232 VanDerWaalsContact CD1-CE1 3.45Å; I188-Y232 HydrophobicContact CG2-CD1 3.96Å; I188-Y232 HydrophobicContact CG2-CG 4.22Å; L192-Y232 WeakPolarHBondContact CD1-O 3.45Å; L212-Y232 HydrophobicContact CD2-CD1 4.26Å; L212-Y232 HydrophobicContact CD2-CD2 3.58Å; L212-Y232 HydrophobicContact CD2-CE2 3.9Å; L212-Y232 HydrophobicContact CD2-CG 3.75Å; F224-Y232 AromaticContact CD1-CE2 3.93Å; F224-Y232 HydrophobicContact CD1-CE2 3.93Å; F224-Y232 HydrophobicContact CE1-CE2 4.22Å; F224-Y232 HydrophobicContact CG-CE2 4.11Å; I229-Y232 PolarHBondContact O-N 3.33Å; I229-Y232 VanDerWaalsContact O-N 3.09Å; D230-Y232 VanDerWaalsContact C-N 3.3Å; D230-Y232 PolarHBondContact O-N 3.03Å; Y232-F236 WeakPolarHBondContact O-CB 3.42Å; Y232-F236 PolarHBondContact O-N 3.25Å
233L96.2Very high87.9Confident5 Ų567 Ų673%0.02637%0.367CS..Hα-helixtrans-65.8-43.5172.9-69.9178.8000111.2L192 L205 N206 I207 C210 I229 D230 F236 E237L192-L233 HydrophobicContact CD1-CD2 4.44Å; L192-L233 HydrophobicContact CD2-CD2 4.27Å; L205-L233 HydrophobicContact CB-CD2 4.01Å; N206-L233 VanDerWaalsContact C-CD1 3.4Å; I207-L233 HydrophobicContact CG1-CD1 4.26Å; C210-L233 HydrophobicContact CB-CD2 4.32Å; I229-L233 HydrophobicContact CG1-CG 4.5Å; I229-L233 HydrophobicContact CG2-CD1 3.77Å; I229-L233 HydrophobicContact CG2-CG 4.22Å; I229-L233 PolarHBondContact O-N 3.44Å; I229-L233 VanDerWaalsContact O-N 3.12Å; D230-L233 PolarHBondContact O-N 2.92Å; L233-F236 WeakPolarHBondContact O-CB 3.06Å; L233-F236 PolarHBondContact O-N 2.99Å; L233-E237 WeakPolarHBondContact O-CG 3.29Å; L233-E237 PolarHBondContact O-N 2.94Å
234K95.5Very high84.8Confident118 Ų11870.4 Ų70.451%0.51339%0.392SS..Hα-helixtrans-62.7-42.9175.2-74.1171174.8164.80112.6D230 F236 E237 A238D230-K234 WeakPolarHBondContact O-CG 3.29Å; D230-K234 PolarHBondContact O-N 3.11Å; D230-K234 WeakPolarHBondContact OD1-CE 3.16Å; D230-K234 IonicContact OD1-NZ 3.44Å; D230-K234 WeakPolarHBondContact OD2-CE 3.42Å; D230-K234 IonicContact OD2-NZ 3.73Å; D230-K234 PolarHBondContact OD2-NZ 3.34Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.15Å; K234-E237 PolarHBondContact O-N 3.19Å; K234-A238 PolarHBondContact O-N 2.83Å
235L93.2Very high81.8Confident60 Ų6073.7 Ų73.731%0.31443%0.426SS..Hα-helixtrans-58.1-44.9173.8-177.479.5000111D185 C189 P231 T239D185-L235 HydrophobicContact CB-CD2 3.78Å; C189-L235 VanDerWaalsContact SG-CD2 3.54Å; P231-L235 WeakPolarHBondContact O-CB 3.41Å; P231-L235 PolarHBondContact O-N 3.2Å; L235-T239 PolarHBondContact O-N 3.23Å; L235-T239 VanDerWaalsContact O-N 3.15Å; L235-T239 PolarHBondContact O-OG1 3.02Å
236F92.3Very high79Confident10 Ų1076.8 Ų76.84%0.04446%0.456CS..Hα-helixtrans-62-44.7175.8157.2-101.5000112.9L192 K193 N196 L205 Y232 L233 K234 T239 Q240L192-F236 HydrophobicContact CB-CB 4.17Å; L192-F236 HydrophobicContact CB-CD2 3.62Å; L192-F236 HydrophobicContact CB-CE2 4.1Å; L192-F236 HydrophobicContact CB-CG 3.88Å; L192-F236 HydrophobicContact CD1-CB 3.63Å; L192-F236 HydrophobicContact CD1-CG 4.15Å; K193-F236 HydrophobicContact CB-CE2 4.29Å; K193-F236 HydrophobicContact CG-CD2 3.89Å; K193-F236 HydrophobicContact CG-CE2 3.62Å; N196-F236 HydrophobicContact CB-CE2 4.37Å; N196-F236 HydrophobicContact CB-CZ 3.82Å; L205-F236 HydrophobicContact CD1-CE1 4.41Å; L205-F236 HydrophobicContact CD1-CZ 4.44Å; Y232-F236 WeakPolarHBondContact O-CB 3.42Å; Y232-F236 PolarHBondContact O-N 3.25Å; L233-F236 WeakPolarHBondContact O-CB 3.06Å; L233-F236 PolarHBondContact O-N 2.99Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.15Å; F236-T239 PolarHBondContact O-N 3.33Å; F236-Q240 HydrophobicContact CD2-CG 4.49Å; F236-Q240 HydrophobicContact CE2-CG 4.09Å; F236-Q240 HydrophobicContact CZ-CG 4.25Å; F236-Q240 PolarHBondContact O-N 3.21Å
237E91.7Very high76Confident104 Ų10477.2 Ų77.249%0.48647%0.471SS..Hα-helixtrans-62.7-44.9178.2-75177178.600111.8L233 K234 T239 Q240 V241L233-E237 WeakPolarHBondContact O-CG 3.29Å; L233-E237 PolarHBondContact O-N 2.94Å; K234-E237 PolarHBondContact O-N 3.19Å; E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 2.92Å; E237-Q240 PolarHBondContact O-N 3.24Å; E237-Q240 VanDerWaalsContact O-N 3.12Å; E237-V241 PolarHBondContact O-N 3.13Å
238A88.9Confident73.3Confident56 Ų5678.3 Ų78.346%0.46348%0.476SS..Hα-helixtrans-57.6-43.317600000111.5K234 Q240 V241K234-A238 PolarHBondContact O-N 2.83Å; A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.47Å; A238-V241 PolarHBondContact O-N 3.28Å
239T84.9Confident70.4Confident48 Ų4878.5 Ų78.529%0.29448%0.483SS..Hα-helixtrans-70.2-19.3-179.5-44.10000113.2L235 F236 E237L235-T239 PolarHBondContact O-N 3.23Å; L235-T239 VanDerWaalsContact O-N 3.15Å; L235-T239 PolarHBondContact O-OG1 3.02Å; F236-T239 PolarHBondContact O-N 3.33Å; E237-T239 VanDerWaalsContact C-N 3.29Å; E237-T239 PolarHBondContact O-N 2.92Å
240Q76.9Confident67.6Low88 Ų8886.3 Ų86.341%0.41152%0.524SS..Hα-helixtrans-76.2-34.1174.4-71.6-138.4-1.800112.7F236 E237 A238 D242 A243F236-Q240 HydrophobicContact CD2-CG 4.49Å; F236-Q240 HydrophobicContact CE2-CG 4.09Å; F236-Q240 HydrophobicContact CZ-CG 4.25Å; F236-Q240 PolarHBondContact O-N 3.21Å; E237-Q240 PolarHBondContact O-N 3.24Å; E237-Q240 VanDerWaalsContact O-N 3.12Å; A238-Q240 VanDerWaalsContact C-N 3.26Å; A238-Q240 PolarHBondContact O-N 3.47Å; Q240-D242 VanDerWaalsContact C-N 3.25Å; Q240-D242 PolarHBondContact O-N 2.76Å; Q240-A243 PolarHBondContact O-N 3.33Å
241V65.3Low64.8Low125 Ų12589.5 Ų89.576%0.75855%0.55SS**Hα-helixtrans-66.6-30.5-178.3179.80000111.4E237 A238E237-V241 PolarHBondContact O-N 3.13Å; A238-V241 PolarHBondContact O-N 3.28Å
242D53.9Low61.9Low135 Ų13588 Ų8872%0.72255%0.549SS*.THydrogen-bonded Turntrans-83.3-9.2-176.7-67.1-31.4000114.6Q240 P244Q240-D242 VanDerWaalsContact C-N 3.25Å; Q240-D242 PolarHBondContact O-N 2.76Å; D242-P244 VanDerWaalsContact O-CD 3.24Å; D242-P244 WeakPolarHBondContact O-CD 3.26Å
243A44.4Very low59.3Low62 Ų6292.1 Ų92.151%0.51258%0.58SS.*SBendtrans-93.8108-178.100000111.5Q240 A245Q240-A243 PolarHBondContact O-N 3.33Å; A243-A245 PolarHBondContact O-N 3.13Å
244P32.9Very low56.5Low121 Ų12198.3 Ų98.379%0.78662%0.619SS**  trans-62.6133.1170.424.8-31.8000109.5D242 A246D242-P244 VanDerWaalsContact O-CD 3.24Å; D242-P244 WeakPolarHBondContact O-CD 3.26Å; P244-A246 PolarHBondContact O-N 3.11Å
245A33.9Very low53.7Low104 Ų10498.4 Ų98.486%0.8663%0.632SS**  trans-48.9104.1-178.200000110.7A243 A247A243-A245 PolarHBondContact O-N 3.13Å; A245-A247 PolarHBondContact O-N 2.69Å
246A36.5Very low51.2Low94 Ų94104.1 Ų104.178%0.77766%0.659SS**  trans-62.3111.7178.400000108.6P244 I248P244-A246 PolarHBondContact O-N 3.11Å; A246-I248 PolarHBondContact O-N 2.64Å
247A31.9Very low48.7Very low92 Ų92112.6 Ų112.676%0.7670%0.698SS**PPolyproline II helixtrans-55.8124.8174.100000109.2A245 P249A245-A247 PolarHBondContact O-N 2.69Å; A247-P249 VanDerWaalsContact O-CD 3.29Å; A247-P249 WeakPolarHBondContact O-CD 3.46Å
248I37.1Very low46.2Very low152 Ų152116.2 Ų116.278%0.77972%0.715SS**PPolyproline II helixtrans-62118.7176.7-58.7169.2000107.2A246 D250A246-I248 PolarHBondContact O-N 2.64Å; I248-D250 PolarHBondContact O-N 3.44Å
249P35.9Very low44Very low111 Ų111121.5 Ų121.572%0.72174%0.736SS**PPolyproline II helixtrans-69.2120.5171.1-10.926.5000107.8A247 S251A247-P249 VanDerWaalsContact O-CD 3.29Å; A247-P249 WeakPolarHBondContact O-CD 3.46Å; P249-S251 PolarHBondContact O-N 3.28Å
250D37.3Very low42Very low163 Ų163128 Ų12887%0.87276%0.763SS**  trans-70.676.6176.3-161.216.1000109.4I248 G252I248-D250 PolarHBondContact O-N 3.44Å; D250-G252 PolarHBondContact O-N 3.39Å
251S39.6Very low40.1Very low111 Ų111129.3 Ų129.378%0.77678%0.782SS**  trans-8786.8167.764.50000107.9P249P249-S251 PolarHBondContact O-N 3.28Å
252G35.6Very low39.1Very low47 Ų47128.1 Ų128.149%0.48579%0.785SS.*PPolyproline II helixtrans-54.1152.3170.800000112D250 T254D250-G252 PolarHBondContact O-N 3.39Å; G252-T254 PolarHBondContact O-N 3.44Å
253P40.3Very low38.4Very low128 Ų128133.6 Ų133.683%0.83181%0.813SS**PPolyproline II helixtrans-70.3121.5-172.826.7-32.1000111.3P255P253-P255 WeakPolarHBondContact O-CD 3.37Å
254T37.7Very low38.1Very low136 Ų136137.2 Ų137.283%0.83483%0.828SS**PPolyproline II helixtrans-68.3119.9168-280000108.8G252 M256G252-T254 PolarHBondContact O-N 3.44Å; T254-M256 PolarHBondContact O-N 3.4Å
255P38.1Very low38.4Very low120 Ų120138 Ų13878%0.77983%0.83SS**PPolyproline II helixtrans-66.3133.6-178-19.331.8000111.7P253 E257P253-P255 WeakPolarHBondContact O-CD 3.37Å; P255-E257 PolarHBondContact O-N 3.31Å
256M40.2Very low38.6Very low179 Ų179139.9 Ų139.988%0.88283%0.829SS**PPolyproline II helixtrans-66.4119.8174.5-123178.774.400109.8T254 Q258T254-M256 PolarHBondContact O-N 3.4Å; M256-Q258 PolarHBondContact O-N 2.91Å
257E39.3Very low38.8Very low188 Ų188142.6 Ų142.688%0.87983%0.832SS**PPolyproline II helixtrans-60.4122.2169.8-125.7171.9174.200108.8P255 D259P255-E257 PolarHBondContact O-N 3.31Å; E257-D259 PolarHBondContact O-N 2.56Å
258Q38.5Very low39.2Very low180 Ų180145.8 Ų145.884%0.84184%0.836SS**  trans-73.3109178.2-72.1179.3-1000108.6M256 Q260M256-Q258 PolarHBondContact O-N 2.91Å; Q258-Q260 PolarHBondContact O-N 2.95Å; Q258-Q260 VanDerWaalsContact O-N 3.13Å
259D44.8Very low39.3Very low168 Ų168145.3 Ų145.390%0.89884%0.84SS**  trans-56.5117.2171.8-110.5-22.1000109.4E257E257-D259 PolarHBondContact O-N 2.56Å
260Q41Very low39.6Very low183 Ų183147.8 Ų147.886%0.85585%0.849SS**  trans-68.2135.6-177.5-67.8-179.3200110.3Q258 A262Q258-Q260 PolarHBondContact O-N 2.95Å; Q258-Q260 VanDerWaalsContact O-N 3.13Å; Q260-A262 PolarHBondContact O-N 3.34Å
261S38.3Very low39.7Very low116 Ų116146.6 Ų146.681%0.81185%0.847SS**  trans-40.8116.5170.9510000113.2
262A43.6Very low39.7Very low101 Ų101149.6 Ų149.684%0.83585%0.853SS**  trans-85.6124.9158.200000108.7Q260Q260-A262 PolarHBondContact O-N 3.34Å
263L39.5Very low40.1Very low249 Ų249158.9 Ų158.9100%1.30489%0.886SS**  trans-39.40-179-67155.3000116

Retrieved 263 of 263 residues in 557.7 ms (Link to these results)

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